| 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 | 35.1 | Very low | 35.2 | Very low | 247 Ų | 247 | 173.9 Ų | 173.9 | 100% | 1.217 | 86% | 0.856 | S | S | * | * | 0 | 122.8 | 0 | -84.1 | 174.1 | 177.2 | 0 | 0 | 108.4 | |||||
| 2 | A | 37.8 | Very low | 35 | Very low | 94 Ų | 94 | 169.5 Ų | 169.5 | 78% | 0.777 | 85% | 0.853 | S | S | * | * | trans | 48.5 | 106.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | L4 | A2-L4 PolarHBondContact O-N 3.49Š| ||
| 3 | F | 35.4 | Very low | 35.1 | Very low | 201 Ų | 201 | 164.8 Ų | 164.8 | 88% | 0.882 | 84% | 0.844 | S | S | * | * | trans | -54.6 | 122.3 | 159.3 | -92.3 | -105.5 | 0 | 0 | 0 | 111.7 | R5 | F3-R5 PolarHBondContact O-N 3.27Š| ||
| 4 | L | 35.7 | Very low | 35.2 | Very low | 148 Ų | 148 | 160.5 Ų | 160.5 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | -70.3 | 108.6 | 162.2 | -91.3 | 83.7 | 0 | 0 | 0 | 109.5 | A2 L6 | A2-L4 PolarHBondContact O-N 3.49Å; L4-L6 HydrophobicContact CD2-CD1 3.86Å; L4-L6 HydrophobicContact CG-CD1 4.43Å | ||
| 5 | R | 37.7 | Very low | 35.2 | Very low | 214 Ų | 214 | 165.6 Ų | 165.6 | 81% | 0.808 | 84% | 0.839 | S | S | * | * | trans | -123 | 94.5 | 150 | -80 | -169.6 | 176.7 | -172.9 | -0.1 | 107.4 | F3 F7 | F3-R5 PolarHBondContact O-N 3.27Å; R5-F7 PolarHBondContact O-N 3.16Å; R5-F7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | L | 34.5 | Very low | 35.2 | Very low | 156 Ų | 156 | 162.8 Ų | 162.8 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | trans | -64.7 | 100.5 | 165.8 | -87.5 | 96 | 0 | 0 | 0 | 108.1 | L4 | L4-L6 HydrophobicContact CD2-CD1 3.86Å; L4-L6 HydrophobicContact CG-CD1 4.43Å | ||
| 7 | F | 35.2 | Very low | 35.4 | Very low | 182 Ų | 182 | 158.6 Ų | 158.6 | 80% | 0.798 | 83% | 0.828 | S | S | * | * | trans | -79.9 | 118.6 | 156.2 | -97.2 | -91.9 | 0 | 0 | 0 | 107.8 | R5 L9 | R5-F7 PolarHBondContact O-N 3.16Å; R5-F7 VanDerWaalsContact O-N 3.07Å; F7-L9 PolarHBondContact O-N 3.01Å | ||
| 8 | T | 35.3 | Very low | 35.5 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -55 | 123.9 | 169.6 | 15.2 | 0 | 0 | 0 | 0 | 110 | L10 | T8-L10 PolarHBondContact O-N 3.03Š| ||
| 9 | L | 30.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -58.8 | 93.7 | 171.3 | -76.3 | 115.8 | 0 | 0 | 0 | 110.4 | F7 | F7-L9 PolarHBondContact O-N 3.01Š| ||
| 10 | L | 34.3 | Very low | 37.7 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -76 | 116.6 | 152.6 | -93.6 | 136.7 | 0 | 0 | 0 | 106.7 | T8 C12 | T8-L10 PolarHBondContact O-N 3.03Å; L10-C12 VanDerWaalsContact C-N 3.26Å; L10-C12 PolarHBondContact O-N 2.86Å | ||
| 11 | Y | 35.3 | Very low | 39.5 | Very low | 218 Ų | 218 | 150 Ų | 150 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -52.8 | 90.4 | 169.6 | -85.9 | -100 | 0 | 0 | 0 | 109.5 | C13 | Y11-C13 PolarHBondContact O-N 2.8Š| ||
| 12 | C | 33.8 | Very low | 42 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 91.3 | 152.6 | -95.2 | 0 | 0 | 0 | 0 | 105.6 | L10 S14 | L10-C12 VanDerWaalsContact C-N 3.26Å; L10-C12 PolarHBondContact O-N 2.86Å; C12-S14 PolarHBondContact O-N 3.37Å | ||
| 13 | C | 35.7 | Very low | 44.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -55 | 96.3 | 146.9 | -80.3 | 0 | 0 | 0 | 0 | 105.4 | Y11 R15 | Y11-C13 PolarHBondContact O-N 2.8Å; C13-R15 PolarHBondContact O-N 3.42Å | ||
| 14 | S | 36.2 | Very low | 47.2 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -54.6 | 91.8 | 158.4 | 28.3 | 0 | 0 | 0 | 0 | 105.9 | C12 V16 | C12-S14 PolarHBondContact O-N 3.37Å; S14-V16 PolarHBondContact O-N 3.23Å | ||
| 15 | R | 35.7 | Very low | 50 | Low | 237 Ų | 237 | 121 Ų | 121 | 89% | 0.894 | 64% | 0.635 | S | S | * | * | trans | -56.5 | 96 | 153.6 | -78.6 | -173.5 | 177.7 | -174.3 | -0.2 | 103.9 | C13 A17 | C13-R15 PolarHBondContact O-N 3.42Å; R15-A17 VanDerWaalsContact C-N 3.3Å; R15-A17 PolarHBondContact O-N 3.49Å | ||
| 16 | V | 34.9 | Very low | 52.7 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -46.4 | 111.4 | 149.9 | 176.1 | 0 | 0 | 0 | 0 | 103.2 | S14 T18 | S14-V16 PolarHBondContact O-N 3.23Å; V16-T18 PolarHBondContact O-N 3.48Å | ||
| 17 | A | 38.6 | Very low | 55.5 | Low | 92 Ų | 92 | 103.7 Ų | 103.7 | 76% | 0.76 | 56% | 0.559 | S | S | * | * | trans | -61.6 | 88.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | R15 A19 | R15-A17 VanDerWaalsContact C-N 3.3Å; R15-A17 PolarHBondContact O-N 3.49Å; A17-A19 PolarHBondContact O-N 3.22Å; A17-A19 VanDerWaalsContact O-N 3.17Å | ||
| 18 | T | 38.1 | Very low | 58.2 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | trans | -53.8 | 119.3 | 158.3 | 45.7 | 0 | 0 | 0 | 0 | 104.2 | V16 E20 | V16-T18 PolarHBondContact O-N 3.48Å; T18-E20 PolarHBondContact O-N 3.31Å | ||
| 19 | A | 51.5 | Low | 60.8 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 76% | 0.76 | 49% | 0.493 | S | S | * | . | trans | -43.7 | 116.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | A17 R21 | A17-A19 PolarHBondContact O-N 3.22Å; A17-A19 VanDerWaalsContact O-N 3.17Å; A19-R21 PolarHBondContact O-N 3.04Å | ||
| 20 | E | 63.7 | Low | 63.3 | Low | 146 Ų | 146 | 86.3 Ų | 86.3 | 68% | 0.682 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 127.7 | 179.7 | -76.7 | -178.7 | 160.9 | 0 | 0 | 107 | T18 I22 | T18-E20 PolarHBondContact O-N 3.31Å; E20-I22 PolarHBondContact O-N 3.11Å |
| 21 | R | 75.3 | Confident | 65.7 | Low | 101 Ų | 101 | 85 Ų | 85 | 38% | 0.381 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -55 | 139.9 | 178.4 | 180 | 176.6 | 169.8 | -160.6 | -12.7 | 108.9 | A19 R23 E45 D59 | A19-R21 PolarHBondContact O-N 3.04Å; R21-R23 WeakPolarHBondContact O-CG 3.33Å; R21-R23 PolarHBondContact O-N 3Å; R21-E45 IonicContact CZ-OE1 3.39Å; R21-E45 IonicContact NH1-OE1 2.63Å; R21-E45 PolarHBondContact NH1-OE1 3.2Å; R21-E45 IonicContact NH2-OE1 3.66Å; R21-D59 HydrophobicContact CG-CB 4.28Å |
| 22 | I | 86.3 | Confident | 68.3 | Low | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.092 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 131.4 | 178.5 | -66.1 | 156.8 | 0 | 0 | 0 | 108.8 | E20 I24 D59 L187 I282 | E20-I22 PolarHBondContact O-N 3.11Å; I22-I24 HydrophobicContact CG2-CD1 4.02Å; I22-I24 HydrophobicContact CG2-CG1 3.85Å; I22-D59 PolarHBondContact N-OD2 3Å; I22-L187 HydrophobicContact CD1-CD2 4.06Å; I22-L187 HydrophobicContact CG1-CD2 4.43Å; I22-L187 HydrophobicContact CG2-CD2 3.66Å; I22-I282 HydrophobicContact CG2-CD1 4.11Å |
| 23 | R | 90.5 | Very high | 71.2 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | trans | -117.8 | 77.2 | -173.3 | -60.4 | -179.4 | 68.8 | 74.2 | 16.1 | 111.3 | R21 E45 P53 L56 W225 Q277 | R21-R23 WeakPolarHBondContact O-CG 3.33Å; R21-R23 PolarHBondContact O-N 3Å; R23-E45 IonicContact NH1-OE2 3.53Å; R23-E45 PolarHBondContact NH1-OE2 3.38Å; R23-P53 PolarHBondContact NH2-O 3.42Å; R23-L56 HydrophobicContact CB-CD2 4.07Å; R23-L56 HydrophobicContact CG-CD1 4.4Å; R23-L56 VanDerWaalsContact NH2-CD1 3.35Å; R23-W225 HydrophobicContact CB-CH2 3.66Å; R23-W225 HydrophobicContact CB-CZ2 4.12Å; R23-W225 WeakPolarHBondContact O-CH2 3.44Å; R23-W225 WeakPolarHBondContact O-CZ3 3.32Å; R23-Q277 PolarHBondContact O-OE1 3.04Å | ||
| 24 | I | 93.4 | Very high | 74.1 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | trans | -89.8 | 125.4 | 173.6 | -52.5 | -52.7 | 0 | 0 | 0 | 109.6 | I22 C26 L56 F57 P188 I282 | I22-I24 HydrophobicContact CG2-CD1 4.02Å; I22-I24 HydrophobicContact CG2-CG1 3.85Å; I24-C26 PolarHBondContact O-N 2.85Å; I24-L56 WeakPolarHBondContact O-CA 3.36Å; I24-F57 HydrophobicContact CB-CD2 4.03Å; I24-F57 HydrophobicContact CG2-CD2 3.82Å; I24-F57 HydrophobicContact CG2-CE2 4.14Å; I24-F57 WeakPolarHBondContact O-CD2 3.35Å; I24-F57 PolarHBondContact O-N 2.83Å; I24-P188 HydrophobicContact CB-CG 4.25Å; I24-P188 HydrophobicContact CG1-CG 4.1Å; I24-I282 HydrophobicContact CD1-CD1 4.46Å; I24-I282 HydrophobicContact CD1-CG2 3.93Å | ||
| 25 | D | 94.1 | Very high | 76.9 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 126.1 | 177.8 | -170.3 | 4.8 | 0 | 0 | 0 | 111.7 | H27 P28 P53 C55 F57 Q198 R286 | D25-H27 VanDerWaalsContact OD1-C 3.23Å; D25-H27 WeakPolarHBondContact OD1-CA 3.25Å; D25-H27 PolarHBondContact OD1-N 2.87Å; D25-P28 WeakPolarHBondContact OD2-CA 3.43Å; D25-P53 HydrophobicContact CB-CB 3.54Å; D25-P53 HydrophobicContact CB-CG 3.86Å; D25-P53 VanDerWaalsContact CG-CB 3.41Å; D25-C55 WeakPolarHBondContact CA-O 3.31Å; D25-C55 VanDerWaalsContact OD1-O 3.12Å; D25-F57 VanDerWaalsContact O-CE2 3.23Å; D25-F57 WeakPolarHBondContact O-CE2 3.3Å; D25-Q198 PolarHBondContact O-NE2 2.85Å; D25-R286 IonicContact OD2-NH2 3.38Å |
| 26 | C | 94 | Very high | 79.5 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -99.6 | -7.1 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | I24 R40 C42 C55 F57 | I24-C26 PolarHBondContact O-N 2.85Å; C26-R40 WeakPolarHBondContact O-CD 3.36Å; C26-R40 PolarHBondContact O-NH1 3.44Å; C26-C42 HydrophobicContact CB-CB 3.57Å; C26-C42 WeakPolarHBondContact CB-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2Å; C26-C42 PolarHBondContact SG-SG 2.84Å; C26-C55 PolarHBondContact N-O 2.82Å; C26-F57 HydrophobicContact CB-CD1 4.15Å; C26-F57 HydrophobicContact CB-CD2 3.78Å; C26-F57 HydrophobicContact CB-CE1 4.1Å; C26-F57 HydrophobicContact CB-CE2 3.71Å; C26-F57 HydrophobicContact CB-CG 4Å; C26-F57 HydrophobicContact CB-CZ 3.89Å |
| 27 | H | 93.8 | Very high | 82.4 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | trans | -132.5 | 67.5 | 175.9 | -161.9 | -57.7 | 0 | 0 | 0 | 113.7 | D25 D29 A32 R36 R40 C55 | D25-H27 VanDerWaalsContact OD1-C 3.23Å; D25-H27 WeakPolarHBondContact OD1-CA 3.25Å; D25-H27 PolarHBondContact OD1-N 2.87Å; H27-D29 VanDerWaalsContact C-N 3.31Å; H27-D29 PolarHBondContact CE1-O 2.75Å; H27-D29 IonicContact CE1-OD1 3.72Å; H27-D29 PolarHBondContact CE1-OD1 2.85Å; H27-D29 IonicContact CE1-OD2 3.02Å; H27-D29 PolarHBondContact CE1-OD2 3.46Å; H27-D29 IonicContact CG-OD1 3.11Å; H27-D29 PolarHBondContact ND1-O 3.36Å; H27-D29 VanDerWaalsContact ND1-O 3.1Å; H27-D29 IonicContact ND1-OD1 3.59Å; H27-D29 PolarHBondContact ND1-OD1 2.84Å; H27-D29 IonicContact ND1-OD2 2.8Å; H27-D29 IonicContact NE2-OD1 2.79Å; H27-D29 IonicContact NE2-OD2 2.81Å; H27-D29 PolarHBondContact O-N 2.83Å; H27-A32 HydrophobicContact CB-CB 4.07Å; H27-R36 VanDerWaalsContact CE1-CZ 3.47Å; H27-R36 PolarHBondContact CE1-NH1 3.24Å; H27-R36 PolarHBondContact NE2-NE 3.15Å; H27-R36 PolarHBondContact NE2-NH2 2.78Å; H27-R40 VanDerWaalsContact CD2-CZ 3.5Å; H27-R40 PolarHBondContact CD2-NH1 3.1Å; H27-C55 HydrophobicContact CB-CB 3.6Å | ||
| 28 | P | 92.3 | Very high | 84.9 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -76.2 | -12.9 | -175.3 | 32.6 | -38 | 0 | 0 | 0 | 115.2 | D25 F196 R286 Y499 | D25-P28 WeakPolarHBondContact OD2-CA 3.43Å; P28-F196 HydrophobicContact CG-CE2 4.2Å; P28-F196 HydrophobicContact CG-CZ 4.12Å; P28-R286 VanDerWaalsContact CB-NE 3.25Å; P28-Y499 HydrophobicContact CB-CE2 3.93Å; P28-Y499 HydrophobicContact CG-CD2 4.41Å; P28-Y499 HydrophobicContact CG-CE2 3.78Å | ||
| 29 | D | 88.2 | Confident | 87.4 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -76.4 | 159.2 | 171.7 | 59.4 | -58.3 | 0 | 0 | 0 | 112 | H27 R36 R40 F99 Y499 | H27-D29 VanDerWaalsContact C-N 3.31Å; H27-D29 PolarHBondContact CE1-O 2.75Å; H27-D29 IonicContact CE1-OD1 3.72Å; H27-D29 PolarHBondContact CE1-OD1 2.85Å; H27-D29 IonicContact CE1-OD2 3.02Å; H27-D29 PolarHBondContact CE1-OD2 3.46Å; H27-D29 IonicContact CG-OD1 3.11Å; H27-D29 PolarHBondContact ND1-O 3.36Å; H27-D29 VanDerWaalsContact ND1-O 3.1Å; H27-D29 IonicContact ND1-OD1 3.59Å; H27-D29 PolarHBondContact ND1-OD1 2.84Å; H27-D29 IonicContact ND1-OD2 2.8Å; H27-D29 IonicContact NE2-OD1 2.79Å; H27-D29 IonicContact NE2-OD2 2.81Å; H27-D29 PolarHBondContact O-N 2.83Å; D29-R36 IonicContact OD2-CZ 2.68Å; D29-R36 IonicContact OD2-NH1 3.89Å; D29-R36 IonicContact OD2-NH2 2.73Å; D29-R36 PolarHBondContact OD2-NH2 3.21Å; D29-R40 IonicContact OD1-CZ 3.83Å; D29-R40 VanDerWaalsContact OD1-CZ 3.24Å; D29-R40 IonicContact OD1-NH1 3.92Å; D29-R40 PolarHBondContact OD1-NH1 2.79Å; D29-R40 IonicContact OD1-NH2 3.68Å; D29-R40 PolarHBondContact OD1-NH2 3.41Å; D29-R40 IonicContact OD2-NH2 2.66Å; D29-R40 PolarHBondContact OD2-NH2 3.14Å; D29-F99 HydrophobicContact CB-CE1 4.2Å; D29-F99 HydrophobicContact CB-CZ 4.01Å; D29-F99 WeakPolarHBondContact OD1-CZ 3.22Å; D29-Y499 HydrophobicContact CB-CD2 4.22Å; D29-Y499 HydrophobicContact CB-CE2 4.46Å |
| 30 | L | 83.2 | Confident | 89.2 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 40% | 0.398 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -57.7 | 153.1 | -177.9 | -59.8 | 174.9 | 0 | 0 | 0 | 112.2 | R36 | L30-R36 PolarHBondContact O-NH1 2.85Š|
| 31 | N | 85 | Confident | 90.3 | Very high | 133 Ų | 133 | 52.2 Ų | 52.2 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 62.7 | 49.2 | 174.6 | -52.2 | -40.6 | 0 | 0 | 0 | 114.2 | T33 R36 | N31-T33 PolarHBondContact O-N 2.81Å; N31-R36 PolarHBondContact O-NH1 2.8Å |
| 32 | A | 90.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | trans | -60.6 | 132.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | H27 W44 | H27-A32 HydrophobicContact CB-CB 4.07Å; A32-W44 HydrophobicContact CB-CH2 4.36Å; A32-W44 HydrophobicContact CB-CZ3 4.04Å; A32-W44 WeakPolarHBondContact O-CH2 3.25Å | ||
| 33 | T | 94.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | trans | -131.9 | 159.2 | 174.9 | 70 | 0 | 0 | 0 | 0 | 109.7 | N31 E35 R36 C37 W44 | N31-T33 PolarHBondContact O-N 2.81Å; T33-E35 PolarHBondContact O-N 2.84Å; T33-R36 PolarHBondContact O-N 2.83Å; T33-R36 WeakPolarHBondContact OG1-CG 3.39Å; T33-R36 PolarHBondContact OG1-N 3Å; T33-R36 VanDerWaalsContact OG1-N 3.17Å; T33-C37 VanDerWaalsContact O-CB 3.29Å; T33-C37 WeakPolarHBondContact O-CB 3.4Å; T33-C37 PolarHBondContact O-N 3Å; T33-W44 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 34 | P | 95.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 51 Ų | 51 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.5 | -39.8 | 176.2 | -20.8 | 27.4 | 0 | 0 | 0 | 112.7 | C37 A38 W44 | P34-C37 PolarHBondContact O-N 3.11Å; P34-A38 WeakPolarHBondContact O-CB 3.27Å; P34-A38 PolarHBondContact O-N 3Å; P34-W44 HydrophobicContact CB-CB 4.43Å; P34-W44 HydrophobicContact CB-CD2 4.02Å; P34-W44 HydrophobicContact CB-CG 3.95Å; P34-W44 HydrophobicContact CG-CD2 3.94Å; P34-W44 HydrophobicContact CG-CG 4.17Å; P34-W44 HydrophobicContact CG-CZ2 3.82Å |
| 35 | E | 94.9 | Very high | 91.6 | Very high | 142 Ų | 142 | 53.4 Ų | 53.4 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.8 | -50.2 | 179 | -175.7 | -175.8 | 175.8 | 0 | 0 | 112.1 | T33 C37 A38 N39 | T33-E35 PolarHBondContact O-N 2.84Å; E35-C37 PolarHBondContact O-N 2.65Å; E35-A38 PolarHBondContact O-N 3.22Å; E35-N39 WeakPolarHBondContact O-CB 3.28Å; E35-N39 PolarHBondContact O-N 2.85Å; E35-N39 PolarHBondContact O-ND2 3.2Å |
| 36 | R | 92.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 177.7 | -68.3 | 179.2 | 76.7 | -160.3 | -2.9 | 111.3 | H27 D29 L30 N31 T33 N39 R40 | H27-R36 VanDerWaalsContact CE1-CZ 3.47Å; H27-R36 PolarHBondContact CE1-NH1 3.24Å; H27-R36 PolarHBondContact NE2-NE 3.15Å; H27-R36 PolarHBondContact NE2-NH2 2.78Å; D29-R36 IonicContact OD2-CZ 2.68Å; D29-R36 IonicContact OD2-NH1 3.89Å; D29-R36 IonicContact OD2-NH2 2.73Å; D29-R36 PolarHBondContact OD2-NH2 3.21Å; L30-R36 PolarHBondContact O-NH1 2.85Å; N31-R36 PolarHBondContact O-NH1 2.8Å; T33-R36 PolarHBondContact O-N 2.83Å; T33-R36 WeakPolarHBondContact OG1-CG 3.39Å; T33-R36 PolarHBondContact OG1-N 3Å; T33-R36 VanDerWaalsContact OG1-N 3.17Å; R36-N39 PolarHBondContact O-N 3.2Å; R36-R40 PolarHBondContact O-N 3.39Å |
| 37 | C | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 174.5 | -172 | 0 | 0 | 0 | 0 | 112.2 | T33 P34 E35 N39 R40 C42 W44 C55 | T33-C37 VanDerWaalsContact O-CB 3.29Å; T33-C37 WeakPolarHBondContact O-CB 3.4Å; T33-C37 PolarHBondContact O-N 3Å; P34-C37 PolarHBondContact O-N 3.11Å; E35-C37 PolarHBondContact O-N 2.65Å; C37-N39 VanDerWaalsContact C-N 3.28Å; C37-N39 PolarHBondContact O-N 3.06Å; C37-R40 PolarHBondContact O-N 2.94Å; C37-C42 WeakPolarHBondContact O-CB 3.3Å; C37-C42 PolarHBondContact O-N 3.46Å; C37-C42 VanDerWaalsContact O-N 3.16Å; C37-W44 HydrophobicContact CB-CE3 3.67Å; C37-W44 HydrophobicContact CB-CZ3 4.3Å; C37-C55 WeakPolarHBondContact CA-SG 3.47Å; C37-C55 HydrophobicContact CB-CB 3.68Å; C37-C55 WeakPolarHBondContact CB-SG 3.28Å; C37-C55 WeakPolarHBondContact SG-CA 3.33Å; C37-C55 WeakPolarHBondContact SG-CB 3.48Å; C37-C55 CovalentContact SG-SG 2.03Å; C37-C55 PolarHBondContact SG-SG 2.82Å |
| 38 | A | 92 | Very high | 90.8 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P34 E35 R40 G41 | P34-A38 WeakPolarHBondContact O-CB 3.27Å; P34-A38 PolarHBondContact O-N 3Å; E35-A38 PolarHBondContact O-N 3.22Å; A38-R40 PolarHBondContact O-N 2.99Å; A38-G41 WeakPolarHBondContact O-CA 3.32Å; A38-G41 PolarHBondContact O-N 2.96Å |
| 39 | N | 89.9 | Confident | 90.7 | Very high | 119 Ų | 119 | 74.9 Ų | 74.9 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.5 | -24.5 | 176.2 | -71.4 | -18.7 | 0 | 0 | 0 | 113.4 | E35 R36 C37 G41 | E35-N39 WeakPolarHBondContact O-CB 3.28Å; E35-N39 PolarHBondContact O-N 2.85Å; E35-N39 PolarHBondContact O-ND2 3.2Å; R36-N39 PolarHBondContact O-N 3.2Å; C37-N39 VanDerWaalsContact C-N 3.28Å; C37-N39 PolarHBondContact O-N 3.06Å; N39-G41 VanDerWaalsContact C-N 3.31Å |
| 40 | R | 89.4 | Confident | 90.8 | Very high | 29 Ų | 29 | 78.5 Ų | 78.5 | 11% | 0.109 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.9 | 172.5 | -68.3 | -177.9 | 174.4 | 164.5 | 11.9 | 113.5 | C26 H27 D29 R36 C37 A38 C42 I98 | C26-R40 WeakPolarHBondContact O-CD 3.36Å; C26-R40 PolarHBondContact O-NH1 3.44Å; H27-R40 VanDerWaalsContact CD2-CZ 3.5Å; H27-R40 PolarHBondContact CD2-NH1 3.1Å; D29-R40 IonicContact OD1-CZ 3.83Å; D29-R40 VanDerWaalsContact OD1-CZ 3.24Å; D29-R40 IonicContact OD1-NH1 3.92Å; D29-R40 PolarHBondContact OD1-NH1 2.79Å; D29-R40 IonicContact OD1-NH2 3.68Å; D29-R40 PolarHBondContact OD1-NH2 3.41Å; D29-R40 IonicContact OD2-NH2 2.66Å; D29-R40 PolarHBondContact OD2-NH2 3.14Å; R36-R40 PolarHBondContact O-N 3.39Å; C37-R40 PolarHBondContact O-N 2.94Å; A38-R40 PolarHBondContact O-N 2.99Å; R40-C42 VanDerWaalsContact C-N 3.32Å; R40-I98 PolarHBondContact NE-O 2.88Å |
| 41 | G | 87.3 | Confident | 91.1 | Very high | 55 Ų | 55 | 80.1 Ų | 80.1 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 26.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A38 N39 | A38-G41 WeakPolarHBondContact O-CA 3.32Å; A38-G41 PolarHBondContact O-N 2.96Å; N39-G41 VanDerWaalsContact C-N 3.31Å |
| 42 | C | 92.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 10% | 0.101 | 40% | 0.401 | C | S | . | . | trans | -111.5 | 165.5 | -172.8 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | C26 C37 R40 C55 L56 | C26-C42 HydrophobicContact CB-CB 3.57Å; C26-C42 WeakPolarHBondContact CB-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2Å; C26-C42 PolarHBondContact SG-SG 2.84Å; C37-C42 WeakPolarHBondContact O-CB 3.3Å; C37-C42 PolarHBondContact O-N 3.46Å; C37-C42 VanDerWaalsContact O-N 3.16Å; R40-C42 VanDerWaalsContact C-N 3.32Å; C42-C55 VanDerWaalsContact CB-SG 3.55Å; C42-L56 VanDerWaalsContact CB-O 3.23Å; C42-L56 WeakPolarHBondContact CB-O 3.4Å | ||
| 43 | I | 92.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 72.8 Ų | 72.8 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.7 | -172.6 | -57.8 | 171 | 0 | 0 | 0 | 108.6 | E45 L56 E58 | I43-E45 HydrophobicContact CG2-CG 3.93Å; I43-L56 PolarHBondContact N-O 2.83Å; I43-L56 PolarHBondContact O-N 2.87Å; I43-E58 HydrophobicContact CD1-CB 3.9Å; I43-E58 HydrophobicContact CD1-CG 3.99Å |
| 44 | W | 95.2 | Very high | 91.7 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 25% | 0.25 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.2 | 175.2 | -173.5 | -93.7 | 0 | 0 | 0 | 111.1 | A32 T33 P34 C37 W54 C55 | A32-W44 HydrophobicContact CB-CH2 4.36Å; A32-W44 HydrophobicContact CB-CZ3 4.04Å; A32-W44 WeakPolarHBondContact O-CH2 3.25Å; T33-W44 WeakPolarHBondContact O-CZ3 3.33Å; P34-W44 HydrophobicContact CB-CB 4.43Å; P34-W44 HydrophobicContact CB-CD2 4.02Å; P34-W44 HydrophobicContact CB-CG 3.95Å; P34-W44 HydrophobicContact CG-CD2 3.94Å; P34-W44 HydrophobicContact CG-CG 4.17Å; P34-W44 HydrophobicContact CG-CZ2 3.82Å; C37-W44 HydrophobicContact CB-CE3 3.67Å; C37-W44 HydrophobicContact CB-CZ3 4.3Å; W44-W54 CarbonylContact C-O 3.53Å; W44-W54 WeakPolarHBondContact CA-O 3.34Å; W44-W54 HydrophobicContact CD2-CB 4.26Å; W44-W54 AromaticContact CE2-CE3 3.73Å; W44-W54 HydrophobicContact CE3-CB 4.15Å; W44-W54 HydrophobicContact CH2-CB 3.95Å; W44-W54 AromaticContact CH2-CE3 3.99Å; W44-W54 HydrophobicContact CH2-CE3 3.99Å; W44-W54 HydrophobicContact CZ2-CB 4.07Å; W44-W54 HydrophobicContact CZ2-CD2 4.17Å; W44-W54 AromaticContact CZ2-CE3 3.26Å; W44-W54 HydrophobicContact CZ2-CE3 3.26Å; W44-W54 AromaticContact CZ2-CZ3 3.96Å; W44-W54 HydrophobicContact CZ2-CZ3 3.96Å; W44-W54 HydrophobicContact CZ3-CB 3.98Å; W44-W54 AromaticContact NE1-CE3 3.94Å; W44-C55 HydrophobicContact CE3-CB 4.07Å; W44-C55 HydrophobicContact CZ3-CB 4.23Å |
| 45 | E | 93.3 | Very high | 91.6 | Very high | 51 Ų | 51 | 72 Ų | 72 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | trans | -133.5 | 112.2 | 178.7 | -63.9 | -177.6 | -173.1 | 0 | 0 | 110.1 | R21 R23 I43 Q47 W54 L56 | R21-E45 IonicContact CZ-OE1 3.39Å; R21-E45 IonicContact NH1-OE1 2.63Å; R21-E45 PolarHBondContact NH1-OE1 3.2Å; R21-E45 IonicContact NH2-OE1 3.66Å; R23-E45 IonicContact NH1-OE2 3.53Å; R23-E45 PolarHBondContact NH1-OE2 3.38Å; I43-E45 HydrophobicContact CG2-CG 3.93Å; E45-Q47 PolarHBondContact O-N 2.88Å; E45-Q47 PolarHBondContact O-NE2 3.46Å; E45-W54 PolarHBondContact N-O 3.4Å; E45-W54 WeakPolarHBondContact O-CA 3.38Å; E45-L56 HydrophobicContact CB-CD1 4.32Å; E45-L56 HydrophobicContact CG-CD1 4.34Å; E45-L56 WeakPolarHBondContact OE2-CD1 3.33Å | ||
| 46 | Q | 90.2 | Very high | 91.6 | Very high | 156 Ų | 156 | 65.2 Ų | 65.2 | 73% | 0.729 | 34% | 0.339 | S | S | * | . | trans | -60.2 | 135 | 177.4 | -68.8 | -179.5 | -11.9 | 0 | 0 | 111.7 | W54 | Q46-W54 HydrophobicContact CG-CE3 4.13Å; Q46-W54 HydrophobicContact CG-CZ3 4.16Å | ||
| 47 | Q | 86.3 | Confident | 91.6 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | trans | -120.9 | 152.4 | 179.9 | -58.1 | -51.7 | -57.4 | 0 | 0 | 112.1 | E45 A52 | E45-Q47 PolarHBondContact O-N 2.88Å; E45-Q47 PolarHBondContact O-NE2 3.46Å; Q47-A52 HydrophobicContact CB-CB 4.23Å; Q47-A52 HydrophobicContact CG-CB 4.41Å | ||
| 48 | Q | 88.5 | Confident | 91.3 | Very high | 198 Ų | 198 | 64.3 Ų | 64.3 | 93% | 0.925 | 34% | 0.338 | S | S | * | . | trans | -100.8 | -19.9 | 174.1 | -64.5 | -177 | -5.3 | 0 | 0 | 112.6 | ||||
| 49 | E | 89.8 | Confident | 91 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -71.4 | 131.3 | 179 | -172.9 | 173.7 | -161.5 | 0 | 0 | 110.2 | A52 W225 P278 | E49-A52 HydrophobicContact CB-CB 3.84Å; E49-A52 HydrophobicContact CG-CB 4.24Å; E49-A52 WeakPolarHBondContact O-CB 3.39Å; E49-A52 PolarHBondContact O-N 2.89Å; E49-W225 VanDerWaalsContact CD-CD1 3.41Å; E49-W225 VanDerWaalsContact CD-NE1 3.33Å; E49-W225 PolarHBondContact OE2-NE1 3.38Å; E49-P278 WeakPolarHBondContact OE1-CG 3.41Å |
| 50 | P | 89.7 | Confident | 90.9 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 142.3 | 174.8 | -25.2 | 34.9 | 0 | 0 | 0 | 112 | A52 | P50-A52 PolarHBondContact O-N 3.15Š|
| 51 | D | 90.2 | Very high | 90.8 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -5.9 | 179.6 | -57.7 | -43.6 | 0 | 0 | 0 | 116.4 | W225 | D51-W225 HydrophobicContact CB-CB 3.97Š|
| 52 | A | 93 | Very high | 90.8 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | trans | -65.6 | 135.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q47 E49 P50 W54 W225 | Q47-A52 HydrophobicContact CB-CB 4.23Å; Q47-A52 HydrophobicContact CG-CB 4.41Å; E49-A52 HydrophobicContact CB-CB 3.84Å; E49-A52 HydrophobicContact CG-CB 4.24Å; E49-A52 WeakPolarHBondContact O-CB 3.39Å; E49-A52 PolarHBondContact O-N 2.89Å; P50-A52 PolarHBondContact O-N 3.15Å; A52-W54 VanDerWaalsContact O-CD1 3.3Å; A52-W225 HydrophobicContact CB-CD2 4.26Å; A52-W225 HydrophobicContact CB-CG 3.97Å | ||
| 53 | P | 94.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -70.5 | 138.5 | -176 | 28.9 | -36 | 0 | 0 | 0 | 111.9 | R23 D25 L56 W225 | R23-P53 PolarHBondContact NH2-O 3.42Å; D25-P53 HydrophobicContact CB-CB 3.54Å; D25-P53 HydrophobicContact CB-CG 3.86Å; D25-P53 VanDerWaalsContact CG-CB 3.41Å; P53-L56 HydrophobicContact CB-CD2 4.21Å; P53-L56 HydrophobicContact CG-CD2 3.88Å; P53-W225 VanDerWaalsContact CD-CE3 3.47Å; P53-W225 HydrophobicContact CG-CE3 4.19Å; P53-W225 HydrophobicContact CG-CH2 4.41Å; P53-W225 HydrophobicContact CG-CZ3 3.94Å | ||
| 54 | W | 94.1 | Very high | 89.9 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -93.1 | -23.3 | 175 | -65.1 | 19.5 | 0 | 0 | 0 | 112.1 | W44 E45 Q46 A52 | W44-W54 CarbonylContact C-O 3.53Å; W44-W54 WeakPolarHBondContact CA-O 3.34Å; W44-W54 HydrophobicContact CD2-CB 4.26Å; W44-W54 AromaticContact CE2-CE3 3.73Å; W44-W54 HydrophobicContact CE3-CB 4.15Å; W44-W54 HydrophobicContact CH2-CB 3.95Å; W44-W54 AromaticContact CH2-CE3 3.99Å; W44-W54 HydrophobicContact CH2-CE3 3.99Å; W44-W54 HydrophobicContact CZ2-CB 4.07Å; W44-W54 HydrophobicContact CZ2-CD2 4.17Å; W44-W54 AromaticContact CZ2-CE3 3.26Å; W44-W54 HydrophobicContact CZ2-CE3 3.26Å; W44-W54 AromaticContact CZ2-CZ3 3.96Å; W44-W54 HydrophobicContact CZ2-CZ3 3.96Å; W44-W54 HydrophobicContact CZ3-CB 3.98Å; W44-W54 AromaticContact NE1-CE3 3.94Å; E45-W54 PolarHBondContact N-O 3.4Å; E45-W54 WeakPolarHBondContact O-CA 3.38Å; Q46-W54 HydrophobicContact CG-CE3 4.13Å; Q46-W54 HydrophobicContact CG-CZ3 4.16Å; A52-W54 VanDerWaalsContact O-CD1 3.3Å |
| 55 | C | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.9 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | D25 C26 H27 C37 C42 W44 | D25-C55 WeakPolarHBondContact CA-O 3.31Å; D25-C55 VanDerWaalsContact OD1-O 3.12Å; C26-C55 PolarHBondContact N-O 2.82Å; H27-C55 HydrophobicContact CB-CB 3.6Å; C37-C55 WeakPolarHBondContact CA-SG 3.47Å; C37-C55 HydrophobicContact CB-CB 3.68Å; C37-C55 WeakPolarHBondContact CB-SG 3.28Å; C37-C55 WeakPolarHBondContact SG-CA 3.33Å; C37-C55 WeakPolarHBondContact SG-CB 3.48Å; C37-C55 CovalentContact SG-SG 2.03Å; C37-C55 PolarHBondContact SG-SG 2.82Å; C42-C55 VanDerWaalsContact CB-SG 3.55Å; W44-C55 HydrophobicContact CE3-CB 4.07Å; W44-C55 HydrophobicContact CZ3-CB 4.23Å |
| 56 | L | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.3 | -171.8 | -53.1 | 176.6 | 0 | 0 | 0 | 111.4 | R23 I24 C42 I43 E45 P53 | R23-L56 HydrophobicContact CB-CD2 4.07Å; R23-L56 HydrophobicContact CG-CD1 4.4Å; R23-L56 VanDerWaalsContact NH2-CD1 3.35Å; I24-L56 WeakPolarHBondContact O-CA 3.36Å; C42-L56 VanDerWaalsContact CB-O 3.23Å; C42-L56 WeakPolarHBondContact CB-O 3.4Å; I43-L56 PolarHBondContact N-O 2.83Å; I43-L56 PolarHBondContact O-N 2.87Å; E45-L56 HydrophobicContact CB-CD1 4.32Å; E45-L56 HydrophobicContact CG-CD1 4.34Å; E45-L56 WeakPolarHBondContact OE2-CD1 3.33Å; P53-L56 HydrophobicContact CB-CD2 4.21Å; P53-L56 HydrophobicContact CG-CD2 3.88Å |
| 57 | F | 92.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | trans | -61 | 149.3 | 161.8 | -73.6 | -77.5 | 0 | 0 | 0 | 111.4 | I24 D25 C26 D59 A67 I98 P188 Q198 | I24-F57 HydrophobicContact CB-CD2 4.03Å; I24-F57 HydrophobicContact CG2-CD2 3.82Å; I24-F57 HydrophobicContact CG2-CE2 4.14Å; I24-F57 WeakPolarHBondContact O-CD2 3.35Å; I24-F57 PolarHBondContact O-N 2.83Å; D25-F57 VanDerWaalsContact O-CE2 3.23Å; D25-F57 WeakPolarHBondContact O-CE2 3.3Å; C26-F57 HydrophobicContact CB-CD1 4.15Å; C26-F57 HydrophobicContact CB-CD2 3.78Å; C26-F57 HydrophobicContact CB-CE1 4.1Å; C26-F57 HydrophobicContact CB-CE2 3.71Å; C26-F57 HydrophobicContact CB-CG 4Å; C26-F57 HydrophobicContact CB-CZ 3.89Å; F57-D59 PolarHBondContact O-N 3Å; F57-A67 HydrophobicContact CD1-CB 3.47Å; F57-A67 VanDerWaalsContact CD1-CB 3.47Å; F57-A67 HydrophobicContact CE1-CB 3.49Å; F57-A67 VanDerWaalsContact CE1-CB 3.49Å; F57-A67 HydrophobicContact CG-CB 4.45Å; F57-A67 HydrophobicContact CZ-CB 4.49Å; F57-I98 HydrophobicContact CE1-CD1 4.27Å; F57-I98 HydrophobicContact CZ-CD1 3.63Å; F57-I98 HydrophobicContact CZ-CG1 4.49Å; F57-P188 HydrophobicContact CB-CB 3.66Å; F57-P188 HydrophobicContact CB-CG 3.63Å; F57-P188 HydrophobicContact CG-CB 4.13Å; F57-P188 HydrophobicContact CG-CG 4.38Å; F57-Q198 VanDerWaalsContact CE2-NE2 3.3Å | ||
| 58 | E | 87.5 | Confident | 89.1 | Confident | 56 Ų | 56 | 63 Ų | 63 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | trans | -68.6 | 121.7 | 167.2 | -176.7 | 159.9 | -132 | 0 | 0 | 110.4 | I43 D60 K63 | I43-E58 HydrophobicContact CD1-CB 3.9Å; I43-E58 HydrophobicContact CD1-CG 3.99Å; E58-D60 HydrophobicContact CG-CB 4.44Å; E58-D60 PolarHBondContact O-N 2.85Å; E58-K63 HydrophobicContact CG-CD 4.31Å; E58-K63 IonicContact OE1-NZ 2.75Å; E58-K63 PolarHBondContact OE1-NZ 2.83Å; E58-K63 WeakPolarHBondContact OE2-CD 3.34Å; E58-K63 IonicContact OE2-NZ 2.82Å; E58-K63 PolarHBondContact OE2-NZ 3.13Å | ||
| 59 | D | 84.7 | Confident | 89.4 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | trans | -95.6 | 63 | -177 | -173 | 26.1 | 0 | 0 | 0 | 110.5 | R21 I22 F57 | R21-D59 HydrophobicContact CG-CB 4.28Å; I22-D59 PolarHBondContact N-OD2 3Å; F57-D59 PolarHBondContact O-N 3Å | ||
| 60 | D | 88.5 | Confident | 89.7 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | trans | -135.8 | 98.7 | 171.7 | -176.1 | -6.6 | 0 | 0 | 0 | 110.7 | E58 H62 K63 Y66 | E58-D60 HydrophobicContact CG-CB 4.44Å; E58-D60 PolarHBondContact O-N 2.85Å; D60-H62 PolarHBondContact O-N 2.87Å; D60-H62 VanDerWaalsContact O-N 3.11Å; D60-H62 WeakPolarHBondContact OD1-CB 3.12Å; D60-H62 IonicContact OD1-CD2 3.36Å; D60-H62 IonicContact OD1-CG 3.53Å; D60-H62 PolarHBondContact OD1-N 2.85Å; D60-K63 HydrophobicContact CB-CD 4.04Å; D60-K63 HydrophobicContact CB-CG 4.08Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 WeakPolarHBondContact OD2-CE 3.36Å; D60-K63 WeakPolarHBondContact OD2-CG 3.4Å; D60-Y66 WeakPolarHBondContact O-CD2 3.47Å | ||
| 61 | P | 86.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.6 | -176.3 | 27 | -34.6 | 0 | 0 | 0 | 113.8 | Y66 R93 P167 | P61-Y66 VanDerWaalsContact CA-CD2 3.49Å; P61-Y66 HydrophobicContact CB-CD2 4.37Å; P61-Y66 HydrophobicContact CB-CE2 4.16Å; P61-R93 PolarHBondContact O-NH1 3.36Å; P61-P167 HydrophobicContact CB-CG 3.89Å |
| 62 | H | 87.4 | Confident | 90.5 | Very high | 169 Ų | 169 | 50.2 Ų | 50.2 | 78% | 0.782 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19 | -179.7 | -61.2 | -66.9 | 0 | 0 | 0 | 113 | D60 | D60-H62 PolarHBondContact O-N 2.87Å; D60-H62 VanDerWaalsContact O-N 3.11Å; D60-H62 WeakPolarHBondContact OD1-CB 3.12Å; D60-H62 IonicContact OD1-CD2 3.36Å; D60-H62 IonicContact OD1-CG 3.53Å; D60-H62 PolarHBondContact OD1-N 2.85Å |
| 63 | K | 86.3 | Confident | 90.6 | Very high | 81 Ų | 81 | 52 Ų | 52 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -72.4 | 140.1 | 175.7 | -71.6 | -176.5 | 176.9 | -169.5 | 0 | 111.1 | E58 D60 T65 Y66 R93 | E58-K63 HydrophobicContact CG-CD 4.31Å; E58-K63 IonicContact OE1-NZ 2.75Å; E58-K63 PolarHBondContact OE1-NZ 2.83Å; E58-K63 WeakPolarHBondContact OE2-CD 3.34Å; E58-K63 IonicContact OE2-NZ 2.82Å; E58-K63 PolarHBondContact OE2-NZ 3.13Å; D60-K63 HydrophobicContact CB-CD 4.04Å; D60-K63 HydrophobicContact CB-CG 4.08Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 WeakPolarHBondContact OD2-CE 3.36Å; D60-K63 WeakPolarHBondContact OD2-CG 3.4Å; K63-T65 PolarHBondContact O-N 2.79Å; K63-Y66 WeakPolarHBondContact O-CB 3.49Å; K63-Y66 PolarHBondContact O-N 3.28Å; K63-Y66 VanDerWaalsContact O-N 3.16Å; K63-R93 PolarHBondContact O-NH2 3.25Å |
| 64 | E | 80.1 | Confident | 90.8 | Very high | 148 Ų | 148 | 54.3 Ų | 54.3 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.4 | 174.3 | -68.3 | -175.5 | 167.4 | 0 | 0 | 112.2 | Y66 | E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.9Å |
| 65 | T | 79.7 | Confident | 90.8 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 2.4 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | K63 A67 T95 | K63-T65 PolarHBondContact O-N 2.79Å; T65-A67 PolarHBondContact O-N 2.81Å; T65-T95 VanDerWaalsContact C-CG2 3.42Å; T65-T95 WeakPolarHBondContact O-CG2 3.18Å |
| 66 | Y | 85.5 | Confident | 90.7 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -62.8 | 119 | 176.5 | -176.5 | -92.1 | 0 | 0 | 0 | 111 | D60 P61 K63 E64 G68 T95 P167 R186 L187 P188 | D60-Y66 WeakPolarHBondContact O-CD2 3.47Å; P61-Y66 VanDerWaalsContact CA-CD2 3.49Å; P61-Y66 HydrophobicContact CB-CD2 4.37Å; P61-Y66 HydrophobicContact CB-CE2 4.16Å; K63-Y66 WeakPolarHBondContact O-CB 3.49Å; K63-Y66 PolarHBondContact O-N 3.28Å; K63-Y66 VanDerWaalsContact O-N 3.16Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.9Å; Y66-G68 PolarHBondContact O-N 2.69Å; Y66-T95 WeakPolarHBondContact O-CG2 3.37Å; Y66-P167 HydrophobicContact CD1-CB 3.74Å; Y66-P167 HydrophobicContact CD1-CG 3.82Å; Y66-P167 HydrophobicContact CE1-CB 3.75Å; Y66-P167 HydrophobicContact CE1-CG 3.64Å; Y66-R186 WeakPolarHBondContact OH-CA 3.43Å; Y66-R186 PolarHBondContact OH-O 3.23Å; Y66-R186 VanDerWaalsContact OH-O 3.12Å; Y66-L187 PolarHBondContact OH-N 2.83Å; Y66-L187 PolarHBondContact OH-O 2.87Å; Y66-P188 HydrophobicContact CD2-CB 4.29Å; Y66-P188 HydrophobicContact CE1-CB 4.29Å; Y66-P188 HydrophobicContact CE2-CB 3.69Å; Y66-P188 HydrophobicContact CE2-CG 4.4Å | ||
| 67 | A | 89.2 | Confident | 90.5 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -62.4 | 120.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F57 T65 G189 | F57-A67 HydrophobicContact CD1-CB 3.47Å; F57-A67 VanDerWaalsContact CD1-CB 3.47Å; F57-A67 HydrophobicContact CE1-CB 3.49Å; F57-A67 VanDerWaalsContact CE1-CB 3.49Å; F57-A67 HydrophobicContact CG-CB 4.45Å; F57-A67 HydrophobicContact CZ-CB 4.49Å; T65-A67 PolarHBondContact O-N 2.81Å; A67-G189 PolarHBondContact O-N 2.78Å |
| 68 | G | 93.5 | Very high | 90 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 159.4 | -165.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y66 R93 F190 | Y66-G68 PolarHBondContact O-N 2.69Å; G68-R93 WeakPolarHBondContact O-CB 3.27Å; G68-R93 PolarHBondContact O-N 3.14Å; G68-F190 WeakPolarHBondContact CA-O 3.47Å |
| 69 | Y | 96.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 174.8 | 173.8 | -72.7 | -107.3 | 0 | 0 | 0 | 110.2 | L90 A91 R92 Y103 L106 F168 F190 M192 | Y69-L90 HydrophobicContact CD1-CB 3.84Å; Y69-L90 HydrophobicContact CG-CB 4.2Å; Y69-A91 CarbonylContact C-O 3.5Å; Y69-A91 WeakPolarHBondContact CA-O 3.5Å; Y69-A91 WeakPolarHBondContact CB-O 3.32Å; Y69-R92 HydrophobicContact CD1-CB 4.06Å; Y69-R92 VanDerWaalsContact CD1-N 3.26Å; Y69-R92 HydrophobicContact CE1-CB 3.69Å; Y69-R92 HydrophobicContact CE1-CG 4.22Å; Y69-R92 HydrophobicContact CE2-CG 4.38Å; Y69-Y103 PolarHBondContact OH-O 2.78Å; Y69-L106 HydrophobicContact CD1-CD1 4.11Å; Y69-L106 HydrophobicContact CD1-CG 4.36Å; Y69-L106 HydrophobicContact CD2-CD1 4.27Å; Y69-L106 HydrophobicContact CE1-CB 4.39Å; Y69-L106 HydrophobicContact CE1-CD1 3.55Å; Y69-L106 HydrophobicContact CE1-CG 3.63Å; Y69-L106 HydrophobicContact CE2-CD1 3.71Å; Y69-L106 HydrophobicContact CG-CD1 4.46Å; Y69-L106 WeakPolarHBondContact OH-CD1 3.47Å; Y69-F168 WeakPolarHBondContact O-CB 3.43Å; Y69-F168 PolarHBondContact O-N 2.89Å; Y69-F190 AromaticContact CD2-CD1 3.61Å; Y69-F190 HydrophobicContact CD2-CD1 3.61Å; Y69-F190 AromaticContact CD2-CE1 3.68Å; Y69-F190 HydrophobicContact CD2-CE1 3.68Å; Y69-F190 HydrophobicContact CD2-CG 4.47Å; Y69-F190 HydrophobicContact CE2-CD1 4.34Å; Y69-F190 HydrophobicContact CE2-CE1 4.26Å; Y69-F190 HydrophobicContact CG-CD1 4.34Å; Y69-F190 HydrophobicContact CG-CE1 4.19Å; Y69-M192 PolarHBondContact OH-O 3.38Å |
| 70 | Y | 96.1 | Very high | 89.6 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.8 | 162.2 | 67.7 | -87.3 | 0 | 0 | 0 | 109.7 | R72 L90 A91 R93 R165 | Y70-R72 HydrophobicContact CE2-CB 4.17Å; Y70-R72 PolarHBondContact O-N 3.32Å; Y70-L90 CarbonylContact O-C 3.53Å; Y70-L90 VanDerWaalsContact O-CA 3.31Å; Y70-L90 WeakPolarHBondContact O-CA 3.44Å; Y70-A91 HydrophobicContact CD1-CB 4.13Å; Y70-A91 WeakPolarHBondContact CD1-O 3.26Å; Y70-A91 HydrophobicContact CD2-CB 4.47Å; Y70-A91 HydrophobicContact CE1-CB 3.52Å; Y70-A91 HydrophobicContact CE2-CB 3.89Å; Y70-A91 PolarHBondContact N-O 3.27Å; Y70-A91 PolarHBondContact O-N 3.46Å; Y70-A91 WeakPolarHBondContact OH-CB 3.16Å; Y70-R93 HydrophobicContact CD1-CG 4.08Å; Y70-R165 CarbonylContact C-O 3.53Å; Y70-R165 VanDerWaalsContact CA-O 3.28Å; Y70-R165 WeakPolarHBondContact CA-O 3.47Å; Y70-R165 WeakPolarHBondContact CB-O 3.4Å |
| 71 | V | 97.9 | Very high | 89.1 | Confident | 14 Ų | 14 | 80 Ų | 80 | 9% | 0.085 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 107.6 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | T74 A88 L90 R165 F168 | V71-T74 HydrophobicContact CG1-CG2 3.4Å; V71-T74 VanDerWaalsContact CG1-CG2 3.4Å; V71-A88 HydrophobicContact CG1-CB 4.36Å; V71-L90 HydrophobicContact CB-CD2 4.4Å; V71-L90 HydrophobicContact CG2-CD2 3.79Å; V71-R165 HydrophobicContact CB-CB 4.24Å; V71-R165 HydrophobicContact CB-CG 4.23Å; V71-R165 HydrophobicContact CG2-CG 4.49Å; V71-R165 PolarHBondContact N-O 3.47Å; V71-F168 HydrophobicContact CG2-CB 4.46Å; V71-F168 HydrophobicContact CG2-CD2 3.69Å |
| 72 | R | 97.6 | Very high | 89 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -43.2 | 175.6 | -177 | -176.2 | -71.4 | 163.3 | -1.9 | 111.2 | Y70 N89 A91 E105 | Y70-R72 HydrophobicContact CE2-CB 4.17Å; Y70-R72 PolarHBondContact O-N 3.32Å; R72-N89 PolarHBondContact N-O 3.44Å; R72-A91 HydrophobicContact CB-CB 4.19Å; R72-A91 VanDerWaalsContact NH2-CB 3.29Å; R72-E105 IonicContact NH1-OE1 3.64Å; R72-E105 IonicContact NH1-OE2 3.84Å; R72-E105 PolarHBondContact NH1-OE2 2.63Å |
| 73 | A | 97 | Very high | 88.8 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A88 N89 | A73-A88 CarbonylContact O-C 3.5Å; A73-A88 WeakPolarHBondContact O-CA 3.42Å; A73-N89 HydrophobicContact CB-CB 4.25Å; A73-N89 PolarHBondContact N-O 2.93Å; A73-N89 PolarHBondContact O-N 3.28Å |
| 74 | T | 96.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.7 | 173.1 | 58.2 | 0 | 0 | 0 | 0 | 109.1 | V71 F86 V87 A88 | V71-T74 HydrophobicContact CG1-CG2 3.4Å; V71-T74 VanDerWaalsContact CG1-CG2 3.4Å; T74-F86 HydrophobicContact CG2-CE2 4.04Å; T74-F86 HydrophobicContact CG2-CZ 3.66Å; T74-V87 CarbonylContact C-O 3.48Å; T74-V87 WeakPolarHBondContact CA-O 3.18Å; T74-A88 HydrophobicContact CG2-CB 4.15Å |
| 75 | K | 95.1 | Very high | 89.4 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.7 | 174.5 | -165.5 | 175.9 | -175.8 | -173.5 | 0 | 109.6 | L77 V87 | K75-L77 HydrophobicContact CD-CD2 3.67Å; K75-L77 HydrophobicContact CD-CG 4.13Å; K75-L77 HydrophobicContact CG-CD2 4.09Å; K75-L77 HydrophobicContact CG-CG 4.2Å; K75-V87 PolarHBondContact N-O 2.82Å; K75-V87 PolarHBondContact O-N 2.74Å |
| 76 | I | 92.3 | Very high | 90.1 | Very high | 121 Ų | 121 | 67.1 Ų | 67.1 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.9 | 165.2 | -62.4 | 172.8 | 0 | 0 | 0 | 106.4 | P84 F86 | I76-P84 HydrophobicContact CG2-CB 3.48Å; I76-P84 VanDerWaalsContact CG2-CB 3.48Å; I76-F86 HydrophobicContact CG1-CD2 4.14Å |
| 77 | L | 90 | Very high | 90.6 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.6 | -179.9 | -70.2 | 170.9 | 0 | 0 | 0 | 107.9 | K75 P79 P84 Y85 V87 | K75-L77 HydrophobicContact CD-CD2 3.67Å; K75-L77 HydrophobicContact CD-CG 4.13Å; K75-L77 HydrophobicContact CG-CD2 4.09Å; K75-L77 HydrophobicContact CG-CG 4.2Å; L77-P79 WeakPolarHBondContact O-CD 3.23Å; L77-P84 CarbonylContact O-C 3.5Å; L77-P84 VanDerWaalsContact O-CA 3.27Å; L77-P84 WeakPolarHBondContact O-CA 3.5Å; L77-Y85 HydrophobicContact CB-CD1 4.09Å; L77-Y85 HydrophobicContact CB-CD2 4.21Å; L77-Y85 HydrophobicContact CB-CE1 3.62Å; L77-Y85 HydrophobicContact CB-CE2 3.78Å; L77-Y85 HydrophobicContact CB-CG 4.36Å; L77-Y85 VanDerWaalsContact CB-CZ 3.44Å; L77-Y85 HydrophobicContact CD1-CD2 4.45Å; L77-Y85 HydrophobicContact CD1-CE2 3.48Å; L77-Y85 VanDerWaalsContact CD1-CE2 3.48Å; L77-Y85 VanDerWaalsContact CD1-OH 3.28Å; L77-Y85 WeakPolarHBondContact CD1-OH 3.31Å; L77-Y85 HydrophobicContact CG-CE2 4.19Å; L77-Y85 PolarHBondContact N-O 3.24Å; L77-Y85 WeakPolarHBondContact O-CD1 3.49Å; L77-Y85 PolarHBondContact O-N 2.93Å; L77-V87 HydrophobicContact CD1-CG2 4.05Å |
| 78 | Q | 83.6 | Confident | 91 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | trans | -113.9 | 99.4 | -178.8 | -173.2 | 172.7 | 22.7 | 0 | 0 | 109.5 | P84 E153 | Q78-P84 HydrophobicContact CB-CB 4.16Å; Q78-P84 HydrophobicContact CB-CG 4.14Å; Q78-P84 HydrophobicContact CG-CB 4.38Å; Q78-P84 HydrophobicContact CG-CG 3.86Å; Q78-E153 PolarHBondContact NE2-OE1 3.44Å | ||
| 79 | P | 80.3 | Confident | 91.2 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -65.3 | 152.3 | 169.4 | -11.7 | 25.9 | 0 | 0 | 0 | 110.4 | L77 R81 R82 Y85 | L77-P79 WeakPolarHBondContact O-CD 3.23Å; P79-R81 PolarHBondContact O-N 3.05Å; P79-R81 VanDerWaalsContact O-N 3.16Å; P79-R82 HydrophobicContact CB-CB 3.85Å; P79-R82 HydrophobicContact CB-CG 3.91Å; P79-R82 HydrophobicContact CG-CB 4.09Å; P79-R82 PolarHBondContact O-N 3.12Å; P79-Y85 HydrophobicContact CG-CD1 4.23Å; P79-Y85 HydrophobicContact CG-CE1 3.93Å | ||
| 80 | H | 81.6 | Confident | 91.3 | Very high | 159 Ų | 159 | 68.7 Ų | 68.7 | 74% | 0.736 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 121.2 | -175.5 | -173.2 | 65.5 | 0 | 0 | 0 | 112.1 | R82 | H80-R82 PolarHBondContact O-N 3.24Š|
| 81 | R | 79.1 | Confident | 91.4 | Very high | 194 Ų | 194 | 65 Ų | 65 | 73% | 0.732 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 21.4 | -177.7 | -56.7 | 178.3 | -176 | -162.8 | -3.9 | 114.8 | P79 | P79-R81 PolarHBondContact O-N 3.05Å; P79-R81 VanDerWaalsContact O-N 3.16Å |
| 82 | R | 83.4 | Confident | 91.3 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -112.5 | 157.4 | 176.6 | -58.9 | -57 | -177.6 | -173.4 | 2.8 | 110.5 | P79 H80 Q148 L149 | P79-R82 HydrophobicContact CB-CB 3.85Å; P79-R82 HydrophobicContact CB-CG 3.91Å; P79-R82 HydrophobicContact CG-CB 4.09Å; P79-R82 PolarHBondContact O-N 3.12Å; H80-R82 PolarHBondContact O-N 3.24Å; R82-Q148 WeakPolarHBondContact CD-O 3.3Å; R82-L149 VanDerWaalsContact NH1-C 3.31Å; R82-L149 PolarHBondContact NH1-O 2.95Å |
| 83 | M | 84.3 | Confident | 91.1 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | trans | -59.3 | 133.8 | 171.6 | -166.3 | -177.5 | -72 | 0 | 0 | 109.8 | P112 M151 P157 | M83-P112 HydrophobicContact CE-CB 4.45Å; M83-P112 HydrophobicContact CG-CG 4.26Å; M83-P112 HydrophobicContact SD-CB 3.25Å; M83-P112 WeakPolarHBondContact SD-CB 3.35Å; M83-P112 HydrophobicContact SD-CG 3.36Å; M83-P112 WeakPolarHBondContact SD-CG 3.33Å; M83-M151 HydrophobicContact CB-CB 4.19Å; M83-M151 HydrophobicContact CE-CE 3.15Å; M83-M151 HydrophobicContact CE-SD 4Å; M83-M151 PolarHBondContact N-O 2.81Å; M83-M151 HydrophobicContact SD-CE 3.68Å; M83-P157 HydrophobicContact CE-CG 3.9Å; M83-P157 HydrophobicContact SD-CG 4Å | ||
| 84 | P | 87.5 | Confident | 90.7 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -60.4 | 144.7 | 172 | -16.6 | 26.6 | 0 | 0 | 0 | 111.4 | I76 L77 Q78 | I76-P84 HydrophobicContact CG2-CB 3.48Å; I76-P84 VanDerWaalsContact CG2-CB 3.48Å; L77-P84 CarbonylContact O-C 3.5Å; L77-P84 VanDerWaalsContact O-CA 3.27Å; L77-P84 WeakPolarHBondContact O-CA 3.5Å; Q78-P84 HydrophobicContact CB-CB 4.16Å; Q78-P84 HydrophobicContact CB-CG 4.14Å; Q78-P84 HydrophobicContact CG-CB 4.38Å; Q78-P84 HydrophobicContact CG-CG 3.86Å | ||
| 85 | Y | 90.7 | Very high | 90.2 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.2 | 169.7 | 67.8 | -89.2 | 0 | 0 | 0 | 111.2 | L77 P79 V87 K109 V110 L111 | L77-Y85 HydrophobicContact CB-CD1 4.09Å; L77-Y85 HydrophobicContact CB-CD2 4.21Å; L77-Y85 HydrophobicContact CB-CE1 3.62Å; L77-Y85 HydrophobicContact CB-CE2 3.78Å; L77-Y85 HydrophobicContact CB-CG 4.36Å; L77-Y85 VanDerWaalsContact CB-CZ 3.44Å; L77-Y85 HydrophobicContact CD1-CD2 4.45Å; L77-Y85 HydrophobicContact CD1-CE2 3.48Å; L77-Y85 VanDerWaalsContact CD1-CE2 3.48Å; L77-Y85 VanDerWaalsContact CD1-OH 3.28Å; L77-Y85 WeakPolarHBondContact CD1-OH 3.31Å; L77-Y85 HydrophobicContact CG-CE2 4.19Å; L77-Y85 PolarHBondContact N-O 3.24Å; L77-Y85 WeakPolarHBondContact O-CD1 3.49Å; L77-Y85 PolarHBondContact O-N 2.93Å; P79-Y85 HydrophobicContact CG-CD1 4.23Å; P79-Y85 HydrophobicContact CG-CE1 3.93Å; Y85-V87 HydrophobicContact CD2-CG2 3.97Å; Y85-V87 HydrophobicContact CE2-CG2 3.83Å; Y85-K109 HydrophobicContact CD2-CG 4.44Å; Y85-V110 WeakPolarHBondContact CB-O 3.38Å; Y85-L111 HydrophobicContact CD1-CD2 4.3Å; Y85-L111 HydrophobicContact CD2-CD2 3.89Å; Y85-L111 HydrophobicContact CG-CD2 3.67Å |
| 86 | F | 93.9 | Very high | 89.8 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.2 | -171.3 | 174.2 | -88.2 | 0 | 0 | 0 | 110.7 | T74 I76 A88 V110 L161 L163 | T74-F86 HydrophobicContact CG2-CE2 4.04Å; T74-F86 HydrophobicContact CG2-CZ 3.66Å; I76-F86 HydrophobicContact CG1-CD2 4.14Å; F86-A88 HydrophobicContact CE1-CB 3.66Å; F86-A88 HydrophobicContact CZ-CB 3.89Å; F86-V110 HydrophobicContact CB-CB 4.24Å; F86-V110 HydrophobicContact CD1-CB 4.36Å; F86-V110 HydrophobicContact CD1-CG2 4.02Å; F86-V110 PolarHBondContact N-O 3.27Å; F86-V110 VanDerWaalsContact N-O 3.15Å; F86-V110 PolarHBondContact O-N 3.02Å; F86-L161 HydrophobicContact CD1-CD2 4.36Å; F86-L163 HydrophobicContact CD1-CD1 4.33Å; F86-L163 HydrophobicContact CE1-CD1 3.31Å; F86-L163 HydrophobicContact CE2-CD1 4.04Å; F86-L163 HydrophobicContact CZ-CD1 3.12Å |
| 87 | V | 96.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.4 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | T74 K75 L77 Y85 Y107 M108 K109 | T74-V87 CarbonylContact C-O 3.48Å; T74-V87 WeakPolarHBondContact CA-O 3.18Å; K75-V87 PolarHBondContact N-O 2.82Å; K75-V87 PolarHBondContact O-N 2.74Å; L77-V87 HydrophobicContact CD1-CG2 4.05Å; Y85-V87 HydrophobicContact CD2-CG2 3.97Å; Y85-V87 HydrophobicContact CE2-CG2 3.83Å; V87-Y107 HydrophobicContact CG1-CD1 4.42Å; V87-M108 CarbonylContact C-O 3.56Å; V87-M108 VanDerWaalsContact CA-O 3.3Å; V87-M108 WeakPolarHBondContact CA-O 3.32Å; V87-K109 HydrophobicContact CG2-CB 4.47Å; V87-K109 HydrophobicContact CG2-CG 4.29Å |
| 88 | A | 97.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V71 A73 T74 F86 L90 Y107 M108 | V71-A88 HydrophobicContact CG1-CB 4.36Å; A73-A88 CarbonylContact O-C 3.5Å; A73-A88 WeakPolarHBondContact O-CA 3.42Å; T74-A88 HydrophobicContact CG2-CB 4.15Å; F86-A88 HydrophobicContact CE1-CB 3.66Å; F86-A88 HydrophobicContact CZ-CB 3.89Å; A88-L90 HydrophobicContact CB-CD2 4.07Å; A88-Y107 WeakPolarHBondContact O-CA 3.14Å; A88-M108 HydrophobicContact CB-CB 4.3Å; A88-M108 PolarHBondContact N-O 3.19Å; A88-M108 PolarHBondContact O-N 3.29Å |
| 89 | N | 98 | Very high | 89.9 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.2 | 168.1 | -61.9 | 20.5 | 0 | 0 | 0 | 107.3 | R72 A73 E105 Y107 | R72-N89 PolarHBondContact N-O 3.44Å; A73-N89 HydrophobicContact CB-CB 4.25Å; A73-N89 PolarHBondContact N-O 2.93Å; A73-N89 PolarHBondContact O-N 3.28Å; N89-E105 PolarHBondContact ND2-OE1 3.16Å; N89-Y107 HydrophobicContact CB-CD1 4.48Å; N89-Y107 HydrophobicContact CB-CE1 4.44Å; N89-Y107 WeakPolarHBondContact OD1-CD1 3.37Å; N89-Y107 WeakPolarHBondContact OD1-CE1 3.33Å |
| 90 | L | 98.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.7 | -179.8 | -52 | -175.1 | 0 | 0 | 0 | 108.9 | Y69 Y70 V71 A88 E105 L106 M108 F122 F168 F190 | Y69-L90 HydrophobicContact CD1-CB 3.84Å; Y69-L90 HydrophobicContact CG-CB 4.2Å; Y70-L90 CarbonylContact O-C 3.53Å; Y70-L90 VanDerWaalsContact O-CA 3.31Å; Y70-L90 WeakPolarHBondContact O-CA 3.44Å; V71-L90 HydrophobicContact CB-CD2 4.4Å; V71-L90 HydrophobicContact CG2-CD2 3.79Å; A88-L90 HydrophobicContact CB-CD2 4.07Å; L90-E105 CarbonylContact O-C 3.5Å; L90-E105 VanDerWaalsContact O-CA 3.27Å; L90-E105 WeakPolarHBondContact O-CA 3.1Å; L90-L106 HydrophobicContact CB-CB 4.23Å; L90-L106 PolarHBondContact N-O 2.82Å; L90-L106 PolarHBondContact O-N 3.32Å; L90-M108 HydrophobicContact CD1-CB 4.12Å; L90-M108 HydrophobicContact CG-CB 4.4Å; L90-F122 HydrophobicContact CD1-CD1 4.17Å; L90-F122 HydrophobicContact CD1-CE1 3.95Å; L90-F168 HydrophobicContact CD1-CD1 3.78Å; L90-F168 HydrophobicContact CD1-CD2 4.18Å; L90-F168 HydrophobicContact CD1-CE1 3.72Å; L90-F168 HydrophobicContact CD1-CE2 4.11Å; L90-F168 HydrophobicContact CD1-CG 4.01Å; L90-F168 HydrophobicContact CD1-CZ 3.89Å; L90-F168 HydrophobicContact CD2-CB 4.42Å; L90-F168 HydrophobicContact CD2-CD2 3.57Å; L90-F168 HydrophobicContact CD2-CE2 3.93Å; L90-F168 HydrophobicContact CD2-CG 3.89Å; L90-F190 HydrophobicContact CD1-CE1 3.97Å |
| 91 | A | 97.8 | Very high | 91 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y69 Y70 R72 Q104 | Y69-A91 CarbonylContact C-O 3.5Å; Y69-A91 WeakPolarHBondContact CA-O 3.5Å; Y69-A91 WeakPolarHBondContact CB-O 3.32Å; Y70-A91 HydrophobicContact CD1-CB 4.13Å; Y70-A91 WeakPolarHBondContact CD1-O 3.26Å; Y70-A91 HydrophobicContact CD2-CB 4.47Å; Y70-A91 HydrophobicContact CE1-CB 3.52Å; Y70-A91 HydrophobicContact CE2-CB 3.89Å; Y70-A91 PolarHBondContact N-O 3.27Å; Y70-A91 PolarHBondContact O-N 3.46Å; Y70-A91 WeakPolarHBondContact OH-CB 3.16Å; R72-A91 HydrophobicContact CB-CB 4.19Å; R72-A91 VanDerWaalsContact NH2-CB 3.29Å; A91-Q104 WeakPolarHBondContact CA-O 3.19Å |
| 92 | R | 95.6 | Very high | 91.8 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.7 | -177.6 | -163.5 | -179.7 | 176.9 | -80.7 | 8.3 | 110.3 | Y69 T95 A96 D102 Q104 | Y69-R92 HydrophobicContact CD1-CB 4.06Å; Y69-R92 VanDerWaalsContact CD1-N 3.26Å; Y69-R92 HydrophobicContact CE1-CB 3.69Å; Y69-R92 HydrophobicContact CE1-CG 4.22Å; Y69-R92 HydrophobicContact CE2-CG 4.38Å; R92-T95 PolarHBondContact NH1-O 2.88Å; R92-T95 PolarHBondContact NH1-OG1 2.92Å; R92-T95 PolarHBondContact NH2-O 2.86Å; R92-T95 PolarHBondContact NH2-OG1 3.08Å; R92-A96 PolarHBondContact NH2-O 3.47Å; R92-D102 IonicContact CZ-OD2 3.23Å; R92-D102 VanDerWaalsContact CZ-OD2 3.27Å; R92-D102 IonicContact NE-OD2 2.83Å; R92-D102 PolarHBondContact NE-OD2 3.3Å; R92-D102 IonicContact NH2-OD2 3.76Å; R92-D102 PolarHBondContact NH2-OD2 2.81Å; R92-Q104 PolarHBondContact N-O 2.81Å |
| 93 | R | 93.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | trans | -76.4 | 164.6 | 172 | -64.6 | -173.8 | 71.8 | 174 | 3.9 | 110.7 | P61 K63 G68 Y70 T95 | P61-R93 PolarHBondContact O-NH1 3.36Å; K63-R93 PolarHBondContact O-NH2 3.25Å; G68-R93 WeakPolarHBondContact O-CB 3.27Å; G68-R93 PolarHBondContact O-N 3.14Å; Y70-R93 HydrophobicContact CD1-CG 4.08Å; R93-T95 VanDerWaalsContact C-N 3.33Å; R93-T95 HydrophobicContact CB-CG2 4.21Å; R93-T95 PolarHBondContact O-N 3.16Å | ||
| 94 | Q | 88.8 | Confident | 93 | Very high | 162 Ų | 162 | 44.1 Ų | 44.1 | 76% | 0.757 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -78.2 | 81.9 | -180 | -171.8 | 175.8 | -5.7 | 0 | 0 | 110.8 | ||
| 95 | T | 87.1 | Confident | 93.5 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | trans | -129.3 | 154.5 | -179.9 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | T65 Y66 R92 R93 | T65-T95 VanDerWaalsContact C-CG2 3.42Å; T65-T95 WeakPolarHBondContact O-CG2 3.18Å; Y66-T95 WeakPolarHBondContact O-CG2 3.37Å; R92-T95 PolarHBondContact NH1-O 2.88Å; R92-T95 PolarHBondContact NH1-OG1 2.92Å; R92-T95 PolarHBondContact NH2-O 2.86Å; R92-T95 PolarHBondContact NH2-OG1 3.08Å; R93-T95 VanDerWaalsContact C-N 3.33Å; R93-T95 HydrophobicContact CB-CG2 4.21Å; R93-T95 PolarHBondContact O-N 3.16Å | ||
| 96 | A | 86.6 | Confident | 93.8 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 44% | 0.438 | 22% | 0.219 | S | C | . | . | trans | -56.8 | 153.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | R92 | R92-A96 PolarHBondContact NH2-O 3.47Š| ||
| 97 | T | 87.6 | Confident | 93.9 | Very high | 64 Ų | 64 | 43 Ų | 43 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | trans | -86.3 | 147.2 | 174 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | G100 D102 | T97-G100 WeakPolarHBondContact OG1-CA 3.5Å; T97-G100 PolarHBondContact OG1-N 2.99Å; T97-D102 WeakPolarHBondContact CA-OD2 3.34Å; T97-D102 WeakPolarHBondContact CB-OD2 3.33Å; T97-D102 VanDerWaalsContact OG1-CG 3.27Å; T97-D102 PolarHBondContact OG1-OD1 2.96Å; T97-D102 PolarHBondContact OG1-OD2 3.11Å | ||
| 98 | I | 88.8 | Confident | 93.9 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -88.5 | -48.4 | 176.8 | -53.1 | 172.9 | 0 | 0 | 0 | 109.6 | R40 F57 T191 F196 | R40-I98 PolarHBondContact NE-O 2.88Å; F57-I98 HydrophobicContact CE1-CD1 4.27Å; F57-I98 HydrophobicContact CZ-CD1 3.63Å; F57-I98 HydrophobicContact CZ-CG1 4.49Å; I98-T191 HydrophobicContact CD1-CG2 3.98Å; I98-F196 HydrophobicContact CD1-CE1 3.83Å |
| 99 | F | 90 | Very high | 93.8 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -130.1 | 1.6 | -174 | -67.2 | -69.5 | 0 | 0 | 0 | 114.4 | D29 F196 P498 Y499 | D29-F99 HydrophobicContact CB-CE1 4.2Å; D29-F99 HydrophobicContact CB-CZ 4.01Å; D29-F99 WeakPolarHBondContact OD1-CZ 3.22Å; F99-F196 HydrophobicContact CB-CB 4.26Å; F99-F196 HydrophobicContact CD2-CB 3.77Å; F99-F196 AromaticContact CD2-CD1 3.62Å; F99-F196 HydrophobicContact CD2-CD1 3.62Å; F99-F196 AromaticContact CD2-CD2 3.55Å; F99-F196 HydrophobicContact CD2-CD2 3.55Å; F99-F196 HydrophobicContact CD2-CE1 4.03Å; F99-F196 AromaticContact CD2-CE2 3.96Å; F99-F196 HydrophobicContact CD2-CE2 3.96Å; F99-F196 AromaticContact CD2-CG 3.34Å; F99-F196 HydrophobicContact CD2-CG 3.34Å; F99-F196 HydrophobicContact CD2-CZ 4.17Å; F99-F196 HydrophobicContact CE2-CD1 4.1Å; F99-F196 AromaticContact CE2-CD2 3.51Å; F99-F196 HydrophobicContact CE2-CD2 3.51Å; F99-F196 HydrophobicContact CE2-CE1 4.09Å; F99-F196 AromaticContact CE2-CE2 3.49Å; F99-F196 HydrophobicContact CE2-CE2 3.49Å; F99-F196 VanDerWaalsContact CE2-CE2 3.49Å; F99-F196 AromaticContact CE2-CG 3.8Å; F99-F196 HydrophobicContact CE2-CG 3.8Å; F99-F196 AromaticContact CE2-CZ 3.78Å; F99-F196 HydrophobicContact CE2-CZ 3.78Å; F99-F196 HydrophobicContact CG-CB 4.35Å; F99-F196 HydrophobicContact CG-CG 4.35Å; F99-P498 HydrophobicContact CB-CB 4.06Å; F99-P498 HydrophobicContact CB-CG 4.37Å; F99-P498 HydrophobicContact CD1-CB 4Å; F99-P498 WeakPolarHBondContact CD1-O 3.47Å; F99-P498 WeakPolarHBondContact CE1-O 3.33Å; F99-P498 HydrophobicContact CG-CB 4.35Å; F99-Y499 HydrophobicContact CE1-CD2 4.4Å; F99-Y499 AromaticContact CE2-CD2 3.87Å; F99-Y499 HydrophobicContact CE2-CD2 3.87Å; F99-Y499 HydrophobicContact CE2-CG 4.19Å; F99-Y499 AromaticContact CZ-CD2 3.59Å; F99-Y499 HydrophobicContact CZ-CD2 3.59Å; F99-Y499 HydrophobicContact CZ-CG 4.21Å |
| 100 | G | 91.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 83.7 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T97 D102 S193 | T97-G100 WeakPolarHBondContact OG1-CA 3.5Å; T97-G100 PolarHBondContact OG1-N 2.99Å; G100-D102 PolarHBondContact O-N 2.91Å; G100-S193 VanDerWaalsContact O-CB 3.26Å; G100-S193 WeakPolarHBondContact O-CB 3.46Å; G100-S193 PolarHBondContact O-OG 3.45Å |
| 101 | N | 94.8 | Very high | 93.6 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 61% | 0.61 | 22% | 0.224 | S | C | * | . | trans | 53.7 | 33.9 | 176.9 | -57.6 | -27.2 | 0 | 0 | 0 | 114.8 | S193 E194 | N101-S193 VanDerWaalsContact O-CA 3.32Å; N101-S193 WeakPolarHBondContact O-CA 3.32Å; N101-S193 VanDerWaalsContact O-CB 3.27Å; N101-S193 WeakPolarHBondContact O-CB 3.43Å; N101-E194 HydrophobicContact CB-CB 4.04Å; N101-E194 PolarHBondContact O-N 2.7Å | ||
| 102 | D | 95 | Very high | 93.4 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 133.5 | 178.9 | -59.9 | -40.6 | 0 | 0 | 0 | 111.2 | R92 T97 G100 Q104 S193 | R92-D102 IonicContact CZ-OD2 3.23Å; R92-D102 VanDerWaalsContact CZ-OD2 3.27Å; R92-D102 IonicContact NE-OD2 2.83Å; R92-D102 PolarHBondContact NE-OD2 3.3Å; R92-D102 IonicContact NH2-OD2 3.76Å; R92-D102 PolarHBondContact NH2-OD2 2.81Å; T97-D102 WeakPolarHBondContact CA-OD2 3.34Å; T97-D102 WeakPolarHBondContact CB-OD2 3.33Å; T97-D102 VanDerWaalsContact OG1-CG 3.27Å; T97-D102 PolarHBondContact OG1-OD1 2.96Å; T97-D102 PolarHBondContact OG1-OD2 3.11Å; G100-D102 PolarHBondContact O-N 2.91Å; D102-Q104 PolarHBondContact O-N 2.67Å; D102-Q104 PolarHBondContact O-NE2 2.98Å; D102-S193 WeakPolarHBondContact OD1-CB 3.43Å |
| 103 | Y | 96.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | trans | -65.4 | 131.6 | 172.9 | -63.8 | -59.7 | 0 | 0 | 0 | 109.8 | Y69 L106 P124 E126 M192 S193 | Y69-Y103 PolarHBondContact OH-O 2.78Å; Y103-L106 HydrophobicContact CD2-CD2 4Å; Y103-L106 HydrophobicContact CG-CD2 4.13Å; Y103-P124 HydrophobicContact CD1-CB 3.55Å; Y103-P124 HydrophobicContact CD1-CG 3.91Å; Y103-P124 HydrophobicContact CD2-CB 4.16Å; Y103-P124 HydrophobicContact CD2-CG 4.22Å; Y103-P124 HydrophobicContact CE1-CB 3.82Å; Y103-P124 HydrophobicContact CE1-CG 3.64Å; Y103-P124 HydrophobicContact CE2-CB 4.38Å; Y103-P124 HydrophobicContact CE2-CG 3.95Å; Y103-P124 HydrophobicContact CG-CB 3.74Å; Y103-P124 HydrophobicContact CG-CG 4.21Å; Y103-E126 WeakPolarHBondContact CD1-OE1 3.32Å; Y103-E126 VanDerWaalsContact CE1-OE1 3.31Å; Y103-E126 WeakPolarHBondContact CE1-OE1 3.39Å; Y103-M192 HydrophobicContact CD2-CB 3.96Å; Y103-M192 WeakPolarHBondContact CD2-O 3.21Å; Y103-M192 PolarHBondContact N-O 2.76Å; Y103-S193 WeakPolarHBondContact CE2-O 3.35Å | ||
| 104 | Q | 96.5 | Very high | 93.5 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -85.1 | -23.1 | 179.6 | -59.5 | -54.2 | -54.9 | 0 | 0 | 112.1 | A91 R92 D102 | A91-Q104 WeakPolarHBondContact CA-O 3.19Å; R92-Q104 PolarHBondContact N-O 2.81Å; D102-Q104 PolarHBondContact O-N 2.67Å; D102-Q104 PolarHBondContact O-NE2 2.98Å |
| 105 | E | 97.5 | Very high | 93.8 | Very high | 53 Ų | 53 | 39.9 Ų | 39.9 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.9 | 177.6 | -176.2 | 160 | -171.6 | 0 | 0 | 109.8 | R72 N89 L90 P125 | R72-E105 IonicContact NH1-OE1 3.64Å; R72-E105 IonicContact NH1-OE2 3.84Å; R72-E105 PolarHBondContact NH1-OE2 2.63Å; N89-E105 PolarHBondContact ND2-OE1 3.16Å; L90-E105 CarbonylContact O-C 3.5Å; L90-E105 VanDerWaalsContact O-CA 3.27Å; L90-E105 WeakPolarHBondContact O-CA 3.1Å; E105-P125 HydrophobicContact CB-CG 4.18Å; E105-P125 HydrophobicContact CG-CG 3.83Å; E105-P125 VanDerWaalsContact O-CD 3.26Å; E105-P125 WeakPolarHBondContact O-CD 3.38Å |
| 106 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.2 | 173 | -61.4 | 173 | 0 | 0 | 0 | 109.7 | Y69 L90 Y103 P124 F190 M192 | Y69-L106 HydrophobicContact CD1-CD1 4.11Å; Y69-L106 HydrophobicContact CD1-CG 4.36Å; Y69-L106 HydrophobicContact CD2-CD1 4.27Å; Y69-L106 HydrophobicContact CE1-CB 4.39Å; Y69-L106 HydrophobicContact CE1-CD1 3.55Å; Y69-L106 HydrophobicContact CE1-CG 3.63Å; Y69-L106 HydrophobicContact CE2-CD1 3.71Å; Y69-L106 HydrophobicContact CG-CD1 4.46Å; Y69-L106 WeakPolarHBondContact OH-CD1 3.47Å; L90-L106 HydrophobicContact CB-CB 4.23Å; L90-L106 PolarHBondContact N-O 2.82Å; L90-L106 PolarHBondContact O-N 3.32Å; Y103-L106 HydrophobicContact CD2-CD2 4Å; Y103-L106 HydrophobicContact CG-CD2 4.13Å; L106-P124 HydrophobicContact CD2-CB 4.17Å; L106-F190 HydrophobicContact CD1-CE1 4.29Å; L106-F190 HydrophobicContact CD1-CZ 4Å; L106-M192 HydrophobicContact CD1-CB 4Å; L106-M192 HydrophobicContact CD1-CG 4.02Å; L106-M192 HydrophobicContact CD1-SD 3.74Å; L106-M192 HydrophobicContact CD2-CB 4.13Å; L106-M192 HydrophobicContact CD2-SD 4.09Å |
| 107 | Y | 96.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 26% | 0.259 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128 | 161.3 | -64 | -49.1 | 0 | 0 | 0 | 109.6 | V87 A88 N89 F122 Y123 P125 | V87-Y107 HydrophobicContact CG1-CD1 4.42Å; A88-Y107 WeakPolarHBondContact O-CA 3.14Å; N89-Y107 HydrophobicContact CB-CD1 4.48Å; N89-Y107 HydrophobicContact CB-CE1 4.44Å; N89-Y107 WeakPolarHBondContact OD1-CD1 3.37Å; N89-Y107 WeakPolarHBondContact OD1-CE1 3.33Å; Y107-F122 WeakPolarHBondContact O-CA 3.36Å; Y107-Y123 HydrophobicContact CD2-CD2 4.21Å; Y107-Y123 AromaticContact CD2-CE2 3.7Å; Y107-Y123 HydrophobicContact CD2-CE2 3.7Å; Y107-Y123 HydrophobicContact CG-CE2 4.27Å; Y107-Y123 PolarHBondContact N-O 2.83Å; Y107-Y123 PolarHBondContact O-N 3Å; Y107-Y123 VanDerWaalsContact O-N 3.14Å; Y107-P125 HydrophobicContact CD2-CB 4.26Å; Y107-P125 HydrophobicContact CD2-CG 4.16Å; Y107-P125 HydrophobicContact CE1-CG 4.45Å; Y107-P125 VanDerWaalsContact CE2-CA 3.47Å; Y107-P125 HydrophobicContact CE2-CB 3.5Å; Y107-P125 HydrophobicContact CE2-CG 3.67Å |
| 108 | M | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.6 | 160.5 | 174.5 | -172.3 | 168.4 | 0 | 0 | 107.8 | V87 A88 L90 V110 I120 S121 F122 L161 L163 F168 M170 | V87-M108 CarbonylContact C-O 3.56Å; V87-M108 VanDerWaalsContact CA-O 3.3Å; V87-M108 WeakPolarHBondContact CA-O 3.32Å; A88-M108 HydrophobicContact CB-CB 4.3Å; A88-M108 PolarHBondContact N-O 3.19Å; A88-M108 PolarHBondContact O-N 3.29Å; L90-M108 HydrophobicContact CD1-CB 4.12Å; L90-M108 HydrophobicContact CG-CB 4.4Å; M108-V110 HydrophobicContact CE-CG2 3.44Å; M108-V110 VanDerWaalsContact CE-CG2 3.44Å; M108-V110 HydrophobicContact CG-CG2 4.33Å; M108-I120 HydrophobicContact CE-CG2 3.85Å; M108-I120 HydrophobicContact CG-CG2 4.15Å; M108-S121 CarbonylContact C-O 3.57Å; M108-S121 VanDerWaalsContact CA-O 3.31Å; M108-S121 WeakPolarHBondContact CA-O 3.48Å; M108-F122 HydrophobicContact CB-CD1 3.86Å; M108-F122 HydrophobicContact CB-CE1 3.62Å; M108-F122 HydrophobicContact CB-CZ 4.4Å; M108-F122 HydrophobicContact CG-CD1 4.19Å; M108-F122 HydrophobicContact CG-CE1 3.6Å; M108-F122 HydrophobicContact CG-CZ 3.87Å; M108-F122 HydrophobicContact SD-CE1 3.94Å; M108-F122 HydrophobicContact SD-CZ 4.03Å; M108-L161 HydrophobicContact CE-CD1 4.27Å; M108-L161 HydrophobicContact CE-CD2 4.06Å; M108-L163 HydrophobicContact CE-CD2 3.86Å; M108-L163 HydrophobicContact SD-CD2 4.2Å; M108-F168 HydrophobicContact SD-CE2 3.53Å; M108-F168 VanDerWaalsContact SD-CE2 3.53Å; M108-F168 HydrophobicContact SD-CZ 3.42Å; M108-F168 WeakPolarHBondContact SD-CZ 3.34Å; M108-M170 HydrophobicContact CE-CB 4.35Å; M108-M170 HydrophobicContact CE-SD 3.32Å; M108-M170 WeakPolarHBondContact CE-SD 3.3Å; M108-M170 HydrophobicContact SD-SD 4.17Å |
| 109 | K | 95.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 19% | 0.191 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.8 | 176.8 | 176 | -176.4 | 179.7 | -170.1 | 0 | 109.9 | Y85 V87 L111 I120 S121 Y123 | Y85-K109 HydrophobicContact CD2-CG 4.44Å; V87-K109 HydrophobicContact CG2-CB 4.47Å; V87-K109 HydrophobicContact CG2-CG 4.29Å; K109-L111 HydrophobicContact CD-CG 4.45Å; K109-L111 VanDerWaalsContact CE-CD2 3.47Å; K109-L111 HydrophobicContact CG-CD2 4.39Å; K109-L111 HydrophobicContact CG-CG 4.28Å; K109-I120 WeakPolarHBondContact O-CA 3.46Å; K109-S121 WeakPolarHBondContact CB-OG 3.39Å; K109-S121 PolarHBondContact N-O 3.24Å; K109-S121 PolarHBondContact O-N 2.92Å; K109-S121 PolarHBondContact O-OG 3.23Å; K109-S121 VanDerWaalsContact O-OG 3.13Å; K109-Y123 HydrophobicContact CB-CE1 4.04Å; K109-Y123 HydrophobicContact CD-CE1 4.47Å |
| 110 | V | 96.4 | Very high | 96 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.6 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 109 | Y85 F86 M108 M118 Q119 I120 L161 | Y85-V110 WeakPolarHBondContact CB-O 3.38Å; F86-V110 HydrophobicContact CB-CB 4.24Å; F86-V110 HydrophobicContact CD1-CB 4.36Å; F86-V110 HydrophobicContact CD1-CG2 4.02Å; F86-V110 PolarHBondContact N-O 3.27Å; F86-V110 VanDerWaalsContact N-O 3.15Å; F86-V110 PolarHBondContact O-N 3.02Å; M108-V110 HydrophobicContact CE-CG2 3.44Å; M108-V110 VanDerWaalsContact CE-CG2 3.44Å; M108-V110 HydrophobicContact CG-CG2 4.33Å; V110-M118 HydrophobicContact CG1-CE 3.29Å; V110-Q119 CarbonylContact C-O 3.46Å; V110-Q119 WeakPolarHBondContact CA-O 3.48Å; V110-I120 HydrophobicContact CG1-CG1 4.36Å; V110-I120 HydrophobicContact CG2-CG1 4.22Å; V110-I120 HydrophobicContact CG2-CG2 4.25Å; V110-L161 HydrophobicContact CB-CD2 4.34Å; V110-L161 HydrophobicContact CG1-CD2 4.16Å; V110-L161 HydrophobicContact CG2-CD2 3.73Å |
| 111 | L | 94 | Very high | 96.3 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.9 | 177.6 | -65.8 | -179.1 | 0 | 0 | 0 | 109.8 | Y85 K109 L113 M118 Q119 | Y85-L111 HydrophobicContact CD1-CD2 4.3Å; Y85-L111 HydrophobicContact CD2-CD2 3.89Å; Y85-L111 HydrophobicContact CG-CD2 3.67Å; K109-L111 HydrophobicContact CD-CG 4.45Å; K109-L111 VanDerWaalsContact CE-CD2 3.47Å; K109-L111 HydrophobicContact CG-CD2 4.39Å; K109-L111 HydrophobicContact CG-CG 4.28Å; L111-L113 HydrophobicContact CB-CD2 4.35Å; L111-L113 PolarHBondContact O-N 2.78Å; L111-M118 WeakPolarHBondContact O-CA 3.45Å; L111-Q119 HydrophobicContact CB-CB 4.31Å; L111-Q119 PolarHBondContact N-O 2.88Å; L111-Q119 PolarHBondContact O-N 3.27Å |
| 112 | P | 94.4 | Very high | 96.4 | Very high | 25 Ų | 25 | 28 Ų | 28 | 16% | 0.162 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126 | 161.8 | -20.6 | 35.2 | 0 | 0 | 0 | 109.5 | M83 M151 Y159 | M83-P112 HydrophobicContact CE-CB 4.45Å; M83-P112 HydrophobicContact CG-CG 4.26Å; M83-P112 HydrophobicContact SD-CB 3.25Å; M83-P112 WeakPolarHBondContact SD-CB 3.35Å; M83-P112 HydrophobicContact SD-CG 3.36Å; M83-P112 WeakPolarHBondContact SD-CG 3.33Å; P112-M151 HydrophobicContact CB-CE 3.61Å; P112-Y159 WeakPolarHBondContact CA-OH 3.24Å; P112-Y159 WeakPolarHBondContact CB-OH 3.49Å |
| 113 | L | 95.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -48.5 | 178.3 | -59.9 | -174.9 | 0 | 0 | 0 | 110.9 | L111 A117 Q119 L144 Y147 M151 F295 | L111-L113 HydrophobicContact CB-CD2 4.35Å; L111-L113 PolarHBondContact O-N 2.78Å; L113-A117 HydrophobicContact CB-CB 4.2Å; L113-A117 WeakPolarHBondContact CB-O 3.25Å; L113-A117 PolarHBondContact N-O 2.8Å; L113-Q119 HydrophobicContact CD1-CB 4.12Å; L113-Q119 HydrophobicContact CD2-CB 4.24Å; L113-Q119 HydrophobicContact CG-CB 4.22Å; L113-L144 HydrophobicContact CD1-CD2 4Å; L113-L144 HydrophobicContact CD2-CD2 3.7Å; L113-Y147 HydrophobicContact CB-CD2 3.83Å; L113-Y147 HydrophobicContact CB-CE2 4.41Å; L113-Y147 HydrophobicContact CB-CG 4.12Å; L113-Y147 HydrophobicContact CD1-CD2 4.23Å; L113-Y147 HydrophobicContact CD1-CE2 4.44Å; L113-Y147 HydrophobicContact CD2-CD2 4.18Å; L113-Y147 HydrophobicContact CG-CD2 4.3Å; L113-Y147 VanDerWaalsContact O-CB 3.28Å; L113-Y147 WeakPolarHBondContact O-CB 3.35Å; L113-M151 WeakPolarHBondContact O-CG 3.3Å; L113-F295 HydrophobicContact CD1-CD1 3.69Å; L113-F295 HydrophobicContact CD1-CE1 4.03Å |
| 114 | T | 95.9 | Very high | 96.5 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 179.2 | 171.4 | 73 | 0 | 0 | 0 | 0 | 108.8 | H116 A117 Y147 M151 Y159 | T114-H116 PolarHBondContact O-N 2.87Å; T114-H116 VanDerWaalsContact O-N 3.14Å; T114-H116 PolarHBondContact OG1-N 3.05Å; T114-H116 VanDerWaalsContact OG1-N 3.11Å; T114-A117 HydrophobicContact CG2-CB 4.48Å; T114-A117 PolarHBondContact N-O 3.29Å; T114-A117 PolarHBondContact O-N 3.01Å; T114-A117 WeakPolarHBondContact OG1-CB 3.46Å; T114-A117 PolarHBondContact OG1-N 2.62Å; T114-Y147 HydrophobicContact CG2-CD1 3.8Å; T114-Y147 HydrophobicContact CG2-CE1 3.77Å; T114-Y147 HydrophobicContact CG2-CG 4.49Å; T114-M151 VanDerWaalsContact CA-SD 3.55Å; T114-M151 VanDerWaalsContact O-CE 3.3Å; T114-M151 WeakPolarHBondContact O-CE 3.45Å; T114-Y159 WeakPolarHBondContact O-CE1 3.33Å; T114-Y159 PolarHBondContact O-OH 2.82Å |
| 115 | E | 95.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 23.3 Ų | 23.3 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.6 | 171 | -65 | -174.8 | 156 | 0 | 0 | 112.5 | E156 S158 Y159 | E115-E156 PolarHBondContact OE1-N 2.84Å; E115-S158 PolarHBondContact O-N 2.8Å; E115-S158 PolarHBondContact O-OG 3.31Å; E115-S158 VanDerWaalsContact O-OG 3.1Å; E115-Y159 WeakPolarHBondContact O-CE1 3.5Å |
| 116 | H | 97.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 29% | 0.292 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 8 | -177.4 | -54.5 | -47.8 | 0 | 0 | 0 | 113.8 | T114 S158 L298 | T114-H116 PolarHBondContact O-N 2.87Å; T114-H116 VanDerWaalsContact O-N 3.14Å; T114-H116 PolarHBondContact OG1-N 3.05Å; T114-H116 VanDerWaalsContact OG1-N 3.11Å; H116-S158 WeakPolarHBondContact ND1-CB 3.28Å; H116-S158 PolarHBondContact ND1-OG 3.14Å; H116-L298 HydrophobicContact CB-CB 4.32Å; H116-L298 WeakPolarHBondContact O-CB 3.41Å; H116-L298 WeakPolarHBondContact O-CD1 3.31Å; H116-L298 PolarHBondContact O-N 3.16Å |
| 117 | A | 97.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L113 T114 Y159 I296 F297 | L113-A117 HydrophobicContact CB-CB 4.2Å; L113-A117 WeakPolarHBondContact CB-O 3.25Å; L113-A117 PolarHBondContact N-O 2.8Å; T114-A117 HydrophobicContact CG2-CB 4.48Å; T114-A117 PolarHBondContact N-O 3.29Å; T114-A117 PolarHBondContact O-N 3.01Å; T114-A117 WeakPolarHBondContact OG1-CB 3.46Å; T114-A117 PolarHBondContact OG1-N 2.62Å; A117-Y159 PolarHBondContact O-OH 3.07Å; A117-I296 VanDerWaalsContact CA-O 3.23Å; A117-I296 WeakPolarHBondContact CA-O 3.19Å; A117-F297 HydrophobicContact CB-CD1 3.99Å; A117-F297 HydrophobicContact CB-CE1 4.48Å |
| 118 | M | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.6 | 176.2 | 66.4 | -176.6 | -52.6 | 0 | 0 | 112.1 | V110 L111 I120 Y159 V172 F295 I296 | V110-M118 HydrophobicContact CG1-CE 3.29Å; L111-M118 WeakPolarHBondContact O-CA 3.45Å; M118-I120 HydrophobicContact CE-CD1 4.06Å; M118-I120 HydrophobicContact CE-CG1 3.95Å; M118-Y159 HydrophobicContact CB-CE1 4.36Å; M118-Y159 HydrophobicContact CB-CE2 3.81Å; M118-Y159 HydrophobicContact CE-CD2 4.22Å; M118-Y159 HydrophobicContact CE-CE2 4.12Å; M118-Y159 HydrophobicContact CG-CE2 4.29Å; M118-Y159 HydrophobicContact SD-CD2 3.61Å; M118-Y159 HydrophobicContact SD-CE2 3.83Å; M118-Y159 HydrophobicContact SD-CG 4.14Å; M118-V172 HydrophobicContact SD-CG1 3.76Å; M118-V172 HydrophobicContact SD-CG2 3.98Å; M118-F295 WeakPolarHBondContact O-CA 3.37Å; M118-I296 HydrophobicContact CG-CB 3.94Å; M118-I296 HydrophobicContact CG-CD1 4.1Å; M118-I296 HydrophobicContact CG-CG1 4.39Å; M118-I296 PolarHBondContact N-O 2.89Å; M118-I296 PolarHBondContact O-N 3.39Å; M118-I296 HydrophobicContact SD-CD1 4.17Å |
| 119 | Q | 97.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.7 | 171 | -179.9 | -174 | 9.9 | 0 | 0 | 109.7 | V110 L111 L113 N293 M294 F295 | V110-Q119 CarbonylContact C-O 3.46Å; V110-Q119 WeakPolarHBondContact CA-O 3.48Å; L111-Q119 HydrophobicContact CB-CB 4.31Å; L111-Q119 PolarHBondContact N-O 2.88Å; L111-Q119 PolarHBondContact O-N 3.27Å; L113-Q119 HydrophobicContact CD1-CB 4.12Å; L113-Q119 HydrophobicContact CD2-CB 4.24Å; L113-Q119 HydrophobicContact CG-CB 4.22Å; Q119-N293 PolarHBondContact NE2-OD1 3.19Å; Q119-M294 CarbonylContact C-O 3.53Å; Q119-M294 WeakPolarHBondContact CA-O 3.23Å; Q119-F295 HydrophobicContact CB-CD1 3.79Å; Q119-F295 HydrophobicContact CB-CE1 3.69Å; Q119-F295 VanDerWaalsContact CD-CE1 3.47Å; Q119-F295 HydrophobicContact CG-CD1 3.92Å; Q119-F295 HydrophobicContact CG-CE1 3.47Å; Q119-F295 VanDerWaalsContact CG-CE1 3.47Å; Q119-F295 HydrophobicContact CG-CZ 3.93Å |
| 120 | I | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.1 | 167.1 | -54 | -177.8 | 0 | 0 | 0 | 107.6 | M108 K109 V110 M118 F122 L161 M170 V172 M294 I296 | M108-I120 HydrophobicContact CE-CG2 3.85Å; M108-I120 HydrophobicContact CG-CG2 4.15Å; K109-I120 WeakPolarHBondContact O-CA 3.46Å; V110-I120 HydrophobicContact CG1-CG1 4.36Å; V110-I120 HydrophobicContact CG2-CG1 4.22Å; V110-I120 HydrophobicContact CG2-CG2 4.25Å; M118-I120 HydrophobicContact CE-CD1 4.06Å; M118-I120 HydrophobicContact CE-CG1 3.95Å; I120-F122 HydrophobicContact CG2-CD2 4.4Å; I120-F122 HydrophobicContact CG2-CE2 3.67Å; I120-F122 HydrophobicContact CG2-CZ 4.01Å; I120-L161 HydrophobicContact CD1-CD1 4.28Å; I120-M170 HydrophobicContact CD1-CE 4.07Å; I120-M170 HydrophobicContact CD1-SD 3.77Å; I120-M170 HydrophobicContact CG2-CE 3.98Å; I120-M170 HydrophobicContact CG2-SD 4.02Å; I120-V172 HydrophobicContact CD1-CG2 3.92Å; I120-M294 HydrophobicContact CB-CB 4.49Å; I120-M294 HydrophobicContact CB-CE 4.15Å; I120-M294 HydrophobicContact CG2-CE 4.17Å; I120-M294 PolarHBondContact N-O 3.3Å; I120-M294 PolarHBondContact O-N 2.82Å; I120-I296 HydrophobicContact CD1-CD1 3.92Å; I120-I296 HydrophobicContact CG1-CD1 4.4Å |
| 121 | S | 96.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.8 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | M108 K109 F292 N293 | M108-S121 CarbonylContact C-O 3.57Å; M108-S121 VanDerWaalsContact CA-O 3.31Å; M108-S121 WeakPolarHBondContact CA-O 3.48Å; K109-S121 WeakPolarHBondContact CB-OG 3.39Å; K109-S121 PolarHBondContact N-O 3.24Å; K109-S121 PolarHBondContact O-N 2.92Å; K109-S121 PolarHBondContact O-OG 3.23Å; K109-S121 VanDerWaalsContact O-OG 3.13Å; S121-F292 CarbonylContact C-O 3.44Å; S121-F292 VanDerWaalsContact CA-O 3.26Å; S121-F292 WeakPolarHBondContact CA-O 3.39Å; S121-N293 WeakPolarHBondContact CB-OD1 3.2Å |
| 122 | F | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.8 | 173.8 | -61.3 | -92.3 | 0 | 0 | 0 | 110 | L90 Y107 M108 I120 F168 M170 F190 M192 F292 M294 | L90-F122 HydrophobicContact CD1-CD1 4.17Å; L90-F122 HydrophobicContact CD1-CE1 3.95Å; Y107-F122 WeakPolarHBondContact O-CA 3.36Å; M108-F122 HydrophobicContact CB-CD1 3.86Å; M108-F122 HydrophobicContact CB-CE1 3.62Å; M108-F122 HydrophobicContact CB-CZ 4.4Å; M108-F122 HydrophobicContact CG-CD1 4.19Å; M108-F122 HydrophobicContact CG-CE1 3.6Å; M108-F122 HydrophobicContact CG-CZ 3.87Å; M108-F122 HydrophobicContact SD-CE1 3.94Å; M108-F122 HydrophobicContact SD-CZ 4.03Å; I120-F122 HydrophobicContact CG2-CD2 4.4Å; I120-F122 HydrophobicContact CG2-CE2 3.67Å; I120-F122 HydrophobicContact CG2-CZ 4.01Å; F122-F168 AromaticContact CE1-CE1 3.81Å; F122-F168 HydrophobicContact CE1-CE1 3.81Å; F122-F168 AromaticContact CE1-CZ 3.75Å; F122-F168 HydrophobicContact CE1-CZ 3.75Å; F122-F168 HydrophobicContact CZ-CE1 4.18Å; F122-F168 AromaticContact CZ-CZ 4Å; F122-F168 HydrophobicContact CZ-CZ 4Å; F122-M170 HydrophobicContact CE2-CE 3.74Å; F122-M170 HydrophobicContact CZ-CE 3.62Å; F122-M170 HydrophobicContact CZ-SD 4.05Å; F122-F190 HydrophobicContact CD1-CE1 4.47Å; F122-F190 AromaticContact CD1-CZ 3.69Å; F122-F190 HydrophobicContact CD1-CZ 3.69Å; F122-F190 HydrophobicContact CE1-CE1 4.32Å; F122-F190 AromaticContact CE1-CZ 3.82Å; F122-F190 HydrophobicContact CE1-CZ 3.82Å; F122-F190 HydrophobicContact CG-CZ 4.27Å; F122-M192 HydrophobicContact CB-CE 4.23Å; F122-M192 HydrophobicContact CB-SD 3.52Å; F122-M192 VanDerWaalsContact CB-SD 3.52Å; F122-M192 HydrophobicContact CG-SD 4.45Å; F122-F292 HydrophobicContact CB-CB 4.44Å; F122-F292 AromaticContact CD2-CD1 3.7Å; F122-F292 HydrophobicContact CD2-CD1 3.7Å; F122-F292 HydrophobicContact CD2-CE1 4.26Å; F122-F292 HydrophobicContact CE2-CD1 4.39Å; F122-F292 PolarHBondContact N-O 3.12Å; F122-F292 PolarHBondContact O-N 2.86Å; F122-M294 HydrophobicContact CE2-CE 3.77Å |
| 123 | Y | 96.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 150.2 | 178.7 | 54.2 | -87.6 | 0 | 0 | 0 | 110.7 | Y107 K109 H130 | Y107-Y123 HydrophobicContact CD2-CD2 4.21Å; Y107-Y123 AromaticContact CD2-CE2 3.7Å; Y107-Y123 HydrophobicContact CD2-CE2 3.7Å; Y107-Y123 HydrophobicContact CG-CE2 4.27Å; Y107-Y123 PolarHBondContact N-O 2.83Å; Y107-Y123 PolarHBondContact O-N 3Å; Y107-Y123 VanDerWaalsContact O-N 3.14Å; K109-Y123 HydrophobicContact CB-CE1 4.04Å; K109-Y123 HydrophobicContact CD-CE1 4.47Å; Y123-H130 AromaticContact CD1-ND1 3.8Å; Y123-H130 AromaticContact CD2-CE1 3.72Å; Y123-H130 AromaticContact CD2-ND1 3.65Å; Y123-H130 AromaticContact CE1-ND1 3.83Å; Y123-H130 AromaticContact CE2-CE1 3.37Å; Y123-H130 WeakPolarHBondContact CE2-CE1 3.43Å; Y123-H130 AromaticContact CE2-ND1 3.67Å; Y123-H130 AromaticContact CG-ND1 3.72Å; Y123-H130 AromaticContact CZ-CE1 3.63Å; Y123-H130 AromaticContact CZ-ND1 3.77Å |
| 124 | P | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | trans | -76.6 | 155.7 | 176.3 | 36.4 | -39.9 | 0 | 0 | 0 | 111.2 | Y103 L106 E126 M127 | Y103-P124 HydrophobicContact CD1-CB 3.55Å; Y103-P124 HydrophobicContact CD1-CG 3.91Å; Y103-P124 HydrophobicContact CD2-CB 4.16Å; Y103-P124 HydrophobicContact CD2-CG 4.22Å; Y103-P124 HydrophobicContact CE1-CB 3.82Å; Y103-P124 HydrophobicContact CE1-CG 3.64Å; Y103-P124 HydrophobicContact CE2-CB 4.38Å; Y103-P124 HydrophobicContact CE2-CG 3.95Å; Y103-P124 HydrophobicContact CG-CB 3.74Å; Y103-P124 HydrophobicContact CG-CG 4.21Å; L106-P124 HydrophobicContact CD2-CB 4.17Å; P124-E126 HydrophobicContact CB-CG 4.47Å; P124-E126 HydrophobicContact CG-CG 4.36Å; P124-E126 PolarHBondContact O-N 2.99Å; P124-E126 VanDerWaalsContact O-N 3.16Å; P124-M127 HydrophobicContact CG-CB 3.71Å; P124-M127 HydrophobicContact CG-CE 4.24Å; P124-M127 WeakPolarHBondContact O-CB 3.35Å; P124-M127 PolarHBondContact O-N 3.46Å | ||
| 125 | P | 94 | Very high | 92.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.6 | -175.7 | -27.6 | 35 | 0 | 0 | 0 | 116.3 | E105 Y107 M127 | E105-P125 HydrophobicContact CB-CG 4.18Å; E105-P125 HydrophobicContact CG-CG 3.83Å; E105-P125 VanDerWaalsContact O-CD 3.26Å; E105-P125 WeakPolarHBondContact O-CD 3.38Å; Y107-P125 HydrophobicContact CD2-CB 4.26Å; Y107-P125 HydrophobicContact CD2-CG 4.16Å; Y107-P125 HydrophobicContact CE1-CG 4.45Å; Y107-P125 VanDerWaalsContact CE2-CA 3.47Å; Y107-P125 HydrophobicContact CE2-CB 3.5Å; Y107-P125 HydrophobicContact CE2-CG 3.67Å; P125-M127 VanDerWaalsContact C-N 3.32Å |
| 126 | E | 92.4 | Very high | 92.2 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.1 | 179.1 | 61.4 | -89.4 | -154.9 | 0 | 0 | 113.7 | Y103 P124 K128 | Y103-E126 WeakPolarHBondContact CD1-OE1 3.32Å; Y103-E126 VanDerWaalsContact CE1-OE1 3.31Å; Y103-E126 WeakPolarHBondContact CE1-OE1 3.39Å; P124-E126 HydrophobicContact CB-CG 4.47Å; P124-E126 HydrophobicContact CG-CG 4.36Å; P124-E126 PolarHBondContact O-N 2.99Å; P124-E126 VanDerWaalsContact O-N 3.16Å; E126-K128 PolarHBondContact O-N 3.34Å |
| 127 | M | 92 | Very high | 92 | Very high | 38 Ų | 38 | 42 Ų | 42 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | trans | -79.8 | 110.8 | -177.5 | -179.1 | 177.6 | -74.4 | 0 | 0 | 110.3 | P124 P125 D129 A291 | P124-M127 HydrophobicContact CG-CB 3.71Å; P124-M127 HydrophobicContact CG-CE 4.24Å; P124-M127 WeakPolarHBondContact O-CB 3.35Å; P124-M127 PolarHBondContact O-N 3.46Å; P125-M127 VanDerWaalsContact C-N 3.32Å; M127-D129 WeakPolarHBondContact CG-O 3.29Å; M127-A291 HydrophobicContact SD-CB 3.72Å | ||
| 128 | K | 83.5 | Confident | 91.8 | Very high | 197 Ų | 197 | 44.4 Ų | 44.4 | 86% | 0.857 | 24% | 0.236 | S | C | * | . | trans | -83 | -33.4 | 179.1 | -64.4 | -178.1 | -179.3 | 176.4 | 0 | 113.1 | E126 | E126-K128 PolarHBondContact O-N 3.34Š| ||
| 129 | D | 77.4 | Confident | 91.6 | Very high | 88 Ų | 88 | 45.4 Ų | 45.4 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | trans | -88.8 | 120.8 | 176.8 | -177.2 | 4.9 | 0 | 0 | 0 | 109.6 | M127 G131 | M127-D129 WeakPolarHBondContact CG-O 3.29Å; D129-G131 PolarHBondContact O-N 3.19Å; D129-G131 PolarHBondContact OD1-N 2.93Å | ||
| 130 | H | 84.2 | Confident | 91.6 | Very high | 74 Ų | 74 | 45 Ų | 45 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | trans | -89.3 | 18.1 | 179.2 | -55 | -53.1 | 0 | 0 | 0 | 112.7 | Y123 A291 N293 | Y123-H130 AromaticContact CD1-ND1 3.8Å; Y123-H130 AromaticContact CD2-CE1 3.72Å; Y123-H130 AromaticContact CD2-ND1 3.65Å; Y123-H130 AromaticContact CE1-ND1 3.83Å; Y123-H130 AromaticContact CE2-CE1 3.37Å; Y123-H130 WeakPolarHBondContact CE2-CE1 3.43Å; Y123-H130 AromaticContact CE2-ND1 3.67Å; Y123-H130 AromaticContact CG-ND1 3.72Å; Y123-H130 AromaticContact CZ-CE1 3.63Å; Y123-H130 AromaticContact CZ-ND1 3.77Å; H130-A291 VanDerWaalsContact O-CB 3.29Å; H130-A291 WeakPolarHBondContact O-CB 3.49Å; H130-N293 PolarHBondContact O-ND2 3.33Å | ||
| 131 | G | 83.9 | Confident | 91.5 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 91.8 | -10.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D129 F267 | D129-G131 PolarHBondContact O-N 3.19Å; D129-G131 PolarHBondContact OD1-N 2.93Å; G131-F267 WeakPolarHBondContact O-CE1 3.22Å |
| 132 | I | 89.2 | Confident | 91.4 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | trans | -107.1 | 92 | -177.9 | -54.2 | 175.6 | 0 | 0 | 0 | 108.3 | P134 M140 L144 F267 F295 | I132-P134 WeakPolarHBondContact O-CD 3.48Å; I132-M140 HydrophobicContact CD1-SD 4.21Å; I132-M140 HydrophobicContact CG1-SD 4.44Å; I132-M140 HydrophobicContact CG2-CG 4.3Å; I132-M140 HydrophobicContact CG2-SD 4.21Å; I132-L144 HydrophobicContact CD1-CD1 3.41Å; I132-L144 VanDerWaalsContact CD1-CD1 3.41Å; I132-L144 HydrophobicContact CG2-CD1 4.4Å; I132-F267 HydrophobicContact CG1-CD1 4.14Å; I132-F267 HydrophobicContact CG1-CE1 3.86Å; I132-F295 HydrophobicContact CD1-CE2 4.45Å; I132-F295 HydrophobicContact CD1-CZ 3.79Å | ||
| 133 | N | 91 | Very high | 91.4 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | trans | -85.9 | 116.4 | 179.2 | -171.1 | -35.7 | 0 | 0 | 0 | 110.4 | T135 I136 L137 | N133-T135 PolarHBondContact O-N 2.96Å; N133-T135 VanDerWaalsContact O-N 3.14Å; N133-T135 VanDerWaalsContact OD1-CB 3.27Å; N133-T135 WeakPolarHBondContact OD1-CB 3.42Å; N133-T135 PolarHBondContact OD1-N 2.79Å; N133-T135 PolarHBondContact OD1-OG1 2.93Å; N133-I136 HydrophobicContact CB-CB 4.49Å; N133-I136 HydrophobicContact CB-CD1 4.16Å; N133-I136 HydrophobicContact CB-CG1 4.21Å; N133-I136 PolarHBondContact O-N 3.17Å; N133-L137 PolarHBondContact O-N 2.7Å | ||
| 134 | P | 92.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.4 | -179.3 | -23.4 | 34.3 | 0 | 0 | 0 | 114.6 | I132 I136 P138 A141 | I132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-I136 VanDerWaalsContact C-N 3.31Å; P134-P138 VanDerWaalsContact O-CA 3.26Å; P134-P138 WeakPolarHBondContact O-CA 3.48Å; P134-P138 WeakPolarHBondContact O-CB 3.19Å; P134-P138 WeakPolarHBondContact O-CD 3.46Å; P134-A141 HydrophobicContact CB-CB 3.93Å; P134-A141 HydrophobicContact CG-CB 3.96Å |
| 135 | T | 90 | Very high | 91.1 | Very high | 84 Ų | 84 | 58 Ų | 58 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -33.6 | 174.9 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | N133 L520 | N133-T135 PolarHBondContact O-N 2.96Å; N133-T135 VanDerWaalsContact O-N 3.14Å; N133-T135 VanDerWaalsContact OD1-CB 3.27Å; N133-T135 WeakPolarHBondContact OD1-CB 3.42Å; N133-T135 PolarHBondContact OD1-N 2.79Å; N133-T135 PolarHBondContact OD1-OG1 2.93Å; T135-L520 HydrophobicContact CG2-CD1 3.95Å |
| 136 | I | 91.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -38.1 | -178.3 | -53 | 178 | 0 | 0 | 0 | 110.5 | N133 P134 P138 L520 L526 V529 L532 I536 | N133-I136 HydrophobicContact CB-CB 4.49Å; N133-I136 HydrophobicContact CB-CD1 4.16Å; N133-I136 HydrophobicContact CB-CG1 4.21Å; N133-I136 PolarHBondContact O-N 3.17Å; P134-I136 VanDerWaalsContact C-N 3.31Å; I136-P138 VanDerWaalsContact C-CD 3.45Å; I136-P138 WeakPolarHBondContact O-CD 3.37Å; I136-L520 HydrophobicContact CD1-CD1 3.78Å; I136-L520 HydrophobicContact CG1-CD1 3.63Å; I136-L526 HydrophobicContact CD1-CD2 3.58Å; I136-V529 HydrophobicContact CD1-CG2 4.07Å; I136-V529 HydrophobicContact CG2-CB 3.74Å; I136-V529 HydrophobicContact CG2-CG1 4.04Å; I136-V529 HydrophobicContact CG2-CG2 4.02Å; I136-L532 HydrophobicContact CG2-CD2 4.27Å; I136-I536 WeakPolarHBondContact O-CD1 3.2Å |
| 137 | L | 94 | Very high | 91.2 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | trans | -128.6 | 64.2 | -173.4 | -69 | 160.9 | 0 | 0 | 0 | 111.6 | N133 H139 M140 A141 F267 L532 V560 | N133-L137 PolarHBondContact O-N 2.7Å; L137-H139 PolarHBondContact O-N 3.38Å; L137-M140 HydrophobicContact CB-CB 4.17Å; L137-M140 PolarHBondContact O-N 2.83Å; L137-A141 PolarHBondContact O-N 3.31Å; L137-A141 VanDerWaalsContact O-N 3.11Å; L137-F267 HydrophobicContact CD1-CE1 4.26Å; L137-F267 HydrophobicContact CD1-CE2 3.45Å; L137-F267 VanDerWaalsContact CD1-CE2 3.45Å; L137-F267 HydrophobicContact CD1-CZ 3.13Å; L137-L532 HydrophobicContact CD2-CD2 3.7Å; L137-L532 HydrophobicContact CG-CD2 4.41Å; L137-V560 WeakPolarHBondContact CD2-O 3.31Å | ||
| 138 | P | 92.7 | Very high | 91 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | -174.4 | 22.7 | -33.4 | 0 | 0 | 0 | 112.7 | P134 I136 A141 E142 | P134-P138 VanDerWaalsContact O-CA 3.26Å; P134-P138 WeakPolarHBondContact O-CA 3.48Å; P134-P138 WeakPolarHBondContact O-CB 3.19Å; P134-P138 WeakPolarHBondContact O-CD 3.46Å; I136-P138 VanDerWaalsContact C-CD 3.45Å; I136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-A141 PolarHBondContact O-N 3.42Å; P138-E142 WeakPolarHBondContact O-CB 3.38Å; P138-E142 PolarHBondContact O-N 2.59Å |
| 139 | H | 94.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 11% | 0.111 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 180 | -178.9 | 88 | 0 | 0 | 0 | 112.2 | L137 A141 E142 S143 D311 L312 I313 G314 R564 | L137-H139 PolarHBondContact O-N 3.38Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 PolarHBondContact O-N 3.19Å; H139-E142 CarbonylContact O-C 3.52Å; H139-E142 WeakPolarHBondContact O-CA 3.45Å; H139-E142 WeakPolarHBondContact O-CB 3.38Å; H139-E142 PolarHBondContact O-N 2.66Å; H139-E142 VanDerWaalsContact O-N 3.09Å; H139-S143 PolarHBondContact NE2-OG 3.45Å; H139-S143 VanDerWaalsContact NE2-OG 3.07Å; H139-S143 PolarHBondContact O-N 3.42Å; H139-S143 PolarHBondContact O-OG 3.42Å; H139-D311 PolarHBondContact NE2-O 3.3Å; H139-L312 PolarHBondContact CD2-O 3.25Å; H139-I313 VanDerWaalsContact CD2-C 3.42Å; H139-G314 WeakPolarHBondContact CD2-CA 3.33Å; H139-G314 PolarHBondContact CD2-N 3.35Å; H139-G314 VanDerWaalsContact NE2-CA 3.35Å; H139-G314 WeakPolarHBondContact NE2-CA 3.26Å; H139-G314 PolarHBondContact NE2-N 3.33Å; H139-R564 PolarHBondContact ND1-NH1 3.02Å; H139-R564 VanDerWaalsContact ND1-NH1 3.13Å |
| 140 | M | 95.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.6 | -173.1 | -179.6 | -75.4 | 0 | 0 | 111.1 | I132 L137 E142 S143 L144 L265 F267 L312 I313 V560 | I132-M140 HydrophobicContact CD1-SD 4.21Å; I132-M140 HydrophobicContact CG1-SD 4.44Å; I132-M140 HydrophobicContact CG2-CG 4.3Å; I132-M140 HydrophobicContact CG2-SD 4.21Å; L137-M140 HydrophobicContact CB-CB 4.17Å; L137-M140 PolarHBondContact O-N 2.83Å; M140-E142 VanDerWaalsContact C-N 3.32Å; M140-E142 PolarHBondContact O-N 2.91Å; M140-S143 PolarHBondContact O-N 2.53Å; M140-L144 HydrophobicContact CG-CD1 4.24Å; M140-L144 WeakPolarHBondContact O-CB 3.41Å; M140-L144 VanDerWaalsContact O-CG 3.24Å; M140-L144 WeakPolarHBondContact O-CG 3.43Å; M140-L144 PolarHBondContact O-N 2.97Å; M140-L265 HydrophobicContact CE-CD2 4.3Å; M140-F267 HydrophobicContact CE-CD2 3.98Å; M140-F267 HydrophobicContact CE-CE2 4.08Å; M140-F267 HydrophobicContact SD-CD2 4.17Å; M140-F267 HydrophobicContact SD-CE2 4.1Å; M140-F267 HydrophobicContact SD-CZ 4.47Å; M140-L312 WeakPolarHBondContact CA-O 3.43Å; M140-L312 HydrophobicContact CE-CD2 4.47Å; M140-L312 HydrophobicContact CE-CG 4.38Å; M140-L312 HydrophobicContact CG-CD1 4.01Å; M140-L312 HydrophobicContact CG-CG 4.25Å; M140-I313 HydrophobicContact CE-CB 4.43Å; M140-I313 HydrophobicContact CE-CG2 3.8Å; M140-V560 HydrophobicContact CE-CG1 3.93Å |
| 141 | A | 95.2 | Very high | 92 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 21% | 0.207 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P134 L137 P138 H139 K145 | P134-A141 HydrophobicContact CB-CB 3.93Å; P134-A141 HydrophobicContact CG-CB 3.96Å; L137-A141 PolarHBondContact O-N 3.31Å; L137-A141 VanDerWaalsContact O-N 3.11Å; P138-A141 PolarHBondContact O-N 3.42Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 PolarHBondContact O-N 3.19Å; A141-K145 PolarHBondContact O-N 3.35Å; A141-K145 VanDerWaalsContact O-N 3.16Å |
| 142 | E | 95.7 | Very high | 92.3 | Very high | 120 Ų | 120 | 51.9 Ų | 51.9 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.3 | -48.1 | 175.3 | -174.9 | 175.8 | -174 | 0 | 0 | 112.4 | P138 H139 M140 L144 K145 R146 | P138-E142 WeakPolarHBondContact O-CB 3.38Å; P138-E142 PolarHBondContact O-N 2.59Å; H139-E142 CarbonylContact O-C 3.52Å; H139-E142 WeakPolarHBondContact O-CA 3.45Å; H139-E142 WeakPolarHBondContact O-CB 3.38Å; H139-E142 PolarHBondContact O-N 2.66Å; H139-E142 VanDerWaalsContact O-N 3.09Å; M140-E142 VanDerWaalsContact C-N 3.32Å; M140-E142 PolarHBondContact O-N 2.91Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 2.96Å; E142-K145 WeakPolarHBondContact O-CB 2.97Å; E142-K145 PolarHBondContact O-N 3.49Å; E142-K145 VanDerWaalsContact O-N 3.14Å; E142-R146 PolarHBondContact O-N 3.1Å |
| 143 | S | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 177 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | H139 M140 K145 R146 Y147 D311 | H139-S143 PolarHBondContact NE2-OG 3.45Å; H139-S143 VanDerWaalsContact NE2-OG 3.07Å; H139-S143 PolarHBondContact O-N 3.42Å; H139-S143 PolarHBondContact O-OG 3.42Å; M140-S143 PolarHBondContact O-N 2.53Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 PolarHBondContact O-N 3.29Å; S143-R146 WeakPolarHBondContact O-CA 3.43Å; S143-R146 VanDerWaalsContact O-CB 3.27Å; S143-R146 WeakPolarHBondContact O-CB 3.31Å; S143-R146 PolarHBondContact O-N 2.97Å; S143-R146 VanDerWaalsContact O-N 3.08Å; S143-R146 PolarHBondContact OG-NH2 3.09Å; S143-Y147 WeakPolarHBondContact O-CD2 3.48Å; S143-Y147 VanDerWaalsContact O-CG 3.23Å; S143-Y147 PolarHBondContact O-N 3.01Å; S143-D311 PolarHBondContact OG-O 3.4Å |
| 144 | L | 94.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | 176.9 | -68.9 | 172.2 | 0 | 0 | 0 | 112.6 | L113 I132 M140 E142 Y147 Q148 F295 L312 | L113-L144 HydrophobicContact CD1-CD2 4Å; L113-L144 HydrophobicContact CD2-CD2 3.7Å; I132-L144 HydrophobicContact CD1-CD1 3.41Å; I132-L144 VanDerWaalsContact CD1-CD1 3.41Å; I132-L144 HydrophobicContact CG2-CD1 4.4Å; M140-L144 HydrophobicContact CG-CD1 4.24Å; M140-L144 WeakPolarHBondContact O-CB 3.41Å; M140-L144 VanDerWaalsContact O-CG 3.24Å; M140-L144 WeakPolarHBondContact O-CG 3.43Å; M140-L144 PolarHBondContact O-N 2.97Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 2.96Å; L144-Y147 HydrophobicContact CD2-CD2 4.42Å; L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.35Å; L144-Q148 PolarHBondContact O-N 2.91Å; L144-F295 HydrophobicContact CD1-CZ 4.47Å; L144-F295 HydrophobicContact CD2-CE1 3.81Å; L144-F295 HydrophobicContact CD2-CZ 4.48Å; L144-L312 HydrophobicContact CD2-CD1 3.82Å; L144-L312 HydrophobicContact CG-CD1 4.08Å |
| 145 | K | 93.2 | Very high | 91.7 | Very high | 141 Ų | 141 | 55.7 Ų | 55.7 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 173.3 | -174.5 | -179 | 177.9 | -174.9 | 0 | 111.1 | A141 E142 S143 Q148 L149 | A141-K145 PolarHBondContact O-N 3.35Å; A141-K145 VanDerWaalsContact O-N 3.16Å; E142-K145 WeakPolarHBondContact O-CB 2.97Å; E142-K145 PolarHBondContact O-N 3.49Å; E142-K145 VanDerWaalsContact O-N 3.14Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 PolarHBondContact O-N 3.29Å; K145-Q148 PolarHBondContact O-N 3.29Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 3.44Å |
| 146 | R | 94.7 | Very high | 91.8 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -51 | 176.5 | -130.3 | -164 | -33.7 | 127 | -3.6 | 111.6 | E142 S143 Q148 L149 E150 D311 | E142-R146 PolarHBondContact O-N 3.1Å; S143-R146 WeakPolarHBondContact O-CA 3.43Å; S143-R146 VanDerWaalsContact O-CB 3.27Å; S143-R146 WeakPolarHBondContact O-CB 3.31Å; S143-R146 PolarHBondContact O-N 2.97Å; S143-R146 VanDerWaalsContact O-N 3.08Å; S143-R146 PolarHBondContact OG-NH2 3.09Å; R146-Q148 VanDerWaalsContact C-N 3.3Å; R146-Q148 PolarHBondContact O-N 3.42Å; R146-L149 CarbonylContact O-C 3.57Å; R146-L149 WeakPolarHBondContact O-CA 3.39Å; R146-L149 WeakPolarHBondContact O-CB 3.27Å; R146-L149 PolarHBondContact O-N 2.8Å; R146-E150 WeakPolarHBondContact CD-OE1 3.18Å; R146-E150 PolarHBondContact O-N 3.42Å; R146-D311 IonicContact CZ-OD1 3.65Å; R146-D311 IonicContact NH1-OD1 3.89Å; R146-D311 PolarHBondContact NH1-OD1 2.96Å; R146-D311 IonicContact NH1-OD2 3.58Å; R146-D311 IonicContact NH2-OD1 2.82Å; R146-D311 PolarHBondContact NH2-OD1 3.46Å; R146-D311 IonicContact NH2-OD2 3.32Å |
| 147 | Y | 93.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 60 Ų | 60 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 179.3 | -66.3 | -31.7 | 0 | 0 | 0 | 113 | L113 T114 S143 L144 L149 E150 M151 D311 L312 | L113-Y147 HydrophobicContact CB-CD2 3.83Å; L113-Y147 HydrophobicContact CB-CE2 4.41Å; L113-Y147 HydrophobicContact CB-CG 4.12Å; L113-Y147 HydrophobicContact CD1-CD2 4.23Å; L113-Y147 HydrophobicContact CD1-CE2 4.44Å; L113-Y147 HydrophobicContact CD2-CD2 4.18Å; L113-Y147 HydrophobicContact CG-CD2 4.3Å; L113-Y147 VanDerWaalsContact O-CB 3.28Å; L113-Y147 WeakPolarHBondContact O-CB 3.35Å; T114-Y147 HydrophobicContact CG2-CD1 3.8Å; T114-Y147 HydrophobicContact CG2-CE1 3.77Å; T114-Y147 HydrophobicContact CG2-CG 4.49Å; S143-Y147 WeakPolarHBondContact O-CD2 3.48Å; S143-Y147 VanDerWaalsContact O-CG 3.23Å; S143-Y147 PolarHBondContact O-N 3.01Å; L144-Y147 HydrophobicContact CD2-CD2 4.42Å; Y147-L149 PolarHBondContact O-N 3.49Å; Y147-E150 PolarHBondContact O-N 3.32Å; Y147-M151 PolarHBondContact O-N 2.76Å; Y147-D311 WeakPolarHBondContact CE1-OD2 3.42Å; Y147-D311 PolarHBondContact OH-OD2 3.49Å; Y147-L312 HydrophobicContact CE2-CD1 4Å; Y147-L312 PolarHBondContact OH-N 3.44Å |
| 148 | Q | 87.3 | Confident | 92 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -23.4 | 173.9 | -71.7 | 173.4 | 11.9 | 0 | 0 | 113.3 | R82 L144 K145 R146 | R82-Q148 WeakPolarHBondContact CD-O 3.3Å; L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.35Å; L144-Q148 PolarHBondContact O-N 2.91Å; K145-Q148 PolarHBondContact O-N 3.29Å; R146-Q148 VanDerWaalsContact C-N 3.3Å; R146-Q148 PolarHBondContact O-N 3.42Å |
| 149 | L | 88.3 | Confident | 92.2 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -91.9 | -23.6 | 177.4 | -61.8 | 171.8 | 0 | 0 | 0 | 113.3 | R82 K145 R146 Y147 | R82-L149 VanDerWaalsContact NH1-C 3.31Å; R82-L149 PolarHBondContact NH1-O 2.95Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 3.44Å; R146-L149 CarbonylContact O-C 3.57Å; R146-L149 WeakPolarHBondContact O-CA 3.39Å; R146-L149 WeakPolarHBondContact O-CB 3.27Å; R146-L149 PolarHBondContact O-N 2.8Å; Y147-L149 PolarHBondContact O-N 3.49Å |
| 150 | E | 89 | Confident | 92.3 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -89.5 | -34.3 | -178.3 | -71.5 | 170.2 | -172.9 | 0 | 0 | 112.2 | R146 Y147 T152 | R146-E150 WeakPolarHBondContact CD-OE1 3.18Å; R146-E150 PolarHBondContact O-N 3.42Å; Y147-E150 PolarHBondContact O-N 3.32Å; E150-T152 PolarHBondContact O-N 2.72Å |
| 151 | M | 89.4 | Confident | 92.3 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | trans | -73.9 | 122.7 | 180 | -70.7 | -70.1 | -93.4 | 0 | 0 | 112.2 | M83 P112 L113 T114 Y147 | M83-M151 HydrophobicContact CB-CB 4.19Å; M83-M151 HydrophobicContact CE-CE 3.15Å; M83-M151 HydrophobicContact CE-SD 4Å; M83-M151 PolarHBondContact N-O 2.81Å; M83-M151 HydrophobicContact SD-CE 3.68Å; P112-M151 HydrophobicContact CB-CE 3.61Å; L113-M151 WeakPolarHBondContact O-CG 3.3Å; T114-M151 VanDerWaalsContact CA-SD 3.55Å; T114-M151 VanDerWaalsContact O-CE 3.3Å; T114-M151 WeakPolarHBondContact O-CE 3.45Å; Y147-M151 PolarHBondContact O-N 2.76Å | ||
| 152 | T | 88.8 | Confident | 92.4 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | trans | -117.2 | 172.1 | -178.5 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | E150 G154 S155 | E150-T152 PolarHBondContact O-N 2.72Å; T152-G154 PolarHBondContact O-N 3.48Å; T152-G154 PolarHBondContact OG1-N 3.41Å; T152-S155 PolarHBondContact N-OG 2.84Å; T152-S155 WeakPolarHBondContact O-CB 3.47Å; T152-S155 PolarHBondContact O-N 3.29Å; T152-S155 PolarHBondContact O-OG 2.89Å | ||
| 153 | E | 83.6 | Confident | 92.5 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.3 | 176.6 | -174.5 | 170.2 | -158.1 | 0 | 0 | 113.4 | Q78 | Q78-E153 PolarHBondContact NE2-OE1 3.44Š|
| 154 | G | 86.3 | Confident | 92.5 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | T152 | T152-G154 PolarHBondContact O-N 3.48Å; T152-G154 PolarHBondContact OG1-N 3.41Å |
| 155 | S | 90.5 | Very high | 92.5 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | trans | -71.9 | 141.8 | 177 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | T152 P157 | T152-S155 PolarHBondContact N-OG 2.84Å; T152-S155 WeakPolarHBondContact O-CB 3.47Å; T152-S155 PolarHBondContact O-N 3.29Å; T152-S155 PolarHBondContact O-OG 2.89Å; S155-P157 WeakPolarHBondContact O-CD 3.13Å | ||
| 156 | E | 92 | Very high | 92.5 | Very high | 156 Ų | 156 | 71.7 Ų | 71.7 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | trans | -113.7 | 94.9 | -175 | -67.9 | -174.2 | 174.4 | 0 | 0 | 110.9 | E115 S158 | E115-E156 PolarHBondContact OE1-N 2.84Å; E156-S158 PolarHBondContact O-N 2.86Å | ||
| 157 | P | 94.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 20% | 0.201 | 35% | 0.352 | C | S | . | . | trans | -58.1 | 129.7 | 177.3 | -25.7 | 34.9 | 0 | 0 | 0 | 112.3 | M83 S155 Y159 Q175 | M83-P157 HydrophobicContact CE-CG 3.9Å; M83-P157 HydrophobicContact SD-CG 4Å; S155-P157 WeakPolarHBondContact O-CD 3.13Å; P157-Y159 HydrophobicContact CB-CD1 4.14Å; P157-Y159 HydrophobicContact CB-CD2 4Å; P157-Y159 HydrophobicContact CB-CE1 3.9Å; P157-Y159 HydrophobicContact CB-CE2 3.73Å; P157-Y159 HydrophobicContact CB-CG 4.2Å; P157-Y159 HydrophobicContact CG-CE2 4.47Å; P157-Y159 PolarHBondContact O-N 2.98Å; P157-Q175 PolarHBondContact O-NE2 2.98Å; P157-Q175 PolarHBondContact O-OE1 2.8Å; P157-Q175 VanDerWaalsContact O-OE1 3.11Å | ||
| 158 | S | 96.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.1 | 11 | 174.7 | 75 | 0 | 0 | 0 | 0 | 113.4 | E115 H116 E156 Q175 | E115-S158 PolarHBondContact O-N 2.8Å; E115-S158 PolarHBondContact O-OG 3.31Å; E115-S158 VanDerWaalsContact O-OG 3.1Å; H116-S158 WeakPolarHBondContact ND1-CB 3.28Å; H116-S158 PolarHBondContact ND1-OG 3.14Å; E156-S158 PolarHBondContact O-N 2.86Å; S158-Q175 PolarHBondContact O-N 3.4Å |
| 159 | Y | 96.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.5 | -177.7 | 46.6 | -91.7 | 0 | 0 | 0 | 112.5 | P112 T114 E115 A117 M118 P157 L173 Q175 L298 | P112-Y159 WeakPolarHBondContact CA-OH 3.24Å; P112-Y159 WeakPolarHBondContact CB-OH 3.49Å; T114-Y159 WeakPolarHBondContact O-CE1 3.33Å; T114-Y159 PolarHBondContact O-OH 2.82Å; E115-Y159 WeakPolarHBondContact O-CE1 3.5Å; A117-Y159 PolarHBondContact O-OH 3.07Å; M118-Y159 HydrophobicContact CB-CE1 4.36Å; M118-Y159 HydrophobicContact CB-CE2 3.81Å; M118-Y159 HydrophobicContact CE-CD2 4.22Å; M118-Y159 HydrophobicContact CE-CE2 4.12Å; M118-Y159 HydrophobicContact CG-CE2 4.29Å; M118-Y159 HydrophobicContact SD-CD2 3.61Å; M118-Y159 HydrophobicContact SD-CE2 3.83Å; M118-Y159 HydrophobicContact SD-CG 4.14Å; P157-Y159 HydrophobicContact CB-CD1 4.14Å; P157-Y159 HydrophobicContact CB-CD2 4Å; P157-Y159 HydrophobicContact CB-CE1 3.9Å; P157-Y159 HydrophobicContact CB-CE2 3.73Å; P157-Y159 HydrophobicContact CB-CG 4.2Å; P157-Y159 HydrophobicContact CG-CE2 4.47Å; P157-Y159 PolarHBondContact O-N 2.98Å; Y159-L173 CarbonylContact C-O 3.5Å; Y159-L173 WeakPolarHBondContact CA-O 3.1Å; Y159-Q175 PolarHBondContact O-NE2 2.83Å; Y159-L298 HydrophobicContact CD1-CD1 3.78Å; Y159-L298 HydrophobicContact CD1-CD2 4.06Å; Y159-L298 HydrophobicContact CG-CD1 4.34Å; Y159-L298 HydrophobicContact CG-CD2 4.34Å |
| 160 | E | 96.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.9 | 172.6 | -170.7 | -164.8 | 154.2 | 0 | 0 | 109.3 | R162 V172 L173 Q175 | E160-R162 HydrophobicContact CG-CG 4.44Å; E160-R162 VanDerWaalsContact OE1-CG 3.32Å; E160-R162 WeakPolarHBondContact OE1-CG 3.38Å; E160-R162 IonicContact OE1-CZ 3.35Å; E160-R162 IonicContact OE1-NE 3.69Å; E160-R162 PolarHBondContact OE1-NE 2.85Å; E160-R162 IonicContact OE1-NH2 3.96Å; E160-R162 PolarHBondContact OE1-NH2 2.77Å; E160-R162 IonicContact OE2-CZ 3.73Å; E160-R162 IonicContact OE2-NE 2.99Å; E160-R162 PolarHBondContact OE2-NE 2.94Å; E160-R162 IonicContact OE2-NH2 2.74Å; E160-R162 PolarHBondContact OE2-NH2 3.39Å; E160-V172 CarbonylContact O-C 3.38Å; E160-V172 WeakPolarHBondContact O-CA 3.13Å; E160-L173 HydrophobicContact CB-CB 4.43Å; E160-L173 PolarHBondContact N-O 3.34Å; E160-L173 PolarHBondContact O-N 2.57Å; E160-Q175 HydrophobicContact CB-CG 4.32Å |
| 161 | L | 96.3 | Very high | 94 | Very high | 44 Ų | 44 | 54.5 Ų | 54.5 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 123.6 | 169.4 | 178 | 73.1 | 0 | 0 | 0 | 109.9 | F86 M108 V110 I120 L163 M170 A171 V172 | F86-L161 HydrophobicContact CD1-CD2 4.36Å; M108-L161 HydrophobicContact CE-CD1 4.27Å; M108-L161 HydrophobicContact CE-CD2 4.06Å; V110-L161 HydrophobicContact CB-CD2 4.34Å; V110-L161 HydrophobicContact CG1-CD2 4.16Å; V110-L161 HydrophobicContact CG2-CD2 3.73Å; I120-L161 HydrophobicContact CD1-CD1 4.28Å; L161-L163 HydrophobicContact CD1-CD2 4.25Å; L161-L163 HydrophobicContact CD2-CD2 4.14Å; L161-L163 HydrophobicContact CD2-CG 4.35Å; L161-L163 HydrophobicContact CG-CD2 4.14Å; L161-L163 HydrophobicContact CG-CG 4.34Å; L161-M170 HydrophobicContact CD1-CB 4.16Å; L161-M170 HydrophobicContact CD1-SD 4.46Å; L161-A171 WeakPolarHBondContact CA-O 3.44Å; L161-V172 HydrophobicContact CD1-CG2 3.98Å |
| 162 | R | 96.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | 171.5 | -67.3 | -175 | -179.5 | 164.4 | 9.7 | 110.8 | E160 M170 A171 L173 | E160-R162 HydrophobicContact CG-CG 4.44Å; E160-R162 VanDerWaalsContact OE1-CG 3.32Å; E160-R162 WeakPolarHBondContact OE1-CG 3.38Å; E160-R162 IonicContact OE1-CZ 3.35Å; E160-R162 IonicContact OE1-NE 3.69Å; E160-R162 PolarHBondContact OE1-NE 2.85Å; E160-R162 IonicContact OE1-NH2 3.96Å; E160-R162 PolarHBondContact OE1-NH2 2.77Å; E160-R162 IonicContact OE2-CZ 3.73Å; E160-R162 IonicContact OE2-NE 2.99Å; E160-R162 PolarHBondContact OE2-NE 2.94Å; E160-R162 IonicContact OE2-NH2 2.74Å; E160-R162 PolarHBondContact OE2-NH2 3.39Å; R162-M170 CarbonylContact O-C 3.52Å; R162-M170 VanDerWaalsContact O-CA 3.25Å; R162-M170 WeakPolarHBondContact O-CA 3.48Å; R162-A171 HydrophobicContact CB-CB 4.49Å; R162-A171 PolarHBondContact N-O 3.04Å; R162-A171 PolarHBondContact O-N 3.03Å; R162-L173 HydrophobicContact CB-CD1 4.21Å; R162-L173 HydrophobicContact CG-CD1 3.79Å |
| 163 | L | 96.9 | Very high | 94.9 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.8 | -179.6 | -61.4 | 176.7 | 0 | 0 | 0 | 111.5 | F86 M108 L161 F168 M170 | F86-L163 HydrophobicContact CD1-CD1 4.33Å; F86-L163 HydrophobicContact CE1-CD1 3.31Å; F86-L163 HydrophobicContact CE2-CD1 4.04Å; F86-L163 HydrophobicContact CZ-CD1 3.12Å; M108-L163 HydrophobicContact CE-CD2 3.86Å; M108-L163 HydrophobicContact SD-CD2 4.2Å; L161-L163 HydrophobicContact CD1-CD2 4.25Å; L161-L163 HydrophobicContact CD2-CD2 4.14Å; L161-L163 HydrophobicContact CD2-CG 4.35Å; L161-L163 HydrophobicContact CG-CD2 4.14Å; L161-L163 HydrophobicContact CG-CG 4.34Å; L163-F168 HydrophobicContact CD2-CE2 4.25Å; L163-M170 HydrophobicContact CD2-CB 3.64Å |
| 164 | T | 96.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.6 | 164 | -56.9 | 0 | 0 | 0 | 0 | 108.1 | P167 F168 G169 R185 | T164-P167 WeakPolarHBondContact CG2-O 3.41Å; T164-F168 WeakPolarHBondContact O-CA 3.34Å; T164-G169 PolarHBondContact N-O 3.45Å; T164-G169 PolarHBondContact O-N 3.32Å; T164-R185 WeakPolarHBondContact OG1-CD 3.46Å; T164-R185 WeakPolarHBondContact OG1-CG 3.18Å |
| 165 | R | 95 | Very high | 96.1 | Very high | 164 Ų | 164 | 47.5 Ų | 47.5 | 62% | 0.619 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -44.6 | -172 | -70.3 | -172.7 | 173.6 | -144.3 | -1.5 | 114.2 | Y70 V71 P167 | Y70-R165 CarbonylContact C-O 3.53Å; Y70-R165 VanDerWaalsContact CA-O 3.28Å; Y70-R165 WeakPolarHBondContact CA-O 3.47Å; Y70-R165 WeakPolarHBondContact CB-O 3.4Å; V71-R165 HydrophobicContact CB-CB 4.24Å; V71-R165 HydrophobicContact CB-CG 4.23Å; V71-R165 HydrophobicContact CG2-CG 4.49Å; V71-R165 PolarHBondContact N-O 3.47Å; R165-P167 CarbonylContact C-O 3.44Å |
| 166 | N | 94 | Very high | 96.4 | Very high | 101 Ų | 101 | 51 Ų | 51 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | 113 | -176.2 | -172.9 | 12.8 | 0 | 0 | 0 | 111.1 | ||
| 167 | P | 94.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -58.8 | 154.6 | -11.4 | 24 | -30.9 | 0 | 0 | 0 | 111.7 | P61 Y66 T164 R165 | P61-P167 HydrophobicContact CB-CG 3.89Å; Y66-P167 HydrophobicContact CD1-CB 3.74Å; Y66-P167 HydrophobicContact CD1-CG 3.82Å; Y66-P167 HydrophobicContact CE1-CB 3.75Å; Y66-P167 HydrophobicContact CE1-CG 3.64Å; T164-P167 WeakPolarHBondContact CG2-O 3.41Å; R165-P167 CarbonylContact C-O 3.44Å |
| 168 | F | 96.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 136.3 | 171.5 | 166.3 | -105.1 | 0 | 0 | 0 | 109.7 | Y69 V71 L90 M108 F122 L163 T164 M170 F190 | Y69-F168 WeakPolarHBondContact O-CB 3.43Å; Y69-F168 PolarHBondContact O-N 2.89Å; V71-F168 HydrophobicContact CG2-CB 4.46Å; V71-F168 HydrophobicContact CG2-CD2 3.69Å; L90-F168 HydrophobicContact CD1-CD1 3.78Å; L90-F168 HydrophobicContact CD1-CD2 4.18Å; L90-F168 HydrophobicContact CD1-CE1 3.72Å; L90-F168 HydrophobicContact CD1-CE2 4.11Å; L90-F168 HydrophobicContact CD1-CG 4.01Å; L90-F168 HydrophobicContact CD1-CZ 3.89Å; L90-F168 HydrophobicContact CD2-CB 4.42Å; L90-F168 HydrophobicContact CD2-CD2 3.57Å; L90-F168 HydrophobicContact CD2-CE2 3.93Å; L90-F168 HydrophobicContact CD2-CG 3.89Å; M108-F168 HydrophobicContact SD-CE2 3.53Å; M108-F168 VanDerWaalsContact SD-CE2 3.53Å; M108-F168 HydrophobicContact SD-CZ 3.42Å; M108-F168 WeakPolarHBondContact SD-CZ 3.34Å; F122-F168 AromaticContact CE1-CE1 3.81Å; F122-F168 HydrophobicContact CE1-CE1 3.81Å; F122-F168 AromaticContact CE1-CZ 3.75Å; F122-F168 HydrophobicContact CE1-CZ 3.75Å; F122-F168 HydrophobicContact CZ-CE1 4.18Å; F122-F168 AromaticContact CZ-CZ 4Å; F122-F168 HydrophobicContact CZ-CZ 4Å; L163-F168 HydrophobicContact CD2-CE2 4.25Å; T164-F168 WeakPolarHBondContact O-CA 3.34Å; F168-M170 HydrophobicContact CZ-CB 4.45Å; F168-M170 HydrophobicContact CZ-CG 4.41Å; F168-F190 AromaticContact CD1-CD1 3.64Å; F168-F190 HydrophobicContact CD1-CD1 3.64Å; F168-F190 AromaticContact CD1-CE1 3.64Å; F168-F190 HydrophobicContact CD1-CE1 3.64Å; F168-F190 AromaticContact CE1-CD1 3.91Å; F168-F190 HydrophobicContact CE1-CD1 3.91Å; F168-F190 AromaticContact CE1-CE1 3.62Å; F168-F190 HydrophobicContact CE1-CE1 3.62Å; F168-F190 HydrophobicContact CE1-CZ 4.33Å |
| 169 | G | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 162.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.1 | T164 | T164-G169 PolarHBondContact N-O 3.45Å; T164-G169 PolarHBondContact O-N 3.32Å |
| 170 | M | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.4 | -179 | 63 | 174 | 179.3 | 0 | 0 | 111.5 | M108 I120 F122 L161 R162 L163 F168 D183 S184 F199 M294 | M108-M170 HydrophobicContact CE-CB 4.35Å; M108-M170 HydrophobicContact CE-SD 3.32Å; M108-M170 WeakPolarHBondContact CE-SD 3.3Å; M108-M170 HydrophobicContact SD-SD 4.17Å; I120-M170 HydrophobicContact CD1-CE 4.07Å; I120-M170 HydrophobicContact CD1-SD 3.77Å; I120-M170 HydrophobicContact CG2-CE 3.98Å; I120-M170 HydrophobicContact CG2-SD 4.02Å; F122-M170 HydrophobicContact CE2-CE 3.74Å; F122-M170 HydrophobicContact CZ-CE 3.62Å; F122-M170 HydrophobicContact CZ-SD 4.05Å; L161-M170 HydrophobicContact CD1-CB 4.16Å; L161-M170 HydrophobicContact CD1-SD 4.46Å; R162-M170 CarbonylContact O-C 3.52Å; R162-M170 VanDerWaalsContact O-CA 3.25Å; R162-M170 WeakPolarHBondContact O-CA 3.48Å; L163-M170 HydrophobicContact CD2-CB 3.64Å; F168-M170 HydrophobicContact CZ-CB 4.45Å; F168-M170 HydrophobicContact CZ-CG 4.41Å; M170-D183 CarbonylContact O-C 3.55Å; M170-S184 WeakPolarHBondContact CG-OG 3.22Å; M170-S184 PolarHBondContact N-OG 3.39Å; M170-S184 PolarHBondContact O-N 3.48Å; M170-S184 PolarHBondContact O-OG 2.83Å; M170-F199 HydrophobicContact CE-CE1 3.86Å; M170-F199 HydrophobicContact CE-CE2 4.34Å; M170-F199 HydrophobicContact CE-CZ 3.37Å; M170-M294 HydrophobicContact CE-CE 3.25Å |
| 171 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L161 R162 L173 T180 I182 D183 | L161-A171 WeakPolarHBondContact CA-O 3.44Å; R162-A171 HydrophobicContact CB-CB 4.49Å; R162-A171 PolarHBondContact N-O 3.04Å; R162-A171 PolarHBondContact O-N 3.03Å; A171-L173 HydrophobicContact CB-CD1 4.02Å; A171-T180 HydrophobicContact CB-CG2 3.89Å; A171-I182 CarbonylContact C-O 3.57Å; A171-I182 WeakPolarHBondContact CA-O 3.46Å; A171-D183 HydrophobicContact CB-CB 4.35Å |
| 172 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.3 | 170 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | M118 I120 E160 L161 L181 I182 I296 | M118-V172 HydrophobicContact SD-CG1 3.76Å; M118-V172 HydrophobicContact SD-CG2 3.98Å; I120-V172 HydrophobicContact CD1-CG2 3.92Å; E160-V172 CarbonylContact O-C 3.38Å; E160-V172 WeakPolarHBondContact O-CA 3.13Å; L161-V172 HydrophobicContact CD1-CG2 3.98Å; V172-L181 HydrophobicContact CG1-CD1 4.49Å; V172-L181 PolarHBondContact O-N 3.29Å; V172-I182 HydrophobicContact CB-CD1 4.36Å; V172-I182 HydrophobicContact CB-CG1 3.76Å; V172-I182 HydrophobicContact CG2-CD1 3.93Å; V172-I182 HydrophobicContact CG2-CG1 3.85Å; V172-I182 PolarHBondContact N-O 3.3Å; V172-I296 HydrophobicContact CB-CD1 4.41Å; V172-I296 HydrophobicContact CG2-CD1 3.83Å |
| 173 | L | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.3 | -177.6 | -61.8 | 86.9 | 0 | 0 | 0 | 110 | Y159 E160 R162 A171 T179 T180 | Y159-L173 CarbonylContact C-O 3.5Å; Y159-L173 WeakPolarHBondContact CA-O 3.1Å; E160-L173 HydrophobicContact CB-CB 4.43Å; E160-L173 PolarHBondContact N-O 3.34Å; E160-L173 PolarHBondContact O-N 2.57Å; R162-L173 HydrophobicContact CB-CD1 4.21Å; R162-L173 HydrophobicContact CG-CD1 3.79Å; A171-L173 HydrophobicContact CB-CD1 4.02Å; L173-T179 CarbonylContact C-O 3.59Å; L173-T179 VanDerWaalsContact CA-O 3.23Å; L173-T179 WeakPolarHBondContact CA-O 3.16Å; L173-T180 HydrophobicContact CG-CG2 4.47Å |
| 174 | R | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.1 | 164.3 | 177.1 | 178.1 | -60.7 | -76.5 | -0.8 | 108.7 | S176 T177 G178 T179 L181 E255 A261 L298 | R174-S176 WeakPolarHBondContact CD-OG 3.4Å; R174-S176 WeakPolarHBondContact CG-OG 3.36Å; R174-S176 PolarHBondContact O-N 2.87Å; R174-T177 WeakPolarHBondContact CD-OG1 3.45Å; R174-G178 VanDerWaalsContact O-CA 3.3Å; R174-G178 WeakPolarHBondContact O-CA 3.37Å; R174-G178 PolarHBondContact O-N 3.05Å; R174-T179 PolarHBondContact N-O 3.09Å; R174-L181 HydrophobicContact CB-CD1 4.36Å; R174-L181 HydrophobicContact CB-CD2 4.09Å; R174-L181 HydrophobicContact CB-CG 4.38Å; R174-E255 IonicContact CZ-OE1 3.78Å; R174-E255 IonicContact CZ-OE2 3.84Å; R174-E255 IonicContact NE-OE1 3.73Å; R174-E255 PolarHBondContact NE-OE1 2.86Å; R174-E255 IonicContact NE-OE2 2.69Å; R174-E255 PolarHBondContact NE-OE2 2.84Å; R174-E255 IonicContact NH2-OE1 3.61Å; R174-E255 PolarHBondContact NH2-OE1 2.92Å; R174-E255 IonicContact NH2-OE2 3.38Å; R174-A261 PolarHBondContact NH2-O 3.29Å; R174-L298 PolarHBondContact NH1-O 2.8Å; R174-L298 PolarHBondContact NH2-O 2.88Å |
| 175 | Q | 97.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 37.4 Ų | 37.4 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -40 | -176.8 | -72.1 | -174 | -1.8 | 0 | 0 | 112.8 | P157 S158 Y159 E160 T177 | P157-Q175 PolarHBondContact O-NE2 2.98Å; P157-Q175 PolarHBondContact O-OE1 2.8Å; P157-Q175 VanDerWaalsContact O-OE1 3.11Å; S158-Q175 PolarHBondContact O-N 3.4Å; Y159-Q175 PolarHBondContact O-NE2 2.83Å; E160-Q175 HydrophobicContact CB-CG 4.32Å; Q175-T177 VanDerWaalsContact C-N 3.34Å; Q175-T177 PolarHBondContact O-N 3.44Å |
| 176 | S | 97 | Very high | 97 | Very high | 97 Ų | 97 | 38.2 Ų | 38.2 | 68% | 0.678 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.2 | -173.5 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | R174 | R174-S176 WeakPolarHBondContact CD-OG 3.4Å; R174-S176 WeakPolarHBondContact CG-OG 3.36Å; R174-S176 PolarHBondContact O-N 2.87Å |
| 177 | T | 97.6 | Very high | 97 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 37% | 0.368 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -19.1 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | R174 Q175 T179 | R174-T177 WeakPolarHBondContact CD-OG1 3.45Å; Q175-T177 VanDerWaalsContact C-N 3.34Å; Q175-T177 PolarHBondContact O-N 3.44Å; T177-T179 PolarHBondContact O-N 3.4Å; T177-T179 WeakPolarHBondContact OG1-CB 3.35Å; T177-T179 PolarHBondContact OG1-N 3.17Å; T177-T179 VanDerWaalsContact OG1-N 3.15Å; T177-T179 PolarHBondContact OG1-OG1 2.86Å |
| 178 | G | 97.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 47% | 0.474 | 18% | 0.179 | S | C | . | . | trans | 75.2 | 3.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R174 T180 | R174-G178 VanDerWaalsContact O-CA 3.3Å; R174-G178 WeakPolarHBondContact O-CA 3.37Å; R174-G178 PolarHBondContact O-N 3.05Å; G178-T180 PolarHBondContact O-N 3.35Å | ||
| 179 | T | 98.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | trans | -61.8 | 129.6 | 179 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | L173 R174 T177 L181 P204 E255 | L173-T179 CarbonylContact C-O 3.59Å; L173-T179 VanDerWaalsContact CA-O 3.23Å; L173-T179 WeakPolarHBondContact CA-O 3.16Å; R174-T179 PolarHBondContact N-O 3.09Å; T177-T179 PolarHBondContact O-N 3.4Å; T177-T179 WeakPolarHBondContact OG1-CB 3.35Å; T177-T179 PolarHBondContact OG1-N 3.17Å; T177-T179 VanDerWaalsContact OG1-N 3.15Å; T177-T179 PolarHBondContact OG1-OG1 2.86Å; T179-L181 HydrophobicContact CG2-CD2 4.14Å; T179-L181 PolarHBondContact O-N 3.03Å; T179-P204 HydrophobicContact CG2-CB 3.72Å; T179-P204 HydrophobicContact CG2-CG 4.36Å; T179-E255 HydrophobicContact CG2-CB 4.26Å | ||
| 180 | T | 98.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.8 | 170.6 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | A171 L173 G178 I182 D183 | A171-T180 HydrophobicContact CB-CG2 3.89Å; L173-T180 HydrophobicContact CG-CG2 4.47Å; G178-T180 PolarHBondContact O-N 3.35Å; T180-I182 WeakPolarHBondContact CG2-O 3.34Å; T180-D183 HydrophobicContact CG2-CB 3.72Å |
| 181 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -40.1 | -172.4 | -53.2 | -176.1 | 0 | 0 | 0 | 112.4 | V172 R174 T179 P204 E255 H262 L298 | V172-L181 HydrophobicContact CG1-CD1 4.49Å; V172-L181 PolarHBondContact O-N 3.29Å; R174-L181 HydrophobicContact CB-CD1 4.36Å; R174-L181 HydrophobicContact CB-CD2 4.09Å; R174-L181 HydrophobicContact CB-CG 4.38Å; T179-L181 HydrophobicContact CG2-CD2 4.14Å; T179-L181 PolarHBondContact O-N 3.03Å; L181-P204 WeakPolarHBondContact O-CD 3.48Å; L181-E255 HydrophobicContact CD2-CG 3.87Å; L181-E255 VanDerWaalsContact CD2-OE1 3.29Å; L181-E255 WeakPolarHBondContact CD2-OE1 3.14Å; L181-E255 WeakPolarHBondContact CD2-OE2 3.07Å; L181-H262 HydrophobicContact CD1-CB 4.18Å; L181-H262 PolarHBondContact O-CE1 2.92Å; L181-H262 PolarHBondContact O-NE2 3.32Å; L181-L298 HydrophobicContact CD1-CD1 4.48Å; L181-L298 HydrophobicContact CD1-CD2 3.76Å; L181-L298 HydrophobicContact CD1-CG 3.77Å |
| 182 | I | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139.5 | 172 | 57.9 | 163.1 | 0 | 0 | 0 | 108.5 | A171 V172 T180 L201 K202 L203 Y251 V264 I296 | A171-I182 CarbonylContact C-O 3.57Å; A171-I182 WeakPolarHBondContact CA-O 3.46Å; V172-I182 HydrophobicContact CB-CD1 4.36Å; V172-I182 HydrophobicContact CB-CG1 3.76Å; V172-I182 HydrophobicContact CG2-CD1 3.93Å; V172-I182 HydrophobicContact CG2-CG1 3.85Å; V172-I182 PolarHBondContact N-O 3.3Å; T180-I182 WeakPolarHBondContact CG2-O 3.34Å; I182-L201 HydrophobicContact CB-CD1 4.2Å; I182-L201 HydrophobicContact CB-CD2 4Å; I182-L201 HydrophobicContact CD1-CD1 4.44Å; I182-L201 HydrophobicContact CD1-CD2 4.3Å; I182-L201 HydrophobicContact CG2-CD1 4.01Å; I182-K202 WeakPolarHBondContact CA-O 3.29Å; I182-L203 HydrophobicContact CG2-CD2 4.18Å; I182-Y251 WeakPolarHBondContact CG2-OH 3.3Å; I182-V264 HydrophobicContact CG2-CG2 4.26Å; I182-I296 HydrophobicContact CD1-CD1 3.41Å; I182-I296 VanDerWaalsContact CD1-CD1 3.41Å; I182-I296 HydrophobicContact CD1-CG1 4.38Å; I182-I296 HydrophobicContact CG1-CD1 4.21Å |
| 183 | D | 98.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 115.5 | 177.7 | -162.7 | -9.5 | 0 | 0 | 0 | 111.9 | M170 A171 T180 R185 K202 | M170-D183 CarbonylContact O-C 3.55Å; A171-D183 HydrophobicContact CB-CB 4.35Å; T180-D183 HydrophobicContact CG2-CB 3.72Å; D183-R185 WeakPolarHBondContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CG 3.25Å; D183-R185 IonicContact OD1-CZ 3.44Å; D183-R185 PolarHBondContact OD1-N 2.82Å; D183-R185 IonicContact OD1-NE 3Å; D183-R185 PolarHBondContact OD1-NE 3.39Å; D183-R185 IonicContact OD1-NH2 3.36Å; D183-R185 IonicContact OD2-CZ 2.82Å; D183-R185 IonicContact OD2-NE 2.75Å; D183-R185 PolarHBondContact OD2-NE 3.18Å; D183-R185 IonicContact OD2-NH2 3.5Å; D183-R185 PolarHBondContact OD2-NH2 3.43Å; D183-K202 HydrophobicContact CB-CB 4.2Å; D183-K202 PolarHBondContact N-O 3.37Å; D183-K202 PolarHBondContact O-N 3.34Å |
| 184 | S | 97.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | trans | -101.9 | 3.6 | 171.5 | 68 | 0 | 0 | 0 | 0 | 113.6 | M170 R186 L187 S200 | M170-S184 WeakPolarHBondContact CG-OG 3.22Å; M170-S184 PolarHBondContact N-OG 3.39Å; M170-S184 PolarHBondContact O-N 3.48Å; M170-S184 PolarHBondContact O-OG 2.83Å; S184-R186 PolarHBondContact O-N 3.16Å; S184-L187 PolarHBondContact O-N 2.96Å; S184-S200 WeakPolarHBondContact CB-O 3.26Å | ||
| 185 | R | 95.2 | Very high | 96 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 25% | 0.253 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 134.1 | -179.7 | -57.2 | 171.4 | -62.4 | 175 | -1.3 | 109.5 | T164 D183 L187 | T164-R185 WeakPolarHBondContact OG1-CD 3.46Å; T164-R185 WeakPolarHBondContact OG1-CG 3.18Å; D183-R185 WeakPolarHBondContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CG 3.25Å; D183-R185 IonicContact OD1-CZ 3.44Å; D183-R185 PolarHBondContact OD1-N 2.82Å; D183-R185 IonicContact OD1-NE 3Å; D183-R185 PolarHBondContact OD1-NE 3.39Å; D183-R185 IonicContact OD1-NH2 3.36Å; D183-R185 IonicContact OD2-CZ 2.82Å; D183-R185 IonicContact OD2-NE 2.75Å; D183-R185 PolarHBondContact OD2-NE 3.18Å; D183-R185 IonicContact OD2-NH2 3.5Å; D183-R185 PolarHBondContact OD2-NH2 3.43Å; R185-L187 PolarHBondContact O-N 2.89Å |
| 186 | R | 90.2 | Very high | 95.9 | Very high | 181 Ų | 181 | 32.1 Ų | 32.1 | 68% | 0.683 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 22.4 | -178.3 | -51 | -178.5 | 178 | 179.2 | -1.2 | 114.1 | Y66 S184 | Y66-R186 WeakPolarHBondContact OH-CA 3.43Å; Y66-R186 PolarHBondContact OH-O 3.23Å; Y66-R186 VanDerWaalsContact OH-O 3.12Å; S184-R186 PolarHBondContact O-N 3.16Å |
| 187 | L | 94.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | trans | -98.4 | 125.2 | 165.8 | -63.8 | -177.2 | 0 | 0 | 0 | 109.9 | I22 Y66 S184 R185 S200 K202 I282 | I22-L187 HydrophobicContact CD1-CD2 4.06Å; I22-L187 HydrophobicContact CG1-CD2 4.43Å; I22-L187 HydrophobicContact CG2-CD2 3.66Å; Y66-L187 PolarHBondContact OH-N 2.83Å; Y66-L187 PolarHBondContact OH-O 2.87Å; S184-L187 PolarHBondContact O-N 2.96Å; R185-L187 PolarHBondContact O-N 2.89Å; L187-S200 VanDerWaalsContact CD1-C 3.48Å; L187-S200 WeakPolarHBondContact CD1-O 3.44Å; L187-K202 HydrophobicContact CD1-CG 4.11Å; L187-K202 HydrophobicContact CD2-CD 4.5Å; L187-K202 HydrophobicContact CD2-CG 4.15Å; L187-K202 HydrophobicContact CG-CG 4.43Å; L187-I282 HydrophobicContact CD2-CD1 3.87Å | ||
| 188 | P | 92.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -76.8 | 165.6 | 177.7 | 31.2 | -34.4 | 0 | 0 | 0 | 111.1 | I24 F57 Y66 | I24-P188 HydrophobicContact CB-CG 4.25Å; I24-P188 HydrophobicContact CG1-CG 4.1Å; F57-P188 HydrophobicContact CB-CB 3.66Å; F57-P188 HydrophobicContact CB-CG 3.63Å; F57-P188 HydrophobicContact CG-CB 4.13Å; F57-P188 HydrophobicContact CG-CG 4.38Å; Y66-P188 HydrophobicContact CD2-CB 4.29Å; Y66-P188 HydrophobicContact CE1-CB 4.29Å; Y66-P188 HydrophobicContact CE2-CB 3.69Å; Y66-P188 HydrophobicContact CE2-CG 4.4Å |
| 189 | G | 92.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | trans | 88.4 | 9.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115 | A67 T191 | A67-G189 PolarHBondContact O-N 2.78Å; G189-T191 PolarHBondContact O-N 2.84Å | ||
| 190 | F | 95.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 6% | 0.061 | 10% | 0.097 | C | C | . | . | trans | -63.1 | 107.1 | 167 | 174.5 | -128.4 | 0 | 0 | 0 | 109.5 | G68 Y69 L90 L106 F122 F168 M192 Q198 F199 | G68-F190 WeakPolarHBondContact CA-O 3.47Å; Y69-F190 AromaticContact CD2-CD1 3.61Å; Y69-F190 HydrophobicContact CD2-CD1 3.61Å; Y69-F190 AromaticContact CD2-CE1 3.68Å; Y69-F190 HydrophobicContact CD2-CE1 3.68Å; Y69-F190 HydrophobicContact CD2-CG 4.47Å; Y69-F190 HydrophobicContact CE2-CD1 4.34Å; Y69-F190 HydrophobicContact CE2-CE1 4.26Å; Y69-F190 HydrophobicContact CG-CD1 4.34Å; Y69-F190 HydrophobicContact CG-CE1 4.19Å; L90-F190 HydrophobicContact CD1-CE1 3.97Å; L106-F190 HydrophobicContact CD1-CE1 4.29Å; L106-F190 HydrophobicContact CD1-CZ 4Å; F122-F190 HydrophobicContact CD1-CE1 4.47Å; F122-F190 AromaticContact CD1-CZ 3.69Å; F122-F190 HydrophobicContact CD1-CZ 3.69Å; F122-F190 HydrophobicContact CE1-CE1 4.32Å; F122-F190 AromaticContact CE1-CZ 3.82Å; F122-F190 HydrophobicContact CE1-CZ 3.82Å; F122-F190 HydrophobicContact CG-CZ 4.27Å; F168-F190 AromaticContact CD1-CD1 3.64Å; F168-F190 HydrophobicContact CD1-CD1 3.64Å; F168-F190 AromaticContact CD1-CE1 3.64Å; F168-F190 HydrophobicContact CD1-CE1 3.64Å; F168-F190 AromaticContact CE1-CD1 3.91Å; F168-F190 HydrophobicContact CE1-CD1 3.91Å; F168-F190 AromaticContact CE1-CE1 3.62Å; F168-F190 HydrophobicContact CE1-CE1 3.62Å; F168-F190 HydrophobicContact CE1-CZ 4.33Å; F190-M192 HydrophobicContact CE2-CG 4.2Å; F190-M192 HydrophobicContact CE2-SD 4.38Å; F190-M192 HydrophobicContact CZ-SD 4.42Å; F190-Q198 WeakPolarHBondContact CA-O 3.44Å; F190-Q198 WeakPolarHBondContact CD2-O 3.38Å; F190-F199 HydrophobicContact CB-CD2 4.43Å; F190-F199 HydrophobicContact CD2-CB 4.28Å; F190-F199 AromaticContact CD2-CD2 3.42Å; F190-F199 HydrophobicContact CD2-CD2 3.42Å; F190-F199 VanDerWaalsContact CD2-CD2 3.42Å; F190-F199 HydrophobicContact CD2-CE2 4.18Å; F190-F199 HydrophobicContact CD2-CG 4.25Å; F190-F199 AromaticContact CE2-CD2 3.87Å; F190-F199 HydrophobicContact CE2-CD2 3.87Å; F190-F199 HydrophobicContact CE2-CE2 4.49Å; F190-F199 HydrophobicContact CG-CD2 4.07Å | ||
| 191 | T | 94.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149.7 | 178.5 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | I98 G189 F196 H197 Q198 | I98-T191 HydrophobicContact CD1-CG2 3.98Å; G189-T191 PolarHBondContact O-N 2.84Å; T191-F196 HydrophobicContact CG2-CD1 3.69Å; T191-F196 HydrophobicContact CG2-CE1 3.55Å; T191-H197 CarbonylContact O-C 3.55Å; T191-H197 WeakPolarHBondContact O-CA 3.16Å; T191-Q198 HydrophobicContact CG2-CB 4.18Å; T191-Q198 PolarHBondContact N-O 2.94Å; T191-Q198 VanDerWaalsContact N-O 3.12Å; T191-Q198 PolarHBondContact O-N 2.87Å |
| 192 | M | 96 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.9 | 166.5 | -64.1 | -178.3 | 67.3 | 0 | 0 | 109 | Y69 Y103 L106 F122 F190 F196 H197 F292 | Y69-M192 PolarHBondContact OH-O 3.38Å; Y103-M192 HydrophobicContact CD2-CB 3.96Å; Y103-M192 WeakPolarHBondContact CD2-O 3.21Å; Y103-M192 PolarHBondContact N-O 2.76Å; L106-M192 HydrophobicContact CD1-CB 4Å; L106-M192 HydrophobicContact CD1-CG 4.02Å; L106-M192 HydrophobicContact CD1-SD 3.74Å; L106-M192 HydrophobicContact CD2-CB 4.13Å; L106-M192 HydrophobicContact CD2-SD 4.09Å; F122-M192 HydrophobicContact CB-CE 4.23Å; F122-M192 HydrophobicContact CB-SD 3.52Å; F122-M192 VanDerWaalsContact CB-SD 3.52Å; F122-M192 HydrophobicContact CG-SD 4.45Å; F190-M192 HydrophobicContact CE2-CG 4.2Å; F190-M192 HydrophobicContact CE2-SD 4.38Å; F190-M192 HydrophobicContact CZ-SD 4.42Å; M192-F196 CarbonylContact C-O 3.59Å; M192-H197 HydrophobicContact CG-CB 4.13Å; M192-F292 HydrophobicContact CE-CB 4.26Å |
| 193 | S | 95.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 174.5 | 172.9 | 79.4 | 0 | 0 | 0 | 0 | 109.8 | G100 N101 D102 Y103 Q195 F196 H197 | G100-S193 VanDerWaalsContact O-CB 3.26Å; G100-S193 WeakPolarHBondContact O-CB 3.46Å; G100-S193 PolarHBondContact O-OG 3.45Å; N101-S193 VanDerWaalsContact O-CA 3.32Å; N101-S193 WeakPolarHBondContact O-CA 3.32Å; N101-S193 VanDerWaalsContact O-CB 3.27Å; N101-S193 WeakPolarHBondContact O-CB 3.43Å; D102-S193 WeakPolarHBondContact OD1-CB 3.43Å; Y103-S193 WeakPolarHBondContact CE2-O 3.35Å; S193-Q195 PolarHBondContact O-N 3.19Å; S193-Q195 VanDerWaalsContact O-N 3.09Å; S193-F196 PolarHBondContact N-O 3.43Å; S193-F196 WeakPolarHBondContact OG-CB 3.38Å; S193-F196 PolarHBondContact OG-N 3.04Å; S193-F196 PolarHBondContact OG-O 2.85Å; S193-H197 PolarHBondContact O-CD2 3.46Å; S193-H197 PolarHBondContact O-NE2 2.64Å |
| 194 | E | 94.9 | Very high | 95.7 | Very high | 74 Ų | 74 | 23.1 Ų | 23.1 | 35% | 0.346 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -36.9 | 179.4 | -168.8 | -173.7 | -166.8 | 0 | 0 | 113.9 | N101 K493 | N101-E194 HydrophobicContact CB-CB 4.04Å; N101-E194 PolarHBondContact O-N 2.7Å; E194-K493 IonicContact OE1-NZ 2.59Å; E194-K493 PolarHBondContact OE1-NZ 3.07Å; E194-K493 IonicContact OE2-NZ 3.31Å; E194-K493 PolarHBondContact OE2-NZ 2.84Å |
| 195 | Q | 96 | Very high | 95.6 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 20.5 | -175.9 | -62.7 | -171.5 | -84.8 | 0 | 0 | 114.6 | S193 T288 K493 P498 Y524 | S193-Q195 PolarHBondContact O-N 3.19Å; S193-Q195 VanDerWaalsContact O-N 3.09Å; Q195-T288 CarbonylContact C-O 3.58Å; Q195-T288 WeakPolarHBondContact CA-O 3.31Å; Q195-K493 PolarHBondContact NE2-O 3.4Å; Q195-K493 VanDerWaalsContact OE1-CB 3.26Å; Q195-K493 PolarHBondContact OE1-O 2.85Å; Q195-P498 HydrophobicContact CB-CG 3.9Å; Q195-Y524 PolarHBondContact NE2-OH 3.32Å |
| 196 | F | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 118.1 | 174.2 | -179.2 | -101.8 | 0 | 0 | 0 | 111.6 | P28 I98 F99 T191 M192 S193 Q198 R286 L287 Y499 | P28-F196 HydrophobicContact CG-CE2 4.2Å; P28-F196 HydrophobicContact CG-CZ 4.12Å; I98-F196 HydrophobicContact CD1-CE1 3.83Å; F99-F196 HydrophobicContact CB-CB 4.26Å; F99-F196 HydrophobicContact CD2-CB 3.77Å; F99-F196 AromaticContact CD2-CD1 3.62Å; F99-F196 HydrophobicContact CD2-CD1 3.62Å; F99-F196 AromaticContact CD2-CD2 3.55Å; F99-F196 HydrophobicContact CD2-CD2 3.55Å; F99-F196 HydrophobicContact CD2-CE1 4.03Å; F99-F196 AromaticContact CD2-CE2 3.96Å; F99-F196 HydrophobicContact CD2-CE2 3.96Å; F99-F196 AromaticContact CD2-CG 3.34Å; F99-F196 HydrophobicContact CD2-CG 3.34Å; F99-F196 HydrophobicContact CD2-CZ 4.17Å; F99-F196 HydrophobicContact CE2-CD1 4.1Å; F99-F196 AromaticContact CE2-CD2 3.51Å; F99-F196 HydrophobicContact CE2-CD2 3.51Å; F99-F196 HydrophobicContact CE2-CE1 4.09Å; F99-F196 AromaticContact CE2-CE2 3.49Å; F99-F196 HydrophobicContact CE2-CE2 3.49Å; F99-F196 VanDerWaalsContact CE2-CE2 3.49Å; F99-F196 AromaticContact CE2-CG 3.8Å; F99-F196 HydrophobicContact CE2-CG 3.8Å; F99-F196 AromaticContact CE2-CZ 3.78Å; F99-F196 HydrophobicContact CE2-CZ 3.78Å; F99-F196 HydrophobicContact CG-CB 4.35Å; F99-F196 HydrophobicContact CG-CG 4.35Å; T191-F196 HydrophobicContact CG2-CD1 3.69Å; T191-F196 HydrophobicContact CG2-CE1 3.55Å; M192-F196 CarbonylContact C-O 3.59Å; S193-F196 PolarHBondContact N-O 3.43Å; S193-F196 WeakPolarHBondContact OG-CB 3.38Å; S193-F196 PolarHBondContact OG-N 3.04Å; S193-F196 PolarHBondContact OG-O 2.85Å; F196-Q198 HydrophobicContact CE1-CB 3.74Å; F196-Q198 HydrophobicContact CZ-CB 3.78Å; F196-R286 HydrophobicContact CE2-CB 4.23Å; F196-R286 HydrophobicContact CE2-CG 4.34Å; F196-R286 HydrophobicContact CZ-CG 4.42Å; F196-L287 CarbonylContact C-O 3.43Å; F196-L287 WeakPolarHBondContact CA-O 3.45Å; F196-Y499 AromaticContact CD2-CD1 3.59Å; F196-Y499 HydrophobicContact CD2-CD1 3.59Å; F196-Y499 HydrophobicContact CD2-CD2 4.11Å; F196-Y499 HydrophobicContact CD2-CE1 4.28Å; F196-Y499 AromaticContact CD2-CG 3.49Å; F196-Y499 HydrophobicContact CD2-CG 3.49Å; F196-Y499 VanDerWaalsContact CD2-CG 3.49Å; F196-Y499 AromaticContact CE2-CD1 3.79Å; F196-Y499 HydrophobicContact CE2-CD1 3.79Å; F196-Y499 AromaticContact CE2-CD2 3.93Å; F196-Y499 HydrophobicContact CE2-CD2 3.93Å; F196-Y499 HydrophobicContact CE2-CE1 4.04Å; F196-Y499 HydrophobicContact CE2-CE2 4.18Å; F196-Y499 AromaticContact CE2-CG 3.73Å; F196-Y499 HydrophobicContact CE2-CG 3.73Å |
| 197 | H | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.6 | 166.7 | -50.3 | 147.8 | 0 | 0 | 0 | 109.1 | T191 M192 S193 R286 L287 G289 G290 | T191-H197 CarbonylContact O-C 3.55Å; T191-H197 WeakPolarHBondContact O-CA 3.16Å; M192-H197 HydrophobicContact CG-CB 4.13Å; S193-H197 PolarHBondContact O-CD2 3.46Å; S193-H197 PolarHBondContact O-NE2 2.64Å; H197-R286 CarbonylContact O-C 3.57Å; H197-R286 WeakPolarHBondContact O-CA 3.29Å; H197-L287 HydrophobicContact CB-CB 3.97Å; H197-L287 HydrophobicContact CB-CD1 3.96Å; H197-L287 HydrophobicContact CB-CG 4.34Å; H197-L287 PolarHBondContact N-O 3.17Å; H197-L287 PolarHBondContact O-N 3.5Å; H197-G289 PolarHBondContact CE1-O 3.16Å; H197-G289 VanDerWaalsContact CE1-O 3.29Å; H197-G289 PolarHBondContact ND1-O 2Å; H197-G290 PolarHBondContact CE1-O 2.79Å |
| 198 | Q | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 133.6 | 166.7 | -179.2 | 168.5 | -74.3 | 0 | 0 | 109.5 | D25 F57 F190 T191 F196 T284 I285 R286 | D25-Q198 PolarHBondContact O-NE2 2.85Å; F57-Q198 VanDerWaalsContact CE2-NE2 3.3Å; F190-Q198 WeakPolarHBondContact CA-O 3.44Å; F190-Q198 WeakPolarHBondContact CD2-O 3.38Å; T191-Q198 HydrophobicContact CG2-CB 4.18Å; T191-Q198 PolarHBondContact N-O 2.94Å; T191-Q198 VanDerWaalsContact N-O 3.12Å; T191-Q198 PolarHBondContact O-N 2.87Å; F196-Q198 HydrophobicContact CE1-CB 3.74Å; F196-Q198 HydrophobicContact CZ-CB 3.78Å; Q198-T284 HydrophobicContact CG-CG2 3.88Å; Q198-I285 WeakPolarHBondContact CA-O 3.48Å; Q198-R286 HydrophobicContact CB-CG 4.25Å; Q198-R286 HydrophobicContact CG-CG 4.03Å |
| 199 | F | 96.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 2% | 0.022 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 136.4 | 176.7 | -172.8 | -121 | 0 | 0 | 0 | 110.5 | M170 F190 L201 T284 I285 F292 M294 | M170-F199 HydrophobicContact CE-CE1 3.86Å; M170-F199 HydrophobicContact CE-CE2 4.34Å; M170-F199 HydrophobicContact CE-CZ 3.37Å; F190-F199 HydrophobicContact CB-CD2 4.43Å; F190-F199 HydrophobicContact CD2-CB 4.28Å; F190-F199 AromaticContact CD2-CD2 3.42Å; F190-F199 HydrophobicContact CD2-CD2 3.42Å; F190-F199 VanDerWaalsContact CD2-CD2 3.42Å; F190-F199 HydrophobicContact CD2-CE2 4.18Å; F190-F199 HydrophobicContact CD2-CG 4.25Å; F190-F199 AromaticContact CE2-CD2 3.87Å; F190-F199 HydrophobicContact CE2-CD2 3.87Å; F190-F199 HydrophobicContact CE2-CE2 4.49Å; F190-F199 HydrophobicContact CG-CD2 4.07Å; F199-L201 HydrophobicContact CD1-CD1 4.41Å; F199-L201 HydrophobicContact CD1-CD2 4.24Å; F199-L201 HydrophobicContact CD1-CG 4.1Å; F199-L201 HydrophobicContact CE1-CD1 3.96Å; F199-L201 HydrophobicContact CE1-CD2 3.3Å; F199-L201 HydrophobicContact CE1-CG 3.61Å; F199-L201 HydrophobicContact CZ-CD2 3.5Å; F199-L201 VanDerWaalsContact CZ-CD2 3.5Å; F199-L201 HydrophobicContact CZ-CG 4.25Å; F199-T284 WeakPolarHBondContact O-CA 3.35Å; F199-I285 HydrophobicContact CB-CG2 4Å; F199-I285 PolarHBondContact N-O 2.9Å; F199-I285 WeakPolarHBondContact O-CG2 3.27Å; F199-I285 PolarHBondContact O-N 3.24Å; F199-F292 HydrophobicContact CB-CE1 4.11Å; F199-F292 AromaticContact CD1-CE1 3.55Å; F199-F292 HydrophobicContact CD1-CE1 3.55Å; F199-F292 AromaticContact CD1-CZ 3.95Å; F199-F292 HydrophobicContact CD1-CZ 3.95Å; F199-F292 HydrophobicContact CE1-CE1 4.24Å; F199-F292 HydrophobicContact CG-CE1 4.01Å; F199-M294 HydrophobicContact CD1-CE 4.28Å; F199-M294 HydrophobicContact CD1-SD 3.96Å; F199-M294 HydrophobicContact CE1-CE 3.6Å; F199-M294 HydrophobicContact CE1-SD 3.62Å; F199-M294 HydrophobicContact CZ-CE 4.27Å |
| 200 | S | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.9 | -178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | S184 L187 L283 T284 | S184-S200 WeakPolarHBondContact CB-O 3.26Å; L187-S200 VanDerWaalsContact CD1-C 3.48Å; L187-S200 WeakPolarHBondContact CD1-O 3.44Å; S200-L283 CarbonylContact C-O 3.58Å; S200-L283 VanDerWaalsContact CA-O 3.25Å; S200-L283 WeakPolarHBondContact CA-O 3.24Å; S200-T284 WeakPolarHBondContact OG-CG2 3.45Å; S200-T284 PolarHBondContact OG-OG1 3.07Å |
| 201 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124.5 | -177.1 | -67.1 | 175.8 | 0 | 0 | 0 | 110.1 | I182 F199 L203 F266 I282 L283 M294 | I182-L201 HydrophobicContact CB-CD1 4.2Å; I182-L201 HydrophobicContact CB-CD2 4Å; I182-L201 HydrophobicContact CD1-CD1 4.44Å; I182-L201 HydrophobicContact CD1-CD2 4.3Å; I182-L201 HydrophobicContact CG2-CD1 4.01Å; F199-L201 HydrophobicContact CD1-CD1 4.41Å; F199-L201 HydrophobicContact CD1-CD2 4.24Å; F199-L201 HydrophobicContact CD1-CG 4.1Å; F199-L201 HydrophobicContact CE1-CD1 3.96Å; F199-L201 HydrophobicContact CE1-CD2 3.3Å; F199-L201 HydrophobicContact CE1-CG 3.61Å; F199-L201 HydrophobicContact CZ-CD2 3.5Å; F199-L201 VanDerWaalsContact CZ-CD2 3.5Å; F199-L201 HydrophobicContact CZ-CG 4.25Å; L201-L203 HydrophobicContact CB-CD2 4.33Å; L201-F266 HydrophobicContact CD1-CE1 3.82Å; L201-F266 HydrophobicContact CD1-CZ 3.97Å; L201-I282 CarbonylContact O-C 3.56Å; L201-I282 VanDerWaalsContact O-CA 3.3Å; L201-I282 WeakPolarHBondContact O-CA 3.1Å; L201-L283 PolarHBondContact N-O 3.48Å; L201-L283 PolarHBondContact O-N 3.45Å; L201-M294 HydrophobicContact CD1-SD 4.17Å |
| 202 | K | 97.4 | Very high | 96.2 | Very high | 42 Ų | 42 | 14.4 Ų | 14.4 | 18% | 0.183 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 138.8 | 160.8 | -56.7 | -178.9 | -174.2 | -163.2 | 0 | 108.8 | I182 D183 L187 E280 P281 I282 | I182-K202 WeakPolarHBondContact CA-O 3.29Å; D183-K202 HydrophobicContact CB-CB 4.2Å; D183-K202 PolarHBondContact N-O 3.37Å; D183-K202 PolarHBondContact O-N 3.34Å; L187-K202 HydrophobicContact CD1-CG 4.11Å; L187-K202 HydrophobicContact CD2-CD 4.5Å; L187-K202 HydrophobicContact CD2-CG 4.15Å; L187-K202 HydrophobicContact CG-CG 4.43Å; K202-E280 WeakPolarHBondContact CD-OE2 3.11Å; K202-E280 WeakPolarHBondContact CE-OE2 3.3Å; K202-E280 IonicContact NZ-OE1 3.76Å; K202-E280 PolarHBondContact NZ-OE1 2.68Å; K202-E280 IonicContact NZ-OE2 3.93Å; K202-E280 PolarHBondContact NZ-OE2 2.73Å; K202-P281 CarbonylContact C-O 3.56Å; K202-P281 WeakPolarHBondContact CA-O 3.44Å; K202-I282 HydrophobicContact CB-CG1 4.41Å; K202-I282 HydrophobicContact CG-CD1 4.2Å; K202-I282 HydrophobicContact CG-CG1 3.76Å |
| 203 | L | 97.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 6% | 0.058 | 8% | 0.076 | C | C | . | . | trans | -110.4 | 158 | 179.9 | -55.3 | -177.7 | 0 | 0 | 0 | 110 | I182 L201 S205 I208 F223 Y251 P281 L283 | I182-L203 HydrophobicContact CG2-CD2 4.18Å; L201-L203 HydrophobicContact CB-CD2 4.33Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 2.97Å; L203-I208 HydrophobicContact CD1-CD1 3.67Å; L203-I208 HydrophobicContact CD1-CG1 3.98Å; L203-F223 HydrophobicContact CD1-CE1 4.48Å; L203-F223 HydrophobicContact CD1-CZ 4.25Å; L203-Y251 WeakPolarHBondContact CD2-OH 3.3Å; L203-P281 HydrophobicContact CB-CB 4.41Å; L203-P281 PolarHBondContact N-O 2.73Å; L203-P281 VanDerWaalsContact O-CG 3.31Å; L203-P281 WeakPolarHBondContact O-CG 3.18Å; L203-L283 HydrophobicContact CD1-CB 4.07Å | ||
| 204 | P | 97.1 | Very high | 96 | Very high | 41 Ų | 41 | 14.5 Ų | 14.5 | 27% | 0.266 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -72.5 | -22.5 | -179.4 | 26.6 | -35 | 0 | 0 | 0 | 113.2 | T179 L181 E255 | T179-P204 HydrophobicContact CG2-CB 3.72Å; T179-P204 HydrophobicContact CG2-CG 4.36Å; L181-P204 WeakPolarHBondContact O-CD 3.48Å; P204-E255 HydrophobicContact CG-CB 4.39Å; P204-E255 HydrophobicContact CG-CG 4.18Å |
| 205 | S | 96.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 11.6 Ų | 11.6 | 13% | 0.126 | 6% | 0.064 | C | C | . | . | trans | -153.5 | 173.7 | -178.4 | 90.9 | 0 | 0 | 0 | 0 | 112.1 | L203 F207 M254 | L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 2.97Å; S205-F207 PolarHBondContact OG-N 2.62Å; S205-M254 WeakPolarHBondContact CB-O 3.14Å; S205-M254 PolarHBondContact OG-O 2.98Å | ||
| 206 | T | 96.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 12 Ų | 12 | 33% | 0.325 | 7% | 0.066 | S | C | . | . | S | Bend | trans | -95 | 9.8 | 172.1 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | I208 R220 F223 P281 | T206-I208 VanDerWaalsContact C-N 3.33Å; T206-I208 PolarHBondContact O-N 3.11Å; T206-I208 VanDerWaalsContact O-N 3.14Å; T206-R220 PolarHBondContact O-NE 3.43Å; T206-R220 PolarHBondContact O-NH2 2.87Å; T206-R220 PolarHBondContact OG1-NH2 2.92Å; T206-F223 HydrophobicContact CG2-CD2 3.87Å; T206-F223 HydrophobicContact CG2-CE2 3.99Å; T206-F223 HydrophobicContact CG2-CG 4.19Å; T206-F223 HydrophobicContact CG2-CZ 4.36Å; T206-F223 WeakPolarHBondContact O-CE2 3.23Å; T206-P281 HydrophobicContact CG2-CB 3.85Å; T206-P281 HydrophobicContact CG2-CG 4.43Å |
| 207 | F | 97.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 15.8 Ų | 15.8 | 16% | 0.158 | 9% | 0.086 | C | C | . | . | trans | -87.1 | 74.5 | 177.5 | -69.5 | -80.6 | 0 | 0 | 0 | 110 | S205 Y209 R220 C253 M254 R695 | S205-F207 PolarHBondContact OG-N 2.62Å; F207-Y209 HydrophobicContact CB-CE2 4.19Å; F207-R220 VanDerWaalsContact CD1-CZ 3.43Å; F207-R220 VanDerWaalsContact CE1-CZ 3.46Å; F207-C253 VanDerWaalsContact O-CA 3.3Å; F207-C253 WeakPolarHBondContact O-CA 3.31Å; F207-M254 HydrophobicContact CB-CB 3.79Å; F207-M254 HydrophobicContact CB-CG 4.34Å; F207-M254 HydrophobicContact CG-CB 4.46Å; F207-M254 PolarHBondContact O-N 2.88Å; F207-R695 HydrophobicContact CD1-CB 3.92Å; F207-R695 HydrophobicContact CD1-CG 4.39Å; F207-R695 HydrophobicContact CE1-CB 3.82Å; F207-R695 HydrophobicContact CE1-CG 4.4Å | ||
| 208 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.9 | -178.5 | -60.3 | -58.2 | 0 | 0 | 0 | 110.7 | L203 T206 L211 R221 F223 Y251 L252 C253 | L203-I208 HydrophobicContact CD1-CD1 3.67Å; L203-I208 HydrophobicContact CD1-CG1 3.98Å; T206-I208 VanDerWaalsContact C-N 3.33Å; T206-I208 PolarHBondContact O-N 3.11Å; T206-I208 VanDerWaalsContact O-N 3.14Å; I208-L211 HydrophobicContact CG2-CD1 3.85Å; I208-R221 HydrophobicContact CB-CB 4.48Å; I208-R221 HydrophobicContact CG2-CB 4.41Å; I208-R221 HydrophobicContact CG2-CG 4.38Å; I208-R221 PolarHBondContact O-N 3.3Å; I208-F223 HydrophobicContact CB-CE2 4.21Å; I208-F223 HydrophobicContact CB-CZ 4.41Å; I208-F223 HydrophobicContact CG1-CE2 3.76Å; I208-F223 HydrophobicContact CG1-CZ 3.55Å; I208-Y251 HydrophobicContact CD1-CD2 3.91Å; I208-Y251 HydrophobicContact CD1-CE2 4.12Å; I208-Y251 HydrophobicContact CG2-CG 4.3Å; I208-L252 WeakPolarHBondContact CA-O 3.5Å; I208-C253 HydrophobicContact CD1-CB 3.42Å; I208-C253 VanDerWaalsContact CD1-CB 3.42Å; I208-C253 VanDerWaalsContact CD1-SG 3.52Å |
| 209 | Y | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154 | -178.9 | -52.7 | -90.1 | 0 | 0 | 0 | 110.7 | F207 F219 R220 Y251 L252 M254 M592 F685 R695 | F207-Y209 HydrophobicContact CB-CE2 4.19Å; Y209-F219 AromaticContact CD1-CD1 3.39Å; Y209-F219 HydrophobicContact CD1-CD1 3.39Å; Y209-F219 AromaticContact CD1-CE1 3.46Å; Y209-F219 HydrophobicContact CD1-CE1 3.46Å; Y209-F219 VanDerWaalsContact CD1-CE1 3.46Å; Y209-F219 HydrophobicContact CD1-CG 4.05Å; Y209-F219 HydrophobicContact CD1-CZ 4.18Å; Y209-F219 AromaticContact CE1-CD1 3.78Å; Y209-F219 HydrophobicContact CE1-CD1 3.78Å; Y209-F219 HydrophobicContact CE1-CE1 4.08Å; Y209-F219 HydrophobicContact CG-CD1 4.43Å; Y209-F219 HydrophobicContact CG-CE1 4.1Å; Y209-R220 HydrophobicContact CD1-CB 4.28Å; Y209-R220 HydrophobicContact CE1-CB 3.77Å; Y209-R220 HydrophobicContact CE1-CG 4.31Å; Y209-Y251 VanDerWaalsContact O-CA 3.25Å; Y209-Y251 WeakPolarHBondContact O-CA 3.45Å; Y209-L252 HydrophobicContact CD2-CD2 3.89Å; Y209-L252 HydrophobicContact CE2-CD2 4.5Å; Y209-L252 PolarHBondContact N-O 3.04Å; Y209-L252 PolarHBondContact O-N 3.04Å; Y209-M254 HydrophobicContact CE2-CG 4Å; Y209-M592 WeakPolarHBondContact O-CE 3.23Å; Y209-F685 AromaticContact CD1-CE1 3.99Å; Y209-F685 HydrophobicContact CD1-CE1 3.99Å; Y209-F685 HydrophobicContact CD1-CZ 4.06Å; Y209-F685 HydrophobicContact CD2-CE1 4.41Å; Y209-F685 HydrophobicContact CD2-CE2 4.45Å; Y209-F685 AromaticContact CD2-CZ 3.77Å; Y209-F685 HydrophobicContact CD2-CZ 3.77Å; Y209-F685 HydrophobicContact CE1-CD1 4.45Å; Y209-F685 AromaticContact CE1-CE1 3.57Å; Y209-F685 HydrophobicContact CE1-CE1 3.57Å; Y209-F685 AromaticContact CE1-CZ 3.93Å; Y209-F685 HydrophobicContact CE1-CZ 3.93Å; Y209-F685 HydrophobicContact CE2-CE1 4.07Å; Y209-F685 HydrophobicContact CE2-CE2 4.18Å; Y209-F685 AromaticContact CE2-CZ 3.66Å; Y209-F685 HydrophobicContact CE2-CZ 3.66Å; Y209-F685 HydrophobicContact CG-CE1 4.38Å; Y209-F685 AromaticContact CG-CZ 3.97Å; Y209-F685 HydrophobicContact CG-CZ 3.97Å; Y209-F685 AromaticContact CZ-CE1 3.63Å; Y209-F685 AromaticContact CZ-CZ 3.73Å; Y209-R695 WeakPolarHBondContact CE1-O 2.97Å; Y209-R695 WeakPolarHBondContact OH-CB 3.43Å; Y209-R695 PolarHBondContact OH-O 2.95Å |
| 210 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.6 | -133.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R221 | G210-R221 WeakPolarHBondContact O-CD 3.47Å; G210-R221 PolarHBondContact O-NE 3.38Å |
| 211 | L | 86.8 | Confident | 95.1 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | trans | 69.4 | 51.1 | -175.4 | -60.9 | 172.8 | 0 | 0 | 0 | 114.4 | I208 Q214 R221 F230 F250 Y251 I274 L276 L283 | I208-L211 HydrophobicContact CG2-CD1 3.85Å; L211-Q214 PolarHBondContact O-NE2 3.4Å; L211-Q214 PolarHBondContact O-OE1 2.82Å; L211-R221 PolarHBondContact O-NH2 3.1Å; L211-F230 VanDerWaalsContact C-CZ 3.43Å; L211-F230 HydrophobicContact CB-CZ 4.13Å; L211-F230 WeakPolarHBondContact O-CE1 3.18Å; L211-F230 WeakPolarHBondContact O-CZ 3.05Å; L211-F250 WeakPolarHBondContact CA-O 3.43Å; L211-F250 PolarHBondContact N-O 3Å; L211-Y251 HydrophobicContact CD2-CD1 4.2Å; L211-Y251 HydrophobicContact CD2-CG 4.45Å; L211-I274 HydrophobicContact CD1-CG2 4.44Å; L211-I274 HydrophobicContact CD2-CD1 3.83Å; L211-L276 HydrophobicContact CD1-CD1 4.17Å; L211-L276 HydrophobicContact CD1-CD2 4.27Å; L211-L283 HydrophobicContact CD1-CD1 4.38Å | ||
| 212 | G | 93.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 88.3 | 172.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q214 H248 | G212-Q214 PolarHBondContact O-N 3.15Å; G212-Q214 PolarHBondContact O-OE1 3.12Å; G212-H248 WeakPolarHBondContact CA-O 3.48Å; G212-H248 PolarHBondContact N-O 3.14Å |
| 213 | E | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -90.2 | 101.8 | 178.6 | -171.3 | -177.1 | -168.4 | 0 | 0 | 110.4 | L244 Y245 G246 H568 F590 | E213-L244 HydrophobicContact CG-CB 4.06Å; E213-L244 HydrophobicContact CG-CD1 4.09Å; E213-L244 PolarHBondContact O-N 2.96Å; E213-Y245 PolarHBondContact OE2-N 3.36Å; E213-G246 VanDerWaalsContact OE2-CA 3.3Å; E213-G246 WeakPolarHBondContact OE2-CA 3.4Å; E213-G246 PolarHBondContact OE2-N 2.95Å; E213-H568 IonicContact OE1-CE1 2.71Å; E213-H568 IonicContact OE1-NE2 2.84Å; E213-H568 PolarHBondContact OE1-NE2 3.01Å; E213-H568 IonicContact OE2-CE1 3.75Å; E213-H568 IonicContact OE2-NE2 3.86Å; E213-F590 HydrophobicContact CB-CE2 4.12Å; E213-F590 HydrophobicContact CB-CZ 4.12Å; E213-F590 HydrophobicContact CG-CE2 3.81Å; E213-F590 HydrophobicContact CG-CZ 4.05Å |
| 214 | Q | 92.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -140.8 | 168.9 | 169.8 | -53.5 | 87 | 17 | 0 | 0 | 109.8 | L211 G212 H216 W228 P229 W582 | L211-Q214 PolarHBondContact O-NE2 3.4Å; L211-Q214 PolarHBondContact O-OE1 2.82Å; G212-Q214 PolarHBondContact O-N 3.15Å; G212-Q214 PolarHBondContact O-OE1 3.12Å; Q214-H216 PolarHBondContact O-CD2 3.4Å; Q214-H216 VanDerWaalsContact O-CD2 3.28Å; Q214-W228 HydrophobicContact CB-CE3 4.03Å; Q214-W228 HydrophobicContact CB-CZ3 4.06Å; Q214-W228 HydrophobicContact CG-CE3 4.11Å; Q214-P229 PolarHBondContact NE2-O 3.38Å; Q214-P229 VanDerWaalsContact NE2-O 3.09Å; Q214-W582 PolarHBondContact O-NE1 3.07Å |
| 215 | V | 92.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | trans | -85.3 | 125.2 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | P237 T238 L244 W582 | V215-P237 HydrophobicContact CG2-CB 3.57Å; V215-T238 WeakPolarHBondContact CB-O 3.26Å; V215-T238 WeakPolarHBondContact CG1-O 3.44Å; V215-T238 VanDerWaalsContact CG2-O 3.24Å; V215-T238 WeakPolarHBondContact CG2-O 3.5Å; V215-L244 HydrophobicContact CG2-CD1 3.94Å; V215-W582 HydrophobicContact CG1-CG 4.37Å; V215-W582 HydrophobicContact CG2-CZ2 4.14Å | ||
| 216 | H | 91.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 9% | 0.088 | 13% | 0.133 | C | C | . | . | trans | -154.1 | 156.1 | 172.6 | 59 | 102.2 | 0 | 0 | 0 | 109.8 | Q214 R218 R221 W228 V585 E589 | Q214-H216 PolarHBondContact O-CD2 3.4Å; Q214-H216 VanDerWaalsContact O-CD2 3.28Å; H216-R218 PolarHBondContact CE1-O 3.42Å; H216-R218 PolarHBondContact ND1-O 3.13Å; H216-R221 PolarHBondContact CD2-NH1 2.97Å; H216-R221 PolarHBondContact NE2-NH1 3.49Å; H216-W228 HydrophobicContact CB-CH2 3.99Å; H216-V585 WeakPolarHBondContact CE1-CG1 3.32Å; H216-E589 IonicContact CE1-OE1 3.19Å; H216-E589 PolarHBondContact CE1-OE1 2.67Å; H216-E589 IonicContact CE1-OE2 3.23Å; H216-E589 IonicContact NE2-OE1 2.71Å; H216-E589 PolarHBondContact NE2-OE1 2.73Å; H216-E589 IonicContact NE2-OE2 2.74Å; H216-E589 PolarHBondContact NE2-OE2 3.38Å | ||
| 217 | D | 88.8 | Confident | 94.1 | Very high | 79 Ų | 79 | 28.9 Ų | 28.9 | 42% | 0.422 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -91.4 | -1.9 | -164.4 | 67 | -20.5 | 0 | 0 | 0 | 114.5 | R222 | D217-R222 VanDerWaalsContact CG-NH2 3.31Å; D217-R222 IonicContact OD1-CZ 3.33Å; D217-R222 IonicContact OD1-NE 3.27Å; D217-R222 IonicContact OD1-NH2 3.02Å; D217-R222 PolarHBondContact OD1-NH2 2.97Å; D217-R222 IonicContact OD2-CZ 2.6Å; D217-R222 IonicContact OD2-NH2 3.42Å; D217-R222 PolarHBondContact OD2-NH2 2.98Å |
| 218 | R | 93.6 | Very high | 94 | Very high | 82 Ų | 82 | 27.9 Ų | 27.9 | 31% | 0.309 | 12% | 0.121 | S | C | . | . | trans | -144.7 | 141.2 | -176.2 | -60.4 | -169.9 | 74.8 | -162.5 | -4.2 | 111.5 | H216 R220 D696 D698 | H216-R218 PolarHBondContact CE1-O 3.42Å; H216-R218 PolarHBondContact ND1-O 3.13Å; R218-R220 VanDerWaalsContact C-N 3.28Å; R218-R220 PolarHBondContact O-N 3.41Å; R218-D696 IonicContact CZ-OD1 3.89Å; R218-D696 IonicContact NH2-OD1 3.97Å; R218-D696 PolarHBondContact NH2-OD1 3.45Å; R218-D696 VanDerWaalsContact NH2-OD1 3.13Å; R218-D698 VanDerWaalsContact CA-OD2 3.29Å; R218-D698 WeakPolarHBondContact CA-OD2 3.44Å; R218-D698 WeakPolarHBondContact CB-OD2 3.21Å; R218-D698 IonicContact NE-OD2 2.93Å | ||
| 219 | F | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -62.9 | -35 | 177.3 | -175 | -126.2 | 0 | 0 | 0 | 113.2 | Y209 V585 L588 E589 M592 P683 F685 D698 | Y209-F219 AromaticContact CD1-CD1 3.39Å; Y209-F219 HydrophobicContact CD1-CD1 3.39Å; Y209-F219 AromaticContact CD1-CE1 3.46Å; Y209-F219 HydrophobicContact CD1-CE1 3.46Å; Y209-F219 VanDerWaalsContact CD1-CE1 3.46Å; Y209-F219 HydrophobicContact CD1-CG 4.05Å; Y209-F219 HydrophobicContact CD1-CZ 4.18Å; Y209-F219 AromaticContact CE1-CD1 3.78Å; Y209-F219 HydrophobicContact CE1-CD1 3.78Å; Y209-F219 HydrophobicContact CE1-CE1 4.08Å; Y209-F219 HydrophobicContact CG-CD1 4.43Å; Y209-F219 HydrophobicContact CG-CE1 4.1Å; F219-V585 HydrophobicContact CB-CG2 4.46Å; F219-V585 HydrophobicContact CD2-CG1 4.39Å; F219-L588 HydrophobicContact CD2-CB 3.89Å; F219-L588 HydrophobicContact CD2-CD1 4.42Å; F219-L588 HydrophobicContact CE2-CB 3.6Å; F219-L588 HydrophobicContact CG-CD1 4.31Å; F219-L588 HydrophobicContact CZ-CB 4.02Å; F219-E589 HydrophobicContact CD2-CG 3.88Å; F219-E589 HydrophobicContact CE2-CG 3.64Å; F219-M592 HydrophobicContact CE2-SD 3.98Å; F219-M592 HydrophobicContact CZ-SD 3.58Å; F219-M592 VanDerWaalsContact CZ-SD 3.58Å; F219-P683 HydrophobicContact CD1-CB 4.12Å; F219-P683 HydrophobicContact CE1-CB 3.74Å; F219-P683 HydrophobicContact CE1-CG 3.69Å; F219-P683 HydrophobicContact CZ-CG 4.24Å; F219-F685 HydrophobicContact CD1-CE1 4.14Å; F219-F685 AromaticContact CE1-CE1 3.68Å; F219-F685 HydrophobicContact CE1-CE1 3.68Å; F219-F685 HydrophobicContact CE1-CZ 4.11Å; F219-D698 HydrophobicContact CB-CB 3.68Å |
| 220 | R | 97 | Very high | 93.8 | Very high | 42 Ų | 42 | 28 Ų | 28 | 16% | 0.158 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 128.4 | 171.9 | -178.8 | -175.4 | 173.5 | -179.4 | 3.5 | 110.5 | T206 F207 Y209 R218 D696 | T206-R220 PolarHBondContact O-NE 3.43Å; T206-R220 PolarHBondContact O-NH2 2.87Å; T206-R220 PolarHBondContact OG1-NH2 2.92Å; F207-R220 VanDerWaalsContact CD1-CZ 3.43Å; F207-R220 VanDerWaalsContact CE1-CZ 3.46Å; Y209-R220 HydrophobicContact CD1-CB 4.28Å; Y209-R220 HydrophobicContact CE1-CB 3.77Å; Y209-R220 HydrophobicContact CE1-CG 4.31Å; R218-R220 VanDerWaalsContact C-N 3.28Å; R218-R220 PolarHBondContact O-N 3.41Å; R220-D696 WeakPolarHBondContact CD-OD1 3.49Å; R220-D696 IonicContact CZ-OD1 3.03Å; R220-D696 IonicContact NH1-OD1 2.68Å; R220-D696 PolarHBondContact NH1-OD1 2.87Å; R220-D696 IonicContact NH1-OD2 3.67Å; R220-D696 PolarHBondContact NH1-OD2 2.86Å |
| 221 | R | 95.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 146.2 | 178 | -57.1 | -63.4 | -114.8 | 163.3 | 0.3 | 111.9 | I208 G210 L211 H216 L276 | I208-R221 HydrophobicContact CB-CB 4.48Å; I208-R221 HydrophobicContact CG2-CB 4.41Å; I208-R221 HydrophobicContact CG2-CG 4.38Å; I208-R221 PolarHBondContact O-N 3.3Å; G210-R221 WeakPolarHBondContact O-CD 3.47Å; G210-R221 PolarHBondContact O-NE 3.38Å; L211-R221 PolarHBondContact O-NH2 3.1Å; H216-R221 PolarHBondContact CD2-NH1 2.97Å; H216-R221 PolarHBondContact NE2-NH1 3.49Å; R221-L276 HydrophobicContact CB-CD1 3.7Å |
| 222 | R | 94.5 | Very high | 94.3 | Very high | 98 Ų | 98 | 28.4 Ų | 28.4 | 37% | 0.37 | 12% | 0.124 | S | C | . | . | P | Polyproline II helix | trans | -95.4 | 142.1 | 177.1 | -52.7 | -169.6 | -169.6 | -169.4 | 4.2 | 111 | D217 E224 | D217-R222 VanDerWaalsContact CG-NH2 3.31Å; D217-R222 IonicContact OD1-CZ 3.33Å; D217-R222 IonicContact OD1-NE 3.27Å; D217-R222 IonicContact OD1-NH2 3.02Å; D217-R222 PolarHBondContact OD1-NH2 2.97Å; D217-R222 IonicContact OD2-CZ 2.6Å; D217-R222 IonicContact OD2-NH2 3.42Å; D217-R222 PolarHBondContact OD2-NH2 2.98Å; R222-E224 HydrophobicContact CB-CB 4.46Å; R222-E224 HydrophobicContact CB-CG 3.88Å; R222-E224 VanDerWaalsContact CD-CD 3.41Å; R222-E224 WeakPolarHBondContact CD-OE1 3.37Å; R222-E224 VanDerWaalsContact CD-OE2 3.3Å; R222-E224 WeakPolarHBondContact CD-OE2 3.23Å; R222-E224 IonicContact NH1-OE1 3.35Å; R222-E224 PolarHBondContact NH1-OE1 3.14Å; R222-E224 IonicContact NH1-OE2 3.24Å; R222-E224 PolarHBondContact O-N 3.05Å |
| 223 | F | 95 | Very high | 94.4 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | trans | -96 | 77.9 | 173.7 | -74.5 | -104.8 | 0 | 0 | 0 | 108.3 | L203 T206 I208 L276 Q277 P278 P281 | L203-F223 HydrophobicContact CD1-CE1 4.48Å; L203-F223 HydrophobicContact CD1-CZ 4.25Å; T206-F223 HydrophobicContact CG2-CD2 3.87Å; T206-F223 HydrophobicContact CG2-CE2 3.99Å; T206-F223 HydrophobicContact CG2-CG 4.19Å; T206-F223 HydrophobicContact CG2-CZ 4.36Å; T206-F223 WeakPolarHBondContact O-CE2 3.23Å; I208-F223 HydrophobicContact CB-CE2 4.21Å; I208-F223 HydrophobicContact CB-CZ 4.41Å; I208-F223 HydrophobicContact CG1-CE2 3.76Å; I208-F223 HydrophobicContact CG1-CZ 3.55Å; F223-L276 CarbonylContact C-O 3.59Å; F223-L276 HydrophobicContact CB-CB 4.42Å; F223-L276 HydrophobicContact CD1-CB 3.74Å; F223-L276 HydrophobicContact CE1-CB 4.19Å; F223-L276 HydrophobicContact CE1-CD2 4.23Å; F223-L276 HydrophobicContact CE2-CD1 4.41Å; F223-L276 HydrophobicContact CG-CB 4.01Å; F223-L276 HydrophobicContact CZ-CD2 4.5Å; F223-Q277 WeakPolarHBondContact CD1-O 3.48Å; F223-P278 HydrophobicContact CB-CB 4.45Å; F223-P278 WeakPolarHBondContact O-CB 3.38Å; F223-P278 VanDerWaalsContact O-CD 3.27Å; F223-P278 WeakPolarHBondContact O-CD 3.29Å; F223-P278 WeakPolarHBondContact O-CG 3.48Å; F223-P281 HydrophobicContact CD1-CB 4.05Å; F223-P281 HydrophobicContact CE1-CB 3.46Å; F223-P281 VanDerWaalsContact CE1-CB 3.46Å; F223-P281 HydrophobicContact CZ-CB 3.85Å | ||
| 224 | E | 93.3 | Very high | 94.4 | Very high | 91 Ų | 91 | 30.4 Ų | 30.4 | 43% | 0.425 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -131.1 | 30.9 | -170.9 | -69.2 | 175.4 | 174.4 | 0 | 0 | 111.6 | R222 K226 L276 | R222-E224 HydrophobicContact CB-CB 4.46Å; R222-E224 HydrophobicContact CB-CG 3.88Å; R222-E224 VanDerWaalsContact CD-CD 3.41Å; R222-E224 WeakPolarHBondContact CD-OE1 3.37Å; R222-E224 VanDerWaalsContact CD-OE2 3.3Å; R222-E224 WeakPolarHBondContact CD-OE2 3.23Å; R222-E224 IonicContact NH1-OE1 3.35Å; R222-E224 PolarHBondContact NH1-OE1 3.14Å; R222-E224 IonicContact NH1-OE2 3.24Å; R222-E224 PolarHBondContact O-N 3.05Å; E224-K226 PolarHBondContact O-N 3.39Å; E224-L276 PolarHBondContact N-O 3.31Å |
| 225 | W | 93.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 32 Ų | 32 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | trans | 61.8 | -5.1 | 179.2 | -59.9 | 106.5 | 0 | 0 | 0 | 117.1 | R23 E49 D51 A52 P53 K227 T275 L276 Q277 P278 | R23-W225 HydrophobicContact CB-CH2 3.66Å; R23-W225 HydrophobicContact CB-CZ2 4.12Å; R23-W225 WeakPolarHBondContact O-CH2 3.44Å; R23-W225 WeakPolarHBondContact O-CZ3 3.32Å; E49-W225 VanDerWaalsContact CD-CD1 3.41Å; E49-W225 VanDerWaalsContact CD-NE1 3.33Å; E49-W225 PolarHBondContact OE2-NE1 3.38Å; D51-W225 HydrophobicContact CB-CB 3.97Å; A52-W225 HydrophobicContact CB-CD2 4.26Å; A52-W225 HydrophobicContact CB-CG 3.97Å; P53-W225 VanDerWaalsContact CD-CE3 3.47Å; P53-W225 HydrophobicContact CG-CE3 4.19Å; P53-W225 HydrophobicContact CG-CH2 4.41Å; P53-W225 HydrophobicContact CG-CZ3 3.94Å; W225-K227 PolarHBondContact O-N 3.38Å; W225-T275 HydrophobicContact CE3-CG2 4.19Å; W225-T275 VanDerWaalsContact O-CG2 3.23Å; W225-T275 WeakPolarHBondContact O-CG2 2.99Å; W225-L276 WeakPolarHBondContact CA-O 3.38Å; W225-L276 PolarHBondContact N-O 3.27Å; W225-Q277 HydrophobicContact CD2-CB 4.37Å; W225-Q277 HydrophobicContact CE3-CB 3.93Å; W225-Q277 HydrophobicContact CE3-CG 4.41Å; W225-Q277 HydrophobicContact CH2-CB 3.58Å; W225-Q277 HydrophobicContact CH2-CG 3.19Å; W225-Q277 HydrophobicContact CZ2-CB 4.05Å; W225-Q277 HydrophobicContact CZ2-CG 3.46Å; W225-Q277 VanDerWaalsContact CZ2-CG 3.46Å; W225-Q277 HydrophobicContact CZ3-CB 3.52Å; W225-Q277 HydrophobicContact CZ3-CG 3.73Å; W225-P278 VanDerWaalsContact NE1-CD 3.31Å | ||
| 226 | K | 92.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | trans | -54.9 | 128.2 | 178 | -153 | -174.5 | -123.1 | -160.2 | 0 | 110.8 | E224 W228 N241 | E224-K226 PolarHBondContact O-N 3.39Å; K226-W228 HydrophobicContact CB-CZ2 4.37Å; K226-W228 HydrophobicContact CD-CD2 4.36Å; K226-W228 HydrophobicContact CD-CH2 3.46Å; K226-W228 VanDerWaalsContact CD-CH2 3.46Å; K226-W228 HydrophobicContact CD-CZ2 3.18Å; K226-W228 HydrophobicContact CD-CZ3 4.13Å; K226-W228 HydrophobicContact CG-CZ2 4.16Å; K226-N241 VanDerWaalsContact CD-CG 3.45Å; K226-N241 WeakPolarHBondContact CD-ND2 3.06Å; K226-N241 WeakPolarHBondContact CD-OD1 3.37Å; K226-N241 VanDerWaalsContact CE-ND2 3.33Å; K226-N241 WeakPolarHBondContact CE-ND2 3.43Å; K226-N241 WeakPolarHBondContact CE-OD1 3.31Å; K226-N241 WeakPolarHBondContact CG-ND2 3.37Å; K226-N241 PolarHBondContact NZ-OD1 3.13Å | ||
| 227 | K | 92.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 17% | 0.174 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.2 | 174.5 | -173.8 | 175.7 | 67 | 163.1 | 0 | 109.6 | W225 D273 P501 L502 | W225-K227 PolarHBondContact O-N 3.38Å; K227-D273 HydrophobicContact CD-CB 3.98Å; K227-D273 HydrophobicContact CG-CB 3.62Å; K227-D273 WeakPolarHBondContact CG-OD1 3.36Å; K227-P501 WeakPolarHBondContact CE-O 3.31Å; K227-P501 PolarHBondContact NZ-O 2.82Å; K227-P501 VanDerWaalsContact NZ-O 3.13Å; K227-L502 PolarHBondContact NZ-O 2.79Å |
| 228 | W | 94.7 | Very high | 94.6 | Very high | 16 Ų | 16 | 29 Ų | 29 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.9 | -179.5 | -62.2 | 101.8 | 0 | 0 | 0 | 110.3 | Q214 H216 K226 F230 D273 I274 | Q214-W228 HydrophobicContact CB-CE3 4.03Å; Q214-W228 HydrophobicContact CB-CZ3 4.06Å; Q214-W228 HydrophobicContact CG-CE3 4.11Å; H216-W228 HydrophobicContact CB-CH2 3.99Å; K226-W228 HydrophobicContact CB-CZ2 4.37Å; K226-W228 HydrophobicContact CD-CD2 4.36Å; K226-W228 HydrophobicContact CD-CH2 3.46Å; K226-W228 VanDerWaalsContact CD-CH2 3.46Å; K226-W228 HydrophobicContact CD-CZ2 3.18Å; K226-W228 HydrophobicContact CD-CZ3 4.13Å; K226-W228 HydrophobicContact CG-CZ2 4.16Å; W228-F230 HydrophobicContact CB-CE2 4.32Å; W228-F230 VanDerWaalsContact O-CD2 3.3Å; W228-F230 WeakPolarHBondContact O-CD2 3.5Å; W228-F230 WeakPolarHBondContact O-CE2 3.47Å; W228-D273 CarbonylContact O-C 3.5Å; W228-D273 WeakPolarHBondContact O-CA 3.46Å; W228-D273 WeakPolarHBondContact O-CB 2.94Å; W228-I274 PolarHBondContact N-O 2.98Å; W228-I274 PolarHBondContact O-N 3.06Å |
| 229 | P | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 150.2 | -179.7 | 32.8 | -35.9 | 0 | 0 | 0 | 112.3 | Q214 N241 N243 L502 P503 | Q214-P229 PolarHBondContact NE2-O 3.38Å; Q214-P229 VanDerWaalsContact NE2-O 3.09Å; P229-N241 WeakPolarHBondContact CD-O 3.35Å; P229-N241 WeakPolarHBondContact CG-O 3.07Å; P229-N243 HydrophobicContact CB-CB 4.13Å; P229-N243 HydrophobicContact CG-CB 3.82Å; P229-L502 HydrophobicContact CB-CD2 3.94Å; P229-P503 HydrophobicContact CG-CG 4.34Å |
| 230 | F | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 94.5 | 177.5 | -72.9 | -104.2 | 0 | 0 | 0 | 108.4 | L211 W228 V247 P249 A271 L272 I274 | L211-F230 VanDerWaalsContact C-CZ 3.43Å; L211-F230 HydrophobicContact CB-CZ 4.13Å; L211-F230 WeakPolarHBondContact O-CE1 3.18Å; L211-F230 WeakPolarHBondContact O-CZ 3.05Å; W228-F230 HydrophobicContact CB-CE2 4.32Å; W228-F230 VanDerWaalsContact O-CD2 3.3Å; W228-F230 WeakPolarHBondContact O-CD2 3.5Å; W228-F230 WeakPolarHBondContact O-CE2 3.47Å; F230-V247 HydrophobicContact CB-CG1 4.17Å; F230-V247 HydrophobicContact CD1-CG1 4.29Å; F230-P249 HydrophobicContact CD1-CB 4Å; F230-P249 HydrophobicContact CE1-CB 3.84Å; F230-P249 HydrophobicContact CZ-CB 4.44Å; F230-A271 WeakPolarHBondContact O-CA 3.29Å; F230-L272 HydrophobicContact CB-CD1 3.47Å; F230-L272 VanDerWaalsContact CB-CD1 3.47Å; F230-L272 HydrophobicContact CB-CD2 4.42Å; F230-L272 HydrophobicContact CB-CG 3.54Å; F230-L272 HydrophobicContact CD1-CD1 4.21Å; F230-L272 HydrophobicContact CD2-CD1 3.31Å; F230-L272 HydrophobicContact CD2-CG 4.33Å; F230-L272 HydrophobicContact CE2-CD1 4Å; F230-L272 HydrophobicContact CG-CD1 3.42Å; F230-L272 VanDerWaalsContact CG-CD1 3.42Å; F230-L272 HydrophobicContact CG-CG 4.06Å; F230-L272 PolarHBondContact N-O 2.88Å; F230-L272 PolarHBondContact O-N 3.13Å; F230-L272 VanDerWaalsContact O-N 3.13Å; F230-I274 HydrophobicContact CD2-CG1 4.42Å; F230-I274 HydrophobicContact CE2-CB 3.96Å; F230-I274 HydrophobicContact CE2-CD1 3.74Å; F230-I274 HydrophobicContact CE2-CG1 3.8Å; F230-I274 HydrophobicContact CZ-CD1 3.79Å; F230-I274 HydrophobicContact CZ-CG1 4.36Å |
| 231 | M | 97.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | trans | -156.4 | 128.7 | 173.8 | -171.8 | 167.1 | 173.9 | 0 | 0 | 105.8 | R233 N243 A271 L502 F507 T511 M514 H527 N528 | M231-R233 PolarHBondContact O-N 2.85Å; M231-N243 VanDerWaalsContact O-CB 3.3Å; M231-N243 WeakPolarHBondContact O-CB 3.12Å; M231-N243 PolarHBondContact O-ND2 3.37Å; M231-A271 HydrophobicContact CB-CB 4.36Å; M231-A271 HydrophobicContact CG-CB 4.33Å; M231-A271 HydrophobicContact SD-CB 3.9Å; M231-L502 HydrophobicContact CB-CD2 3.86Å; M231-L502 HydrophobicContact SD-CD1 3.71Å; M231-L502 HydrophobicContact SD-CD2 3.95Å; M231-L502 HydrophobicContact SD-CG 4.31Å; M231-F507 HydrophobicContact CE-CE2 4.5Å; M231-F507 HydrophobicContact CE-CZ 4.33Å; M231-F507 HydrophobicContact SD-CE2 3.99Å; M231-F507 HydrophobicContact SD-CZ 4.22Å; M231-T511 HydrophobicContact CE-CG2 4.45Å; M231-M514 HydrophobicContact CE-CE 3.12Å; M231-M514 HydrophobicContact CE-SD 4.09Å; M231-H527 VanDerWaalsContact CG-CD2 3.48Å; M231-H527 WeakPolarHBondContact CG-CD2 3.27Å; M231-N528 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 232 | A | 97 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -62.6 | 137 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L244 Y245 V247 E477 H527 N528 | A232-L244 CarbonylContact C-O 3.57Å; A232-Y245 WeakPolarHBondContact CB-O 3.45Å; A232-V247 HydrophobicContact CB-CG2 4.16Å; A232-V247 VanDerWaalsContact N-CG2 3.32Å; A232-E477 HydrophobicContact CB-CB 3.95Å; A232-E477 HydrophobicContact CB-CG 3.82Å; A232-H527 PolarHBondContact O-NE2 2.95Å; A232-N528 PolarHBondContact N-OD1 3.41Å | ||
| 233 | R | 95.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | trans | -153.9 | 143 | -175.5 | 178.1 | 174.4 | 170.3 | 107.6 | -5.9 | 113.6 | M231 H235 N243 L244 Y245 Y504 D509 | M231-R233 PolarHBondContact O-N 2.85Å; R233-H235 VanDerWaalsContact C-N 3.31Å; R233-H235 HydrophobicContact CG-CB 4.01Å; R233-H235 PolarHBondContact O-N 3.11Å; R233-N243 WeakPolarHBondContact CB-ND2 3.34Å; R233-N243 WeakPolarHBondContact CD-ND2 3.35Å; R233-L244 PolarHBondContact N-O 3.47Å; R233-L244 CarbonylContact O-C 3.54Å; R233-Y245 VanDerWaalsContact O-CD1 3.3Å; R233-Y245 WeakPolarHBondContact O-CD1 3.36Å; R233-Y504 WeakPolarHBondContact CD-OH 3.43Å; R233-Y504 PolarHBondContact NH1-OH 2.82Å; R233-D509 IonicContact CZ-OD2 2.74Å; R233-D509 PolarHBondContact NH1-O 3.04Å; R233-D509 IonicContact NH1-OD2 3.65Å; R233-D509 PolarHBondContact NH1-OD2 3.44Å; R233-D509 IonicContact NH2-OD2 3.87Å; R233-D509 PolarHBondContact NH2-OD2 3.2Å | ||
| 234 | D | 95.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | trans | -69.9 | 83.4 | 164.3 | -176.1 | 20.7 | 0 | 0 | 0 | 111.1 | S479 K510 R556 | D234-S479 WeakPolarHBondContact CB-OG 3.24Å; D234-K510 HydrophobicContact CB-CB 4.49Å; D234-R556 IonicContact OD1-NH2 3.33Å | ||
| 235 | H | 93.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 17% | 0.167 | 13% | 0.127 | C | C | . | . | trans | -144.5 | 124.7 | 175.9 | -167.8 | -81.6 | 0 | 0 | 0 | 110.1 | R233 T238 Y242 L244 Y245 | R233-H235 VanDerWaalsContact C-N 3.31Å; R233-H235 HydrophobicContact CG-CB 4.01Å; R233-H235 PolarHBondContact O-N 3.11Å; H235-T238 PolarHBondContact CE1-OG1 2.95Å; H235-Y242 AromaticContact CE1-CD2 3.39Å; H235-Y242 WeakPolarHBondContact CE1-CD2 3.23Å; H235-Y242 AromaticContact CE1-CG 3.79Å; H235-Y242 AromaticContact NE2-CD2 3.44Å; H235-Y242 WeakPolarHBondContact NE2-CD2 3.35Å; H235-Y242 AromaticContact NE2-CE2 3.92Å; H235-Y242 AromaticContact NE2-CG 3.77Å; H235-L244 WeakPolarHBondContact O-CD2 3.5Å; H235-Y245 PolarHBondContact O-OH 3.39Å | ||
| 236 | A | 93.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 25 Ų | 25 | 17% | 0.165 | 13% | 0.126 | C | C | . | . | trans | -62 | 147.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T238 D572 I606 | A236-T238 PolarHBondContact O-N 2.78Å; A236-D572 HydrophobicContact CB-CB 4.2Å; A236-I606 HydrophobicContact CB-CD1 3.56Å | ||
| 237 | P | 93 | Very high | 92.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | trans | -55.9 | 105.5 | 172.9 | -26.8 | 36 | 0 | 0 | 0 | 112.6 | V215 L244 D572 W574 W582 | V215-P237 HydrophobicContact CG2-CB 3.57Å; P237-L244 HydrophobicContact CB-CD1 4.33Å; P237-L244 HydrophobicContact CG-CD1 4.13Å; P237-L244 HydrophobicContact CG-CD2 4.46Å; P237-D572 WeakPolarHBondContact CD-O 3.45Å; P237-W574 PolarHBondContact O-NE1 2.87Å; P237-W582 HydrophobicContact CB-CE3 4.35Å; P237-W582 HydrophobicContact CB-CH2 3.67Å; P237-W582 HydrophobicContact CB-CZ2 4.33Å; P237-W582 HydrophobicContact CB-CZ3 3.7Å; P237-W582 HydrophobicContact CG-CH2 3.48Å; P237-W582 VanDerWaalsContact CG-CH2 3.48Å; P237-W582 HydrophobicContact CG-CZ2 4.44Å; P237-W582 HydrophobicContact CG-CZ3 3.68Å | ||
| 238 | T | 90.2 | Very high | 93.2 | Very high | 26 Ų | 26 | 20.6 Ų | 20.6 | 16% | 0.16 | 11% | 0.106 | C | C | . | . | trans | -120.3 | 170.4 | 172.2 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | V215 H235 A236 D240 | V215-T238 WeakPolarHBondContact CB-O 3.26Å; V215-T238 WeakPolarHBondContact CG1-O 3.44Å; V215-T238 VanDerWaalsContact CG2-O 3.24Å; V215-T238 WeakPolarHBondContact CG2-O 3.5Å; H235-T238 PolarHBondContact CE1-OG1 2.95Å; A236-T238 PolarHBondContact O-N 2.78Å; T238-D240 PolarHBondContact O-N 3.24Å; T238-D240 VanDerWaalsContact O-N 3.12Å; T238-D240 PolarHBondContact OG1-OD2 3.14Å | ||
| 239 | D | 85.3 | Confident | 93.3 | Very high | 77 Ų | 77 | 19.8 Ų | 19.8 | 41% | 0.412 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -73.1 | 0 | -178.5 | -69.3 | -20.5 | 0 | 0 | 0 | 114.4 | K578 | D239-K578 WeakPolarHBondContact OD1-CD 3.3Å; D239-K578 WeakPolarHBondContact OD1-CE 3.3Å; D239-K578 IonicContact OD1-NZ 2.85Å; D239-K578 PolarHBondContact OD1-NZ 2.75Å; D239-K578 IonicContact OD2-NZ 3.04Å; D239-K578 PolarHBondContact OD2-NZ 2.93Å |
| 240 | D | 78.8 | Confident | 93.5 | Very high | 88 Ų | 88 | 19.8 Ų | 19.8 | 47% | 0.471 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -87.8 | 155.9 | -178.8 | -49.5 | -53.5 | 0 | 0 | 0 | 109.5 | T238 Y242 | T238-D240 PolarHBondContact O-N 3.24Å; T238-D240 VanDerWaalsContact O-N 3.12Å; T238-D240 PolarHBondContact OG1-OD2 3.14Å; D240-Y242 HydrophobicContact CB-CD2 3.26Å; D240-Y242 HydrophobicContact CB-CE2 3.23Å; D240-Y242 HydrophobicContact CB-CG 4.37Å; D240-Y242 PolarHBondContact O-N 3.47Å |
| 241 | N | 78.8 | Confident | 93.5 | Very high | 38 Ų | 38 | 19.7 Ų | 19.7 | 20% | 0.203 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -72.9 | 29.7 | -175.7 | -56.6 | -22.5 | 0 | 0 | 0 | 113.9 | K226 P229 | K226-N241 VanDerWaalsContact CD-CG 3.45Å; K226-N241 WeakPolarHBondContact CD-ND2 3.06Å; K226-N241 WeakPolarHBondContact CD-OD1 3.37Å; K226-N241 VanDerWaalsContact CE-ND2 3.33Å; K226-N241 WeakPolarHBondContact CE-ND2 3.43Å; K226-N241 WeakPolarHBondContact CE-OD1 3.31Å; K226-N241 WeakPolarHBondContact CG-ND2 3.37Å; K226-N241 PolarHBondContact NZ-OD1 3.13Å; P229-N241 WeakPolarHBondContact CD-O 3.35Å; P229-N241 WeakPolarHBondContact CG-O 3.07Å |
| 242 | Y | 89.5 | Confident | 93.6 | Very high | 65 Ų | 65 | 19.4 Ų | 19.4 | 26% | 0.255 | 10% | 0.101 | S | C | . | . | trans | -71.8 | 144.8 | -179.7 | -65.9 | -71.4 | 0 | 0 | 0 | 110.6 | H235 D240 P503 Y504 | H235-Y242 AromaticContact CE1-CD2 3.39Å; H235-Y242 WeakPolarHBondContact CE1-CD2 3.23Å; H235-Y242 AromaticContact CE1-CG 3.79Å; H235-Y242 AromaticContact NE2-CD2 3.44Å; H235-Y242 WeakPolarHBondContact NE2-CD2 3.35Å; H235-Y242 AromaticContact NE2-CE2 3.92Å; H235-Y242 AromaticContact NE2-CG 3.77Å; D240-Y242 HydrophobicContact CB-CD2 3.26Å; D240-Y242 HydrophobicContact CB-CE2 3.23Å; D240-Y242 HydrophobicContact CB-CG 4.37Å; D240-Y242 PolarHBondContact O-N 3.47Å; Y242-P503 HydrophobicContact CD1-CG 3.87Å; Y242-P503 HydrophobicContact CE1-CG 4.03Å; Y242-Y504 AromaticContact CD1-CD1 3.64Å; Y242-Y504 HydrophobicContact CD1-CD1 3.64Å; Y242-Y504 AromaticContact CD1-CE1 3.58Å; Y242-Y504 HydrophobicContact CD1-CE1 3.58Å; Y242-Y504 AromaticContact CE1-CD1 3.42Å; Y242-Y504 HydrophobicContact CE1-CD1 3.42Å; Y242-Y504 VanDerWaalsContact CE1-CD1 3.42Å; Y242-Y504 AromaticContact CE1-CE1 3.88Å; Y242-Y504 HydrophobicContact CE1-CE1 3.88Å; Y242-Y504 HydrophobicContact CE1-CG 4.37Å | ||
| 243 | N | 93.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -68.4 | 141.6 | 164.1 | 47.3 | -61.5 | 0 | 0 | 0 | 109.7 | P229 M231 R233 Y504 | P229-N243 HydrophobicContact CB-CB 4.13Å; P229-N243 HydrophobicContact CG-CB 3.82Å; M231-N243 VanDerWaalsContact O-CB 3.3Å; M231-N243 WeakPolarHBondContact O-CB 3.12Å; M231-N243 PolarHBondContact O-ND2 3.37Å; R233-N243 WeakPolarHBondContact CB-ND2 3.34Å; R233-N243 WeakPolarHBondContact CD-ND2 3.35Å; N243-Y504 PolarHBondContact ND2-OH 2.9Å; N243-Y504 PolarHBondContact OD1-OH 3.37Å |
| 244 | L | 95.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | trans | -106 | -138.8 | 175.4 | -55.4 | 178.2 | 0 | 0 | 0 | 109.5 | E213 V215 A232 R233 H235 P237 W582 | E213-L244 HydrophobicContact CG-CB 4.06Å; E213-L244 HydrophobicContact CG-CD1 4.09Å; E213-L244 PolarHBondContact O-N 2.96Å; V215-L244 HydrophobicContact CG2-CD1 3.94Å; A232-L244 CarbonylContact C-O 3.57Å; R233-L244 PolarHBondContact N-O 3.47Å; R233-L244 CarbonylContact O-C 3.54Å; H235-L244 WeakPolarHBondContact O-CD2 3.5Å; P237-L244 HydrophobicContact CB-CD1 4.33Å; P237-L244 HydrophobicContact CG-CD1 4.13Å; P237-L244 HydrophobicContact CG-CD2 4.46Å; L244-W582 HydrophobicContact CD1-CH2 4.14Å; L244-W582 HydrophobicContact CD1-CZ2 3.88Å | ||
| 245 | Y | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -87.8 | -30.9 | -163.5 | -48.9 | -69.5 | 0 | 0 | 0 | 113.8 | E213 A232 R233 H235 E477 R556 S557 S558 G571 D572 | E213-Y245 PolarHBondContact OE2-N 3.36Å; A232-Y245 WeakPolarHBondContact CB-O 3.45Å; R233-Y245 VanDerWaalsContact O-CD1 3.3Å; R233-Y245 WeakPolarHBondContact O-CD1 3.36Å; H235-Y245 PolarHBondContact O-OH 3.39Å; Y245-E477 VanDerWaalsContact CB-OE1 3.29Å; Y245-E477 WeakPolarHBondContact CB-OE1 3.43Å; Y245-E477 HydrophobicContact CD1-CG 4.32Å; Y245-E477 VanDerWaalsContact CD1-OE1 3.31Å; Y245-E477 WeakPolarHBondContact CD1-OE1 3.3Å; Y245-R556 WeakPolarHBondContact CB-O 3.11Å; Y245-R556 HydrophobicContact CD1-CG 3.6Å; Y245-R556 HydrophobicContact CD2-CG 4.21Å; Y245-R556 HydrophobicContact CE1-CG 4Å; Y245-R556 HydrophobicContact CG-CG 3.67Å; Y245-S557 WeakPolarHBondContact O-CA 3.39Å; Y245-S557 PolarHBondContact O-OG 3.41Å; Y245-S558 PolarHBondContact O-N 2.76Å; Y245-G571 VanDerWaalsContact CE2-CA 3.41Å; Y245-D572 PolarHBondContact OH-N 3.41Å |
| 246 | G | 97.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E213 S558 | E213-G246 VanDerWaalsContact OE2-CA 3.3Å; E213-G246 WeakPolarHBondContact OE2-CA 3.4Å; E213-G246 PolarHBondContact OE2-N 2.95Å; G246-S558 CarbonylContact C-O 3.56Å; G246-S558 VanDerWaalsContact CA-O 3.29Å; G246-S558 WeakPolarHBondContact CA-O 3.43Å; G246-S558 WeakPolarHBondContact CA-OG 3.39Å |
| 247 | V | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 99.2 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | F230 A232 N528 S558 F559 | F230-V247 HydrophobicContact CB-CG1 4.17Å; F230-V247 HydrophobicContact CD1-CG1 4.29Å; A232-V247 HydrophobicContact CB-CG2 4.16Å; A232-V247 VanDerWaalsContact N-CG2 3.32Å; V247-N528 HydrophobicContact CB-CB 4.42Å; V247-N528 HydrophobicContact CG1-CB 4.38Å; V247-N528 HydrophobicContact CG2-CB 4.35Å; V247-S558 PolarHBondContact N-O 3.42Å; V247-F559 HydrophobicContact CB-CD2 3.87Å; V247-F559 HydrophobicContact CB-CE2 4.22Å; V247-F559 HydrophobicContact CG1-CD2 3.99Å; V247-F559 HydrophobicContact CG1-CE2 3.81Å; V247-F559 WeakPolarHBondContact O-CD2 3.49Å |
| 248 | H | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -130.7 | 77.3 | -177.2 | -61.8 | -81.7 | 0 | 0 | 0 | 111.7 | G212 F250 S558 F559 F593 | G212-H248 WeakPolarHBondContact CA-O 3.48Å; G212-H248 PolarHBondContact N-O 3.14Å; H248-F250 PolarHBondContact O-N 2.88Å; H248-S558 PolarHBondContact NE2-OG 3.11Å; H248-F559 PolarHBondContact CE1-O 2.79Å; H248-F593 HydrophobicContact CB-CB 4.21Å; H248-F593 HydrophobicContact CB-CD1 3.5Å; H248-F593 VanDerWaalsContact CB-CD1 3.5Å; H248-F593 HydrophobicContact CB-CD2 3.91Å; H248-F593 HydrophobicContact CB-CE1 3.75Å; H248-F593 HydrophobicContact CB-CE2 4.14Å; H248-F593 HydrophobicContact CB-CG 3.6Å; H248-F593 HydrophobicContact CB-CZ 4.07Å; H248-F593 AromaticContact CD2-CD2 3.79Å; H248-F593 AromaticContact CD2-CG 4Å; H248-F593 AromaticContact CG-CD2 3.85Å; H248-F593 AromaticContact CG-CG 3.61Å | ||
| 249 | P | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -76.1 | 57.6 | -177.8 | 34.7 | -38.8 | 0 | 0 | 0 | 112.2 | F230 L265 F266 L272 | F230-P249 HydrophobicContact CD1-CB 4Å; F230-P249 HydrophobicContact CE1-CB 3.84Å; F230-P249 HydrophobicContact CZ-CB 4.44Å; P249-L265 HydrophobicContact CG-CD1 4.48Å; P249-F266 HydrophobicContact CB-CB 4.27Å; P249-F266 WeakPolarHBondContact CG-O 3.4Å; P249-F266 PolarHBondContact O-N 2.87Å; P249-L272 HydrophobicContact CB-CD1 4.43Å; P249-L272 HydrophobicContact CB-CD2 4.28Å; P249-L272 HydrophobicContact CG-CD2 4.39Å | ||
| 250 | F | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.7 | 179 | 171.6 | -98.4 | 0 | 0 | 0 | 110.2 | L211 H248 L252 V264 L265 F297 V305 L306 Y309 M592 | L211-F250 WeakPolarHBondContact CA-O 3.43Å; L211-F250 PolarHBondContact N-O 3Å; H248-F250 PolarHBondContact O-N 2.88Å; F250-L252 HydrophobicContact CE1-CB 4.39Å; F250-V264 VanDerWaalsContact CA-O 3.3Å; F250-V264 WeakPolarHBondContact CA-O 3.3Å; F250-V264 WeakPolarHBondContact CD2-O 3.35Å; F250-L265 HydrophobicContact CB-CD1 4.09Å; F250-L265 HydrophobicContact CD2-CB 4.09Å; F250-F297 AromaticContact CE2-CD2 3.98Å; F250-F297 HydrophobicContact CE2-CD2 3.98Å; F250-F297 HydrophobicContact CE2-CE2 4.14Å; F250-V305 HydrophobicContact CZ-CG1 4.1Å; F250-L306 HydrophobicContact CE1-CD2 3.83Å; F250-L306 HydrophobicContact CZ-CD2 4.07Å; F250-Y309 HydrophobicContact CB-CE1 4.2Å; F250-Y309 HydrophobicContact CD1-CD1 4.08Å; F250-Y309 AromaticContact CD1-CE1 3.88Å; F250-Y309 HydrophobicContact CD1-CE1 3.88Å; F250-Y309 AromaticContact CD2-CD1 3.95Å; F250-Y309 HydrophobicContact CD2-CD1 3.95Å; F250-Y309 HydrophobicContact CD2-CD2 4.06Å; F250-Y309 AromaticContact CD2-CE1 3.96Å; F250-Y309 HydrophobicContact CD2-CE1 3.96Å; F250-Y309 HydrophobicContact CD2-CE2 4.06Å; F250-Y309 HydrophobicContact CD2-CG 4.02Å; F250-Y309 AromaticContact CE1-CD1 3.95Å; F250-Y309 HydrophobicContact CE1-CD1 3.95Å; F250-Y309 HydrophobicContact CE1-CE1 4.23Å; F250-Y309 AromaticContact CE2-CD1 3.82Å; F250-Y309 HydrophobicContact CE2-CD1 3.82Å; F250-Y309 HydrophobicContact CE2-CD2 4.13Å; F250-Y309 HydrophobicContact CE2-CE1 4.3Å; F250-Y309 AromaticContact CE2-CG 3.74Å; F250-Y309 HydrophobicContact CE2-CG 3.74Å; F250-Y309 HydrophobicContact CG-CD1 4.08Å; F250-Y309 AromaticContact CG-CE1 3.73Å; F250-Y309 HydrophobicContact CG-CE1 3.73Å; F250-Y309 HydrophobicContact CG-CE2 4.43Å; F250-Y309 AromaticContact CG-CZ 3.94Å; F250-Y309 AromaticContact CZ-CD1 3.82Å; F250-Y309 HydrophobicContact CZ-CD1 3.82Å; F250-Y309 HydrophobicContact CZ-CE1 4.43Å; F250-Y309 HydrophobicContact CZ-CG 4.08Å; F250-M592 HydrophobicContact CD1-CE 4.18Å; F250-M592 HydrophobicContact CE1-CB 4.39Å; F250-M592 HydrophobicContact CE1-CE 3.86Å |
| 251 | Y | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 155.2 | 166.2 | 75 | -103.3 | 0 | 0 | 0 | 112.8 | I182 L203 I208 Y209 L211 C253 H262 G263 V264 F266 L283 | I182-Y251 WeakPolarHBondContact CG2-OH 3.3Å; L203-Y251 WeakPolarHBondContact CD2-OH 3.3Å; I208-Y251 HydrophobicContact CD1-CD2 3.91Å; I208-Y251 HydrophobicContact CD1-CE2 4.12Å; I208-Y251 HydrophobicContact CG2-CG 4.3Å; Y209-Y251 VanDerWaalsContact O-CA 3.25Å; Y209-Y251 WeakPolarHBondContact O-CA 3.45Å; L211-Y251 HydrophobicContact CD2-CD1 4.2Å; L211-Y251 HydrophobicContact CD2-CG 4.45Å; Y251-C253 HydrophobicContact CD2-CB 3.91Å; Y251-C253 HydrophobicContact CE2-CB 3.61Å; Y251-H262 AromaticContact CE2-CD2 3.95Å; Y251-H262 AromaticContact CE2-NE2 3.48Å; Y251-H262 WeakPolarHBondContact CE2-NE2 3.35Å; Y251-H262 AromaticContact CZ-NE2 3.72Å; Y251-H262 PolarHBondContact OH-NE2 2.94Å; Y251-G263 CarbonylContact O-C 3.51Å; Y251-G263 WeakPolarHBondContact O-CA 3.46Å; Y251-V264 HydrophobicContact CD1-CB 4.1Å; Y251-V264 HydrophobicContact CE1-CB 3.54Å; Y251-V264 HydrophobicContact CE1-CG1 4.36Å; Y251-V264 HydrophobicContact CE1-CG2 3.86Å; Y251-V264 HydrophobicContact CE2-CB 4.35Å; Y251-V264 HydrophobicContact CE2-CG2 4.1Å; Y251-V264 VanDerWaalsContact CZ-CG2 3.45Å; Y251-V264 PolarHBondContact N-O 2.93Å; Y251-V264 PolarHBondContact O-N 2.85Å; Y251-V264 WeakPolarHBondContact OH-CG2 3.29Å; Y251-F266 AromaticContact CD1-CE2 3.74Å; Y251-F266 HydrophobicContact CD1-CE2 3.74Å; Y251-F266 HydrophobicContact CD1-CZ 4.28Å; Y251-F266 AromaticContact CE1-CE2 3.76Å; Y251-F266 HydrophobicContact CE1-CE2 3.76Å; Y251-F266 AromaticContact CE1-CZ 3.81Å; Y251-F266 HydrophobicContact CE1-CZ 3.81Å; Y251-L283 HydrophobicContact CD1-CD1 3.91Å; Y251-L283 HydrophobicContact CE1-CD1 3.98Å |
| 252 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.1 | 160.7 | -177.4 | 150.6 | 0 | 0 | 0 | 109.4 | I208 Y209 F250 M254 P302 V305 L306 M592 F685 F686 | I208-L252 WeakPolarHBondContact CA-O 3.5Å; Y209-L252 HydrophobicContact CD2-CD2 3.89Å; Y209-L252 HydrophobicContact CE2-CD2 4.5Å; Y209-L252 PolarHBondContact N-O 3.04Å; Y209-L252 PolarHBondContact O-N 3.04Å; F250-L252 HydrophobicContact CE1-CB 4.39Å; L252-M254 HydrophobicContact CD2-CG 4.45Å; L252-M254 HydrophobicContact CD2-SD 4.05Å; L252-P302 HydrophobicContact CD1-CB 3.74Å; L252-P302 HydrophobicContact CD2-CB 4.25Å; L252-V305 HydrophobicContact CD1-CB 4.29Å; L252-V305 HydrophobicContact CD1-CG1 4.16Å; L252-V305 HydrophobicContact CG-CG1 4.46Å; L252-L306 HydrophobicContact CD1-CD2 4.26Å; L252-L306 HydrophobicContact CD1-CG 4.45Å; L252-M592 HydrophobicContact CB-CE 3.46Å; L252-M592 VanDerWaalsContact CB-CE 3.46Å; L252-F685 HydrophobicContact CD2-CE2 3.94Å; L252-F685 HydrophobicContact CD2-CZ 4.27Å; L252-F686 HydrophobicContact CD1-CE1 4.35Å; L252-F686 HydrophobicContact CD1-CZ 4.45Å |
| 253 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.8 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 110 | F207 I208 Y251 A261 H262 | F207-C253 VanDerWaalsContact O-CA 3.3Å; F207-C253 WeakPolarHBondContact O-CA 3.31Å; I208-C253 HydrophobicContact CD1-CB 3.42Å; I208-C253 VanDerWaalsContact CD1-CB 3.42Å; I208-C253 VanDerWaalsContact CD1-SG 3.52Å; Y251-C253 HydrophobicContact CD2-CB 3.91Å; Y251-C253 HydrophobicContact CE2-CB 3.61Å; C253-A261 WeakPolarHBondContact O-CA 3.41Å; C253-A261 WeakPolarHBondContact O-CB 3.39Å; C253-H262 WeakPolarHBondContact CB-CE1 3.19Å; C253-H262 PolarHBondContact N-O 2.9Å; C253-H262 PolarHBondContact O-N 2.93Å; C253-H262 VanDerWaalsContact O-N 3.07Å |
| 254 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.9 | 163.6 | -60.1 | -59.6 | -58.2 | 0 | 0 | 108.3 | S205 F207 Y209 L252 A261 P302 F685 P689 | S205-M254 WeakPolarHBondContact CB-O 3.14Å; S205-M254 PolarHBondContact OG-O 2.98Å; F207-M254 HydrophobicContact CB-CB 3.79Å; F207-M254 HydrophobicContact CB-CG 4.34Å; F207-M254 HydrophobicContact CG-CB 4.46Å; F207-M254 PolarHBondContact O-N 2.88Å; Y209-M254 HydrophobicContact CE2-CG 4Å; L252-M254 HydrophobicContact CD2-CG 4.45Å; L252-M254 HydrophobicContact CD2-SD 4.05Å; M254-A261 HydrophobicContact CE-CB 4.42Å; M254-A261 HydrophobicContact SD-CB 3.85Å; M254-P302 HydrophobicContact SD-CB 4.31Å; M254-P302 HydrophobicContact SD-CG 4.29Å; M254-F685 HydrophobicContact CG-CD2 4.22Å; M254-F685 HydrophobicContact CG-CE2 4.13Å; M254-F685 HydrophobicContact SD-CD2 3.73Å; M254-F685 HydrophobicContact SD-CE2 3.71Å; M254-P689 HydrophobicContact CE-CB 3.85Å |
| 255 | E | 97.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | trans | -73 | -43.2 | -171.1 | -69.3 | 168.9 | -153.8 | 0 | 0 | 113 | R174 T179 L181 P204 N260 H262 | R174-E255 IonicContact CZ-OE1 3.78Å; R174-E255 IonicContact CZ-OE2 3.84Å; R174-E255 IonicContact NE-OE1 3.73Å; R174-E255 PolarHBondContact NE-OE1 2.86Å; R174-E255 IonicContact NE-OE2 2.69Å; R174-E255 PolarHBondContact NE-OE2 2.84Å; R174-E255 IonicContact NH2-OE1 3.61Å; R174-E255 PolarHBondContact NH2-OE1 2.92Å; R174-E255 IonicContact NH2-OE2 3.38Å; T179-E255 HydrophobicContact CG2-CB 4.26Å; L181-E255 HydrophobicContact CD2-CG 3.87Å; L181-E255 VanDerWaalsContact CD2-OE1 3.29Å; L181-E255 WeakPolarHBondContact CD2-OE1 3.14Å; L181-E255 WeakPolarHBondContact CD2-OE2 3.07Å; P204-E255 HydrophobicContact CG-CB 4.39Å; P204-E255 HydrophobicContact CG-CG 4.18Å; E255-N260 HydrophobicContact CB-CB 4.17Å; E255-N260 WeakPolarHBondContact CB-O 3.27Å; E255-N260 PolarHBondContact N-O 3.34Å; E255-H262 WeakPolarHBondContact CG-ND1 3.22Å; E255-H262 WeakPolarHBondContact OE1-CB 3.41Å; E255-H262 IonicContact OE1-CG 3.24Å; E255-H262 PolarHBondContact OE1-N 3.14Å; E255-H262 IonicContact OE1-ND1 2.65Å | ||
| 256 | D | 96.9 | Very high | 98.2 | Very high | 32 Ų | 32 | 13.6 Ų | 13.6 | 17% | 0.171 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -153.5 | 179.8 | -168.3 | 64.2 | 25.7 | 0 | 0 | 0 | 111.8 | N258 G259 N260 R695 | D256-N258 PolarHBondContact O-N 3.09Å; D256-N258 WeakPolarHBondContact OD1-CA 3.44Å; D256-N258 WeakPolarHBondContact OD1-CB 3.36Å; D256-N258 PolarHBondContact OD1-N 3.41Å; D256-G259 PolarHBondContact O-N 3.49Å; D256-G259 PolarHBondContact OD1-N 2.84Å; D256-N260 PolarHBondContact OD1-N 2.88Å; D256-N260 PolarHBondContact OD1-ND2 3.07Å; D256-N260 PolarHBondContact OD2-ND2 3Å; D256-R695 PolarHBondContact O-NH1 3.04Å; D256-R695 PolarHBondContact O-NH2 3.3Å |
| 257 | D | 97.1 | Very high | 98.2 | Very high | 101 Ų | 101 | 13.5 Ų | 13.5 | 54% | 0.54 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8 | 179.8 | -63.3 | -10.9 | 0 | 0 | 0 | 113.2 | G259 L692 R695 | D257-G259 PolarHBondContact O-N 2.79Å; D257-L692 HydrophobicContact CB-CD2 4.17Å; D257-L692 WeakPolarHBondContact OD1-CD2 3.31Å; D257-R695 IonicContact OD1-NH1 3.6Å |
| 258 | N | 97.1 | Very high | 98.1 | Very high | 108 Ų | 108 | 13.7 Ų | 13.7 | 58% | 0.578 | 7% | 0.074 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.7 | 175.3 | -65.7 | -52.7 | 0 | 0 | 0 | 112.7 | D256 K690 | D256-N258 PolarHBondContact O-N 3.09Å; D256-N258 WeakPolarHBondContact OD1-CA 3.44Å; D256-N258 WeakPolarHBondContact OD1-CB 3.36Å; D256-N258 PolarHBondContact OD1-N 3.41Å; N258-K690 WeakPolarHBondContact O-CE 3.42Å; N258-K690 WeakPolarHBondContact O-CG 3.25Å |
| 259 | G | 97.3 | Very high | 98 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 4% | 0.041 | 8% | 0.079 | C | C | . | . | trans | 83.8 | 16.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D256 D257 P689 | D256-G259 PolarHBondContact O-N 3.49Å; D256-G259 PolarHBondContact OD1-N 2.84Å; D257-G259 PolarHBondContact O-N 2.79Å; G259-P689 WeakPolarHBondContact CA-O 3.5Å | ||
| 260 | N | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 15.7 Ų | 15.7 | 15% | 0.15 | 8% | 0.084 | C | C | . | . | trans | -68.6 | 143 | 170.1 | -64.5 | -60.8 | 0 | 0 | 0 | 109.7 | E255 D256 P300 | E255-N260 HydrophobicContact CB-CB 4.17Å; E255-N260 WeakPolarHBondContact CB-O 3.27Å; E255-N260 PolarHBondContact N-O 3.34Å; D256-N260 PolarHBondContact OD1-N 2.88Å; D256-N260 PolarHBondContact OD1-ND2 3.07Å; D256-N260 PolarHBondContact OD2-ND2 3Å; N260-P300 CarbonylContact C-O 3.6Å; N260-P300 WeakPolarHBondContact CA-O 3.29Å | ||
| 261 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R174 C253 M254 L298 P300 P302 V305 | R174-A261 PolarHBondContact NH2-O 3.29Å; C253-A261 WeakPolarHBondContact O-CA 3.41Å; C253-A261 WeakPolarHBondContact O-CB 3.39Å; M254-A261 HydrophobicContact CE-CB 4.42Å; M254-A261 HydrophobicContact SD-CB 3.85Å; A261-L298 CarbonylContact O-C 3.59Å; A261-P300 PolarHBondContact N-O 2.79Å; A261-P302 HydrophobicContact CB-CB 4.41Å; A261-V305 HydrophobicContact CB-CG2 4.05Å; A261-V305 WeakPolarHBondContact O-CG2 3.04Å |
| 262 | H | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 163.2 | 166.3 | 73.5 | -81.4 | 0 | 0 | 0 | 110.3 | L181 Y251 C253 E255 F297 | L181-H262 HydrophobicContact CD1-CB 4.18Å; L181-H262 PolarHBondContact O-CE1 2.92Å; L181-H262 PolarHBondContact O-NE2 3.32Å; Y251-H262 AromaticContact CE2-CD2 3.95Å; Y251-H262 AromaticContact CE2-NE2 3.48Å; Y251-H262 WeakPolarHBondContact CE2-NE2 3.35Å; Y251-H262 AromaticContact CZ-NE2 3.72Å; Y251-H262 PolarHBondContact OH-NE2 2.94Å; C253-H262 WeakPolarHBondContact CB-CE1 3.19Å; C253-H262 PolarHBondContact N-O 2.9Å; C253-H262 PolarHBondContact O-N 2.93Å; C253-H262 VanDerWaalsContact O-N 3.07Å; E255-H262 WeakPolarHBondContact CG-ND1 3.22Å; E255-H262 WeakPolarHBondContact OE1-CB 3.41Å; E255-H262 IonicContact OE1-CG 3.24Å; E255-H262 PolarHBondContact OE1-N 3.14Å; E255-H262 IonicContact OE1-ND1 2.65Å; H262-F297 CarbonylContact C-O 3.5Å; H262-F297 WeakPolarHBondContact CA-O 3.14Å; H262-F297 VanDerWaalsContact CB-O 3.3Å; H262-F297 WeakPolarHBondContact CB-O 3.43Å |
| 263 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y251 I296 F297 | Y251-G263 CarbonylContact O-C 3.51Å; Y251-G263 WeakPolarHBondContact O-CA 3.46Å; G263-I296 WeakPolarHBondContact O-CA 3.39Å; G263-F297 PolarHBondContact N-O 2.86Å; G263-F297 PolarHBondContact O-N 2.95Å |
| 264 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | I182 F250 Y251 F266 F295 I296 | I182-V264 HydrophobicContact CG2-CG2 4.26Å; F250-V264 VanDerWaalsContact CA-O 3.3Å; F250-V264 WeakPolarHBondContact CA-O 3.3Å; F250-V264 WeakPolarHBondContact CD2-O 3.35Å; Y251-V264 HydrophobicContact CD1-CB 4.1Å; Y251-V264 HydrophobicContact CE1-CB 3.54Å; Y251-V264 HydrophobicContact CE1-CG1 4.36Å; Y251-V264 HydrophobicContact CE1-CG2 3.86Å; Y251-V264 HydrophobicContact CE2-CB 4.35Å; Y251-V264 HydrophobicContact CE2-CG2 4.1Å; Y251-V264 VanDerWaalsContact CZ-CG2 3.45Å; Y251-V264 PolarHBondContact N-O 2.93Å; Y251-V264 PolarHBondContact O-N 2.85Å; Y251-V264 WeakPolarHBondContact OH-CG2 3.29Å; V264-F266 HydrophobicContact CG1-CD1 4.21Å; V264-F266 HydrophobicContact CG1-CE1 3.87Å; V264-F266 HydrophobicContact CG1-CE2 4.32Å; V264-F266 HydrophobicContact CG1-CZ 3.93Å; V264-F295 CarbonylContact C-O 3.54Å; V264-F295 WeakPolarHBondContact CA-O 3.33Å; V264-I296 HydrophobicContact CG1-CG1 4.43Å; V264-I296 HydrophobicContact CG2-CG1 4.17Å; V264-I296 HydrophobicContact CG2-CG2 4.27Å |
| 265 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.1 | 166.4 | 173.6 | 72.1 | 0 | 0 | 0 | 109.1 | M140 P249 F250 F267 M294 F295 F297 Y309 L312 I313 V560 | M140-L265 HydrophobicContact CE-CD2 4.3Å; P249-L265 HydrophobicContact CG-CD1 4.48Å; F250-L265 HydrophobicContact CB-CD1 4.09Å; F250-L265 HydrophobicContact CD2-CB 4.09Å; L265-F267 HydrophobicContact CD2-CB 3.85Å; L265-F267 HydrophobicContact CD2-CD2 4.17Å; L265-F267 HydrophobicContact CD2-CG 4.44Å; L265-F267 HydrophobicContact CG-CB 4.01Å; L265-F267 PolarHBondContact O-N 3.39Å; L265-M294 WeakPolarHBondContact O-CA 3.33Å; L265-F295 HydrophobicContact CB-CB 4.21Å; L265-F295 HydrophobicContact CB-CD2 4.45Å; L265-F295 HydrophobicContact CD2-CD2 3.78Å; L265-F295 HydrophobicContact CD2-CE2 4.37Å; L265-F295 HydrophobicContact CG-CD2 4.35Å; L265-F295 PolarHBondContact N-O 2.85Å; L265-F295 PolarHBondContact O-N 3.29Å; L265-F297 HydrophobicContact CB-CE2 4.2Å; L265-Y309 HydrophobicContact CB-CE2 4.12Å; L265-Y309 HydrophobicContact CD1-CE2 4.06Å; L265-Y309 HydrophobicContact CD2-CE2 3.95Å; L265-Y309 HydrophobicContact CG-CE2 4.25Å; L265-L312 HydrophobicContact CD2-CD2 4.43Å; L265-I313 HydrophobicContact CD2-CG2 4.42Å; L265-V560 HydrophobicContact CD1-CG1 4.27Å; L265-V560 HydrophobicContact CD1-CG2 3.86Å; L265-V560 HydrophobicContact CD2-CG1 4.08Å |
| 266 | F | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 80.6 | 168.9 | -57.9 | -74 | 0 | 0 | 0 | 109.9 | L201 P249 Y251 V264 N268 I274 L283 I285 F292 N293 M294 | L201-F266 HydrophobicContact CD1-CE1 3.82Å; L201-F266 HydrophobicContact CD1-CZ 3.97Å; P249-F266 HydrophobicContact CB-CB 4.27Å; P249-F266 WeakPolarHBondContact CG-O 3.4Å; P249-F266 PolarHBondContact O-N 2.87Å; Y251-F266 AromaticContact CD1-CE2 3.74Å; Y251-F266 HydrophobicContact CD1-CE2 3.74Å; Y251-F266 HydrophobicContact CD1-CZ 4.28Å; Y251-F266 AromaticContact CE1-CE2 3.76Å; Y251-F266 HydrophobicContact CE1-CE2 3.76Å; Y251-F266 AromaticContact CE1-CZ 3.81Å; Y251-F266 HydrophobicContact CE1-CZ 3.81Å; V264-F266 HydrophobicContact CG1-CD1 4.21Å; V264-F266 HydrophobicContact CG1-CE1 3.87Å; V264-F266 HydrophobicContact CG1-CE2 4.32Å; V264-F266 HydrophobicContact CG1-CZ 3.93Å; F266-N268 PolarHBondContact O-N 2.88Å; F266-I274 HydrophobicContact CD2-CD1 4.14Å; F266-L283 HydrophobicContact CE1-CD2 4.39Å; F266-L283 HydrophobicContact CE2-CD1 3.73Å; F266-L283 HydrophobicContact CE2-CD2 3.85Å; F266-L283 HydrophobicContact CE2-CG 4.49Å; F266-L283 HydrophobicContact CZ-CD1 3.99Å; F266-L283 HydrophobicContact CZ-CD2 3.6Å; F266-L283 HydrophobicContact CZ-CG 4.47Å; F266-I285 HydrophobicContact CB-CD1 3.46Å; F266-I285 VanDerWaalsContact CB-CD1 3.46Å; F266-I285 HydrophobicContact CD1-CD1 4.09Å; F266-I285 HydrophobicContact CD2-CD1 4.25Å; F266-I285 HydrophobicContact CG-CD1 3.7Å; F266-F292 HydrophobicContact CB-CE2 4.18Å; F266-F292 AromaticContact CD1-CE2 3.84Å; F266-F292 HydrophobicContact CD1-CE2 3.84Å; F266-F292 AromaticContact CD1-CZ 3.74Å; F266-F292 HydrophobicContact CD1-CZ 3.74Å; F266-F292 HydrophobicContact CE1-CZ 4.33Å; F266-F292 HydrophobicContact CG-CE2 4.48Å; F266-N293 CarbonylContact C-O 3.53Å; F266-M294 HydrophobicContact CD1-CG 3.7Å; F266-M294 HydrophobicContact CD1-SD 3.94Å; F266-M294 HydrophobicContact CE1-CG 4.05Å; F266-M294 HydrophobicContact CE1-SD 3.71Å |
| 267 | F | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 117.4 | -173.7 | -177.8 | -88.5 | 0 | 0 | 0 | 112 | G131 I132 L137 M140 L265 T269 N293 F295 F559 V560 | G131-F267 WeakPolarHBondContact O-CE1 3.22Å; I132-F267 HydrophobicContact CG1-CD1 4.14Å; I132-F267 HydrophobicContact CG1-CE1 3.86Å; L137-F267 HydrophobicContact CD1-CE1 4.26Å; L137-F267 HydrophobicContact CD1-CE2 3.45Å; L137-F267 VanDerWaalsContact CD1-CE2 3.45Å; L137-F267 HydrophobicContact CD1-CZ 3.13Å; M140-F267 HydrophobicContact CE-CD2 3.98Å; M140-F267 HydrophobicContact CE-CE2 4.08Å; M140-F267 HydrophobicContact SD-CD2 4.17Å; M140-F267 HydrophobicContact SD-CE2 4.1Å; M140-F267 HydrophobicContact SD-CZ 4.47Å; L265-F267 HydrophobicContact CD2-CB 3.85Å; L265-F267 HydrophobicContact CD2-CD2 4.17Å; L265-F267 HydrophobicContact CD2-CG 4.44Å; L265-F267 HydrophobicContact CG-CB 4.01Å; L265-F267 PolarHBondContact O-N 3.39Å; F267-T269 HydrophobicContact CZ-CG2 4.37Å; F267-N293 HydrophobicContact CB-CB 4.07Å; F267-N293 HydrophobicContact CD1-CB 4.25Å; F267-N293 PolarHBondContact N-O 2.87Å; F267-N293 PolarHBondContact O-N 3.17Å; F267-F295 HydrophobicContact CB-CD2 4.01Å; F267-F295 HydrophobicContact CB-CE2 3.73Å; F267-F295 HydrophobicContact CG-CE2 4.22Å; F267-F559 AromaticContact CE2-CE1 3.71Å; F267-F559 HydrophobicContact CE2-CE1 3.71Å; F267-F559 HydrophobicContact CE2-CZ 4.16Å; F267-F559 HydrophobicContact CZ-CE1 4.22Å; F267-V560 HydrophobicContact CD2-CG1 4.39Å |
| 268 | N | 96.1 | Very high | 97 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.027 | 7% | 0.066 | C | C | . | . | trans | -158.9 | 144.3 | 169.7 | -163.5 | -47.2 | 0 | 0 | 0 | 109.2 | F266 H270 L287 G289 A291 | F266-N268 PolarHBondContact O-N 2.88Å; N268-H270 VanDerWaalsContact OD1-CB 3.31Å; N268-H270 WeakPolarHBondContact OD1-CB 3.43Å; N268-H270 PolarHBondContact OD1-N 2.88Å; N268-H270 PolarHBondContact OD1-ND1 2.87Å; N268-H270 VanDerWaalsContact OD1-ND1 3.09Å; N268-L287 HydrophobicContact CB-CD2 3.82Å; N268-G289 PolarHBondContact ND2-O 3.05Å; N268-G289 PolarHBondContact OD1-O 2.6Å; N268-A291 PolarHBondContact ND2-O 3.1Å | ||
| 269 | T | 96 | Very high | 96.4 | Very high | 18 Ų | 18 | 9.1 Ų | 9.1 | 11% | 0.11 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -86.5 | -13 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | F267 S525 N528 V529 F559 | F267-T269 HydrophobicContact CZ-CG2 4.37Å; T269-S525 WeakPolarHBondContact CB-O 3.4Å; T269-S525 PolarHBondContact OG1-O 2.76Å; T269-N528 WeakPolarHBondContact O-CB 3.43Å; T269-N528 PolarHBondContact O-ND2 2.78Å; T269-V529 HydrophobicContact CG2-CG1 3.73Å; T269-F559 HydrophobicContact CG2-CZ 4.4Å |
| 270 | H | 97 | Very high | 95.9 | Very high | 23 Ų | 23 | 12.6 Ų | 12.6 | 11% | 0.106 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -78.4 | 162.8 | -179.6 | -67 | 58 | 0 | 0 | 0 | 111.4 | N268 Y524 N528 | N268-H270 VanDerWaalsContact OD1-CB 3.31Å; N268-H270 WeakPolarHBondContact OD1-CB 3.43Å; N268-H270 PolarHBondContact OD1-N 2.88Å; N268-H270 PolarHBondContact OD1-ND1 2.87Å; N268-H270 VanDerWaalsContact OD1-ND1 3.09Å; H270-Y524 AromaticContact CD2-CD1 3.77Å; H270-Y524 AromaticContact CD2-CE1 3.56Å; H270-Y524 AromaticContact NE2-CD1 4Å; H270-N528 PolarHBondContact O-ND2 3.18Å |
| 271 | A | 97.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | trans | -61.8 | 143.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | F230 M231 T288 P501 F507 | F230-A271 WeakPolarHBondContact O-CA 3.29Å; M231-A271 HydrophobicContact CB-CB 4.36Å; M231-A271 HydrophobicContact CG-CB 4.33Å; M231-A271 HydrophobicContact SD-CB 3.9Å; A271-T288 HydrophobicContact CB-CG2 4.22Å; A271-T288 PolarHBondContact N-OG1 3.23Å; A271-T288 WeakPolarHBondContact O-CG2 3.42Å; A271-T288 PolarHBondContact O-N 3.27Å; A271-T288 PolarHBondContact O-OG1 3.44Å; A271-P501 HydrophobicContact CB-CG 3.86Å; A271-F507 HydrophobicContact CB-CE2 3.83Å; A271-F507 HydrophobicContact CB-CZ 3.71Å | ||
| 272 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 167.1 | -179.2 | 66.2 | 90.2 | 0 | 0 | 0 | 112.4 | F230 P249 I274 I285 R286 L287 P501 | F230-L272 HydrophobicContact CB-CD1 3.47Å; F230-L272 VanDerWaalsContact CB-CD1 3.47Å; F230-L272 HydrophobicContact CB-CD2 4.42Å; F230-L272 HydrophobicContact CB-CG 3.54Å; F230-L272 HydrophobicContact CD1-CD1 4.21Å; F230-L272 HydrophobicContact CD2-CD1 3.31Å; F230-L272 HydrophobicContact CD2-CG 4.33Å; F230-L272 HydrophobicContact CE2-CD1 4Å; F230-L272 HydrophobicContact CG-CD1 3.42Å; F230-L272 VanDerWaalsContact CG-CD1 3.42Å; F230-L272 HydrophobicContact CG-CG 4.06Å; F230-L272 PolarHBondContact N-O 2.88Å; F230-L272 PolarHBondContact O-N 3.13Å; F230-L272 VanDerWaalsContact O-N 3.13Å; P249-L272 HydrophobicContact CB-CD1 4.43Å; P249-L272 HydrophobicContact CB-CD2 4.28Å; P249-L272 HydrophobicContact CG-CD2 4.39Å; L272-I274 HydrophobicContact CD1-CD1 4.25Å; L272-I274 HydrophobicContact CD1-CG1 3.97Å; L272-I285 HydrophobicContact CD1-CD1 4.25Å; L272-I285 HydrophobicContact CD1-CG1 4.38Å; L272-I285 HydrophobicContact CD2-CD1 4.45Å; L272-R286 CarbonylContact C-O 3.5Å; L272-R286 WeakPolarHBondContact CA-O 3.34Å; L272-R286 WeakPolarHBondContact CB-O 3.43Å; L272-L287 HydrophobicContact CB-CD2 3.46Å; L272-L287 VanDerWaalsContact CB-CD2 3.46Å; L272-L287 HydrophobicContact CB-CG 4.36Å; L272-L287 HydrophobicContact CD2-CD2 3.45Å; L272-L287 VanDerWaalsContact CD2-CD2 3.45Å; L272-L287 HydrophobicContact CG-CD2 4.01Å; L272-P501 VanDerWaalsContact C-CB 3.5Å |
| 273 | D | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.9 | 163.5 | 64.5 | 100.9 | 0 | 0 | 0 | 111.8 | K227 W228 I285 R286 Y499 P501 | K227-D273 HydrophobicContact CD-CB 3.98Å; K227-D273 HydrophobicContact CG-CB 3.62Å; K227-D273 WeakPolarHBondContact CG-OD1 3.36Å; W228-D273 CarbonylContact O-C 3.5Å; W228-D273 WeakPolarHBondContact O-CA 3.46Å; W228-D273 WeakPolarHBondContact O-CB 2.94Å; D273-I285 WeakPolarHBondContact O-CA 3.29Å; D273-R286 PolarHBondContact N-O 3.34Å; D273-R286 PolarHBondContact O-N 2.93Å; D273-R286 IonicContact OD1-CZ 3.27Å; D273-R286 IonicContact OD1-NH1 2.7Å; D273-R286 PolarHBondContact OD1-NH1 2.9Å; D273-R286 WeakPolarHBondContact OD2-CB 3.5Å; D273-Y499 VanDerWaalsContact CG-OH 3.23Å; D273-Y499 PolarHBondContact OD1-OH 3.12Å; D273-Y499 VanDerWaalsContact OD2-CE1 3.26Å; D273-Y499 WeakPolarHBondContact OD2-CE1 3.44Å; D273-Y499 VanDerWaalsContact OD2-CZ 3.24Å; D273-Y499 PolarHBondContact OD2-OH 3.32Å; D273-P501 HydrophobicContact CB-CB 3.87Å; D273-P501 VanDerWaalsContact OD2-CB 3.27Å; D273-P501 WeakPolarHBondContact OD2-CB 3.33Å |
| 274 | I | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134 | 172.8 | -63 | 178 | 0 | 0 | 0 | 109.2 | L211 W228 F230 F266 L272 L276 L283 T284 I285 | L211-I274 HydrophobicContact CD1-CG2 4.44Å; L211-I274 HydrophobicContact CD2-CD1 3.83Å; W228-I274 PolarHBondContact N-O 2.98Å; W228-I274 PolarHBondContact O-N 3.06Å; F230-I274 HydrophobicContact CD2-CG1 4.42Å; F230-I274 HydrophobicContact CE2-CB 3.96Å; F230-I274 HydrophobicContact CE2-CD1 3.74Å; F230-I274 HydrophobicContact CE2-CG1 3.8Å; F230-I274 HydrophobicContact CZ-CD1 3.79Å; F230-I274 HydrophobicContact CZ-CG1 4.36Å; F266-I274 HydrophobicContact CD2-CD1 4.14Å; L272-I274 HydrophobicContact CD1-CD1 4.25Å; L272-I274 HydrophobicContact CD1-CG1 3.97Å; I274-L276 HydrophobicContact CG2-CD2 4.34Å; I274-L283 HydrophobicContact CG2-CD1 3.98Å; I274-L283 HydrophobicContact CG2-CD2 4.09Å; I274-L283 HydrophobicContact CG2-CG 3.71Å; I274-T284 WeakPolarHBondContact CA-O 3.41Å; I274-I285 HydrophobicContact CD1-CD1 4.32Å; I274-I285 HydrophobicContact CG1-CB 4.21Å; I274-I285 HydrophobicContact CG1-CD1 4.29Å; I274-I285 HydrophobicContact CG1-CG1 4.01Å |
| 275 | T | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 12.6 Ų | 12.6 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.8 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | W225 T284 R286 | W225-T275 HydrophobicContact CE3-CG2 4.19Å; W225-T275 VanDerWaalsContact O-CG2 3.23Å; W225-T275 WeakPolarHBondContact O-CG2 2.99Å; T275-T284 PolarHBondContact N-O 3.23Å; T275-T284 PolarHBondContact O-N 2.91Å; T275-R286 PolarHBondContact OG1-NH1 3.33Å |
| 276 | L | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.5 | 175.1 | -60.9 | -177.7 | 0 | 0 | 0 | 110.4 | L211 R221 F223 E224 W225 I274 I282 L283 | L211-L276 HydrophobicContact CD1-CD1 4.17Å; L211-L276 HydrophobicContact CD1-CD2 4.27Å; R221-L276 HydrophobicContact CB-CD1 3.7Å; F223-L276 CarbonylContact C-O 3.59Å; F223-L276 HydrophobicContact CB-CB 4.42Å; F223-L276 HydrophobicContact CD1-CB 3.74Å; F223-L276 HydrophobicContact CE1-CB 4.19Å; F223-L276 HydrophobicContact CE1-CD2 4.23Å; F223-L276 HydrophobicContact CE2-CD1 4.41Å; F223-L276 HydrophobicContact CG-CB 4.01Å; F223-L276 HydrophobicContact CZ-CD2 4.5Å; E224-L276 PolarHBondContact N-O 3.31Å; W225-L276 WeakPolarHBondContact CA-O 3.38Å; W225-L276 PolarHBondContact N-O 3.27Å; I274-L276 HydrophobicContact CG2-CD2 4.34Å; L276-I282 WeakPolarHBondContact CA-O 3.23Å; L276-L283 HydrophobicContact CD2-CB 3.89Å; L276-L283 HydrophobicContact CD2-CD1 3.94Å; L276-L283 HydrophobicContact CD2-CG 3.89Å |
| 277 | Q | 93.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.047 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.8 | -174.3 | 155.3 | 178.6 | -8.8 | 0 | 0 | 112.3 | R23 F223 W225 I282 | R23-Q277 PolarHBondContact O-OE1 3.04Å; F223-Q277 WeakPolarHBondContact CD1-O 3.48Å; W225-Q277 HydrophobicContact CD2-CB 4.37Å; W225-Q277 HydrophobicContact CE3-CB 3.93Å; W225-Q277 HydrophobicContact CE3-CG 4.41Å; W225-Q277 HydrophobicContact CH2-CB 3.58Å; W225-Q277 HydrophobicContact CH2-CG 3.19Å; W225-Q277 HydrophobicContact CZ2-CB 4.05Å; W225-Q277 HydrophobicContact CZ2-CG 3.46Å; W225-Q277 VanDerWaalsContact CZ2-CG 3.46Å; W225-Q277 HydrophobicContact CZ3-CB 3.52Å; W225-Q277 HydrophobicContact CZ3-CG 3.73Å; Q277-I282 HydrophobicContact CB-CB 4.08Å; Q277-I282 HydrophobicContact CG-CB 4.26Å; Q277-I282 PolarHBondContact N-O 2.82Å; Q277-I282 PolarHBondContact O-N 3.2Å |
| 278 | P | 89.9 | Confident | 95.5 | Very high | 32 Ų | 32 | 13 Ų | 13 | 21% | 0.208 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 177.8 | 172 | 27.5 | -29.9 | 0 | 0 | 0 | 113.9 | E49 F223 W225 E280 | E49-P278 WeakPolarHBondContact OE1-CG 3.41Å; F223-P278 HydrophobicContact CB-CB 4.45Å; F223-P278 WeakPolarHBondContact O-CB 3.38Å; F223-P278 VanDerWaalsContact O-CD 3.27Å; F223-P278 WeakPolarHBondContact O-CD 3.29Å; F223-P278 WeakPolarHBondContact O-CG 3.48Å; W225-P278 VanDerWaalsContact NE1-CD 3.31Å; P278-E280 PolarHBondContact O-N 2.82Å |
| 279 | G | 83.6 | Confident | 95.4 | Very high | 54 Ų | 54 | 12.9 Ų | 12.9 | 56% | 0.557 | 8% | 0.083 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -103.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 280 | E | 87.7 | Confident | 95.4 | Very high | 76 Ų | 76 | 12.8 Ų | 12.8 | 36% | 0.355 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 120.2 | 160.1 | -68.5 | -170.8 | 160.4 | 0 | 0 | 108.5 | K202 P278 I282 | K202-E280 WeakPolarHBondContact CD-OE2 3.11Å; K202-E280 WeakPolarHBondContact CE-OE2 3.3Å; K202-E280 IonicContact NZ-OE1 3.76Å; K202-E280 PolarHBondContact NZ-OE1 2.68Å; K202-E280 IonicContact NZ-OE2 3.93Å; K202-E280 PolarHBondContact NZ-OE2 2.73Å; P278-E280 PolarHBondContact O-N 2.82Å; E280-I282 HydrophobicContact CB-CD1 4.28Å; E280-I282 HydrophobicContact CB-CG1 4.46Å; E280-I282 WeakPolarHBondContact O-CG1 3.49Å; E280-I282 PolarHBondContact O-N 2.03Å |
| 281 | P | 95.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 11.8 Ų | 11.8 | 14% | 0.143 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 102.3 | -177.5 | 25.8 | -34.3 | 0 | 0 | 0 | 110 | K202 L203 T206 F223 | K202-P281 CarbonylContact C-O 3.56Å; K202-P281 WeakPolarHBondContact CA-O 3.44Å; L203-P281 HydrophobicContact CB-CB 4.41Å; L203-P281 PolarHBondContact N-O 2.73Å; L203-P281 VanDerWaalsContact O-CG 3.31Å; L203-P281 WeakPolarHBondContact O-CG 3.18Å; T206-P281 HydrophobicContact CG2-CB 3.85Å; T206-P281 HydrophobicContact CG2-CG 4.43Å; F223-P281 HydrophobicContact CD1-CB 4.05Å; F223-P281 HydrophobicContact CE1-CB 3.46Å; F223-P281 VanDerWaalsContact CE1-CB 3.46Å; F223-P281 HydrophobicContact CZ-CB 3.85Å |
| 282 | I | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131 | -179.1 | -70.8 | 164.2 | 0 | 0 | 0 | 109.2 | I22 I24 L187 L201 K202 L276 Q277 E280 | I22-I282 HydrophobicContact CG2-CD1 4.11Å; I24-I282 HydrophobicContact CD1-CD1 4.46Å; I24-I282 HydrophobicContact CD1-CG2 3.93Å; L187-I282 HydrophobicContact CD2-CD1 3.87Å; L201-I282 CarbonylContact O-C 3.56Å; L201-I282 VanDerWaalsContact O-CA 3.3Å; L201-I282 WeakPolarHBondContact O-CA 3.1Å; K202-I282 HydrophobicContact CB-CG1 4.41Å; K202-I282 HydrophobicContact CG-CD1 4.2Å; K202-I282 HydrophobicContact CG-CG1 3.76Å; L276-I282 WeakPolarHBondContact CA-O 3.23Å; Q277-I282 HydrophobicContact CB-CB 4.08Å; Q277-I282 HydrophobicContact CG-CB 4.26Å; Q277-I282 PolarHBondContact N-O 2.82Å; Q277-I282 PolarHBondContact O-N 3.2Å; E280-I282 HydrophobicContact CB-CD1 4.28Å; E280-I282 HydrophobicContact CB-CG1 4.46Å; E280-I282 WeakPolarHBondContact O-CG1 3.49Å; E280-I282 PolarHBondContact O-N 2.03Å |
| 283 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.8 | 167 | -178.5 | 156.8 | 0 | 0 | 0 | 108.3 | S200 L201 L203 L211 Y251 F266 I274 L276 I285 | S200-L283 CarbonylContact C-O 3.58Å; S200-L283 VanDerWaalsContact CA-O 3.25Å; S200-L283 WeakPolarHBondContact CA-O 3.24Å; L201-L283 PolarHBondContact N-O 3.48Å; L201-L283 PolarHBondContact O-N 3.45Å; L203-L283 HydrophobicContact CD1-CB 4.07Å; L211-L283 HydrophobicContact CD1-CD1 4.38Å; Y251-L283 HydrophobicContact CD1-CD1 3.91Å; Y251-L283 HydrophobicContact CE1-CD1 3.98Å; F266-L283 HydrophobicContact CE1-CD2 4.39Å; F266-L283 HydrophobicContact CE2-CD1 3.73Å; F266-L283 HydrophobicContact CE2-CD2 3.85Å; F266-L283 HydrophobicContact CE2-CG 4.49Å; F266-L283 HydrophobicContact CZ-CD1 3.99Å; F266-L283 HydrophobicContact CZ-CD2 3.6Å; F266-L283 HydrophobicContact CZ-CG 4.47Å; I274-L283 HydrophobicContact CG2-CD1 3.98Å; I274-L283 HydrophobicContact CG2-CD2 4.09Å; I274-L283 HydrophobicContact CG2-CG 3.71Å; L276-L283 HydrophobicContact CD2-CB 3.89Å; L276-L283 HydrophobicContact CD2-CD1 3.94Å; L276-L283 HydrophobicContact CD2-CG 3.89Å; L283-I285 HydrophobicContact CD2-CB 4.21Å |
| 284 | T | 98.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.1 | 169.4 | -62.2 | 0 | 0 | 0 | 0 | 109 | Q198 F199 S200 I274 T275 R286 | Q198-T284 HydrophobicContact CG-CG2 3.88Å; F199-T284 WeakPolarHBondContact O-CA 3.35Å; S200-T284 WeakPolarHBondContact OG-CG2 3.45Å; S200-T284 PolarHBondContact OG-OG1 3.07Å; I274-T284 WeakPolarHBondContact CA-O 3.41Å; T275-T284 PolarHBondContact N-O 3.23Å; T275-T284 PolarHBondContact O-N 2.91Å; T284-R286 HydrophobicContact CG2-CG 4.33Å |
| 285 | I | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.4 | 173.6 | -175.8 | 168.6 | 0 | 0 | 0 | 109.7 | Q198 F199 F266 L272 D273 I274 L283 L287 F292 | Q198-I285 WeakPolarHBondContact CA-O 3.48Å; F199-I285 HydrophobicContact CB-CG2 4Å; F199-I285 PolarHBondContact N-O 2.9Å; F199-I285 WeakPolarHBondContact O-CG2 3.27Å; F199-I285 PolarHBondContact O-N 3.24Å; F266-I285 HydrophobicContact CB-CD1 3.46Å; F266-I285 VanDerWaalsContact CB-CD1 3.46Å; F266-I285 HydrophobicContact CD1-CD1 4.09Å; F266-I285 HydrophobicContact CD2-CD1 4.25Å; F266-I285 HydrophobicContact CG-CD1 3.7Å; L272-I285 HydrophobicContact CD1-CD1 4.25Å; L272-I285 HydrophobicContact CD1-CG1 4.38Å; L272-I285 HydrophobicContact CD2-CD1 4.45Å; D273-I285 WeakPolarHBondContact O-CA 3.29Å; I274-I285 HydrophobicContact CD1-CD1 4.32Å; I274-I285 HydrophobicContact CG1-CB 4.21Å; I274-I285 HydrophobicContact CG1-CD1 4.29Å; I274-I285 HydrophobicContact CG1-CG1 4.01Å; L283-I285 HydrophobicContact CD2-CB 4.21Å; I285-L287 HydrophobicContact CD1-CD2 3.97Å; I285-L287 HydrophobicContact CD1-CG 4.49Å; I285-L287 HydrophobicContact CG1-CD2 4.21Å; I285-L287 HydrophobicContact CG1-CG 4.35Å; I285-F292 HydrophobicContact CD1-CE2 4.18Å; I285-F292 HydrophobicContact CG2-CE2 4.37Å; I285-F292 HydrophobicContact CG2-CZ 3.99Å |
| 286 | R | 97.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 11.2 Ų | 11.2 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.4 | 174.7 | -57.5 | 170.6 | -168.1 | 113.5 | -5.9 | 110.4 | D25 P28 F196 H197 Q198 L272 D273 T275 T284 Y499 | D25-R286 IonicContact OD2-NH2 3.38Å; P28-R286 VanDerWaalsContact CB-NE 3.25Å; F196-R286 HydrophobicContact CE2-CB 4.23Å; F196-R286 HydrophobicContact CE2-CG 4.34Å; F196-R286 HydrophobicContact CZ-CG 4.42Å; H197-R286 CarbonylContact O-C 3.57Å; H197-R286 WeakPolarHBondContact O-CA 3.29Å; Q198-R286 HydrophobicContact CB-CG 4.25Å; Q198-R286 HydrophobicContact CG-CG 4.03Å; L272-R286 CarbonylContact C-O 3.5Å; L272-R286 WeakPolarHBondContact CA-O 3.34Å; L272-R286 WeakPolarHBondContact CB-O 3.43Å; D273-R286 PolarHBondContact N-O 3.34Å; D273-R286 PolarHBondContact O-N 2.93Å; D273-R286 IonicContact OD1-CZ 3.27Å; D273-R286 IonicContact OD1-NH1 2.7Å; D273-R286 PolarHBondContact OD1-NH1 2.9Å; D273-R286 WeakPolarHBondContact OD2-CB 3.5Å; T275-R286 PolarHBondContact OG1-NH1 3.33Å; T284-R286 HydrophobicContact CG2-CG 4.33Å; R286-Y499 HydrophobicContact CB-CE1 3.77Å; R286-Y499 VanDerWaalsContact CD-OH 3.29Å; R286-Y499 WeakPolarHBondContact CD-OH 3.4Å |
| 287 | L | 97 | Very high | 95.4 | Very high | 3 Ų | 3 | 11.2 Ų | 11.2 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151 | -174.5 | -53 | 155.6 | 0 | 0 | 0 | 109.4 | F196 H197 N268 L272 I285 G289 F292 | F196-L287 CarbonylContact C-O 3.43Å; F196-L287 WeakPolarHBondContact CA-O 3.45Å; H197-L287 HydrophobicContact CB-CB 3.97Å; H197-L287 HydrophobicContact CB-CD1 3.96Å; H197-L287 HydrophobicContact CB-CG 4.34Å; H197-L287 PolarHBondContact N-O 3.17Å; H197-L287 PolarHBondContact O-N 3.5Å; N268-L287 HydrophobicContact CB-CD2 3.82Å; L272-L287 HydrophobicContact CB-CD2 3.46Å; L272-L287 VanDerWaalsContact CB-CD2 3.46Å; L272-L287 HydrophobicContact CB-CG 4.36Å; L272-L287 HydrophobicContact CD2-CD2 3.45Å; L272-L287 VanDerWaalsContact CD2-CD2 3.45Å; L272-L287 HydrophobicContact CG-CD2 4.01Å; I285-L287 HydrophobicContact CD1-CD2 3.97Å; I285-L287 HydrophobicContact CD1-CG 4.49Å; I285-L287 HydrophobicContact CG1-CD2 4.21Å; I285-L287 HydrophobicContact CG1-CG 4.35Å; L287-G289 VanDerWaalsContact C-N 3.34Å; L287-F292 HydrophobicContact CD1-CB 4.01Å; L287-F292 HydrophobicContact CD1-CD2 3.5Å; L287-F292 VanDerWaalsContact CD1-CD2 3.5Å; L287-F292 HydrophobicContact CD1-CE2 4.14Å; L287-F292 HydrophobicContact CD1-CG 3.9Å |
| 288 | T | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -88.8 | 6.8 | 174.9 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | Q195 A271 Y499 P501 F507 Y524 | Q195-T288 CarbonylContact C-O 3.58Å; Q195-T288 WeakPolarHBondContact CA-O 3.31Å; A271-T288 HydrophobicContact CB-CG2 4.22Å; A271-T288 PolarHBondContact N-OG1 3.23Å; A271-T288 WeakPolarHBondContact O-CG2 3.42Å; A271-T288 PolarHBondContact O-N 3.27Å; A271-T288 PolarHBondContact O-OG1 3.44Å; T288-Y499 HydrophobicContact CG2-CD1 4.29Å; T288-P501 HydrophobicContact CG2-CG 3.94Å; T288-F507 HydrophobicContact CG2-CZ 4.48Å; T288-Y524 VanDerWaalsContact CB-OH 3.29Å; T288-Y524 WeakPolarHBondContact CB-OH 3.15Å; T288-Y524 PolarHBondContact O-OH 3.39Å |
| 289 | G | 95.7 | Very high | 96 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 152.8 | -167.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H197 N268 L287 | H197-G289 PolarHBondContact CE1-O 3.16Å; H197-G289 VanDerWaalsContact CE1-O 3.29Å; H197-G289 PolarHBondContact ND1-O 2Å; N268-G289 PolarHBondContact ND2-O 3.05Å; N268-G289 PolarHBondContact OD1-O 2.6Å; L287-G289 VanDerWaalsContact C-N 3.34Å |
| 290 | G | 94.1 | Very high | 96.6 | Very high | 16 Ų | 16 | 9 Ų | 9 | 17% | 0.165 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 75.7 | 164.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | H197 F292 | H197-G290 PolarHBondContact CE1-O 2.79Å; G290-F292 PolarHBondContact O-N 2.72Å |
| 291 | A | 92.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 3% | 0.025 | 5% | 0.051 | C | C | . | . | trans | -61.5 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M127 H130 N268 N293 | M127-A291 HydrophobicContact SD-CB 3.72Å; H130-A291 VanDerWaalsContact O-CB 3.29Å; H130-A291 WeakPolarHBondContact O-CB 3.49Å; N268-A291 PolarHBondContact ND2-O 3.1Å; A291-N293 PolarHBondContact O-ND2 3.05Å | ||
| 292 | F | 95.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 1% | 0.013 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 115 | 178 | 177 | -134 | 0 | 0 | 0 | 110.2 | S121 F122 M192 F199 F266 I285 L287 G290 M294 | S121-F292 CarbonylContact C-O 3.44Å; S121-F292 VanDerWaalsContact CA-O 3.26Å; S121-F292 WeakPolarHBondContact CA-O 3.39Å; F122-F292 HydrophobicContact CB-CB 4.44Å; F122-F292 AromaticContact CD2-CD1 3.7Å; F122-F292 HydrophobicContact CD2-CD1 3.7Å; F122-F292 HydrophobicContact CD2-CE1 4.26Å; F122-F292 HydrophobicContact CE2-CD1 4.39Å; F122-F292 PolarHBondContact N-O 3.12Å; F122-F292 PolarHBondContact O-N 2.86Å; M192-F292 HydrophobicContact CE-CB 4.26Å; F199-F292 HydrophobicContact CB-CE1 4.11Å; F199-F292 AromaticContact CD1-CE1 3.55Å; F199-F292 HydrophobicContact CD1-CE1 3.55Å; F199-F292 AromaticContact CD1-CZ 3.95Å; F199-F292 HydrophobicContact CD1-CZ 3.95Å; F199-F292 HydrophobicContact CE1-CE1 4.24Å; F199-F292 HydrophobicContact CG-CE1 4.01Å; F266-F292 HydrophobicContact CB-CE2 4.18Å; F266-F292 AromaticContact CD1-CE2 3.84Å; F266-F292 HydrophobicContact CD1-CE2 3.84Å; F266-F292 AromaticContact CD1-CZ 3.74Å; F266-F292 HydrophobicContact CD1-CZ 3.74Å; F266-F292 HydrophobicContact CE1-CZ 4.33Å; F266-F292 HydrophobicContact CG-CE2 4.48Å; I285-F292 HydrophobicContact CD1-CE2 4.18Å; I285-F292 HydrophobicContact CG2-CE2 4.37Å; I285-F292 HydrophobicContact CG2-CZ 3.99Å; L287-F292 HydrophobicContact CD1-CB 4.01Å; L287-F292 HydrophobicContact CD1-CD2 3.5Å; L287-F292 VanDerWaalsContact CD1-CD2 3.5Å; L287-F292 HydrophobicContact CD1-CE2 4.14Å; L287-F292 HydrophobicContact CD1-CG 3.9Å; G290-F292 PolarHBondContact O-N 2.72Å; F292-M294 HydrophobicContact CE1-CE 3.92Å; F292-M294 HydrophobicContact CE1-CG 3.78Å; F292-M294 HydrophobicContact CE1-SD 3.64Å; F292-M294 HydrophobicContact CE2-CG 3.84Å; F292-M294 HydrophobicContact CE2-SD 4.48Å; F292-M294 HydrophobicContact CZ-CE 4.33Å; F292-M294 HydrophobicContact CZ-CG 3.35Å; F292-M294 HydrophobicContact CZ-SD 3.46Å; F292-M294 WeakPolarHBondContact CZ-SD 3.48Å |
| 293 | N | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.2 | 179.3 | -68.8 | -85.4 | 0 | 0 | 0 | 110.5 | Q119 S121 H130 F266 F267 A291 F295 | Q119-N293 PolarHBondContact NE2-OD1 3.19Å; S121-N293 WeakPolarHBondContact CB-OD1 3.2Å; H130-N293 PolarHBondContact O-ND2 3.33Å; F266-N293 CarbonylContact C-O 3.53Å; F267-N293 HydrophobicContact CB-CB 4.07Å; F267-N293 HydrophobicContact CD1-CB 4.25Å; F267-N293 PolarHBondContact N-O 2.87Å; F267-N293 PolarHBondContact O-N 3.17Å; A291-N293 PolarHBondContact O-ND2 3.05Å; N293-F295 HydrophobicContact CB-CE2 3.89Å; N293-F295 HydrophobicContact CB-CZ 4.43Å |
| 294 | M | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.6 | 170.4 | -69.8 | -174.8 | -60.2 | 0 | 0 | 109.8 | Q119 I120 F122 M170 F199 L201 L265 F266 F292 | Q119-M294 CarbonylContact C-O 3.53Å; Q119-M294 WeakPolarHBondContact CA-O 3.23Å; I120-M294 HydrophobicContact CB-CB 4.49Å; I120-M294 HydrophobicContact CB-CE 4.15Å; I120-M294 HydrophobicContact CG2-CE 4.17Å; I120-M294 PolarHBondContact N-O 3.3Å; I120-M294 PolarHBondContact O-N 2.82Å; F122-M294 HydrophobicContact CE2-CE 3.77Å; M170-M294 HydrophobicContact CE-CE 3.25Å; F199-M294 HydrophobicContact CD1-CE 4.28Å; F199-M294 HydrophobicContact CD1-SD 3.96Å; F199-M294 HydrophobicContact CE1-CE 3.6Å; F199-M294 HydrophobicContact CE1-SD 3.62Å; F199-M294 HydrophobicContact CZ-CE 4.27Å; L201-M294 HydrophobicContact CD1-SD 4.17Å; L265-M294 WeakPolarHBondContact O-CA 3.33Å; F266-M294 HydrophobicContact CD1-CG 3.7Å; F266-M294 HydrophobicContact CD1-SD 3.94Å; F266-M294 HydrophobicContact CE1-CG 4.05Å; F266-M294 HydrophobicContact CE1-SD 3.71Å; F292-M294 HydrophobicContact CE1-CE 3.92Å; F292-M294 HydrophobicContact CE1-CG 3.78Å; F292-M294 HydrophobicContact CE1-SD 3.64Å; F292-M294 HydrophobicContact CE2-CG 3.84Å; F292-M294 HydrophobicContact CE2-SD 4.48Å; F292-M294 HydrophobicContact CZ-CE 4.33Å; F292-M294 HydrophobicContact CZ-CG 3.35Å; F292-M294 HydrophobicContact CZ-SD 3.46Å; F292-M294 WeakPolarHBondContact CZ-SD 3.48Å |
| 295 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.8 | 170.3 | -59.7 | -88 | 0 | 0 | 0 | 108.7 | L113 M118 Q119 I132 L144 V264 L265 F267 N293 F297 L312 | L113-F295 HydrophobicContact CD1-CD1 3.69Å; L113-F295 HydrophobicContact CD1-CE1 4.03Å; M118-F295 WeakPolarHBondContact O-CA 3.37Å; Q119-F295 HydrophobicContact CB-CD1 3.79Å; Q119-F295 HydrophobicContact CB-CE1 3.69Å; Q119-F295 VanDerWaalsContact CD-CE1 3.47Å; Q119-F295 HydrophobicContact CG-CD1 3.92Å; Q119-F295 HydrophobicContact CG-CE1 3.47Å; Q119-F295 VanDerWaalsContact CG-CE1 3.47Å; Q119-F295 HydrophobicContact CG-CZ 3.93Å; I132-F295 HydrophobicContact CD1-CE2 4.45Å; I132-F295 HydrophobicContact CD1-CZ 3.79Å; L144-F295 HydrophobicContact CD1-CZ 4.47Å; L144-F295 HydrophobicContact CD2-CE1 3.81Å; L144-F295 HydrophobicContact CD2-CZ 4.48Å; V264-F295 CarbonylContact C-O 3.54Å; V264-F295 WeakPolarHBondContact CA-O 3.33Å; L265-F295 HydrophobicContact CB-CB 4.21Å; L265-F295 HydrophobicContact CB-CD2 4.45Å; L265-F295 HydrophobicContact CD2-CD2 3.78Å; L265-F295 HydrophobicContact CD2-CE2 4.37Å; L265-F295 HydrophobicContact CG-CD2 4.35Å; L265-F295 PolarHBondContact N-O 2.85Å; L265-F295 PolarHBondContact O-N 3.29Å; F267-F295 HydrophobicContact CB-CD2 4.01Å; F267-F295 HydrophobicContact CB-CE2 3.73Å; F267-F295 HydrophobicContact CG-CE2 4.22Å; N293-F295 HydrophobicContact CB-CE2 3.89Å; N293-F295 HydrophobicContact CB-CZ 4.43Å; F295-F297 HydrophobicContact CB-CE1 4.42Å; F295-F297 HydrophobicContact CB-CE2 3.93Å; F295-F297 HydrophobicContact CB-CZ 3.67Å; F295-L312 HydrophobicContact CB-CD2 3.91Å; F295-L312 HydrophobicContact CD1-CD1 4.45Å; F295-L312 HydrophobicContact CD1-CD2 3.49Å; F295-L312 VanDerWaalsContact CD1-CD2 3.49Å; F295-L312 HydrophobicContact CD2-CD2 3.98Å; F295-L312 HydrophobicContact CE1-CD1 4.28Å; F295-L312 HydrophobicContact CE1-CD2 3.92Å; F295-L312 HydrophobicContact CE2-CD2 4.32Å; F295-L312 HydrophobicContact CG-CD2 3.5Å; F295-L312 HydrophobicContact CZ-CD2 4.29Å |
| 296 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.4 | -175.4 | -53.1 | 167.9 | 0 | 0 | 0 | 107.5 | A117 M118 I120 V172 I182 G263 V264 L298 | A117-I296 VanDerWaalsContact CA-O 3.23Å; A117-I296 WeakPolarHBondContact CA-O 3.19Å; M118-I296 HydrophobicContact CG-CB 3.94Å; M118-I296 HydrophobicContact CG-CD1 4.1Å; M118-I296 HydrophobicContact CG-CG1 4.39Å; M118-I296 PolarHBondContact N-O 2.89Å; M118-I296 PolarHBondContact O-N 3.39Å; M118-I296 HydrophobicContact SD-CD1 4.17Å; I120-I296 HydrophobicContact CD1-CD1 3.92Å; I120-I296 HydrophobicContact CG1-CD1 4.4Å; V172-I296 HydrophobicContact CB-CD1 4.41Å; V172-I296 HydrophobicContact CG2-CD1 3.83Å; I182-I296 HydrophobicContact CD1-CD1 3.41Å; I182-I296 VanDerWaalsContact CD1-CD1 3.41Å; I182-I296 HydrophobicContact CD1-CG1 4.38Å; I182-I296 HydrophobicContact CG1-CD1 4.21Å; G263-I296 WeakPolarHBondContact O-CA 3.39Å; V264-I296 HydrophobicContact CG1-CG1 4.43Å; V264-I296 HydrophobicContact CG2-CG1 4.17Å; V264-I296 HydrophobicContact CG2-CG2 4.27Å; I296-L298 HydrophobicContact CG2-CD1 4.03Å |
| 297 | F | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.7 | -176.8 | -50.5 | -77.8 | 0 | 0 | 0 | 109.3 | A117 F250 H262 G263 L265 F295 V305 Q308 Y309 L312 | A117-F297 HydrophobicContact CB-CD1 3.99Å; A117-F297 HydrophobicContact CB-CE1 4.48Å; F250-F297 AromaticContact CE2-CD2 3.98Å; F250-F297 HydrophobicContact CE2-CD2 3.98Å; F250-F297 HydrophobicContact CE2-CE2 4.14Å; H262-F297 CarbonylContact C-O 3.5Å; H262-F297 WeakPolarHBondContact CA-O 3.14Å; H262-F297 VanDerWaalsContact CB-O 3.3Å; H262-F297 WeakPolarHBondContact CB-O 3.43Å; G263-F297 PolarHBondContact N-O 2.86Å; G263-F297 PolarHBondContact O-N 2.95Å; L265-F297 HydrophobicContact CB-CE2 4.2Å; F295-F297 HydrophobicContact CB-CE1 4.42Å; F295-F297 HydrophobicContact CB-CE2 3.93Å; F295-F297 HydrophobicContact CB-CZ 3.67Å; F297-V305 HydrophobicContact CB-CG1 4.29Å; F297-Q308 HydrophobicContact CB-CB 4.04Å; F297-Q308 HydrophobicContact CD1-CB 3.72Å; F297-Q308 WeakPolarHBondContact CE1-O 3.42Å; F297-Q308 HydrophobicContact CG-CB 4.21Å; F297-Y309 AromaticContact CE2-CD2 3.62Å; F297-Y309 HydrophobicContact CE2-CD2 3.62Å; F297-Y309 HydrophobicContact CE2-CG 4.11Å; F297-Y309 AromaticContact CZ-CD2 3.75Å; F297-Y309 HydrophobicContact CZ-CD2 3.75Å; F297-Y309 HydrophobicContact CZ-CG 4.41Å; F297-L312 HydrophobicContact CE1-CB 4.18Å; F297-L312 HydrophobicContact CE1-CD2 4.14Å; F297-L312 HydrophobicContact CZ-CB 4.27Å; F297-L312 HydrophobicContact CZ-CD2 3.65Å |
| 298 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -101.6 | 8.7 | -167.2 | -81.2 | 87.7 | 0 | 0 | 0 | 114.7 | H116 Y159 R174 L181 A261 I296 P300 Q308 | H116-L298 HydrophobicContact CB-CB 4.32Å; H116-L298 WeakPolarHBondContact O-CB 3.41Å; H116-L298 WeakPolarHBondContact O-CD1 3.31Å; H116-L298 PolarHBondContact O-N 3.16Å; Y159-L298 HydrophobicContact CD1-CD1 3.78Å; Y159-L298 HydrophobicContact CD1-CD2 4.06Å; Y159-L298 HydrophobicContact CG-CD1 4.34Å; Y159-L298 HydrophobicContact CG-CD2 4.34Å; R174-L298 PolarHBondContact NH1-O 2.8Å; R174-L298 PolarHBondContact NH2-O 2.88Å; L181-L298 HydrophobicContact CD1-CD1 4.48Å; L181-L298 HydrophobicContact CD1-CD2 3.76Å; L181-L298 HydrophobicContact CD1-CG 3.77Å; A261-L298 CarbonylContact O-C 3.59Å; I296-L298 HydrophobicContact CG2-CD1 4.03Å; L298-P300 VanDerWaalsContact O-CA 3.25Å; L298-P300 WeakPolarHBondContact O-CA 3.3Å; L298-Q308 VanDerWaalsContact N-OE1 3.1Å | ||
| 299 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 61.5 | -126.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q308 | G299-Q308 PolarHBondContact O-NE2 2.8Š| ||
| 300 | P | 97.2 | Very high | 97.4 | Very high | 48 Ų | 48 | 13.9 Ų | 13.9 | 31% | 0.312 | 8% | 0.084 | S | C | . | . | S | Bend | cis | -90.3 | -14.5 | 25.7 | 33.1 | -38 | 0 | 0 | 0 | 115.9 | N260 A261 L298 | N260-P300 CarbonylContact C-O 3.6Å; N260-P300 WeakPolarHBondContact CA-O 3.29Å; A261-P300 PolarHBondContact N-O 2.79Å; L298-P300 VanDerWaalsContact O-CA 3.25Å; L298-P300 WeakPolarHBondContact O-CA 3.3Å |
| 301 | T | 97.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 15.1 Ų | 15.1 | 31% | 0.313 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -88.4 | 156.4 | 176.6 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | D303 M304 V305 | T301-D303 VanDerWaalsContact C-N 3.27Å; T301-D303 PolarHBondContact O-N 2.86Å; T301-M304 PolarHBondContact O-N 2.92Å; T301-M304 VanDerWaalsContact O-N 3.1Å; T301-M304 VanDerWaalsContact OG1-CG 3.3Å; T301-M304 WeakPolarHBondContact OG1-CG 3.38Å; T301-M304 PolarHBondContact OG1-N 3.45Å; T301-V305 WeakPolarHBondContact O-CG2 3.33Å; T301-V305 PolarHBondContact O-N 2.81Å |
| 302 | P | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.8 | -37.9 | 175.3 | 20.7 | -34.5 | 0 | 0 | 0 | 113.7 | L252 M254 A261 V305 L306 F685 F686 P689 | L252-P302 HydrophobicContact CD1-CB 3.74Å; L252-P302 HydrophobicContact CD2-CB 4.25Å; M254-P302 HydrophobicContact SD-CB 4.31Å; M254-P302 HydrophobicContact SD-CG 4.29Å; A261-P302 HydrophobicContact CB-CB 4.41Å; P302-V305 WeakPolarHBondContact O-CB 3.43Å; P302-V305 PolarHBondContact O-N 3.36Å; P302-L306 PolarHBondContact O-N 2.83Å; P302-L306 VanDerWaalsContact O-N 3.13Å; P302-F685 HydrophobicContact CB-CD2 4.47Å; P302-F685 HydrophobicContact CB-CE2 4.07Å; P302-F685 HydrophobicContact CG-CD2 4.23Å; P302-F685 HydrophobicContact CG-CE2 4.34Å; P302-F686 HydrophobicContact CB-CD1 3.78Å; P302-F686 HydrophobicContact CB-CE1 3.9Å; P302-F686 HydrophobicContact CB-CG 4.42Å; P302-F686 HydrophobicContact CG-CD1 4.05Å; P302-F686 HydrophobicContact CG-CG 4.49Å; P302-P689 HydrophobicContact CG-CB 4.3Å |
| 303 | D | 95.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 15.1 Ų | 15.1 | 19% | 0.193 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.2 | -174.6 | 79.2 | 0 | 0 | 0 | 112 | T301 L306 A307 R682 | T301-D303 VanDerWaalsContact C-N 3.27Å; T301-D303 PolarHBondContact O-N 2.86Å; D303-L306 PolarHBondContact O-N 3.01Å; D303-A307 PolarHBondContact O-N 2.93Å; D303-R682 IonicContact OD1-CZ 3.58Å; D303-R682 IonicContact OD1-NH1 3.42Å; D303-R682 IonicContact OD1-NH2 2.96Å; D303-R682 PolarHBondContact OD1-NH2 3.41Å |
| 304 | M | 97.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 15.2 Ų | 15.2 | 38% | 0.379 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -68.9 | -35.2 | 175.3 | -71.9 | 178.4 | 74.3 | 0 | 0 | 112.6 | T301 L306 A307 Q308 | T301-M304 PolarHBondContact O-N 2.92Å; T301-M304 VanDerWaalsContact O-N 3.1Å; T301-M304 VanDerWaalsContact OG1-CG 3.3Å; T301-M304 WeakPolarHBondContact OG1-CG 3.38Å; T301-M304 PolarHBondContact OG1-N 3.45Å; M304-L306 VanDerWaalsContact C-N 3.31Å; M304-L306 PolarHBondContact O-N 2.9Å; M304-A307 PolarHBondContact O-N 3.28Å; M304-Q308 WeakPolarHBondContact O-CB 3.46Å; M304-Q308 WeakPolarHBondContact O-CG 3.39Å; M304-Q308 PolarHBondContact O-N 2.91Å |
| 305 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 172.1 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | F250 L252 A261 F297 T301 P302 Q308 Y309 | F250-V305 HydrophobicContact CZ-CG1 4.1Å; L252-V305 HydrophobicContact CD1-CB 4.29Å; L252-V305 HydrophobicContact CD1-CG1 4.16Å; L252-V305 HydrophobicContact CG-CG1 4.46Å; A261-V305 HydrophobicContact CB-CG2 4.05Å; A261-V305 WeakPolarHBondContact O-CG2 3.04Å; F297-V305 HydrophobicContact CB-CG1 4.29Å; T301-V305 WeakPolarHBondContact O-CG2 3.33Å; T301-V305 PolarHBondContact O-N 2.81Å; P302-V305 WeakPolarHBondContact O-CB 3.43Å; P302-V305 PolarHBondContact O-N 3.36Å; V305-Q308 PolarHBondContact O-N 3.03Å; V305-Y309 WeakPolarHBondContact O-CB 3.35Å; V305-Y309 PolarHBondContact O-N 2.89Å |
| 306 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 178.1 | -64.9 | -166.9 | 0 | 0 | 0 | 112.6 | F250 L252 P302 D303 M304 Q308 Y309 H310 M592 A679 F686 | F250-L306 HydrophobicContact CE1-CD2 3.83Å; F250-L306 HydrophobicContact CZ-CD2 4.07Å; L252-L306 HydrophobicContact CD1-CD2 4.26Å; L252-L306 HydrophobicContact CD1-CG 4.45Å; P302-L306 PolarHBondContact O-N 2.83Å; P302-L306 VanDerWaalsContact O-N 3.13Å; D303-L306 PolarHBondContact O-N 3.01Å; M304-L306 VanDerWaalsContact C-N 3.31Å; M304-L306 PolarHBondContact O-N 2.9Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 3.05Å; L306-Y309 PolarHBondContact O-N 2.86Å; L306-H310 VanDerWaalsContact O-CB 3.29Å; L306-H310 WeakPolarHBondContact O-CB 3.2Å; L306-H310 PolarHBondContact O-CD2 2.84Å; L306-H310 PolarHBondContact O-N 3.23Å; L306-M592 HydrophobicContact CD1-CG 4.26Å; L306-M592 HydrophobicContact CD2-CB 3.99Å; L306-M592 HydrophobicContact CD2-CG 4.23Å; L306-A679 HydrophobicContact CD1-CB 4.07Å; L306-F686 HydrophobicContact CD1-CE2 3.45Å; L306-F686 VanDerWaalsContact CD1-CE2 3.45Å; L306-F686 HydrophobicContact CD1-CZ 3.71Å; L306-F686 HydrophobicContact CG-CE2 4.42Å; L306-F686 HydrophobicContact CG-CZ 4.42Å |
| 307 | A | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 18.4 Ų | 18.4 | 24% | 0.24 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D303 M304 H310 D311 | D303-A307 PolarHBondContact O-N 2.93Å; M304-A307 PolarHBondContact O-N 3.28Å; A307-H310 PolarHBondContact O-N 2.82Å; A307-D311 PolarHBondContact O-N 3.42Å |
| 308 | Q | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 13% | 0.126 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 176 | -68.7 | 161.1 | 5.3 | 0 | 0 | 111.9 | F297 L298 G299 M304 V305 L306 L312 | F297-Q308 HydrophobicContact CB-CB 4.04Å; F297-Q308 HydrophobicContact CD1-CB 3.72Å; F297-Q308 WeakPolarHBondContact CE1-O 3.42Å; F297-Q308 HydrophobicContact CG-CB 4.21Å; L298-Q308 VanDerWaalsContact N-OE1 3.1Å; G299-Q308 PolarHBondContact O-NE2 2.8Å; M304-Q308 WeakPolarHBondContact O-CB 3.46Å; M304-Q308 WeakPolarHBondContact O-CG 3.39Å; M304-Q308 PolarHBondContact O-N 2.91Å; V305-Q308 PolarHBondContact O-N 3.03Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 3.05Å; Q308-L312 PolarHBondContact O-N 2.77Å |
| 309 | Y | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.7 | 174.6 | -136.8 | 0 | 0 | 0 | 111.9 | F250 L265 F297 V305 L306 D311 L312 I313 M592 | F250-Y309 HydrophobicContact CB-CE1 4.2Å; F250-Y309 HydrophobicContact CD1-CD1 4.08Å; F250-Y309 AromaticContact CD1-CE1 3.88Å; F250-Y309 HydrophobicContact CD1-CE1 3.88Å; F250-Y309 AromaticContact CD2-CD1 3.95Å; F250-Y309 HydrophobicContact CD2-CD1 3.95Å; F250-Y309 HydrophobicContact CD2-CD2 4.06Å; F250-Y309 AromaticContact CD2-CE1 3.96Å; F250-Y309 HydrophobicContact CD2-CE1 3.96Å; F250-Y309 HydrophobicContact CD2-CE2 4.06Å; F250-Y309 HydrophobicContact CD2-CG 4.02Å; F250-Y309 AromaticContact CE1-CD1 3.95Å; F250-Y309 HydrophobicContact CE1-CD1 3.95Å; F250-Y309 HydrophobicContact CE1-CE1 4.23Å; F250-Y309 AromaticContact CE2-CD1 3.82Å; F250-Y309 HydrophobicContact CE2-CD1 3.82Å; F250-Y309 HydrophobicContact CE2-CD2 4.13Å; F250-Y309 HydrophobicContact CE2-CE1 4.3Å; F250-Y309 AromaticContact CE2-CG 3.74Å; F250-Y309 HydrophobicContact CE2-CG 3.74Å; F250-Y309 HydrophobicContact CG-CD1 4.08Å; F250-Y309 AromaticContact CG-CE1 3.73Å; F250-Y309 HydrophobicContact CG-CE1 3.73Å; F250-Y309 HydrophobicContact CG-CE2 4.43Å; F250-Y309 AromaticContact CG-CZ 3.94Å; F250-Y309 AromaticContact CZ-CD1 3.82Å; F250-Y309 HydrophobicContact CZ-CD1 3.82Å; F250-Y309 HydrophobicContact CZ-CE1 4.43Å; F250-Y309 HydrophobicContact CZ-CG 4.08Å; L265-Y309 HydrophobicContact CB-CE2 4.12Å; L265-Y309 HydrophobicContact CD1-CE2 4.06Å; L265-Y309 HydrophobicContact CD2-CE2 3.95Å; L265-Y309 HydrophobicContact CG-CE2 4.25Å; F297-Y309 AromaticContact CE2-CD2 3.62Å; F297-Y309 HydrophobicContact CE2-CD2 3.62Å; F297-Y309 HydrophobicContact CE2-CG 4.11Å; F297-Y309 AromaticContact CZ-CD2 3.75Å; F297-Y309 HydrophobicContact CZ-CD2 3.75Å; F297-Y309 HydrophobicContact CZ-CG 4.41Å; V305-Y309 WeakPolarHBondContact O-CB 3.35Å; V305-Y309 PolarHBondContact O-N 2.89Å; L306-Y309 PolarHBondContact O-N 2.86Å; Y309-D311 PolarHBondContact O-N 2.87Å; Y309-L312 WeakPolarHBondContact O-CB 3.22Å; Y309-L312 PolarHBondContact O-N 3.42Å; Y309-I313 HydrophobicContact CD1-CD1 4.48Å; Y309-I313 HydrophobicContact CD2-CG2 3.79Å; Y309-I313 HydrophobicContact CE1-CD1 3.91Å; Y309-I313 HydrophobicContact CE2-CB 4.45Å; Y309-I313 HydrophobicContact CE2-CD1 4Å; Y309-I313 HydrophobicContact CE2-CG1 4.43Å; Y309-I313 HydrophobicContact CE2-CG2 3.28Å; Y309-I313 PolarHBondContact O-N 2.78Å; Y309-I313 VanDerWaalsContact O-N 3.11Å; Y309-M592 WeakPolarHBondContact CD1-O 3.44Å; Y309-M592 WeakPolarHBondContact CE1-O 3.43Å |
| 310 | H | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -33.6 | -177.8 | -65.4 | -173.1 | 0 | 0 | 0 | 111.9 | L306 A307 L312 I313 G314 H315 Q591 M592 G594 G678 | L306-H310 VanDerWaalsContact O-CB 3.29Å; L306-H310 WeakPolarHBondContact O-CB 3.2Å; L306-H310 PolarHBondContact O-CD2 2.84Å; L306-H310 PolarHBondContact O-N 3.23Å; A307-H310 PolarHBondContact O-N 2.82Å; H310-L312 VanDerWaalsContact C-N 3.29Å; H310-L312 PolarHBondContact O-N 3.21Å; H310-I313 PolarHBondContact O-N 2.82Å; H310-G314 CarbonylContact O-C 3.56Å; H310-G314 WeakPolarHBondContact O-CA 3.47Å; H310-G314 PolarHBondContact O-N 2.85Å; H310-H315 PolarHBondContact O-CD2 2.73Å; H310-H315 PolarHBondContact O-N 3.23Å; H310-Q591 PolarHBondContact CE1-O 3.01Å; H310-Q591 VanDerWaalsContact CE1-O 3.27Å; H310-M592 PolarHBondContact NE2-O 3Å; H310-G594 PolarHBondContact NE2-N 2.83Å; H310-G678 PolarHBondContact ND1-N 3.32Å |
| 311 | D | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 16.8 Ų | 16.8 | 23% | 0.225 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63 | -36.5 | 173.2 | -178.4 | 40.8 | 0 | 0 | 0 | 111.7 | H139 S143 R146 Y147 A307 Y309 | H139-D311 PolarHBondContact NE2-O 3.3Å; S143-D311 PolarHBondContact OG-O 3.4Å; R146-D311 IonicContact CZ-OD1 3.65Å; R146-D311 IonicContact NH1-OD1 3.89Å; R146-D311 PolarHBondContact NH1-OD1 2.96Å; R146-D311 IonicContact NH1-OD2 3.58Å; R146-D311 IonicContact NH2-OD1 2.82Å; R146-D311 PolarHBondContact NH2-OD1 3.46Å; R146-D311 IonicContact NH2-OD2 3.32Å; Y147-D311 WeakPolarHBondContact CE1-OD2 3.42Å; Y147-D311 PolarHBondContact OH-OD2 3.49Å; A307-D311 PolarHBondContact O-N 3.42Å; Y309-D311 PolarHBondContact O-N 2.87Å |
| 312 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.4 | -52.5 | 174.8 | 176.9 | 69.4 | 0 | 0 | 0 | 112 | H139 M140 L144 Y147 L265 F295 F297 Q308 Y309 H310 | H139-L312 PolarHBondContact CD2-O 3.25Å; M140-L312 WeakPolarHBondContact CA-O 3.43Å; M140-L312 HydrophobicContact CE-CD2 4.47Å; M140-L312 HydrophobicContact CE-CG 4.38Å; M140-L312 HydrophobicContact CG-CD1 4.01Å; M140-L312 HydrophobicContact CG-CG 4.25Å; L144-L312 HydrophobicContact CD2-CD1 3.82Å; L144-L312 HydrophobicContact CG-CD1 4.08Å; Y147-L312 HydrophobicContact CE2-CD1 4Å; Y147-L312 PolarHBondContact OH-N 3.44Å; L265-L312 HydrophobicContact CD2-CD2 4.43Å; F295-L312 HydrophobicContact CB-CD2 3.91Å; F295-L312 HydrophobicContact CD1-CD1 4.45Å; F295-L312 HydrophobicContact CD1-CD2 3.49Å; F295-L312 VanDerWaalsContact CD1-CD2 3.49Å; F295-L312 HydrophobicContact CD2-CD2 3.98Å; F295-L312 HydrophobicContact CE1-CD1 4.28Å; F295-L312 HydrophobicContact CE1-CD2 3.92Å; F295-L312 HydrophobicContact CE2-CD2 4.32Å; F295-L312 HydrophobicContact CG-CD2 3.5Å; F295-L312 HydrophobicContact CZ-CD2 4.29Å; F297-L312 HydrophobicContact CE1-CB 4.18Å; F297-L312 HydrophobicContact CE1-CD2 4.14Å; F297-L312 HydrophobicContact CZ-CB 4.27Å; F297-L312 HydrophobicContact CZ-CD2 3.65Å; Q308-L312 PolarHBondContact O-N 2.77Å; Y309-L312 WeakPolarHBondContact O-CB 3.22Å; Y309-L312 PolarHBondContact O-N 3.42Å; H310-L312 VanDerWaalsContact C-N 3.29Å; H310-L312 PolarHBondContact O-N 3.21Å |
| 313 | I | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -84 | -23 | -169.8 | 69.8 | 172.6 | 0 | 0 | 0 | 113.4 | H139 M140 L265 Y309 H310 V560 | H139-I313 VanDerWaalsContact CD2-C 3.42Å; M140-I313 HydrophobicContact CE-CB 4.43Å; M140-I313 HydrophobicContact CE-CG2 3.8Å; L265-I313 HydrophobicContact CD2-CG2 4.42Å; Y309-I313 HydrophobicContact CD1-CD1 4.48Å; Y309-I313 HydrophobicContact CD2-CG2 3.79Å; Y309-I313 HydrophobicContact CE1-CD1 3.91Å; Y309-I313 HydrophobicContact CE2-CB 4.45Å; Y309-I313 HydrophobicContact CE2-CD1 4Å; Y309-I313 HydrophobicContact CE2-CG1 4.43Å; Y309-I313 HydrophobicContact CE2-CG2 3.28Å; Y309-I313 PolarHBondContact O-N 2.78Å; Y309-I313 VanDerWaalsContact O-N 3.11Å; H310-I313 PolarHBondContact O-N 2.82Å; I313-V560 HydrophobicContact CB-CG1 4.06Å; I313-V560 HydrophobicContact CG2-CG1 3.46Å; I313-V560 VanDerWaalsContact CG2-CG1 3.46Å |
| 314 | G | 97.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | trans | 118.2 | 128.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H139 H310 | H139-G314 WeakPolarHBondContact CD2-CA 3.33Å; H139-G314 PolarHBondContact CD2-N 3.35Å; H139-G314 VanDerWaalsContact NE2-CA 3.35Å; H139-G314 WeakPolarHBondContact NE2-CA 3.26Å; H139-G314 PolarHBondContact NE2-N 3.33Å; H310-G314 CarbonylContact O-C 3.56Å; H310-G314 WeakPolarHBondContact O-CA 3.47Å; H310-G314 PolarHBondContact O-N 2.85Å | ||
| 315 | H | 97.9 | Very high | 98 | Very high | 36 Ų | 36 | 9.3 Ų | 9.3 | 17% | 0.167 | 5% | 0.054 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 146.1 | 171.2 | -60.5 | 167.5 | 0 | 0 | 0 | 110.7 | H310 Y674 I675 | H310-H315 PolarHBondContact O-CD2 2.73Å; H310-H315 PolarHBondContact O-N 3.23Å; H315-Y674 WeakPolarHBondContact CB-O 3.37Å; H315-Y674 PolarHBondContact ND1-O 3.13Å; H315-Y674 VanDerWaalsContact ND1-O 3.12Å; H315-I675 PolarHBondContact CE1-O 3.06Å; H315-I675 PolarHBondContact ND1-O 3.45Å; H315-I675 VanDerWaalsContact ND1-O 3.15Å |
| 316 | P | 97.5 | Very high | 98 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 3% | 0.026 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 146 | 177 | 24.6 | -34.3 | 0 | 0 | 0 | 111.8 | G563 P596 A673 Y674 | P316-G563 CarbonylContact C-O 3.45Å; P316-G563 VanDerWaalsContact CA-O 3.23Å; P316-G563 WeakPolarHBondContact CA-O 3.37Å; P316-P596 HydrophobicContact CB-CG 3.75Å; P316-P596 HydrophobicContact CG-CG 3.68Å; P316-A673 WeakPolarHBondContact CD-O 3.36Å; P316-A673 HydrophobicContact CG-CB 3.91Å; P316-Y674 WeakPolarHBondContact O-CA 3.32Å; P316-Y674 WeakPolarHBondContact O-CD2 3.42Å |
| 317 | S | 95.3 | Very high | 98 | Very high | 28 Ų | 28 | 9.5 Ų | 9.5 | 20% | 0.196 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 142.1 | 173.7 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | P319 G563 | S317-P319 VanDerWaalsContact O-CD 3.29Å; S317-P319 WeakPolarHBondContact O-CD 3.5Å; S317-G563 PolarHBondContact N-O 3.16Å |
| 318 | L | 97.3 | Very high | 98 | Very high | 10 Ų | 10 | 8.1 Ų | 8.1 | 5% | 0.052 | 4% | 0.043 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 116.2 | 165.9 | -175.1 | 62.8 | 0 | 0 | 0 | 108.4 | R550 Y667 L670 Y674 Y798 | L318-R550 WeakPolarHBondContact O-CD 3.3Å; L318-Y667 HydrophobicContact CD1-CD2 4.29Å; L318-Y667 HydrophobicContact CD1-CE2 3.84Å; L318-Y667 HydrophobicContact CD2-CE2 4.42Å; L318-Y667 HydrophobicContact CG-CE2 4.21Å; L318-L670 HydrophobicContact CD1-CB 3.96Å; L318-Y674 HydrophobicContact CB-CD1 4.41Å; L318-Y674 HydrophobicContact CB-CD2 4.06Å; L318-Y674 HydrophobicContact CB-CG 3.94Å; L318-Y798 HydrophobicContact CD2-CE1 4.01Å |
| 319 | P | 97.6 | Very high | 98 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.013 | 4% | 0.037 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 160.9 | 177.7 | 31.3 | -39.7 | 0 | 0 | 0 | 111.5 | S317 L324 M597 L670 | S317-P319 VanDerWaalsContact O-CD 3.29Å; S317-P319 WeakPolarHBondContact O-CD 3.5Å; P319-L324 HydrophobicContact CB-CD1 4.45Å; P319-L324 HydrophobicContact CG-CD1 3.69Å; P319-M597 HydrophobicContact CB-CE 4.23Å; P319-M597 HydrophobicContact CB-CG 4.49Å; P319-M597 HydrophobicContact CG-CE 3.95Å; P319-M597 HydrophobicContact CG-CG 3.85Å; P319-M597 HydrophobicContact CG-SD 4.07Å; P319-L670 HydrophobicContact CG-CD1 4.08Å |
| 320 | P | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 148.9 | 165 | 29.5 | -35.3 | 0 | 0 | 0 | 110.4 | W322 G323 R550 F552 G802 | P320-W322 VanDerWaalsContact C-N 3.28Å; P320-W322 HydrophobicContact CB-CG 4.45Å; P320-W322 VanDerWaalsContact CB-NE1 3.34Å; P320-W322 HydrophobicContact CG-CD2 4.36Å; P320-W322 HydrophobicContact CG-CZ2 3.83Å; P320-W322 PolarHBondContact O-N 2.99Å; P320-G323 WeakPolarHBondContact O-CA 3.45Å; P320-G323 PolarHBondContact O-N 2.95Å; P320-R550 HydrophobicContact CB-CB 4.17Å; P320-R550 HydrophobicContact CG-CB 4.48Å; P320-F552 HydrophobicContact CG-CB 4.05Å; P320-F552 HydrophobicContact CG-CD2 4.2Å; P320-G802 CarbonylContact C-O 3.6Å; P320-G802 WeakPolarHBondContact CA-O 3.43Å |
| 321 | Y | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.016 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -62.3 | -35 | -171.3 | -165.8 | -81.4 | 0 | 0 | 0 | 112.5 | G323 L324 L663 Y667 T773 R777 W799 G802 | Y321-G323 PolarHBondContact O-N 3.2Å; Y321-L324 WeakPolarHBondContact O-CB 3.15Å; Y321-L324 PolarHBondContact O-N 3.44Å; Y321-L324 VanDerWaalsContact O-N 3.09Å; Y321-L663 HydrophobicContact CE1-CB 4.29Å; Y321-L663 HydrophobicContact CE1-CD1 4.35Å; Y321-L663 VanDerWaalsContact OH-CB 3.3Å; Y321-L663 WeakPolarHBondContact OH-CB 3.41Å; Y321-Y667 AromaticContact CD2-CD1 3.6Å; Y321-Y667 HydrophobicContact CD2-CD1 3.6Å; Y321-Y667 AromaticContact CD2-CD2 3.68Å; Y321-Y667 HydrophobicContact CD2-CD2 3.68Å; Y321-Y667 AromaticContact CD2-CE1 3.76Å; Y321-Y667 HydrophobicContact CD2-CE1 3.76Å; Y321-Y667 AromaticContact CD2-CE2 3.87Å; Y321-Y667 HydrophobicContact CD2-CE2 3.87Å; Y321-Y667 AromaticContact CD2-CG 3.54Å; Y321-Y667 HydrophobicContact CD2-CG 3.54Å; Y321-Y667 AromaticContact CD2-CZ 3.88Å; Y321-Y667 AromaticContact CE2-CD1 3.61Å; Y321-Y667 HydrophobicContact CE2-CD1 3.61Å; Y321-Y667 HydrophobicContact CE2-CD2 4.15Å; Y321-Y667 HydrophobicContact CE2-CE1 4.19Å; Y321-Y667 AromaticContact CE2-CG 3.56Å; Y321-Y667 HydrophobicContact CE2-CG 3.56Å; Y321-T773 HydrophobicContact CD1-CG2 3.82Å; Y321-T773 HydrophobicContact CE1-CG2 3.86Å; Y321-R777 HydrophobicContact CD1-CG 4.17Å; Y321-R777 HydrophobicContact CE1-CG 3.81Å; Y321-R777 VanDerWaalsContact CE2-NH1 3.33Å; Y321-W799 HydrophobicContact CE2-CE3 4.49Å; Y321-W799 AromaticContact CE2-CH2 3.88Å; Y321-W799 HydrophobicContact CE2-CH2 3.88Å; Y321-W799 AromaticContact CE2-CZ3 3.69Å; Y321-W799 HydrophobicContact CE2-CZ3 3.69Å; Y321-W799 AromaticContact CZ-CH2 3.78Å; Y321-W799 AromaticContact CZ-CZ3 3.94Å; Y321-W799 WeakPolarHBondContact OH-CH2 3.35Å; Y321-G802 PolarHBondContact N-O 3.03Å |
| 322 | W | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 7 Ų | 7 | 3% | 0.027 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -61.6 | -26.2 | 174.6 | 68.1 | -101.3 | 0 | 0 | 0 | 112.3 | P320 L324 G325 H327 D354 K393 V395 F552 T773 | P320-W322 VanDerWaalsContact C-N 3.28Å; P320-W322 HydrophobicContact CB-CG 4.45Å; P320-W322 VanDerWaalsContact CB-NE1 3.34Å; P320-W322 HydrophobicContact CG-CD2 4.36Å; P320-W322 HydrophobicContact CG-CZ2 3.83Å; P320-W322 PolarHBondContact O-N 2.99Å; W322-L324 PolarHBondContact O-N 2.91Å; W322-G325 PolarHBondContact O-N 3.19Å; W322-H327 AromaticContact CE3-CE1 3.9Å; W322-H327 AromaticContact CZ3-CE1 3.57Å; W322-D354 HydrophobicContact CB-CB 4.35Å; W322-D354 WeakPolarHBondContact O-CB 3.45Å; W322-K393 HydrophobicContact CB-CG 4.48Å; W322-K393 HydrophobicContact CD2-CB 3.92Å; W322-K393 HydrophobicContact CD2-CG 3.49Å; W322-K393 VanDerWaalsContact CD2-CG 3.49Å; W322-K393 HydrophobicContact CE3-CB 3.79Å; W322-K393 HydrophobicContact CE3-CG 3.86Å; W322-K393 HydrophobicContact CG-CG 3.75Å; W322-K393 HydrophobicContact CH2-CB 4Å; W322-K393 HydrophobicContact CZ2-CB 4.12Å; W322-K393 HydrophobicContact CZ2-CG 4.19Å; W322-K393 HydrophobicContact CZ3-CB 3.82Å; W322-K393 HydrophobicContact CZ3-CG 4.35Å; W322-V395 HydrophobicContact CH2-CG2 3.85Å; W322-V395 HydrophobicContact CZ3-CG2 4.13Å; W322-F552 HydrophobicContact CH2-CB 3.82Å; W322-F552 AromaticContact CH2-CD1 3.72Å; W322-F552 HydrophobicContact CH2-CD1 3.72Å; W322-F552 AromaticContact CH2-CD2 3.78Å; W322-F552 HydrophobicContact CH2-CD2 3.78Å; W322-F552 HydrophobicContact CH2-CE1 4.2Å; W322-F552 HydrophobicContact CH2-CE2 4.24Å; W322-F552 AromaticContact CH2-CG 3.48Å; W322-F552 HydrophobicContact CH2-CG 3.48Å; W322-F552 VanDerWaalsContact CH2-CG 3.48Å; W322-F552 HydrophobicContact CH2-CZ 4.43Å; W322-F552 HydrophobicContact CZ2-CB 3.67Å; W322-F552 HydrophobicContact CZ2-CD1 4.45Å; W322-F552 HydrophobicContact CZ2-CD2 4.12Å; W322-F552 AromaticContact CZ2-CG 3.84Å; W322-F552 HydrophobicContact CZ2-CG 3.84Å; W322-F552 HydrophobicContact CZ3-CD1 4.49Å; W322-F552 HydrophobicContact CZ3-CD2 4.28Å; W322-F552 HydrophobicContact CZ3-CE2 4.34Å; W322-F552 HydrophobicContact CZ3-CG 4.35Å; W322-F552 HydrophobicContact CZ3-CZ 4.48Å; W322-T773 WeakPolarHBondContact CA-OG1 3.46Å |
| 323 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P320 Y321 G325 H327 | P320-G323 WeakPolarHBondContact O-CA 3.45Å; P320-G323 PolarHBondContact O-N 2.95Å; Y321-G323 PolarHBondContact O-N 3.2Å; G323-G325 VanDerWaalsContact C-N 3.31Å; G323-H327 PolarHBondContact O-NE2 3.24Å |
| 324 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -80.1 | -12.4 | 174.8 | -72.9 | 64.4 | 0 | 0 | 0 | 112.8 | P319 Y321 W322 M597 R659 L663 L666 Y667 L670 | P319-L324 HydrophobicContact CB-CD1 4.45Å; P319-L324 HydrophobicContact CG-CD1 3.69Å; Y321-L324 WeakPolarHBondContact O-CB 3.15Å; Y321-L324 PolarHBondContact O-N 3.44Å; Y321-L324 VanDerWaalsContact O-N 3.09Å; W322-L324 PolarHBondContact O-N 2.91Å; L324-M597 HydrophobicContact CD1-CE 4.4Å; L324-R659 PolarHBondContact O-NE 3.4Å; L324-R659 PolarHBondContact O-NH2 2.92Å; L324-L663 HydrophobicContact CB-CD1 4.41Å; L324-L663 HydrophobicContact CB-CD2 3.92Å; L324-L663 HydrophobicContact CD2-CD2 4.5Å; L324-L663 WeakPolarHBondContact O-CD2 3.41Å; L324-L666 HydrophobicContact CB-CD2 4.43Å; L324-L666 HydrophobicContact CD2-CB 4.36Å; L324-L666 HydrophobicContact CD2-CD2 4.15Å; L324-L666 HydrophobicContact CD2-CG 4.09Å; L324-L666 HydrophobicContact CG-CD2 4.16Å; L324-Y667 HydrophobicContact CD1-CD2 4.32Å; L324-Y667 HydrophobicContact CD2-CD2 3.87Å; L324-Y667 HydrophobicContact CD2-CG 4.23Å; L324-L670 HydrophobicContact CD1-CD1 3.9Å; L324-L670 HydrophobicContact CD2-CD1 3.93Å; L324-L670 HydrophobicContact CG-CD1 3.85Å |
| 325 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -64.4 | -169.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | W322 G323 H327 D354 | W322-G325 PolarHBondContact O-N 3.19Å; G323-G325 VanDerWaalsContact C-N 3.31Å; G325-H327 PolarHBondContact O-CD2 3.3Å; G325-H327 VanDerWaalsContact O-CD2 3.26Å; G325-D354 WeakPolarHBondContact CA-OD2 3.5Å |
| 326 | F | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.1 | 171.8 | 175.3 | -106.1 | 0 | 0 | 0 | 109.9 | L328 I351 P352 Q353 D354 G355 I602 N629 P641 L656 Y660 | F326-L328 HydrophobicContact CD1-CD2 4.48Å; F326-L328 HydrophobicContact CE1-CD2 3.41Å; F326-L328 VanDerWaalsContact CE1-CD2 3.41Å; F326-L328 HydrophobicContact CE1-CG 3.9Å; F326-L328 HydrophobicContact CZ-CD2 3.75Å; F326-I351 HydrophobicContact CD1-CG2 4.28Å; F326-I351 HydrophobicContact CE1-CG2 4.17Å; F326-P352 WeakPolarHBondContact CD1-O 3.42Å; F326-Q353 WeakPolarHBondContact O-CA 3.22Å; F326-D354 PolarHBondContact O-N 3.26Å; F326-G355 PolarHBondContact O-N 2.48Å; F326-I602 HydrophobicContact CE2-CD1 4.07Å; F326-N629 HydrophobicContact CE2-CB 4.18Å; F326-N629 HydrophobicContact CZ-CB 3.76Å; F326-P641 HydrophobicContact CE1-CG 3.84Å; F326-P641 HydrophobicContact CZ-CG 3.75Å; F326-L656 HydrophobicContact CB-CD1 4.42Å; F326-L656 HydrophobicContact CB-CD2 4.07Å; F326-L656 HydrophobicContact CD1-CD1 3.88Å; F326-L656 HydrophobicContact CD2-CD1 4.17Å; F326-L656 HydrophobicContact CD2-CD2 3.7Å; F326-L656 HydrophobicContact CE1-CD1 4.12Å; F326-L656 HydrophobicContact CE2-CD1 4.4Å; F326-L656 HydrophobicContact CE2-CD2 4.33Å; F326-L656 HydrophobicContact CG-CD1 3.89Å; F326-L656 HydrophobicContact CG-CD2 3.92Å; F326-L656 HydrophobicContact CZ-CD1 4.38Å; F326-Y660 HydrophobicContact CB-CE2 4.07Å; F326-Y660 PolarHBondContact N-OH 2.99Å |
| 327 | H | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.7 | -174.7 | -59.2 | -130.2 | 0 | 0 | 0 | 110.6 | W322 G323 G325 G355 F357 F552 S627 R628 N629 | W322-H327 AromaticContact CE3-CE1 3.9Å; W322-H327 AromaticContact CZ3-CE1 3.57Å; G323-H327 PolarHBondContact O-NE2 3.24Å; G325-H327 PolarHBondContact O-CD2 3.3Å; G325-H327 VanDerWaalsContact O-CD2 3.26Å; H327-G355 WeakPolarHBondContact CA-O 3.16Å; H327-F357 HydrophobicContact CB-CD2 4.01Å; H327-F357 HydrophobicContact CB-CE2 3.61Å; H327-F357 AromaticContact CG-CE2 3.82Å; H327-F357 AromaticContact ND1-CE2 3.32Å; H327-F357 VanDerWaalsContact ND1-CE2 3.32Å; H327-F357 WeakPolarHBondContact ND1-CE2 3.19Å; H327-F552 AromaticContact CE1-CZ 3.9Å; H327-S627 PolarHBondContact N-O 2.97Å; H327-R628 HydrophobicContact CB-CB 4.21Å; H327-R628 HydrophobicContact CB-CG 4.18Å; H327-R628 WeakPolarHBondContact O-CA 3.49Å; H327-N629 PolarHBondContact O-N 3.11Å |
| 328 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139 | 173.5 | -71.1 | -179.8 | 0 | 0 | 0 | 110.3 | F326 N346 Q353 G355 Q356 F357 N629 D640 P641 | F326-L328 HydrophobicContact CD1-CD2 4.48Å; F326-L328 HydrophobicContact CE1-CD2 3.41Å; F326-L328 VanDerWaalsContact CE1-CD2 3.41Å; F326-L328 HydrophobicContact CE1-CG 3.9Å; F326-L328 HydrophobicContact CZ-CD2 3.75Å; L328-N346 HydrophobicContact CD1-CB 3.95Å; L328-Q353 HydrophobicContact CG-CG 4.46Å; L328-G355 PolarHBondContact N-O 3.4Å; L328-Q356 PolarHBondContact O-NE2 2.84Å; L328-F357 PolarHBondContact O-N 2.83Å; L328-N629 HydrophobicContact CD2-CB 4.21Å; L328-D640 HydrophobicContact CD2-CB 4.27Å; L328-P641 HydrophobicContact CD2-CG 4.5Å |
| 329 | S | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | trans | -148.6 | 162.3 | 175.2 | -166.5 | 0 | 0 | 0 | 0 | 109.6 | F357 N629 H630 | S329-F357 VanDerWaalsContact OG-CB 3.25Å; S329-F357 WeakPolarHBondContact OG-CB 3.14Å; S329-N629 WeakPolarHBondContact CA-O 3.35Å; S329-N629 WeakPolarHBondContact CB-O 3.33Å; S329-N629 PolarHBondContact N-O 3.43Å; S329-N629 VanDerWaalsContact O-O 3.1Å; S329-H630 VanDerWaalsContact CB-ND1 3.3Å; S329-H630 WeakPolarHBondContact CB-ND1 3.28Å; S329-H630 WeakPolarHBondContact O-CA 3.45Å; S329-H630 PolarHBondContact OG-CE1 3Å; S329-H630 PolarHBondContact OG-ND1 2.71Å | ||
| 330 | R | 96.2 | Very high | 97.3 | Very high | 20 Ų | 20 | 21.3 Ų | 21.3 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | trans | -165.8 | 136.2 | 168.7 | 176 | 168.6 | 179.1 | 123.7 | 24.5 | 108.8 | Y333 H630 N631 S632 V635 R637 D638 | R330-Y333 HydrophobicContact CB-CD1 4.21Å; R330-Y333 HydrophobicContact CB-CD2 4.3Å; R330-Y333 HydrophobicContact CB-CE1 3.73Å; R330-Y333 HydrophobicContact CB-CE2 3.86Å; R330-Y333 HydrophobicContact CB-CG 4.47Å; R330-Y333 HydrophobicContact CG-CE1 4.45Å; R330-Y333 WeakPolarHBondContact O-CD2 3.18Å; R330-H630 VanDerWaalsContact CA-ND1 3.34Å; R330-H630 WeakPolarHBondContact CA-ND1 3.31Å; R330-H630 PolarHBondContact N-ND1 3.03Å; R330-N631 VanDerWaalsContact CZ-ND2 3.33Å; R330-N631 PolarHBondContact NH1-ND2 3.31Å; R330-N631 PolarHBondContact NH2-ND2 3.01Å; R330-S632 PolarHBondContact NH2-O 2.81Å; R330-V635 PolarHBondContact NH2-O 2.91Å; R330-R637 PolarHBondContact NH1-O 3.47Å; R330-D638 IonicContact CZ-OD1 2.75Å; R330-D638 IonicContact NH1-OD1 2.75Å; R330-D638 PolarHBondContact NH1-OD1 2.76Å | ||
| 331 | F | 96.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 26 Ų | 26 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 125.4 | 158.9 | -178 | -147.6 | 0 | 0 | 0 | 107.9 | D359 I360 W437 F605 H630 N631 S632 D633 | F331-D359 WeakPolarHBondContact CA-OD2 3.23Å; F331-D359 HydrophobicContact CB-CB 4.47Å; F331-D359 VanDerWaalsContact CB-OD2 3.23Å; F331-D359 WeakPolarHBondContact CB-OD2 3.49Å; F331-D359 HydrophobicContact CD2-CB 4.37Å; F331-I360 HydrophobicContact CD2-CG1 4.21Å; F331-I360 HydrophobicContact CE2-CD1 3.91Å; F331-I360 HydrophobicContact CE2-CG1 3.72Å; F331-I360 HydrophobicContact CZ-CD1 4.2Å; F331-I360 HydrophobicContact CZ-CG1 4.5Å; F331-W437 HydrophobicContact CE1-CH2 4.2Å; F331-W437 HydrophobicContact CZ-CH2 4.28Å; F331-W437 HydrophobicContact CZ-CZ3 4.44Å; F331-F605 HydrophobicContact CB-CE2 4.16Å; F331-F605 HydrophobicContact CD1-CZ 4.35Å; F331-H630 PolarHBondContact N-CE1 3.29Å; F331-H630 VanDerWaalsContact N-CE1 3.29Å; F331-N631 PolarHBondContact N-O 2.99Å; F331-S632 CarbonylContact O-C 3.6Å; F331-S632 VanDerWaalsContact O-C 3.3Å; F331-D633 HydrophobicContact CD1-CB 3.84Å; F331-D633 WeakPolarHBondContact CD1-OD1 3.35Å; F331-D633 HydrophobicContact CD2-CB 4.37Å; F331-D633 HydrophobicContact CE1-CB 3.96Å; F331-D633 WeakPolarHBondContact CE1-OD1 3.32Å; F331-D633 HydrophobicContact CE2-CB 4.46Å; F331-D633 HydrophobicContact CG-CB 4.04Å; F331-D633 HydrophobicContact CZ-CB 4.26Å; F331-D633 WeakPolarHBondContact CZ-OD2 3.36Å; F331-D633 VanDerWaalsContact O-CA 3.32Å; F331-D633 WeakPolarHBondContact O-CA 3.08Å; F331-D633 WeakPolarHBondContact O-CB 3.41Å; F331-D633 PolarHBondContact O-N 3.42Å; F331-D633 VanDerWaalsContact O-N 3.17Å |
| 332 | G | 93.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | 24.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K334 D361 | G332-K334 VanDerWaalsContact C-N 3.32Å; G332-K334 PolarHBondContact O-N 2.99Å; G332-D361 WeakPolarHBondContact CA-OD2 3.48Å; G332-D361 PolarHBondContact N-OD2 3.44Å |
| 333 | Y | 95.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | trans | -67.3 | 93.1 | 162.8 | -71.2 | -48.2 | 0 | 0 | 0 | 108.9 | R330 N335 L339 V342 Q356 D361 F376 | R330-Y333 HydrophobicContact CB-CD1 4.21Å; R330-Y333 HydrophobicContact CB-CD2 4.3Å; R330-Y333 HydrophobicContact CB-CE1 3.73Å; R330-Y333 HydrophobicContact CB-CE2 3.86Å; R330-Y333 HydrophobicContact CB-CG 4.47Å; R330-Y333 HydrophobicContact CG-CE1 4.45Å; R330-Y333 WeakPolarHBondContact O-CD2 3.18Å; Y333-N335 PolarHBondContact O-N 3.03Å; Y333-N335 VanDerWaalsContact O-N 3.08Å; Y333-L339 HydrophobicContact CD1-CB 4.37Å; Y333-L339 HydrophobicContact CD1-CD1 4.31Å; Y333-L339 HydrophobicContact CD2-CD1 3.8Å; Y333-L339 HydrophobicContact CE1-CD1 4.2Å; Y333-L339 HydrophobicContact CE2-CD1 3.64Å; Y333-L339 HydrophobicContact CG-CB 4.28Å; Y333-L339 HydrophobicContact CG-CD1 4.14Å; Y333-V342 HydrophobicContact CD1-CG2 4.37Å; Y333-V342 HydrophobicContact CE1-CB 4.04Å; Y333-V342 HydrophobicContact CE1-CG1 4.2Å; Y333-V342 HydrophobicContact CE1-CG2 3.79Å; Y333-Q356 PolarHBondContact OH-NE2 2.85Å; Y333-D361 PolarHBondContact N-OD2 3.1Å; Y333-D361 WeakPolarHBondContact O-CB 3.29Å; Y333-F376 WeakPolarHBondContact O-CZ 3.42Å | ||
| 334 | K | 93.3 | Very high | 97.2 | Very high | 143 Ų | 143 | 33.5 Ų | 33.5 | 62% | 0.622 | 17% | 0.171 | S | C | * | . | trans | -56.9 | -31.8 | -170.4 | -62.1 | 179.7 | -179.3 | 175.3 | 0 | 114.5 | G332 S338 | G332-K334 VanDerWaalsContact C-N 3.32Å; G332-K334 PolarHBondContact O-N 2.99Å; K334-S338 PolarHBondContact N-OG 3.41Å; K334-S338 VanDerWaalsContact N-OG 3.09Å | ||
| 335 | N | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -165 | 176.3 | 179.7 | 53.6 | 61.1 | 0 | 0 | 0 | 111.6 | Y333 S337 S338 L339 R375 | Y333-N335 PolarHBondContact O-N 3.03Å; Y333-N335 VanDerWaalsContact O-N 3.08Å; N335-S337 VanDerWaalsContact C-N 3.27Å; N335-S337 PolarHBondContact O-N 3.04Å; N335-S337 WeakPolarHBondContact OD1-CA 3.35Å; N335-S337 WeakPolarHBondContact OD1-CB 3.44Å; N335-S337 PolarHBondContact OD1-N 3.33Å; N335-S337 VanDerWaalsContact OD1-N 3.09Å; N335-S338 PolarHBondContact N-OG 3.47Å; N335-S338 PolarHBondContact O-N 3.15Å; N335-S338 VanDerWaalsContact O-N 3.16Å; N335-S338 PolarHBondContact O-OG 3.25Å; N335-S338 PolarHBondContact OD1-N 3.07Å; N335-L339 PolarHBondContact O-N 2.88Å; N335-L339 VanDerWaalsContact O-N 3.15Å; N335-R375 WeakPolarHBondContact CA-O 3.26Å; N335-R375 HydrophobicContact CB-CB 4.22Å; N335-R375 WeakPolarHBondContact CB-O 3.44Å |
| 336 | L | 98.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -37.1 | 178.6 | -179.3 | 60.5 | 0 | 0 | 0 | 113.2 | L339 T340 R375 F376 A377 L379 Y382 | L336-L339 HydrophobicContact CD1-CD2 4.29Å; L336-L339 PolarHBondContact O-N 3.04Å; L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 PolarHBondContact O-N 3.2Å; L336-T340 PolarHBondContact O-OG1 2.87Å; L336-R375 PolarHBondContact N-O 3.34Å; L336-F376 HydrophobicContact CB-CD1 4.26Å; L336-A377 WeakPolarHBondContact CD2-O 3.49Å; L336-L379 HydrophobicContact CD1-CB 4.45Å; L336-L379 HydrophobicContact CD1-CD1 3.89Å; L336-Y382 HydrophobicContact CD1-CD1 3.67Å; L336-Y382 HydrophobicContact CD1-CE1 4.4Å; L336-Y382 HydrophobicContact CD1-CG 3.96Å |
| 337 | S | 98.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -65.9 | -41.2 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | N335 T340 N341 | N335-S337 VanDerWaalsContact C-N 3.27Å; N335-S337 PolarHBondContact O-N 3.04Å; N335-S337 WeakPolarHBondContact OD1-CA 3.35Å; N335-S337 WeakPolarHBondContact OD1-CB 3.44Å; N335-S337 PolarHBondContact OD1-N 3.33Å; N335-S337 VanDerWaalsContact OD1-N 3.09Å; S337-T340 PolarHBondContact O-N 3.25Å; S337-N341 VanDerWaalsContact O-CB 3.31Å; S337-N341 WeakPolarHBondContact O-CB 3.24Å; S337-N341 PolarHBondContact O-N 3.16Å; S337-N341 PolarHBondContact O-ND2 3.32Å |
| 338 | S | 95.4 | Very high | 97 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -46 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112 | K334 N335 T340 N341 V342 | K334-S338 PolarHBondContact N-OG 3.41Å; K334-S338 VanDerWaalsContact N-OG 3.09Å; N335-S338 PolarHBondContact N-OG 3.47Å; N335-S338 PolarHBondContact O-N 3.15Å; N335-S338 VanDerWaalsContact O-N 3.16Å; N335-S338 PolarHBondContact O-OG 3.25Å; N335-S338 PolarHBondContact OD1-N 3.07Å; S338-T340 PolarHBondContact O-N 3.27Å; S338-N341 PolarHBondContact O-N 3.34Å; S338-V342 VanDerWaalsContact O-CG2 3.25Å; S338-V342 WeakPolarHBondContact O-CG2 3.15Å; S338-V342 PolarHBondContact O-N 3.09Å; S338-V342 VanDerWaalsContact O-N 3.11Å |
| 339 | L | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -51.5 | 175.6 | 171.8 | 65.2 | 0 | 0 | 0 | 110.9 | Y333 N335 L336 N341 V342 V343 Q356 L358 L379 Y382 | Y333-L339 HydrophobicContact CD1-CB 4.37Å; Y333-L339 HydrophobicContact CD1-CD1 4.31Å; Y333-L339 HydrophobicContact CD2-CD1 3.8Å; Y333-L339 HydrophobicContact CE1-CD1 4.2Å; Y333-L339 HydrophobicContact CE2-CD1 3.64Å; Y333-L339 HydrophobicContact CG-CB 4.28Å; Y333-L339 HydrophobicContact CG-CD1 4.14Å; N335-L339 PolarHBondContact O-N 2.88Å; N335-L339 VanDerWaalsContact O-N 3.15Å; L336-L339 HydrophobicContact CD1-CD2 4.29Å; L336-L339 PolarHBondContact O-N 3.04Å; L339-N341 VanDerWaalsContact C-N 3.3Å; L339-N341 PolarHBondContact O-N 3.33Å; L339-V342 PolarHBondContact O-N 3.06Å; L339-V343 HydrophobicContact CD1-CG2 4.37Å; L339-V343 WeakPolarHBondContact O-CG2 3.49Å; L339-V343 PolarHBondContact O-N 2.68Å; L339-Q356 HydrophobicContact CD1-CG 4.07Å; L339-L358 HydrophobicContact CD1-CD2 4.22Å; L339-L358 HydrophobicContact CD2-CD2 3.56Å; L339-L379 HydrophobicContact CD2-CD1 3.98Å; L339-Y382 HydrophobicContact CD2-CD1 4.39Å; L339-Y382 HydrophobicContact CD2-CE1 4.15Å; L339-Y382 HydrophobicContact CG-CE1 4.23Å |
| 340 | T | 97.9 | Very high | 97 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | L336 S337 S338 R344 Y382 | L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 PolarHBondContact O-N 3.2Å; L336-T340 PolarHBondContact O-OG1 2.87Å; S337-T340 PolarHBondContact O-N 3.25Å; S338-T340 PolarHBondContact O-N 3.27Å; T340-R344 WeakPolarHBondContact O-CB 3.27Å; T340-R344 PolarHBondContact O-N 3.33Å; T340-Y382 HydrophobicContact CG2-CE2 3.78Å |
| 341 | N | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.7 | -73.8 | -17.5 | 0 | 0 | 0 | 111.9 | S337 S338 L339 R344 R345 | S337-N341 VanDerWaalsContact O-CB 3.31Å; S337-N341 WeakPolarHBondContact O-CB 3.24Å; S337-N341 PolarHBondContact O-N 3.16Å; S337-N341 PolarHBondContact O-ND2 3.32Å; S338-N341 PolarHBondContact O-N 3.34Å; L339-N341 VanDerWaalsContact C-N 3.3Å; L339-N341 PolarHBondContact O-N 3.33Å; N341-R344 PolarHBondContact O-N 3.13Å; N341-R345 WeakPolarHBondContact O-CG 3.44Å; N341-R345 PolarHBondContact O-N 2.78Å |
| 342 | V | 97.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | Y333 S338 L339 R344 R345 N346 D640 | Y333-V342 HydrophobicContact CD1-CG2 4.37Å; Y333-V342 HydrophobicContact CE1-CB 4.04Å; Y333-V342 HydrophobicContact CE1-CG1 4.2Å; Y333-V342 HydrophobicContact CE1-CG2 3.79Å; S338-V342 VanDerWaalsContact O-CG2 3.25Å; S338-V342 WeakPolarHBondContact O-CG2 3.15Å; S338-V342 PolarHBondContact O-N 3.09Å; S338-V342 VanDerWaalsContact O-N 3.11Å; L339-V342 PolarHBondContact O-N 3.06Å; V342-R344 PolarHBondContact O-N 3.04Å; V342-R345 WeakPolarHBondContact O-CG 3.38Å; V342-N346 PolarHBondContact O-N 3.17Å; V342-N346 PolarHBondContact O-ND2 3.29Å; V342-D640 HydrophobicContact CG1-CB 4.16Å |
| 343 | V | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -51.7 | 177.2 | 176 | 0 | 0 | 0 | 0 | 109.8 | L339 R345 N346 R347 Q356 Y382 L386 | L339-V343 HydrophobicContact CD1-CG2 4.37Å; L339-V343 WeakPolarHBondContact O-CG2 3.49Å; L339-V343 PolarHBondContact O-N 2.68Å; V343-R345 PolarHBondContact O-N 2.96Å; V343-N346 PolarHBondContact O-N 3.31Å; V343-R347 HydrophobicContact CG1-CG 4.2Å; V343-R347 WeakPolarHBondContact O-CG 3.44Å; V343-R347 PolarHBondContact O-N 2.84Å; V343-Q356 HydrophobicContact CG2-CG 4.28Å; V343-Q356 VanDerWaalsContact CG2-OE1 3.22Å; V343-Y382 VanDerWaalsContact CB-OH 3.3Å; V343-Y382 WeakPolarHBondContact CB-OH 3.24Å; V343-Y382 WeakPolarHBondContact CG1-OH 3.37Å; V343-L386 HydrophobicContact CG1-CD2 4Å |
| 344 | R | 97.7 | Very high | 97.6 | Very high | 157 Ų | 157 | 43 Ų | 43 | 59% | 0.592 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59 | -46.2 | -177.3 | -177.5 | 175.8 | 178 | 171.9 | 4.2 | 112.7 | T340 N341 V342 N346 R347 D348 | T340-R344 WeakPolarHBondContact O-CB 3.27Å; T340-R344 PolarHBondContact O-N 3.33Å; N341-R344 PolarHBondContact O-N 3.13Å; V342-R344 PolarHBondContact O-N 3.04Å; R344-N346 VanDerWaalsContact C-N 3.28Å; R344-N346 PolarHBondContact O-N 2.72Å; R344-R347 PolarHBondContact O-N 3.01Å; R344-D348 WeakPolarHBondContact CG-OD2 3.36Å; R344-D348 IonicContact NE-OD2 3.58Å; R344-D348 WeakPolarHBondContact O-CB 3.25Å; R344-D348 VanDerWaalsContact O-CG 3.24Å; R344-D348 PolarHBondContact O-N 3.5Å |
| 345 | R | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 179.6 | 67 | 173.7 | 173.1 | -138 | -8.7 | 112.5 | N341 V342 V343 A349 D638 D640 A642 | N341-R345 WeakPolarHBondContact O-CG 3.44Å; N341-R345 PolarHBondContact O-N 2.78Å; V342-R345 WeakPolarHBondContact O-CG 3.38Å; V343-R345 PolarHBondContact O-N 2.96Å; R345-A349 VanDerWaalsContact O-CB 3.29Å; R345-A349 WeakPolarHBondContact O-CB 3.46Å; R345-A349 PolarHBondContact O-N 3.02Å; R345-D638 IonicContact CZ-OD2 2.75Å; R345-D638 IonicContact NH1-OD2 3.2Å; R345-D638 PolarHBondContact NH1-OD2 3.14Å; R345-D638 IonicContact NH2-OD1 2.84Å; R345-D638 IonicContact NH2-OD2 2.6Å; R345-D638 PolarHBondContact NH2-OD2 3.36Å; R345-D640 IonicContact CZ-OD1 3.8Å; R345-D640 VanDerWaalsContact CZ-OD1 3.25Å; R345-D640 IonicContact CZ-OD2 2.68Å; R345-D640 IonicContact NE-OD1 2.82Å; R345-D640 PolarHBondContact NE-OD1 2.78Å; R345-D640 IonicContact NE-OD2 3.85Å; R345-D640 PolarHBondContact NE-OD2 2.86Å; R345-D640 IonicContact NH2-OD1 3.2Å; R345-D640 PolarHBondContact NH2-OD1 2.85Å; R345-D640 IonicContact NH2-OD2 2.82Å; R345-A642 HydrophobicContact CB-CB 4.27Å; R345-A642 HydrophobicContact CG-CB 3.91Å |
| 346 | N | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -41.4 | 175.2 | -77.8 | -80.7 | 0 | 0 | 0 | 111.6 | L328 V342 V343 R344 A349 G350 I351 D640 P641 A642 | L328-N346 HydrophobicContact CD1-CB 3.95Å; V342-N346 PolarHBondContact O-N 3.17Å; V342-N346 PolarHBondContact O-ND2 3.29Å; V343-N346 PolarHBondContact O-N 3.31Å; R344-N346 VanDerWaalsContact C-N 3.28Å; R344-N346 PolarHBondContact O-N 2.72Å; N346-A349 PolarHBondContact O-N 2.94Å; N346-G350 PolarHBondContact O-N 2.88Å; N346-I351 HydrophobicContact CB-CB 4.1Å; N346-I351 HydrophobicContact CB-CG1 4.35Å; N346-I351 WeakPolarHBondContact O-CB 3.4Å; N346-I351 PolarHBondContact O-N 3.32Å; N346-D640 PolarHBondContact ND2-OD2 3.19Å; N346-P641 WeakPolarHBondContact OD1-CD 3.39Å; N346-A642 HydrophobicContact CB-CB 4.35Å; N346-A642 WeakPolarHBondContact OD1-CB 3.42Å; N346-A642 PolarHBondContact OD1-N 3.41Å; N346-A642 VanDerWaalsContact OD1-N 3.12Å |
| 347 | R | 96.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 13% | 0.125 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.1 | -62.7 | -50.8 | -66.7 | 173.5 | -9.8 | 112 | V343 R344 A349 G350 I351 E390 N771 | V343-R347 HydrophobicContact CG1-CG 4.2Å; V343-R347 WeakPolarHBondContact O-CG 3.44Å; V343-R347 PolarHBondContact O-N 2.84Å; R344-R347 PolarHBondContact O-N 3.01Å; R347-A349 VanDerWaalsContact C-N 3.27Å; R347-A349 PolarHBondContact O-N 2.97Å; R347-G350 WeakPolarHBondContact O-CA 3.21Å; R347-G350 PolarHBondContact O-N 3.16Å; R347-I351 PolarHBondContact NH1-O 2.79Å; R347-E390 IonicContact CZ-OE2 2.74Å; R347-E390 IonicContact NE-OE2 3.77Å; R347-E390 PolarHBondContact NE-OE2 3.45Å; R347-E390 IonicContact NH2-OE2 3.56Å; R347-E390 PolarHBondContact NH2-OE2 3.09Å; R347-N771 PolarHBondContact NH1-O 3.42Å |
| 348 | D | 97.8 | Very high | 97.9 | Very high | 119 Ų | 119 | 28.5 Ų | 28.5 | 64% | 0.636 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -63 | -33.7 | 178.7 | -69.9 | -14.5 | 0 | 0 | 0 | 111.5 | R344 G350 | R344-D348 WeakPolarHBondContact CG-OD2 3.36Å; R344-D348 IonicContact NE-OD2 3.58Å; R344-D348 WeakPolarHBondContact O-CB 3.25Å; R344-D348 VanDerWaalsContact O-CG 3.24Å; R344-D348 PolarHBondContact O-N 3.5Å; D348-G350 PolarHBondContact O-N 2.97Å |
| 349 | A | 98.2 | Very high | 98.1 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 19% | 0.19 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R345 N346 R347 I351 A642 V649 R653 | R345-A349 VanDerWaalsContact O-CB 3.29Å; R345-A349 WeakPolarHBondContact O-CB 3.46Å; R345-A349 PolarHBondContact O-N 3.02Å; N346-A349 PolarHBondContact O-N 2.94Å; R347-A349 VanDerWaalsContact C-N 3.27Å; R347-A349 PolarHBondContact O-N 2.97Å; A349-I351 HydrophobicContact CB-CG1 4.07Å; A349-A642 HydrophobicContact CB-CB 4.02Å; A349-V649 HydrophobicContact CB-CG1 3.82Å; A349-R653 WeakPolarHBondContact O-CD 3.31Å; A349-R653 PolarHBondContact O-NH1 2.79Å |
| 350 | G | 97.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 25.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N346 R347 D348 R653 | N346-G350 PolarHBondContact O-N 2.88Å; R347-G350 WeakPolarHBondContact O-CA 3.21Å; R347-G350 PolarHBondContact O-N 3.16Å; D348-G350 PolarHBondContact O-N 2.97Å; G350-R653 VanDerWaalsContact O-CD 3.23Å; G350-R653 WeakPolarHBondContact O-CD 3.36Å; G350-R653 WeakPolarHBondContact O-CG 3.08Å |
| 351 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -71.5 | 124.5 | 174.1 | -58.1 | -65.5 | 0 | 0 | 0 | 108.2 | F326 N346 R347 A349 P641 V649 R653 L656 | F326-I351 HydrophobicContact CD1-CG2 4.28Å; F326-I351 HydrophobicContact CE1-CG2 4.17Å; N346-I351 HydrophobicContact CB-CB 4.1Å; N346-I351 HydrophobicContact CB-CG1 4.35Å; N346-I351 WeakPolarHBondContact O-CB 3.4Å; N346-I351 PolarHBondContact O-N 3.32Å; R347-I351 PolarHBondContact NH1-O 2.79Å; A349-I351 HydrophobicContact CB-CG1 4.07Å; I351-P641 HydrophobicContact CD1-CB 3.7Å; I351-P641 HydrophobicContact CG1-CB 3.91Å; I351-P641 HydrophobicContact CG2-CB 4.09Å; I351-P641 HydrophobicContact CG2-CG 4.12Å; I351-V649 HydrophobicContact CD1-CG1 4.41Å; I351-R653 HydrophobicContact CD1-CB 3.86Å; I351-L656 HydrophobicContact CG2-CD1 3.9Å | ||
| 352 | P | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -71.7 | 137.3 | 177.6 | 34.4 | -36.9 | 0 | 0 | 0 | 109.5 | F326 L656 M657 Y660 N771 | F326-P352 WeakPolarHBondContact CD1-O 3.42Å; P352-L656 HydrophobicContact CG-CB 3.53Å; P352-L656 HydrophobicContact CG-CD1 4.33Å; P352-M657 HydrophobicContact CB-CE 4.01Å; P352-M657 HydrophobicContact CG-CE 4.14Å; P352-M657 HydrophobicContact CG-SD 4.49Å; P352-Y660 HydrophobicContact CB-CD1 4.19Å; P352-Y660 HydrophobicContact CB-CD2 4.2Å; P352-Y660 HydrophobicContact CB-CE1 3.79Å; P352-Y660 HydrophobicContact CB-CE2 3.78Å; P352-Y660 HydrophobicContact CB-CG 4.35Å; P352-Y660 HydrophobicContact CG-CD2 4.1Å; P352-Y660 HydrophobicContact CG-CE2 3.77Å; P352-Y660 PolarHBondContact O-OH 3.42Å; P352-N771 VanDerWaalsContact CA-O 3.28Å; P352-N771 WeakPolarHBondContact CA-O 3.33Å | ||
| 353 | Q | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -148.2 | 139.2 | -174.8 | -177.4 | -177.6 | -0.4 | 0 | 0 | 110.4 | F326 L328 G355 I392 Y660 N771 | F326-Q353 WeakPolarHBondContact O-CA 3.22Å; L328-Q353 HydrophobicContact CG-CG 4.46Å; Q353-G355 PolarHBondContact NE2-O 2.91Å; Q353-I392 HydrophobicContact CB-CD1 4.36Å; Q353-I392 HydrophobicContact CG-CD1 4.17Å; Q353-Y660 WeakPolarHBondContact CA-OH 3.49Å; Q353-Y660 PolarHBondContact N-OH 2.95Å; Q353-N771 PolarHBondContact N-O 3.31Å | ||
| 354 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -127.1 | -28.7 | 176.7 | -73.6 | -87.7 | 0 | 0 | 0 | 113.3 | W322 G325 F326 I392 K393 Y660 T773 | W322-D354 HydrophobicContact CB-CB 4.35Å; W322-D354 WeakPolarHBondContact O-CB 3.45Å; G325-D354 WeakPolarHBondContact CA-OD2 3.5Å; F326-D354 PolarHBondContact O-N 3.26Å; D354-I392 CarbonylContact O-C 3.56Å; D354-I392 WeakPolarHBondContact O-CA 3.38Å; D354-K393 PolarHBondContact O-N 3.49Å; D354-Y660 WeakPolarHBondContact OD2-CE1 3.45Å; D354-Y660 PolarHBondContact OD2-OH 2.79Å; D354-T773 VanDerWaalsContact OD1-CB 3.26Å; D354-T773 WeakPolarHBondContact OD1-CB 3.3Å; D354-T773 WeakPolarHBondContact OD1-CG2 3.48Å; D354-T773 PolarHBondContact OD1-N 3.03Å; D354-T773 PolarHBondContact OD1-OG1 3.02Å; D354-T773 WeakPolarHBondContact OD2-CG2 3.45Å; D354-T773 PolarHBondContact OD2-N 2.94Å | ||
| 355 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F326 H327 L328 Q353 K393 | F326-G355 PolarHBondContact O-N 2.48Å; H327-G355 WeakPolarHBondContact CA-O 3.16Å; L328-G355 PolarHBondContact N-O 3.4Å; Q353-G355 PolarHBondContact NE2-O 2.91Å; G355-K393 CarbonylContact C-O 3.47Å; G355-K393 WeakPolarHBondContact CA-O 3.33Å |
| 356 | Q | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109.9 | 166.6 | -179.3 | 57.9 | 57.2 | 0 | 0 | 109.4 | L328 Y333 L339 V343 I392 K393 T394 V395 | L328-Q356 PolarHBondContact O-NE2 2.84Å; Y333-Q356 PolarHBondContact OH-NE2 2.85Å; L339-Q356 HydrophobicContact CD1-CG 4.07Å; V343-Q356 HydrophobicContact CG2-CG 4.28Å; V343-Q356 VanDerWaalsContact CG2-OE1 3.22Å; Q356-I392 HydrophobicContact CB-CG2 3.86Å; Q356-K393 PolarHBondContact N-O 3.01Å; Q356-T394 CarbonylContact O-C 3.56Å; Q356-T394 VanDerWaalsContact O-CA 3.24Å; Q356-T394 WeakPolarHBondContact O-CA 2.95Å; Q356-V395 PolarHBondContact O-N 3.24Å |
| 357 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 148.9 | 176.6 | -75 | -103.7 | 0 | 0 | 0 | 111 | H327 L328 S329 V395 W472 F552 L554 F626 R628 | H327-F357 HydrophobicContact CB-CD2 4.01Å; H327-F357 HydrophobicContact CB-CE2 3.61Å; H327-F357 AromaticContact CG-CE2 3.82Å; H327-F357 AromaticContact ND1-CE2 3.32Å; H327-F357 VanDerWaalsContact ND1-CE2 3.32Å; H327-F357 WeakPolarHBondContact ND1-CE2 3.19Å; L328-F357 PolarHBondContact O-N 2.83Å; S329-F357 VanDerWaalsContact OG-CB 3.25Å; S329-F357 WeakPolarHBondContact OG-CB 3.14Å; F357-V395 VanDerWaalsContact CA-O 3.24Å; F357-V395 WeakPolarHBondContact CA-O 3.23Å; F357-V395 HydrophobicContact CD1-CB 3.8Å; F357-V395 HydrophobicContact CD1-CG1 3.72Å; F357-V395 HydrophobicContact CD2-CB 4.48Å; F357-V395 HydrophobicContact CE1-CB 3.79Å; F357-V395 HydrophobicContact CE1-CG1 3.41Å; F357-V395 VanDerWaalsContact CE1-CG1 3.41Å; F357-V395 HydrophobicContact CE1-CG2 4.49Å; F357-V395 HydrophobicContact CE2-CB 4.47Å; F357-V395 HydrophobicContact CG-CB 4.15Å; F357-V395 HydrophobicContact CZ-CB 4.14Å; F357-V395 HydrophobicContact CZ-CG1 4.03Å; F357-V395 HydrophobicContact CZ-CG2 4.37Å; F357-W472 HydrophobicContact CD1-CB 4.17Å; F357-W472 HydrophobicContact CD1-CD2 4.29Å; F357-W472 AromaticContact CD1-CE3 3.85Å; F357-W472 HydrophobicContact CD1-CE3 3.85Å; F357-W472 HydrophobicContact CD1-CG 4.46Å; F357-W472 HydrophobicContact CE1-CB 4.08Å; F357-W472 HydrophobicContact CE1-CG 4.47Å; F357-F552 HydrophobicContact CZ-CE1 4.04Å; F357-F552 HydrophobicContact CZ-CZ 4.36Å; F357-L554 HydrophobicContact CD1-CD2 4.42Å; F357-L554 HydrophobicContact CE1-CB 4.46Å; F357-L554 HydrophobicContact CE1-CD2 3.48Å; F357-L554 VanDerWaalsContact CE1-CD2 3.48Å; F357-L554 HydrophobicContact CZ-CD2 3.91Å; F357-F626 HydrophobicContact CE2-CE2 4.32Å; F357-F626 HydrophobicContact CE2-CZ 4.18Å; F357-F626 HydrophobicContact CZ-CE2 4.01Å; F357-F626 AromaticContact CZ-CZ 3.77Å; F357-F626 HydrophobicContact CZ-CZ 3.77Å; F357-R628 HydrophobicContact CD2-CG 4.44Å; F357-R628 HydrophobicContact CE2-CG 4.4Å |
| 358 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.6 | 170.6 | -52.6 | 176 | 0 | 0 | 0 | 108.2 | L339 Y362 L379 T394 V395 P396 I397 L466 | L339-L358 HydrophobicContact CD1-CD2 4.22Å; L339-L358 HydrophobicContact CD2-CD2 3.56Å; L358-Y362 HydrophobicContact CB-CD1 3.5Å; L358-Y362 VanDerWaalsContact CB-CD1 3.5Å; L358-Y362 HydrophobicContact CB-CE1 4.08Å; L358-Y362 HydrophobicContact CB-CG 4.14Å; L358-Y362 HydrophobicContact CD1-CD1 4.37Å; L358-Y362 HydrophobicContact CD1-CG 4.31Å; L358-L379 HydrophobicContact CD1-CD1 4.3Å; L358-L379 HydrophobicContact CD1-CD2 4.08Å; L358-T394 HydrophobicContact CD1-CG2 3.51Å; L358-T394 HydrophobicContact CG-CG2 3.74Å; L358-V395 PolarHBondContact N-O 3.2Å; L358-P396 HydrophobicContact CB-CB 4.49Å; L358-I397 WeakPolarHBondContact O-CG2 3.46Å; L358-I397 PolarHBondContact O-N 3.1Å; L358-L466 HydrophobicContact CD1-CD1 4.32Å; L358-L466 HydrophobicContact CD1-CD2 4.1Å |
| 359 | D | 98 | Very high | 98 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 5% | 0.048 | 8% | 0.08 | C | C | . | . | trans | -72.8 | 174.8 | 170.5 | -148.2 | -47.1 | 0 | 0 | 0 | 111.1 | F331 D361 Y362 W472 H630 | F331-D359 WeakPolarHBondContact CA-OD2 3.23Å; F331-D359 HydrophobicContact CB-CB 4.47Å; F331-D359 VanDerWaalsContact CB-OD2 3.23Å; F331-D359 WeakPolarHBondContact CB-OD2 3.49Å; F331-D359 HydrophobicContact CD2-CB 4.37Å; D359-D361 PolarHBondContact O-N 3.5Å; D359-Y362 WeakPolarHBondContact O-CD1 3.27Å; D359-Y362 PolarHBondContact O-N 3.36Å; D359-W472 HydrophobicContact CB-CZ3 4.11Å; D359-W472 WeakPolarHBondContact OD2-CH2 3.49Å; D359-H630 IonicContact OD2-CE1 3.62Å; D359-H630 PolarHBondContact OD2-CE1 2.91Å; D359-H630 IonicContact OD2-NE2 2.76Å; D359-H630 PolarHBondContact OD2-NE2 3.45Å | ||
| 360 | I | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -55.3 | -11 | -172.3 | 63.4 | 179.8 | 0 | 0 | 0 | 114.4 | F331 Y362 M363 R366 I397 W437 | F331-I360 HydrophobicContact CD2-CG1 4.21Å; F331-I360 HydrophobicContact CE2-CD1 3.91Å; F331-I360 HydrophobicContact CE2-CG1 3.72Å; F331-I360 HydrophobicContact CZ-CD1 4.2Å; F331-I360 HydrophobicContact CZ-CG1 4.5Å; I360-Y362 VanDerWaalsContact C-N 3.26Å; I360-Y362 PolarHBondContact O-N 3.4Å; I360-M363 HydrophobicContact CB-SD 4.33Å; I360-M363 HydrophobicContact CG2-CE 4.47Å; I360-M363 HydrophobicContact CG2-SD 4.33Å; I360-M363 WeakPolarHBondContact O-CB 3.48Å; I360-M363 PolarHBondContact O-N 2.83Å; I360-R366 HydrophobicContact CB-CG 4.4Å; I360-R366 HydrophobicContact CD1-CG 4.18Å; I360-R366 HydrophobicContact CG1-CG 4.35Å; I360-I397 HydrophobicContact CB-CG2 4.41Å; I360-I397 HydrophobicContact CG2-CD1 4.03Å; I360-I397 HydrophobicContact CG2-CG2 3.64Å; I360-W437 HydrophobicContact CD1-CB 4.16Å; I360-W437 HydrophobicContact CD1-CD2 3.55Å; I360-W437 HydrophobicContact CD1-CE3 3.91Å; I360-W437 HydrophobicContact CD1-CG 3.68Å; I360-W437 HydrophobicContact CD1-CZ2 4.46Å; I360-W437 HydrophobicContact CD1-CZ3 4.49Å |
| 361 | D | 97.5 | Very high | 98 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 12% | 0.123 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -53.1 | -39.3 | 173.2 | -62 | -61.4 | 0 | 0 | 0 | 113.5 | G332 Y333 D359 M363 R375 F376 | G332-D361 WeakPolarHBondContact CA-OD2 3.48Å; G332-D361 PolarHBondContact N-OD2 3.44Å; Y333-D361 PolarHBondContact N-OD2 3.1Å; Y333-D361 WeakPolarHBondContact O-CB 3.29Å; D359-D361 PolarHBondContact O-N 3.5Å; D361-M363 PolarHBondContact O-N 2.96Å; D361-R375 VanDerWaalsContact O-CZ 3.24Å; D361-R375 PolarHBondContact O-NH1 3.17Å; D361-R375 PolarHBondContact O-NH2 3.14Å; D361-F376 HydrophobicContact CB-CE2 4.28Å; D361-F376 HydrophobicContact CB-CZ 4.03Å; D361-F376 WeakPolarHBondContact O-CE2 3.34Å |
| 362 | Y | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -70.6 | -19.8 | -174.3 | 84.3 | -91.6 | 0 | 0 | 0 | 112.8 | L358 D359 I360 T370 I371 D372 L379 P396 I397 L466 | L358-Y362 HydrophobicContact CB-CD1 3.5Å; L358-Y362 VanDerWaalsContact CB-CD1 3.5Å; L358-Y362 HydrophobicContact CB-CE1 4.08Å; L358-Y362 HydrophobicContact CB-CG 4.14Å; L358-Y362 HydrophobicContact CD1-CD1 4.37Å; L358-Y362 HydrophobicContact CD1-CG 4.31Å; D359-Y362 WeakPolarHBondContact O-CD1 3.27Å; D359-Y362 PolarHBondContact O-N 3.36Å; I360-Y362 VanDerWaalsContact C-N 3.26Å; I360-Y362 PolarHBondContact O-N 3.4Å; Y362-T370 VanDerWaalsContact CE2-O 3.26Å; Y362-T370 WeakPolarHBondContact CE2-O 3.26Å; Y362-I371 HydrophobicContact CD2-CG1 4.24Å; Y362-I371 HydrophobicContact CE2-CG1 4.31Å; Y362-I371 CarbonylContact O-C 3.54Å; Y362-I371 WeakPolarHBondContact O-CA 3.48Å; Y362-D372 PolarHBondContact O-N 2.74Å; Y362-L379 HydrophobicContact CD2-CD2 4.27Å; Y362-L379 HydrophobicContact CG-CD2 4.46Å; Y362-P396 HydrophobicContact CE1-CB 3.79Å; Y362-I397 HydrophobicContact CE1-CG2 4.18Å; Y362-I397 PolarHBondContact OH-O 3.45Å; Y362-L466 HydrophobicContact CE2-CD2 4.24Å |
| 363 | M | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -79.2 | 150.9 | -175.3 | -60.5 | 174.4 | 179.6 | 0 | 0 | 111.9 | I360 D361 D365 R375 I397 | I360-M363 HydrophobicContact CB-SD 4.33Å; I360-M363 HydrophobicContact CG2-CE 4.47Å; I360-M363 HydrophobicContact CG2-SD 4.33Å; I360-M363 WeakPolarHBondContact O-CB 3.48Å; I360-M363 PolarHBondContact O-N 2.83Å; D361-M363 PolarHBondContact O-N 2.96Å; M363-D365 PolarHBondContact O-N 3.43Å; M363-R375 PolarHBondContact O-NH2 3.13Å; M363-I397 HydrophobicContact CE-CG2 3.62Å; M363-I397 WeakPolarHBondContact CE-O 3.35Å |
| 364 | Q | 97.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 31.1 Ų | 31.1 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -73.3 | 119.7 | 168.4 | 179 | 62 | 50.3 | 0 | 0 | 108.6 | R366 M367 T370 | Q364-R366 PolarHBondContact O-N 3.08Å; Q364-M367 HydrophobicContact CB-CE 4.48Å; Q364-M367 HydrophobicContact CG-CE 4.15Å; Q364-M367 WeakPolarHBondContact O-CB 3.11Å; Q364-M367 WeakPolarHBondContact O-CE 3.45Å; Q364-M367 VanDerWaalsContact O-CG 3.32Å; Q364-M367 WeakPolarHBondContact O-CG 3.47Å; Q364-M367 PolarHBondContact O-N 3.06Å; Q364-T370 WeakPolarHBondContact CB-OG1 3.29Å; Q364-T370 PolarHBondContact N-OG1 2.76Å; Q364-T370 PolarHBondContact O-OG1 2.75Å |
| 365 | D | 96.5 | Very high | 97.8 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 32% | 0.321 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | 50.3 | 30.1 | -179.2 | -61.7 | -74.1 | 0 | 0 | 0 | 114 | M363 M367 K407 | M363-D365 PolarHBondContact O-N 3.43Å; D365-M367 HydrophobicContact CB-CE 4.28Å; D365-M367 HydrophobicContact CB-CG 4.18Å; D365-M367 PolarHBondContact O-N 3.33Å; D365-K407 IonicContact OD1-NZ 3.77Å; D365-K407 PolarHBondContact OD1-NZ 3.45Å |
| 366 | R | 97.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 36% | 0.362 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | 60.5 | 27.2 | -177.6 | -54.8 | 167 | 175.6 | 173.9 | -10.1 | 114.1 | I360 Q364 W437 P438 | I360-R366 HydrophobicContact CB-CG 4.4Å; I360-R366 HydrophobicContact CD1-CG 4.18Å; I360-R366 HydrophobicContact CG1-CG 4.35Å; Q364-R366 PolarHBondContact O-N 3.08Å; R366-W437 HydrophobicContact CB-CB 4.15Å; R366-W437 WeakPolarHBondContact CD-O 3.14Å; R366-P438 WeakPolarHBondContact O-CB 3.45Å |
| 367 | M | 98.2 | Very high | 97.7 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | trans | -94.1 | 131.1 | 179.8 | -51.2 | -172.3 | -69.9 | 0 | 0 | 110.8 | Q364 D365 T370 P403 P406 Y410 P438 | Q364-M367 HydrophobicContact CB-CE 4.48Å; Q364-M367 HydrophobicContact CG-CE 4.15Å; Q364-M367 WeakPolarHBondContact O-CB 3.11Å; Q364-M367 WeakPolarHBondContact O-CE 3.45Å; Q364-M367 VanDerWaalsContact O-CG 3.32Å; Q364-M367 WeakPolarHBondContact O-CG 3.47Å; Q364-M367 PolarHBondContact O-N 3.06Å; D365-M367 HydrophobicContact CB-CE 4.28Å; D365-M367 HydrophobicContact CB-CG 4.18Å; D365-M367 PolarHBondContact O-N 3.33Å; M367-T370 HydrophobicContact CB-CG2 4.11Å; M367-T370 HydrophobicContact CE-CG2 4.39Å; M367-T370 WeakPolarHBondContact O-CB 3.2Å; M367-T370 PolarHBondContact O-N 2.86Å; M367-T370 PolarHBondContact O-OG1 2.78Å; M367-P403 HydrophobicContact CB-CG 4.17Å; M367-P403 HydrophobicContact CG-CG 3.75Å; M367-P403 HydrophobicContact SD-CG 3.78Å; M367-P406 HydrophobicContact SD-CB 4.02Å; M367-Y410 HydrophobicContact CB-CE2 4.11Å; M367-Y410 HydrophobicContact SD-CD2 4.46Å; M367-P438 HydrophobicContact CG-CB 4.12Å | ||
| 368 | D | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 155.2 | 177.7 | -64.5 | -45.7 | 0 | 0 | 0 | 113.6 | T370 L398 D399 I402 Y410 | D368-T370 WeakPolarHBondContact O-CG2 3.37Å; D368-T370 PolarHBondContact O-N 3.42Å; D368-L398 HydrophobicContact CB-CD2 4.23Å; D368-L398 WeakPolarHBondContact OD1-CA 3.45Å; D368-D399 PolarHBondContact OD1-N 2.81Å; D368-I402 HydrophobicContact CB-CD1 4.29Å; D368-Y410 PolarHBondContact O-OH 3.43Å |
| 369 | F | 98.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17.3 | 178 | -43.9 | -68.1 | 0 | 0 | 0 | 114.7 | L398 I402 P412 W455 F458 M459 L462 | F369-L398 HydrophobicContact CD1-CD2 4.08Å; F369-L398 HydrophobicContact CE1-CD1 3.78Å; F369-L398 HydrophobicContact CE1-CD2 4.03Å; F369-L398 HydrophobicContact CZ-CD1 4.38Å; F369-I402 HydrophobicContact CE2-CD1 4.23Å; F369-P412 HydrophobicContact CB-CG 4.35Å; F369-P412 HydrophobicContact CD2-CB 4.19Å; F369-P412 HydrophobicContact CD2-CG 3.97Å; F369-W455 HydrophobicContact CE2-CE3 4.27Å; F369-W455 HydrophobicContact CE2-CH2 4.38Å; F369-W455 AromaticContact CE2-CZ3 3.97Å; F369-W455 HydrophobicContact CE2-CZ3 3.97Å; F369-W455 HydrophobicContact CZ-CD2 4.02Å; F369-W455 AromaticContact CZ-CE3 3.77Å; F369-W455 HydrophobicContact CZ-CE3 3.77Å; F369-W455 AromaticContact CZ-CH2 3.9Å; F369-W455 HydrophobicContact CZ-CH2 3.9Å; F369-W455 HydrophobicContact CZ-CZ2 4.16Å; F369-W455 AromaticContact CZ-CZ3 3.7Å; F369-W455 HydrophobicContact CZ-CZ3 3.7Å; F369-F458 HydrophobicContact CB-CB 4.32Å; F369-F458 HydrophobicContact CD1-CB 3.59Å; F369-F458 HydrophobicContact CD2-CB 3.71Å; F369-F458 HydrophobicContact CD2-CG 4.17Å; F369-F458 HydrophobicContact CE1-CB 3.7Å; F369-F458 HydrophobicContact CE2-CB 3.81Å; F369-F458 HydrophobicContact CE2-CG 4.41Å; F369-F458 HydrophobicContact CG-CB 3.6Å; F369-F458 HydrophobicContact CG-CG 4.34Å; F369-F458 HydrophobicContact CZ-CB 3.8Å; F369-M459 HydrophobicContact CE1-CG 4Å; F369-L462 HydrophobicContact CD1-CB 4.4Å; F369-L462 HydrophobicContact CD1-CD2 4.4Å |
| 370 | T | 97.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 43 Ų | 43 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | trans | -116.9 | 162.4 | 175.7 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | Y362 Q364 M367 D368 Y410 | Y362-T370 VanDerWaalsContact CE2-O 3.26Å; Y362-T370 WeakPolarHBondContact CE2-O 3.26Å; Q364-T370 WeakPolarHBondContact CB-OG1 3.29Å; Q364-T370 PolarHBondContact N-OG1 2.76Å; Q364-T370 PolarHBondContact O-OG1 2.75Å; M367-T370 HydrophobicContact CB-CG2 4.11Å; M367-T370 HydrophobicContact CE-CG2 4.39Å; M367-T370 WeakPolarHBondContact O-CB 3.2Å; M367-T370 PolarHBondContact O-N 2.86Å; M367-T370 PolarHBondContact O-OG1 2.78Å; D368-T370 WeakPolarHBondContact O-CG2 3.37Å; D368-T370 PolarHBondContact O-N 3.42Å; T370-Y410 HydrophobicContact CG2-CD2 4.31Å; T370-Y410 HydrophobicContact CG2-CE2 3.77Å | ||
| 371 | I | 97.7 | Very high | 97.4 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | trans | -132.4 | 129.1 | 172 | -57.3 | 173.3 | 0 | 0 | 0 | 106.8 | Y362 T373 F376 L379 L462 K465 L466 | Y362-I371 HydrophobicContact CD2-CG1 4.24Å; Y362-I371 HydrophobicContact CE2-CG1 4.31Å; Y362-I371 CarbonylContact O-C 3.54Å; Y362-I371 WeakPolarHBondContact O-CA 3.48Å; I371-T373 PolarHBondContact O-N 3.45Å; I371-F376 HydrophobicContact CG2-CB 4.31Å; I371-L379 HydrophobicContact CG2-CD2 4.07Å; I371-L462 HydrophobicContact CD1-CD1 4.49Å; I371-L462 HydrophobicContact CG1-CD1 4.36Å; I371-K465 HydrophobicContact CD1-CB 4.02Å; I371-L466 HydrophobicContact CD1-CB 4.12Å | ||
| 372 | D | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | trans | -69.2 | 100.3 | 173.2 | -176.2 | -40.6 | 0 | 0 | 0 | 109.5 | Y362 K374 R375 F376 | Y362-D372 PolarHBondContact O-N 2.74Å; D372-K374 PolarHBondContact O-N 2.86Å; D372-K374 VanDerWaalsContact O-N 3.1Å; D372-K374 WeakPolarHBondContact OD1-CA 3.4Å; D372-K374 WeakPolarHBondContact OD1-CB 3.37Å; D372-K374 PolarHBondContact OD1-N 2.83Å; D372-R375 PolarHBondContact OD1-N 2.89Å; D372-R375 IonicContact OD2-CZ 3.1Å; D372-R375 IonicContact OD2-NE 3.02Å; D372-R375 PolarHBondContact OD2-NE 2.8Å; D372-R375 IonicContact OD2-NH2 2.62Å; D372-R375 PolarHBondContact OD2-NH2 3.42Å; D372-F376 HydrophobicContact CB-CD2 4.36Å; D372-F376 CarbonylContact O-C 3.51Å; D372-F376 WeakPolarHBondContact O-CA 3.27Å; D372-F376 WeakPolarHBondContact O-CB 3.38Å; D372-F376 PolarHBondContact O-N 2.88Å | ||
| 373 | T | 95.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -0.6 | -175.4 | 64 | 0 | 0 | 0 | 0 | 113.8 | I371 A377 | I371-T373 PolarHBondContact O-N 3.45Å; T373-A377 WeakPolarHBondContact O-CB 3.18Å |
| 374 | K | 97.5 | Very high | 97.3 | Very high | 184 Ų | 184 | 52.5 Ų | 52.5 | 80% | 0.8 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -55.7 | 174.5 | -66.1 | -179.8 | -179.2 | 174.8 | 0 | 110.8 | D372 | D372-K374 PolarHBondContact O-N 2.86Å; D372-K374 VanDerWaalsContact O-N 3.1Å; D372-K374 WeakPolarHBondContact OD1-CA 3.4Å; D372-K374 WeakPolarHBondContact OD1-CB 3.37Å; D372-K374 PolarHBondContact OD1-N 2.83Å |
| 375 | R | 98.2 | Very high | 97.3 | Very high | 90 Ų | 90 | 54 Ų | 54 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -30.2 | -179.2 | -67.4 | -177.2 | -63.3 | 119.4 | 7.1 | 111.9 | N335 L336 D361 M363 D372 | N335-R375 WeakPolarHBondContact CA-O 3.26Å; N335-R375 HydrophobicContact CB-CB 4.22Å; N335-R375 WeakPolarHBondContact CB-O 3.44Å; L336-R375 PolarHBondContact N-O 3.34Å; D361-R375 VanDerWaalsContact O-CZ 3.24Å; D361-R375 PolarHBondContact O-NH1 3.17Å; D361-R375 PolarHBondContact O-NH2 3.14Å; M363-R375 PolarHBondContact O-NH2 3.13Å; D372-R375 PolarHBondContact OD1-N 2.89Å; D372-R375 IonicContact OD2-CZ 3.1Å; D372-R375 IonicContact OD2-NE 3.02Å; D372-R375 PolarHBondContact OD2-NE 2.8Å; D372-R375 IonicContact OD2-NH2 2.62Å; D372-R375 PolarHBondContact OD2-NH2 3.42Å |
| 376 | F | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 31.4 | -177 | -69.6 | -93.7 | 0 | 0 | 0 | 112.6 | Y333 L336 D361 I371 D372 G378 L379 | Y333-F376 WeakPolarHBondContact O-CZ 3.42Å; L336-F376 HydrophobicContact CB-CD1 4.26Å; D361-F376 HydrophobicContact CB-CE2 4.28Å; D361-F376 HydrophobicContact CB-CZ 4.03Å; D361-F376 WeakPolarHBondContact O-CE2 3.34Å; I371-F376 HydrophobicContact CG2-CB 4.31Å; D372-F376 HydrophobicContact CB-CD2 4.36Å; D372-F376 CarbonylContact O-C 3.51Å; D372-F376 WeakPolarHBondContact O-CA 3.27Å; D372-F376 WeakPolarHBondContact O-CB 3.38Å; D372-F376 PolarHBondContact O-N 2.88Å; F376-G378 PolarHBondContact O-N 3.11Å; F376-G378 VanDerWaalsContact O-N 3.15Å; F376-L379 HydrophobicContact CB-CB 4.09Å; F376-L379 HydrophobicContact CB-CD2 4.15Å; F376-L379 HydrophobicContact CD1-CD1 4.34Å; F376-L379 HydrophobicContact CD1-CD2 4.14Å; F376-L379 HydrophobicContact CG-CD2 4.46Å; F376-L379 VanDerWaalsContact O-CB 3.24Å; F376-L379 WeakPolarHBondContact O-CB 3.12Å; F376-L379 PolarHBondContact O-N 3.47Å |
| 377 | A | 97.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 51% | 0.512 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 118.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | L336 T373 | L336-A377 WeakPolarHBondContact CD2-O 3.49Å; T373-A377 WeakPolarHBondContact O-CB 3.18Å |
| 378 | G | 96.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 8.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F376 D380 K381 Y382 | F376-G378 PolarHBondContact O-N 3.11Å; F376-G378 VanDerWaalsContact O-N 3.15Å; G378-D380 VanDerWaalsContact C-N 3.25Å; G378-D380 VanDerWaalsContact C-OD1 3.22Å; G378-D380 VanDerWaalsContact CA-OD1 3.31Å; G378-D380 WeakPolarHBondContact CA-OD1 3.32Å; G378-D380 PolarHBondContact O-N 2.68Å; G378-K381 PolarHBondContact O-N 3.36Å; G378-Y382 PolarHBondContact O-N 2.81Å |
| 379 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 176.3 | 176.9 | 64.9 | 0 | 0 | 0 | 112.3 | L336 L339 L358 Y362 I371 F376 K381 Y382 V383 L466 | L336-L379 HydrophobicContact CD1-CB 4.45Å; L336-L379 HydrophobicContact CD1-CD1 3.89Å; L339-L379 HydrophobicContact CD2-CD1 3.98Å; L358-L379 HydrophobicContact CD1-CD1 4.3Å; L358-L379 HydrophobicContact CD1-CD2 4.08Å; Y362-L379 HydrophobicContact CD2-CD2 4.27Å; Y362-L379 HydrophobicContact CG-CD2 4.46Å; I371-L379 HydrophobicContact CG2-CD2 4.07Å; F376-L379 HydrophobicContact CB-CB 4.09Å; F376-L379 HydrophobicContact CB-CD2 4.15Å; F376-L379 HydrophobicContact CD1-CD1 4.34Å; F376-L379 HydrophobicContact CD1-CD2 4.14Å; F376-L379 HydrophobicContact CG-CD2 4.46Å; F376-L379 VanDerWaalsContact O-CB 3.24Å; F376-L379 WeakPolarHBondContact O-CB 3.12Å; F376-L379 PolarHBondContact O-N 3.47Å; L379-K381 PolarHBondContact O-N 3.43Å; L379-Y382 PolarHBondContact O-N 2.61Å; L379-V383 HydrophobicContact CD1-CG2 3.97Å; L379-V383 HydrophobicContact CG-CG2 4.34Å; L379-V383 WeakPolarHBondContact O-CB 3.43Å; L379-V383 WeakPolarHBondContact O-CG2 3.48Å; L379-V383 PolarHBondContact O-N 2.85Å; L379-L466 HydrophobicContact CD2-CD1 4.13Å; L379-L466 HydrophobicContact CG-CD1 3.98Å |
| 380 | D | 95.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.6 | -51.6 | 174 | 62.5 | -36.6 | 0 | 0 | 0 | 112.1 | G378 V383 A384 K465 | G378-D380 VanDerWaalsContact C-N 3.25Å; G378-D380 VanDerWaalsContact C-OD1 3.22Å; G378-D380 VanDerWaalsContact CA-OD1 3.31Å; G378-D380 WeakPolarHBondContact CA-OD1 3.32Å; G378-D380 PolarHBondContact O-N 2.68Å; D380-V383 PolarHBondContact O-N 2.72Å; D380-A384 WeakPolarHBondContact O-CB 3.47Å; D380-A384 PolarHBondContact O-N 2.87Å; D380-K465 WeakPolarHBondContact CB-O 3.27Å |
| 381 | K | 96.5 | Very high | 96.5 | Very high | 153 Ų | 153 | 65.8 Ų | 65.8 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 179.3 | -65.6 | 177.1 | -174.9 | 175 | 0 | 111.3 | G378 L379 Q385 | G378-K381 PolarHBondContact O-N 3.36Å; L379-K381 PolarHBondContact O-N 3.43Å; K381-Q385 VanDerWaalsContact O-CB 3.27Å; K381-Q385 WeakPolarHBondContact O-CB 3.47Å; K381-Q385 PolarHBondContact O-N 3.34Å |
| 382 | Y | 97.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 64.2 Ų | 64.2 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 179 | 179.1 | -115.8 | 0 | 0 | 0 | 111.9 | L336 L339 T340 V343 G378 L379 Q385 L386 | L336-Y382 HydrophobicContact CD1-CD1 3.67Å; L336-Y382 HydrophobicContact CD1-CE1 4.4Å; L336-Y382 HydrophobicContact CD1-CG 3.96Å; L339-Y382 HydrophobicContact CD2-CD1 4.39Å; L339-Y382 HydrophobicContact CD2-CE1 4.15Å; L339-Y382 HydrophobicContact CG-CE1 4.23Å; T340-Y382 HydrophobicContact CG2-CE2 3.78Å; V343-Y382 VanDerWaalsContact CB-OH 3.3Å; V343-Y382 WeakPolarHBondContact CB-OH 3.24Å; V343-Y382 WeakPolarHBondContact CG1-OH 3.37Å; G378-Y382 PolarHBondContact O-N 2.81Å; L379-Y382 PolarHBondContact O-N 2.61Å; Y382-Q385 WeakPolarHBondContact O-CB 3.26Å; Y382-Q385 PolarHBondContact O-N 2.96Å; Y382-L386 HydrophobicContact CD1-CD1 4.02Å; Y382-L386 HydrophobicContact CD1-CG 4.39Å; Y382-L386 HydrophobicContact CD2-CG 4.41Å; Y382-L386 HydrophobicContact CE1-CD1 3.41Å; Y382-L386 VanDerWaalsContact CE1-CD1 3.41Å; Y382-L386 HydrophobicContact CE1-CG 3.95Å; Y382-L386 HydrophobicContact CE2-CD1 4.31Å; Y382-L386 HydrophobicContact CE2-CD2 4.05Å; Y382-L386 HydrophobicContact CE2-CG 3.94Å; Y382-L386 WeakPolarHBondContact O-CG 3.38Å; Y382-L386 PolarHBondContact O-N 3.15Å |
| 383 | V | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.5 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | L379 D380 Q385 L386 E387 T394 L466 P467 | L379-V383 HydrophobicContact CD1-CG2 3.97Å; L379-V383 HydrophobicContact CG-CG2 4.34Å; L379-V383 WeakPolarHBondContact O-CB 3.43Å; L379-V383 WeakPolarHBondContact O-CG2 3.48Å; L379-V383 PolarHBondContact O-N 2.85Å; D380-V383 PolarHBondContact O-N 2.72Å; V383-Q385 VanDerWaalsContact C-N 3.26Å; V383-Q385 PolarHBondContact O-N 3.46Å; V383-L386 PolarHBondContact O-N 2.82Å; V383-E387 PolarHBondContact O-N 2.99Å; V383-T394 HydrophobicContact CG1-CG2 4.31Å; V383-T394 WeakPolarHBondContact CG1-OG1 3.37Å; V383-T394 HydrophobicContact CG2-CG2 4Å; V383-L466 HydrophobicContact CB-CD1 4.07Å; V383-L466 HydrophobicContact CG1-CD1 4.24Å; V383-L466 HydrophobicContact CG2-CD1 3.65Å; V383-P467 HydrophobicContact CG1-CG 4.09Å |
| 384 | A | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D380 K388 P467 | D380-A384 WeakPolarHBondContact O-CB 3.47Å; D380-A384 PolarHBondContact O-N 2.87Å; A384-K388 VanDerWaalsContact O-CB 3.23Å; A384-K388 WeakPolarHBondContact O-CB 3.37Å; A384-K388 PolarHBondContact O-N 2.8Å; A384-P467 HydrophobicContact CB-CG 4.34Å |
| 385 | Q | 96.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 175 | -175.2 | -176.4 | -11 | 0 | 0 | 111.5 | K381 Y382 V383 E387 K388 E389 | K381-Q385 VanDerWaalsContact O-CB 3.27Å; K381-Q385 WeakPolarHBondContact O-CB 3.47Å; K381-Q385 PolarHBondContact O-N 3.34Å; Y382-Q385 WeakPolarHBondContact O-CB 3.26Å; Y382-Q385 PolarHBondContact O-N 2.96Å; V383-Q385 VanDerWaalsContact C-N 3.26Å; V383-Q385 PolarHBondContact O-N 3.46Å; Q385-E387 VanDerWaalsContact C-N 3.31Å; Q385-E387 PolarHBondContact O-N 3.07Å; Q385-K388 PolarHBondContact O-N 2.6Å; Q385-E389 HydrophobicContact CG-CG 4.08Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.44Å; Q385-E389 VanDerWaalsContact CG-OE2 3.27Å; Q385-E389 WeakPolarHBondContact CG-OE2 3.41Å; Q385-E389 PolarHBondContact NE2-OE1 2.76Å; Q385-E389 PolarHBondContact NE2-OE2 2.61Å; Q385-E389 WeakPolarHBondContact O-CB 3.46Å; Q385-E389 WeakPolarHBondContact O-CG 3.49Å; Q385-E389 PolarHBondContact O-N 3Å |
| 386 | L | 95.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -44.6 | 177.2 | -79.1 | -177 | 0 | 0 | 0 | 112 | V343 Y382 V383 E390 N391 I392 | V343-L386 HydrophobicContact CG1-CD2 4Å; Y382-L386 HydrophobicContact CD1-CD1 4.02Å; Y382-L386 HydrophobicContact CD1-CG 4.39Å; Y382-L386 HydrophobicContact CD2-CG 4.41Å; Y382-L386 HydrophobicContact CE1-CD1 3.41Å; Y382-L386 VanDerWaalsContact CE1-CD1 3.41Å; Y382-L386 HydrophobicContact CE1-CG 3.95Å; Y382-L386 HydrophobicContact CE2-CD1 4.31Å; Y382-L386 HydrophobicContact CE2-CD2 4.05Å; Y382-L386 HydrophobicContact CE2-CG 3.94Å; Y382-L386 WeakPolarHBondContact O-CG 3.38Å; Y382-L386 PolarHBondContact O-N 3.15Å; V383-L386 PolarHBondContact O-N 2.82Å; L386-E390 CarbonylContact O-C 3.57Å; L386-E390 WeakPolarHBondContact O-CA 3.39Å; L386-E390 WeakPolarHBondContact O-CB 3.41Å; L386-E390 PolarHBondContact O-N 3.48Å; L386-N391 PolarHBondContact O-N 3.43Å; L386-N391 VanDerWaalsContact O-N 3.14Å; L386-I392 PolarHBondContact O-N 2.94Å |
| 387 | E | 95.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 46 Ų | 46 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66 | -45.1 | 177.2 | -178.2 | 168.2 | -155.4 | 0 | 0 | 111.3 | V383 Q385 N391 K393 | V383-E387 PolarHBondContact O-N 2.99Å; Q385-E387 VanDerWaalsContact C-N 3.31Å; Q385-E387 PolarHBondContact O-N 3.07Å; E387-N391 WeakPolarHBondContact O-CA 3.4Å; E387-N391 PolarHBondContact O-N 3.36Å; E387-K393 IonicContact OE1-NZ 3.7Å; E387-K393 PolarHBondContact OE1-NZ 3.34Å |
| 388 | K | 95.5 | Very high | 96.8 | Very high | 182 Ų | 182 | 43 Ų | 43 | 79% | 0.791 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.8 | -42 | -176.5 | -177.2 | -177.9 | 176.4 | -173.1 | 0 | 113.4 | A384 Q385 | A384-K388 VanDerWaalsContact O-CB 3.23Å; A384-K388 WeakPolarHBondContact O-CB 3.37Å; A384-K388 PolarHBondContact O-N 2.8Å; Q385-K388 PolarHBondContact O-N 2.6Å |
| 389 | E | 93.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 41.6 Ų | 41.6 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -90 | -37.7 | -171.5 | -65.3 | 180 | 176.5 | 0 | 0 | 112.1 | Q385 | Q385-E389 HydrophobicContact CG-CG 4.08Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.44Å; Q385-E389 VanDerWaalsContact CG-OE2 3.27Å; Q385-E389 WeakPolarHBondContact CG-OE2 3.41Å; Q385-E389 PolarHBondContact NE2-OE1 2.76Å; Q385-E389 PolarHBondContact NE2-OE2 2.61Å; Q385-E389 WeakPolarHBondContact O-CB 3.46Å; Q385-E389 WeakPolarHBondContact O-CG 3.49Å; Q385-E389 PolarHBondContact O-N 3Å |
| 390 | E | 92.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -117.7 | -11.7 | -171.3 | -59 | -67.7 | 165.3 | 0 | 0 | 113.2 | R347 L386 I392 | R347-E390 IonicContact CZ-OE2 2.74Å; R347-E390 IonicContact NE-OE2 3.77Å; R347-E390 PolarHBondContact NE-OE2 3.45Å; R347-E390 IonicContact NH2-OE2 3.56Å; R347-E390 PolarHBondContact NH2-OE2 3.09Å; L386-E390 CarbonylContact O-C 3.57Å; L386-E390 WeakPolarHBondContact O-CA 3.39Å; L386-E390 WeakPolarHBondContact O-CB 3.41Å; L386-E390 PolarHBondContact O-N 3.48Å; E390-I392 HydrophobicContact CB-CD1 3.86Å; E390-I392 HydrophobicContact CB-CG1 3.87Å; E390-I392 PolarHBondContact O-N 3.5Å |
| 391 | N | 95.3 | Very high | 96.9 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | trans | 56.2 | 33.4 | -170.5 | -162.2 | 72.7 | 0 | 0 | 0 | 113.5 | L386 E387 K393 F774 | L386-N391 PolarHBondContact O-N 3.43Å; L386-N391 VanDerWaalsContact O-N 3.14Å; E387-N391 WeakPolarHBondContact O-CA 3.4Å; E387-N391 PolarHBondContact O-N 3.36Å; N391-K393 PolarHBondContact OD1-NZ 2.95Å; N391-F774 HydrophobicContact CB-CB 3.79Å; N391-F774 HydrophobicContact CB-CD1 4Å; N391-F774 HydrophobicContact CB-CD2 4.41Å; N391-F774 HydrophobicContact CB-CG 3.82Å; N391-F774 WeakPolarHBondContact ND2-CB 3.37Å | ||
| 392 | I | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 127.7 | 172.8 | -64.3 | 172.4 | 0 | 0 | 0 | 108.4 | Q353 D354 Q356 L386 E390 | Q353-I392 HydrophobicContact CB-CD1 4.36Å; Q353-I392 HydrophobicContact CG-CD1 4.17Å; D354-I392 CarbonylContact O-C 3.56Å; D354-I392 WeakPolarHBondContact O-CA 3.38Å; Q356-I392 HydrophobicContact CB-CG2 3.86Å; L386-I392 PolarHBondContact O-N 2.94Å; E390-I392 HydrophobicContact CB-CD1 3.86Å; E390-I392 HydrophobicContact CB-CG1 3.87Å; E390-I392 PolarHBondContact O-N 3.5Å |
| 393 | K | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.1 | 178 | -56.3 | -47.7 | -178.3 | -164.5 | 0 | 110.2 | W322 D354 G355 Q356 E387 N391 | W322-K393 HydrophobicContact CB-CG 4.48Å; W322-K393 HydrophobicContact CD2-CB 3.92Å; W322-K393 HydrophobicContact CD2-CG 3.49Å; W322-K393 VanDerWaalsContact CD2-CG 3.49Å; W322-K393 HydrophobicContact CE3-CB 3.79Å; W322-K393 HydrophobicContact CE3-CG 3.86Å; W322-K393 HydrophobicContact CG-CG 3.75Å; W322-K393 HydrophobicContact CH2-CB 4Å; W322-K393 HydrophobicContact CZ2-CB 4.12Å; W322-K393 HydrophobicContact CZ2-CG 4.19Å; W322-K393 HydrophobicContact CZ3-CB 3.82Å; W322-K393 HydrophobicContact CZ3-CG 4.35Å; D354-K393 PolarHBondContact O-N 3.49Å; G355-K393 CarbonylContact C-O 3.47Å; G355-K393 WeakPolarHBondContact CA-O 3.33Å; Q356-K393 PolarHBondContact N-O 3.01Å; E387-K393 IonicContact OE1-NZ 3.7Å; E387-K393 PolarHBondContact OE1-NZ 3.34Å; N391-K393 PolarHBondContact OD1-NZ 2.95Å |
| 394 | T | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.3 | 173.4 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | Q356 L358 V383 Y468 G469 | Q356-T394 CarbonylContact O-C 3.56Å; Q356-T394 VanDerWaalsContact O-CA 3.24Å; Q356-T394 WeakPolarHBondContact O-CA 2.95Å; L358-T394 HydrophobicContact CD1-CG2 3.51Å; L358-T394 HydrophobicContact CG-CG2 3.74Å; V383-T394 HydrophobicContact CG1-CG2 4.31Å; V383-T394 WeakPolarHBondContact CG1-OG1 3.37Å; V383-T394 HydrophobicContact CG2-CG2 4Å; T394-Y468 CarbonylContact O-C 3.59Å; T394-Y468 WeakPolarHBondContact O-CA 3.16Å; T394-Y468 WeakPolarHBondContact O-CB 3.25Å; T394-G469 PolarHBondContact O-N 3.14Å |
| 395 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 93.5 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | W322 Q356 F357 L358 W472 F552 | W322-V395 HydrophobicContact CH2-CG2 3.85Å; W322-V395 HydrophobicContact CZ3-CG2 4.13Å; Q356-V395 PolarHBondContact O-N 3.24Å; F357-V395 VanDerWaalsContact CA-O 3.24Å; F357-V395 WeakPolarHBondContact CA-O 3.23Å; F357-V395 HydrophobicContact CD1-CB 3.8Å; F357-V395 HydrophobicContact CD1-CG1 3.72Å; F357-V395 HydrophobicContact CD2-CB 4.48Å; F357-V395 HydrophobicContact CE1-CB 3.79Å; F357-V395 HydrophobicContact CE1-CG1 3.41Å; F357-V395 VanDerWaalsContact CE1-CG1 3.41Å; F357-V395 HydrophobicContact CE1-CG2 4.49Å; F357-V395 HydrophobicContact CE2-CB 4.47Å; F357-V395 HydrophobicContact CG-CB 4.15Å; F357-V395 HydrophobicContact CZ-CB 4.14Å; F357-V395 HydrophobicContact CZ-CG1 4.03Å; F357-V395 HydrophobicContact CZ-CG2 4.37Å; L358-V395 PolarHBondContact N-O 3.2Å; V395-W472 HydrophobicContact CG1-CB 4.05Å; V395-F552 HydrophobicContact CG1-CD1 4.42Å; V395-F552 HydrophobicContact CG1-CE1 4.32Å; V395-F552 HydrophobicContact CG2-CD1 4.28Å; V395-F552 HydrophobicContact CG2-CE1 4.26Å |
| 396 | P | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147 | 175.7 | 30.3 | -33.5 | 0 | 0 | 0 | 111.4 | L358 Y362 L466 Y468 G470 I471 W472 | L358-P396 HydrophobicContact CB-CB 4.49Å; Y362-P396 HydrophobicContact CE1-CB 3.79Å; P396-L466 HydrophobicContact CB-CD2 4Å; P396-L466 HydrophobicContact CG-CD2 4.01Å; P396-Y468 HydrophobicContact CG-CD1 3.9Å; P396-Y468 HydrophobicContact CG-CG 3.95Å; P396-G470 WeakPolarHBondContact CD-O 3.22Å; P396-I471 HydrophobicContact CG-CD1 3.93Å; P396-W472 PolarHBondContact O-N 3.48Å |
| 397 | I | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 147.6 | 165.3 | -160.1 | 176 | 0 | 0 | 0 | 110.6 | L358 I360 Y362 M363 W472 D474 | L358-I397 WeakPolarHBondContact O-CG2 3.46Å; L358-I397 PolarHBondContact O-N 3.1Å; I360-I397 HydrophobicContact CB-CG2 4.41Å; I360-I397 HydrophobicContact CG2-CD1 4.03Å; I360-I397 HydrophobicContact CG2-CG2 3.64Å; Y362-I397 HydrophobicContact CE1-CG2 4.18Å; Y362-I397 PolarHBondContact OH-O 3.45Å; M363-I397 HydrophobicContact CE-CG2 3.62Å; M363-I397 WeakPolarHBondContact CE-O 3.35Å; I397-W472 CarbonylContact C-O 3.3Å; I397-W472 VanDerWaalsContact CA-O 3.23Å; I397-W472 WeakPolarHBondContact CA-O 3.4Å; I397-W472 HydrophobicContact CB-CB 4.49Å; I397-W472 HydrophobicContact CB-CD2 3.82Å; I397-W472 HydrophobicContact CB-CE3 3.52Å; I397-W472 HydrophobicContact CB-CG 4.28Å; I397-W472 HydrophobicContact CB-CZ3 3.98Å; I397-W472 HydrophobicContact CD1-CD2 3.83Å; I397-W472 HydrophobicContact CD1-CE3 3.9Å; I397-W472 HydrophobicContact CD1-CH2 3.6Å; I397-W472 HydrophobicContact CD1-CZ2 3.5Å; I397-W472 HydrophobicContact CD1-CZ3 3.79Å; I397-W472 HydrophobicContact CG1-CD2 3.57Å; I397-W472 HydrophobicContact CG1-CE3 3.76Å; I397-W472 HydrophobicContact CG1-CG 3.95Å; I397-W472 HydrophobicContact CG1-CH2 4.38Å; I397-W472 HydrophobicContact CG1-CZ2 4.22Å; I397-W472 HydrophobicContact CG1-CZ3 4.16Å; I397-D474 HydrophobicContact CD1-CB 3.61Å; I397-D474 HydrophobicContact CG1-CB 3.93Å |
| 398 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.4 | 162.3 | -64.8 | 177.7 | 0 | 0 | 0 | 106.9 | D368 F369 W455 M459 L462 I471 W472 I473 D474 | D368-L398 HydrophobicContact CB-CD2 4.23Å; D368-L398 WeakPolarHBondContact OD1-CA 3.45Å; F369-L398 HydrophobicContact CD1-CD2 4.08Å; F369-L398 HydrophobicContact CE1-CD1 3.78Å; F369-L398 HydrophobicContact CE1-CD2 4.03Å; F369-L398 HydrophobicContact CZ-CD1 4.38Å; L398-W455 HydrophobicContact CB-CZ2 4.25Å; L398-W455 HydrophobicContact CD1-CZ2 4.16Å; L398-M459 HydrophobicContact CD1-CG 4.21Å; L398-L462 HydrophobicContact CD2-CD2 3.99Å; L398-I471 HydrophobicContact CB-CG2 4.47Å; L398-I471 HydrophobicContact CD1-CD1 3.99Å; L398-I471 HydrophobicContact CD1-CG2 3.96Å; L398-I471 HydrophobicContact CG-CD1 4.43Å; L398-I471 HydrophobicContact CG-CG2 4.26Å; L398-W472 PolarHBondContact N-O 3.4Å; L398-I473 WeakPolarHBondContact O-CA 3.46Å; L398-D474 PolarHBondContact O-N 3.41Å; L398-D474 VanDerWaalsContact O-N 3.13Å |
| 399 | D | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 161.4 | 172.4 | -72.8 | -27 | 0 | 0 | 0 | 109.7 | D368 G401 W437 D474 M475 | D368-D399 PolarHBondContact OD1-N 2.81Å; D399-G401 PolarHBondContact O-N 2.81Å; D399-W437 VanDerWaalsContact OD2-CD1 3.23Å; D399-D474 WeakPolarHBondContact CA-O 3.36Å; D399-M475 HydrophobicContact CB-CB 4.4Å; D399-M475 HydrophobicContact CB-CG 4.46Å |
| 400 | S | 95.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -74.8 | -7.8 | 176.9 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | P444 D474 M475 E534 | S400-P444 WeakPolarHBondContact O-CD 3.38Å; S400-D474 PolarHBondContact N-O 2.88Å; S400-M475 PolarHBondContact OG-O 2.72Å; S400-E534 WeakPolarHBondContact CB-OE2 3.41Å |
| 401 | G | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -107 | 120.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D399 | D399-G401 PolarHBondContact O-N 2.81Š| ||
| 402 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.9 | 176.8 | -53 | -56 | 0 | 0 | 0 | 111.7 | D368 F369 S404 Y410 P412 L413 F422 T441 Y442 P444 W455 | D368-I402 HydrophobicContact CB-CD1 4.29Å; F369-I402 HydrophobicContact CE2-CD1 4.23Å; I402-S404 PolarHBondContact O-N 2.62Å; I402-Y410 HydrophobicContact CG2-CD1 4.48Å; I402-Y410 HydrophobicContact CG2-CE1 3.68Å; I402-P412 HydrophobicContact CG2-CB 4.35Å; I402-L413 HydrophobicContact CG2-CB 4.26Å; I402-F422 HydrophobicContact CB-CE1 3.82Å; I402-F422 HydrophobicContact CB-CZ 4.08Å; I402-F422 HydrophobicContact CG1-CE1 3.91Å; I402-F422 HydrophobicContact CG1-CZ 4.4Å; I402-F422 HydrophobicContact CG2-CE1 4.23Å; I402-F422 HydrophobicContact CG2-CZ 3.96Å; I402-T441 VanDerWaalsContact N-CG2 3.31Å; I402-T441 WeakPolarHBondContact O-CA 3.15Å; I402-T441 WeakPolarHBondContact O-CG2 2.98Å; I402-Y442 PolarHBondContact N-O 2.97Å; I402-Y442 PolarHBondContact O-N 3.48Å; I402-P444 HydrophobicContact CG1-CG 3.95Å; I402-W455 HydrophobicContact CD1-CZ3 4.49Å |
| 403 | P | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 132.7 | -177.6 | 23.2 | -35.6 | 0 | 0 | 0 | 112.6 | M367 Y410 L413 P438 I440 | M367-P403 HydrophobicContact CB-CG 4.17Å; M367-P403 HydrophobicContact CG-CG 3.75Å; M367-P403 HydrophobicContact SD-CG 3.78Å; P403-Y410 HydrophobicContact CG-CD1 3.96Å; P403-Y410 HydrophobicContact CG-CE1 3.57Å; P403-L413 WeakPolarHBondContact O-CD2 3.43Å; P403-P438 HydrophobicContact CB-CB 4.02Å; P403-P438 HydrophobicContact CB-CG 4.3Å; P403-P438 HydrophobicContact CG-CB 4.11Å; P403-P438 HydrophobicContact CG-CG 4.4Å; P403-I440 CarbonylContact C-O 3.3Å; P403-I440 WeakPolarHBondContact CA-O 3.2Å |
| 404 | S | 98 | Very high | 97.7 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -87.2 | -20.7 | 179.4 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | I402 P406 L413 E433 I440 Y442 | I402-S404 PolarHBondContact O-N 2.62Å; S404-P406 WeakPolarHBondContact O-CD 3.23Å; S404-L413 WeakPolarHBondContact O-CD2 3.42Å; S404-E433 PolarHBondContact OG-OE1 3.15Å; S404-I440 PolarHBondContact N-O 2.83Å; S404-I440 VanDerWaalsContact OG-C 3.31Å; S404-I440 WeakPolarHBondContact OG-CG2 3.42Å; S404-I440 PolarHBondContact OG-O 3.07Å; S404-Y442 VanDerWaalsContact CB-CE2 3.41Å |
| 405 | R | 96.5 | Very high | 97.7 | Very high | 154 Ų | 154 | 38.7 Ų | 38.7 | 58% | 0.581 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -127.3 | 57.3 | -176.7 | -57.2 | 178.2 | -166.7 | -170.7 | 1.6 | 111.8 | E433 | R405-E433 IonicContact CZ-OE1 2.8Å; R405-E433 IonicContact CZ-OE2 3.55Å; R405-E433 IonicContact NE-OE1 2.81Å; R405-E433 PolarHBondContact NE-OE1 2.66Å; R405-E433 VanDerWaalsContact NH2-CD 3.29Å; R405-E433 IonicContact NH2-OE1 3.59Å; R405-E433 PolarHBondContact NH2-OE1 3.29Å; R405-E433 IonicContact NH2-OE2 3.36Å; R405-E433 PolarHBondContact NH2-OE2 3.3Å |
| 406 | P | 96.9 | Very high | 97.7 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | trans | -65.7 | 152.8 | 179.7 | 31.5 | -37.3 | 0 | 0 | 0 | 111 | M367 S404 A408 Y410 L413 | M367-P406 HydrophobicContact SD-CB 4.02Å; S404-P406 WeakPolarHBondContact O-CD 3.23Å; P406-A408 WeakPolarHBondContact CB-O 3.21Å; P406-A408 WeakPolarHBondContact CG-O 3.23Å; P406-A408 PolarHBondContact O-N 2.96Å; P406-Y410 HydrophobicContact CB-CD1 4.46Å; P406-Y410 HydrophobicContact CB-CG 4.4Å; P406-Y410 HydrophobicContact CG-CD1 4.45Å; P406-L413 HydrophobicContact CG-CD2 3.88Å | ||
| 407 | K | 94.5 | Very high | 97.7 | Very high | 176 Ų | 176 | 42.5 Ų | 42.5 | 77% | 0.765 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -70.6 | -16.7 | 179.9 | -64.7 | 173.3 | -173.6 | 161.4 | 0 | 113.6 | D365 | D365-K407 IonicContact OD1-NZ 3.77Å; D365-K407 PolarHBondContact OD1-NZ 3.45Å |
| 408 | A | 95 | Very high | 97.7 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 63% | 0.628 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -146.2 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P406 Y410 | P406-A408 WeakPolarHBondContact CB-O 3.21Å; P406-A408 WeakPolarHBondContact CG-O 3.23Å; P406-A408 PolarHBondContact O-N 2.96Å; A408-Y410 PolarHBondContact O-N 3.43Å |
| 409 | A | 96.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 54 Ų | 54 | 72% | 0.719 | 28% | 0.282 | S | S | * | . | trans | -53.9 | 132.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 410 | Y | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | trans | -138.9 | 96 | -171.2 | -178.5 | -129.2 | 0 | 0 | 0 | 109.3 | M367 D368 T370 I402 P403 P406 A408 P412 L413 E414 | M367-Y410 HydrophobicContact CB-CE2 4.11Å; M367-Y410 HydrophobicContact SD-CD2 4.46Å; D368-Y410 PolarHBondContact O-OH 3.43Å; T370-Y410 HydrophobicContact CG2-CD2 4.31Å; T370-Y410 HydrophobicContact CG2-CE2 3.77Å; I402-Y410 HydrophobicContact CG2-CD1 4.48Å; I402-Y410 HydrophobicContact CG2-CE1 3.68Å; P403-Y410 HydrophobicContact CG-CD1 3.96Å; P403-Y410 HydrophobicContact CG-CE1 3.57Å; P406-Y410 HydrophobicContact CB-CD1 4.46Å; P406-Y410 HydrophobicContact CB-CG 4.4Å; P406-Y410 HydrophobicContact CG-CD1 4.45Å; A408-Y410 PolarHBondContact O-N 3.43Å; Y410-P412 VanDerWaalsContact C-CD 3.45Å; Y410-P412 HydrophobicContact CD1-CB 4.43Å; Y410-P412 HydrophobicContact CD2-CG 4.07Å; Y410-P412 HydrophobicContact CE1-CB 3.81Å; Y410-P412 HydrophobicContact CE1-CG 4.19Å; Y410-P412 HydrophobicContact CE2-CB 4.02Å; Y410-P412 HydrophobicContact CE2-CG 3.45Å; Y410-P412 VanDerWaalsContact CE2-CG 3.45Å; Y410-L413 HydrophobicContact CD1-CB 3.64Å; Y410-L413 HydrophobicContact CE1-CB 4.3Å; Y410-L413 HydrophobicContact CG-CB 4.49Å; Y410-L413 WeakPolarHBondContact O-CB 3.2Å; Y410-L413 PolarHBondContact O-N 2.83Å; Y410-L413 VanDerWaalsContact O-N 3.08Å; Y410-E414 PolarHBondContact N-OE1 2.91Å; Y410-E414 PolarHBondContact O-N 2.95Å | ||
| 411 | P | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 41% | 0.409 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.1 | -37.1 | -173.2 | -27.8 | 35 | 0 | 0 | 0 | 115.9 | L413 E414 H415 F458 | P411-L413 VanDerWaalsContact C-N 3.33Å; P411-L413 PolarHBondContact O-N 2.83Å; P411-E414 PolarHBondContact O-N 2.87Å; P411-H415 WeakPolarHBondContact O-CB 3.31Å; P411-H415 PolarHBondContact O-CD2 2.96Å; P411-H415 VanDerWaalsContact O-CD2 3.25Å; P411-H415 PolarHBondContact O-N 3.04Å; P411-F458 HydrophobicContact CB-CE1 4.12Å; P411-F458 HydrophobicContact CB-CZ 4.36Å |
| 412 | P | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -46.1 | 173.3 | -27.9 | 36.3 | 0 | 0 | 0 | 113 | F369 I402 Y410 G416 Y454 F458 | F369-P412 HydrophobicContact CB-CG 4.35Å; F369-P412 HydrophobicContact CD2-CB 4.19Å; F369-P412 HydrophobicContact CD2-CG 3.97Å; I402-P412 HydrophobicContact CG2-CB 4.35Å; Y410-P412 VanDerWaalsContact C-CD 3.45Å; Y410-P412 HydrophobicContact CD1-CB 4.43Å; Y410-P412 HydrophobicContact CD2-CG 4.07Å; Y410-P412 HydrophobicContact CE1-CB 3.81Å; Y410-P412 HydrophobicContact CE1-CG 4.19Å; Y410-P412 HydrophobicContact CE2-CB 4.02Å; Y410-P412 HydrophobicContact CE2-CG 3.45Å; Y410-P412 VanDerWaalsContact CE2-CG 3.45Å; P412-G416 PolarHBondContact O-N 3.29Å; P412-Y454 WeakPolarHBondContact CA-OH 3.13Å; P412-Y454 VanDerWaalsContact CB-OH 3.25Å; P412-Y454 WeakPolarHBondContact CB-OH 3.41Å; P412-Y454 VanDerWaalsContact O-CE2 3.23Å; P412-Y454 WeakPolarHBondContact O-CE2 3.17Å; P412-Y454 PolarHBondContact O-OH 2.78Å; P412-Y454 VanDerWaalsContact O-OH 3.06Å; P412-F458 VanDerWaalsContact CA-CZ 3.45Å; P412-F458 HydrophobicContact CB-CD1 4.47Å; P412-F458 HydrophobicContact CB-CE1 4.28Å; P412-F458 HydrophobicContact CB-CE2 4.34Å; P412-F458 HydrophobicContact CB-CZ 4.22Å; P412-F458 HydrophobicContact CG-CD1 3.77Å; P412-F458 HydrophobicContact CG-CE1 3.66Å; P412-F458 HydrophobicContact CG-CG 4.28Å; P412-F458 HydrophobicContact CG-CZ 4.09Å |
| 413 | L | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 174.6 | 172.7 | 65.5 | 0 | 0 | 0 | 112 | I402 P403 S404 P406 Y410 P411 H415 G416 L417 F422 Y442 | I402-L413 HydrophobicContact CG2-CB 4.26Å; P403-L413 WeakPolarHBondContact O-CD2 3.43Å; S404-L413 WeakPolarHBondContact O-CD2 3.42Å; P406-L413 HydrophobicContact CG-CD2 3.88Å; Y410-L413 HydrophobicContact CD1-CB 3.64Å; Y410-L413 HydrophobicContact CE1-CB 4.3Å; Y410-L413 HydrophobicContact CG-CB 4.49Å; Y410-L413 WeakPolarHBondContact O-CB 3.2Å; Y410-L413 PolarHBondContact O-N 2.83Å; Y410-L413 VanDerWaalsContact O-N 3.08Å; P411-L413 VanDerWaalsContact C-N 3.33Å; P411-L413 PolarHBondContact O-N 2.83Å; L413-H415 VanDerWaalsContact C-N 3.34Å; L413-H415 PolarHBondContact O-N 3.31Å; L413-G416 PolarHBondContact O-N 3.46Å; L413-L417 HydrophobicContact CD1-CD1 3.82Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 WeakPolarHBondContact O-CG 3.29Å; L413-L417 PolarHBondContact O-N 3.19Å; L413-F422 HydrophobicContact CD1-CE2 4.25Å; L413-Y442 HydrophobicContact CD1-CD2 3.61Å; L413-Y442 HydrophobicContact CD1-CE2 3.67Å |
| 414 | E | 98.5 | Very high | 97.9 | Very high | 99 Ų | 99 | 61 Ų | 61 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | -175.8 | -66.1 | 170.7 | -162.7 | 0 | 0 | 112 | Y410 P411 K418 | Y410-E414 PolarHBondContact N-OE1 2.91Å; Y410-E414 PolarHBondContact O-N 2.95Å; P411-E414 PolarHBondContact O-N 2.87Å; E414-K418 WeakPolarHBondContact O-CB 3.35Å; E414-K418 PolarHBondContact O-N 2.85Å; E414-K418 VanDerWaalsContact O-N 3.08Å |
| 415 | H | 98.5 | Very high | 97.9 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.4 | -43.5 | 177.7 | -76.9 | -139 | 0 | 0 | 0 | 111.4 | P411 L413 L417 K418 M419 Y454 F458 | P411-H415 WeakPolarHBondContact O-CB 3.31Å; P411-H415 PolarHBondContact O-CD2 2.96Å; P411-H415 VanDerWaalsContact O-CD2 3.25Å; P411-H415 PolarHBondContact O-N 3.04Å; L413-H415 VanDerWaalsContact C-N 3.34Å; L413-H415 PolarHBondContact O-N 3.31Å; H415-L417 VanDerWaalsContact C-N 3.32Å; H415-L417 PolarHBondContact O-N 2.99Å; H415-K418 PolarHBondContact O-N 3.2Å; H415-M419 WeakPolarHBondContact O-CB 3.22Å; H415-M419 VanDerWaalsContact O-CG 3.31Å; H415-M419 WeakPolarHBondContact O-CG 3.47Å; H415-M419 PolarHBondContact O-N 2.94Å; H415-Y454 HydrophobicContact CB-CD2 4.31Å; H415-Y454 HydrophobicContact CB-CE2 4.2Å; H415-F458 HydrophobicContact CB-CE2 3.88Å; H415-F458 HydrophobicContact CB-CZ 3.86Å; H415-F458 AromaticContact CG-CZ 3.8Å; H415-F458 AromaticContact ND1-CZ 3.85Å |
| 416 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P412 L413 M419 D420 I421 | P412-G416 PolarHBondContact O-N 3.29Å; L413-G416 PolarHBondContact O-N 3.46Å; G416-M419 PolarHBondContact O-N 3.17Å; G416-D420 PolarHBondContact O-N 3.02Å; G416-I421 PolarHBondContact O-N 3.45Å |
| 417 | L | 98.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 173.7 | -73.9 | 172.2 | 0 | 0 | 0 | 112 | L413 H415 M419 D420 F422 P431 Y442 | L413-L417 HydrophobicContact CD1-CD1 3.82Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 WeakPolarHBondContact O-CG 3.29Å; L413-L417 PolarHBondContact O-N 3.19Å; H415-L417 VanDerWaalsContact C-N 3.32Å; H415-L417 PolarHBondContact O-N 2.99Å; L417-M419 VanDerWaalsContact C-N 3.32Å; L417-M419 PolarHBondContact O-N 3.08Å; L417-D420 PolarHBondContact O-N 2.88Å; L417-F422 HydrophobicContact CD2-CD2 4.15Å; L417-F422 HydrophobicContact CD2-CE2 4.32Å; L417-F422 HydrophobicContact CG-CD2 4.42Å; L417-F422 HydrophobicContact CG-CE2 4.11Å; L417-P431 HydrophobicContact CD2-CG 3.85Å; L417-Y442 HydrophobicContact CD2-CE2 4.06Å |
| 418 | K | 98.5 | Very high | 97.7 | Very high | 186 Ų | 186 | 52.8 Ų | 52.8 | 81% | 0.809 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.8 | -34.7 | 178.5 | -176.7 | -178.7 | 177 | -174.6 | 0 | 112.7 | E414 H415 D420 | E414-K418 WeakPolarHBondContact O-CB 3.35Å; E414-K418 PolarHBondContact O-N 2.85Å; E414-K418 VanDerWaalsContact O-N 3.08Å; H415-K418 PolarHBondContact O-N 3.2Å; K418-D420 VanDerWaalsContact C-N 3.35Å |
| 419 | M | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 29% | 0.286 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -85.9 | -6.7 | 178.7 | -65.4 | 178.1 | 64.5 | 0 | 0 | 113.1 | H415 G416 L417 I421 D450 Y454 | H415-M419 WeakPolarHBondContact O-CB 3.22Å; H415-M419 VanDerWaalsContact O-CG 3.31Å; H415-M419 WeakPolarHBondContact O-CG 3.47Å; H415-M419 PolarHBondContact O-N 2.94Å; G416-M419 PolarHBondContact O-N 3.17Å; L417-M419 VanDerWaalsContact C-N 3.32Å; L417-M419 PolarHBondContact O-N 3.08Å; M419-I421 VanDerWaalsContact C-N 3.31Å; M419-I421 HydrophobicContact CB-CG1 4.49Å; M419-I421 HydrophobicContact CB-CG2 3.75Å; M419-I421 PolarHBondContact O-N 3.38Å; M419-D450 HydrophobicContact CE-CB 3.98Å; M419-D450 VanDerWaalsContact CE-O 3.25Å; M419-D450 WeakPolarHBondContact CE-O 3.27Å; M419-Y454 HydrophobicContact SD-CD2 4.34Å |
| 420 | D | 98.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 40.4 | 179.3 | -163.9 | 35.3 | 0 | 0 | 0 | 113.5 | G416 L417 K418 K424 | G416-D420 PolarHBondContact O-N 3.02Å; L417-D420 PolarHBondContact O-N 2.88Å; K418-D420 VanDerWaalsContact C-N 3.35Å; D420-K424 WeakPolarHBondContact OD1-CE 3.34Å; D420-K424 IonicContact OD1-NZ 3.37Å; D420-K424 PolarHBondContact OD1-NZ 2.94Å; D420-K424 IonicContact OD2-NZ 2.81Å; D420-K424 PolarHBondContact OD2-NZ 3.18Å |
| 421 | I | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | trans | -96.5 | -7.2 | -172.4 | 60.2 | 78.5 | 0 | 0 | 0 | 114.8 | G416 M419 P444 D445 D450 T451 Y454 | G416-I421 PolarHBondContact O-N 3.45Å; M419-I421 VanDerWaalsContact C-N 3.31Å; M419-I421 HydrophobicContact CB-CG1 4.49Å; M419-I421 HydrophobicContact CB-CG2 3.75Å; M419-I421 PolarHBondContact O-N 3.38Å; I421-P444 HydrophobicContact CD1-CB 4Å; I421-D445 VanDerWaalsContact O-CB 3.3Å; I421-D445 WeakPolarHBondContact O-CB 3.38Å; I421-D445 PolarHBondContact O-N 2.99Å; I421-D450 HydrophobicContact CG2-CB 3.71Å; I421-T451 WeakPolarHBondContact CB-OG1 3.37Å; I421-Y454 HydrophobicContact CD1-CD1 4.42Å; I421-Y454 HydrophobicContact CG1-CG 4.46Å | ||
| 422 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 146.3 | -177.2 | -64.9 | -60.6 | 0 | 0 | 0 | 111.7 | I402 L413 L417 K424 P431 Y442 W443 P444 | I402-F422 HydrophobicContact CB-CE1 3.82Å; I402-F422 HydrophobicContact CB-CZ 4.08Å; I402-F422 HydrophobicContact CG1-CE1 3.91Å; I402-F422 HydrophobicContact CG1-CZ 4.4Å; I402-F422 HydrophobicContact CG2-CE1 4.23Å; I402-F422 HydrophobicContact CG2-CZ 3.96Å; L413-F422 HydrophobicContact CD1-CE2 4.25Å; L417-F422 HydrophobicContact CD2-CD2 4.15Å; L417-F422 HydrophobicContact CD2-CE2 4.32Å; L417-F422 HydrophobicContact CG-CD2 4.42Å; L417-F422 HydrophobicContact CG-CE2 4.11Å; F422-K424 PolarHBondContact O-N 3.1Å; F422-P431 HydrophobicContact CB-CB 3.84Å; F422-P431 HydrophobicContact CB-CG 4.12Å; F422-P431 HydrophobicContact CD2-CG 4.4Å; F422-Y442 HydrophobicContact CD1-CG 4.49Å; F422-Y442 AromaticContact CD2-CD2 3.92Å; F422-Y442 HydrophobicContact CD2-CD2 3.92Å; F422-Y442 HydrophobicContact CD2-CG 4.37Å; F422-Y442 AromaticContact CE2-CD2 3.98Å; F422-Y442 HydrophobicContact CE2-CD2 3.98Å; F422-Y442 HydrophobicContact CG-CD2 4.28Å; F422-Y442 HydrophobicContact CG-CG 4.27Å; F422-Y442 HydrophobicContact CZ-CD2 4.42Å; F422-W443 WeakPolarHBondContact CA-O 3.28Å; F422-P444 HydrophobicContact CD1-CG 4.47Å; F422-P444 HydrophobicContact CE1-CG 4.25Å |
| 423 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -58 | 132.5 | 171.6 | -56.8 | -170.7 | 0 | 0 | 0 | 109.2 | P431 L432 W443 D445 I512 A516 Q518 Y530 | I423-P431 CarbonylContact O-C 3.56Å; I423-P431 WeakPolarHBondContact O-CA 3.39Å; I423-L432 PolarHBondContact O-N 2.92Å; I423-W443 HydrophobicContact CD1-CB 4.09Å; I423-W443 HydrophobicContact CG1-CB 4.3Å; I423-W443 WeakPolarHBondContact CG1-O 3.33Å; I423-W443 PolarHBondContact N-O 2.95Å; I423-D445 HydrophobicContact CG1-CB 4Å; I423-I512 HydrophobicContact CD1-CD1 3.66Å; I423-I512 HydrophobicContact CG2-CD1 4.09Å; I423-A516 HydrophobicContact CG2-CB 3.62Å; I423-Q518 HydrophobicContact CB-CG 4.45Å; I423-Q518 HydrophobicContact CD1-CG 3.79Å; I423-Q518 HydrophobicContact CG1-CG 3.81Å; I423-Q518 HydrophobicContact CG2-CG 4.03Å; I423-Y530 HydrophobicContact CD1-CD2 4.22Å; I423-Y530 HydrophobicContact CD1-CE2 3.8Å |
| 424 | K | 98.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 137.3 | -172.4 | -63 | 178.2 | -178.9 | -179.3 | 0 | 112.2 | D420 F422 N426 R430 A516 N517 | D420-K424 WeakPolarHBondContact OD1-CE 3.34Å; D420-K424 IonicContact OD1-NZ 3.37Å; D420-K424 PolarHBondContact OD1-NZ 2.94Å; D420-K424 IonicContact OD2-NZ 2.81Å; D420-K424 PolarHBondContact OD2-NZ 3.18Å; F422-K424 PolarHBondContact O-N 3.1Å; K424-N426 PolarHBondContact O-N 2.94Å; K424-R430 CarbonylContact C-O 3.58Å; K424-R430 VanDerWaalsContact CA-O 3.31Å; K424-R430 WeakPolarHBondContact CA-O 3.38Å; K424-A516 CarbonylContact O-C 3.5Å; K424-A516 WeakPolarHBondContact O-CA 3.39Å; K424-N517 HydrophobicContact CB-CB 4.34Å; K424-N517 PolarHBondContact N-O 3.22Å; K424-N517 PolarHBondContact O-N 2.96Å |
| 425 | D | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 132.5 | 164.3 | 171 | -104.8 | 0 | 0 | 0 | 109.9 | S427 S428 G429 R430 L432 | D425-S427 VanDerWaalsContact C-N 3.32Å; D425-S427 PolarHBondContact O-N 3.2Å; D425-S427 PolarHBondContact OD1-N 2.94Å; D425-S427 VanDerWaalsContact OD1-N 3.1Å; D425-S427 PolarHBondContact OD1-OG 3.02Å; D425-S428 WeakPolarHBondContact OD1-CB 3.41Å; D425-S428 PolarHBondContact OD1-N 3.3Å; D425-S428 PolarHBondContact OD1-OG 3.36Å; D425-G429 WeakPolarHBondContact O-CA 3.45Å; D425-G429 PolarHBondContact O-N 2.62Å; D425-R430 PolarHBondContact N-O 3.03Å; D425-L432 HydrophobicContact CB-CB 4.3Å |
| 426 | N | 95.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -35.3 | -174.2 | -165.7 | 31.1 | 0 | 0 | 0 | 112.9 | K424 D515 N517 | K424-N426 PolarHBondContact O-N 2.94Å; N426-D515 HydrophobicContact CB-CB 4.3Å; N426-D515 VanDerWaalsContact CB-O 3.26Å; N426-D515 WeakPolarHBondContact CB-O 3.18Å; N426-D515 WeakPolarHBondContact CB-OD2 3.29Å; N426-D515 PolarHBondContact ND2-OD2 2.99Å; N426-N517 PolarHBondContact OD1-ND2 3.37Å |
| 427 | S | 93.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 54% | 0.538 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -38.4 | -171.5 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | D425 | D425-S427 VanDerWaalsContact C-N 3.32Å; D425-S427 PolarHBondContact O-N 3.2Å; D425-S427 PolarHBondContact OD1-N 2.94Å; D425-S427 VanDerWaalsContact OD1-N 3.1Å; D425-S427 PolarHBondContact OD1-OG 3.02Å |
| 428 | S | 94.9 | Very high | 97.5 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -17.7 | -175.6 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | D425 R430 | D425-S428 WeakPolarHBondContact OD1-CB 3.41Å; D425-S428 PolarHBondContact OD1-N 3.3Å; D425-S428 PolarHBondContact OD1-OG 3.36Å; S428-R430 PolarHBondContact O-N 2.92Å; S428-R430 PolarHBondContact OG-N 3.21Å |
| 429 | G | 95.5 | Very high | 97.5 | Very high | 46 Ų | 46 | 40 Ų | 40 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | trans | 69.1 | 7.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D425 | D425-G429 WeakPolarHBondContact O-CA 3.45Å; D425-G429 PolarHBondContact O-N 2.62Å | ||
| 430 | R | 97.1 | Very high | 97.5 | Very high | 159 Ų | 159 | 39.6 Ų | 39.6 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -93.8 | 161.5 | 177 | -63.6 | -179.4 | -66.3 | 175.3 | 2.1 | 110.1 | K424 D425 S428 L432 | K424-R430 CarbonylContact C-O 3.58Å; K424-R430 VanDerWaalsContact CA-O 3.31Å; K424-R430 WeakPolarHBondContact CA-O 3.38Å; D425-R430 PolarHBondContact N-O 3.03Å; S428-R430 PolarHBondContact O-N 2.92Å; S428-R430 PolarHBondContact OG-N 3.21Å; R430-L432 PolarHBondContact O-N 3.03Å |
| 431 | P | 98.5 | Very high | 97.5 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 17% | 0.169 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -50.5 | 132.8 | 171.6 | -29.4 | 37.9 | 0 | 0 | 0 | 112.3 | L417 F422 I423 E433 Y442 | L417-P431 HydrophobicContact CD2-CG 3.85Å; F422-P431 HydrophobicContact CB-CB 3.84Å; F422-P431 HydrophobicContact CB-CG 4.12Å; F422-P431 HydrophobicContact CD2-CG 4.4Å; I423-P431 CarbonylContact O-C 3.56Å; I423-P431 WeakPolarHBondContact O-CA 3.39Å; P431-E433 PolarHBondContact O-N 3.05Å; P431-Y442 HydrophobicContact CB-CD1 3.56Å; P431-Y442 HydrophobicContact CB-CD2 4.04Å; P431-Y442 HydrophobicContact CB-CE1 3.49Å; P431-Y442 VanDerWaalsContact CB-CE1 3.49Å; P431-Y442 HydrophobicContact CB-CE2 4.01Å; P431-Y442 HydrophobicContact CB-CG 3.84Å; P431-Y442 HydrophobicContact CG-CE2 4.5Å; P431-Y442 WeakPolarHBondContact O-CE1 3.19Å |
| 432 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 120.4 | -178.3 | -179.9 | 152.2 | 0 | 0 | 0 | 110.2 | I423 D425 R430 Y442 W443 I512 C513 A516 | I423-L432 PolarHBondContact O-N 2.92Å; D425-L432 HydrophobicContact CB-CB 4.3Å; R430-L432 PolarHBondContact O-N 3.03Å; L432-Y442 WeakPolarHBondContact O-CD1 3.31Å; L432-W443 HydrophobicContact CD2-CE3 4.17Å; L432-W443 HydrophobicContact CD2-CZ3 3.96Å; L432-I512 HydrophobicContact CD1-CB 4.33Å; L432-I512 HydrophobicContact CD2-CB 3.89Å; L432-I512 HydrophobicContact CD2-CG2 3.78Å; L432-C513 HydrophobicContact CD1-CB 3.84Å; L432-A516 HydrophobicContact CD1-CB 3.59Å |
| 433 | E | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 125.3 | 174.4 | -70.4 | -171.3 | 115.7 | 0 | 0 | 111.1 | S404 R405 P431 I440 T441 Y442 S485 V486 | S404-E433 PolarHBondContact OG-OE1 3.15Å; R405-E433 IonicContact CZ-OE1 2.8Å; R405-E433 IonicContact CZ-OE2 3.55Å; R405-E433 IonicContact NE-OE1 2.81Å; R405-E433 PolarHBondContact NE-OE1 2.66Å; R405-E433 VanDerWaalsContact NH2-CD 3.29Å; R405-E433 IonicContact NH2-OE1 3.59Å; R405-E433 PolarHBondContact NH2-OE1 3.29Å; R405-E433 IonicContact NH2-OE2 3.36Å; R405-E433 PolarHBondContact NH2-OE2 3.3Å; P431-E433 PolarHBondContact O-N 3.05Å; E433-I440 HydrophobicContact CB-CG2 3.81Å; E433-I440 HydrophobicContact CG-CG2 4.02Å; E433-I440 WeakPolarHBondContact OE1-CG2 3.42Å; E433-T441 WeakPolarHBondContact CA-O 3.29Å; E433-Y442 HydrophobicContact CB-CE1 4.39Å; E433-Y442 HydrophobicContact CG-CD1 4.11Å; E433-Y442 HydrophobicContact CG-CE1 3.34Å; E433-S485 CarbonylContact O-C 3.47Å; E433-S485 WeakPolarHBondContact O-CA 3.46Å; E433-S485 VanDerWaalsContact O-CB 3.28Å; E433-S485 WeakPolarHBondContact O-CB 3.34Å; E433-V486 HydrophobicContact CB-CB 4.19Å; E433-V486 HydrophobicContact CB-CG2 3.85Å; E433-V486 PolarHBondContact O-N 3.29Å |
| 434 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | -159.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I440 T441 | G434-I440 CarbonylContact O-C 3.58Å; G434-I440 WeakPolarHBondContact O-CA 3.34Å; G434-I440 WeakPolarHBondContact O-CG2 3.42Å; G434-T441 PolarHBondContact N-O 3.25Å; G434-T441 PolarHBondContact O-N 2.9Å |
| 435 | A | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 137.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G439 I440 N480 F481 L482 | A435-G439 VanDerWaalsContact CA-O 3.3Å; A435-G439 WeakPolarHBondContact CA-O 3.37Å; A435-I440 HydrophobicContact CB-CD1 3.94Å; A435-N480 PolarHBondContact N-OD1 2.89Å; A435-N480 PolarHBondContact O-OD1 2.65Å; A435-N480 VanDerWaalsContact O-OD1 3.13Å; A435-F481 WeakPolarHBondContact O-CB 3.07Å; A435-F481 PolarHBondContact O-N 2.55Å; A435-L482 HydrophobicContact CB-CD1 3.97Å; A435-L482 HydrophobicContact CB-CG 3.88Å |
| 436 | V | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -156.8 | 172.1 | -77.1 | 0 | 0 | 0 | 0 | 109.3 | P438 G439 T441 W443 M475 S479 F481 | V436-P438 HydrophobicContact CG2-CG 4.42Å; V436-G439 PolarHBondContact N-O 3.15Å; V436-G439 WeakPolarHBondContact O-CA 3.31Å; V436-G439 PolarHBondContact O-N 3.22Å; V436-T441 HydrophobicContact CG2-CG2 3.66Å; V436-W443 HydrophobicContact CG1-CZ2 4.07Å; V436-M475 HydrophobicContact CG1-CE 4.11Å; V436-S479 WeakPolarHBondContact CG1-O 2.99Å; V436-F481 VanDerWaalsContact C-CE2 3.41Å |
| 437 | W | 97 | Very high | 97.5 | Very high | 78 Ų | 78 | 31.2 Ų | 31.2 | 30% | 0.295 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -47.7 | -176.2 | -70.5 | 124 | 0 | 0 | 0 | 116 | F331 I360 R366 D399 G439 F481 | F331-W437 HydrophobicContact CE1-CH2 4.2Å; F331-W437 HydrophobicContact CZ-CH2 4.28Å; F331-W437 HydrophobicContact CZ-CZ3 4.44Å; I360-W437 HydrophobicContact CD1-CB 4.16Å; I360-W437 HydrophobicContact CD1-CD2 3.55Å; I360-W437 HydrophobicContact CD1-CE3 3.91Å; I360-W437 HydrophobicContact CD1-CG 3.68Å; I360-W437 HydrophobicContact CD1-CZ2 4.46Å; I360-W437 HydrophobicContact CD1-CZ3 4.49Å; R366-W437 HydrophobicContact CB-CB 4.15Å; R366-W437 WeakPolarHBondContact CD-O 3.14Å; D399-W437 VanDerWaalsContact OD2-CD1 3.23Å; W437-G439 PolarHBondContact O-N 3.14Å; W437-F481 HydrophobicContact CD2-CE2 4.33Å; W437-F481 AromaticContact CD2-CZ 3.96Å; W437-F481 HydrophobicContact CD2-CZ 3.96Å; W437-F481 HydrophobicContact CE3-CE2 4.33Å; W437-F481 HydrophobicContact CE3-CZ 4.25Å; W437-F481 HydrophobicContact CG-CZ 4.35Å; W437-F481 HydrophobicContact CZ2-CZ 4.36Å |
| 438 | P | 97.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 8.4 | 175.9 | 31.5 | -38.1 | 0 | 0 | 0 | 114.8 | R366 M367 P403 V436 | R366-P438 WeakPolarHBondContact O-CB 3.45Å; M367-P438 HydrophobicContact CG-CB 4.12Å; P403-P438 HydrophobicContact CB-CB 4.02Å; P403-P438 HydrophobicContact CB-CG 4.3Å; P403-P438 HydrophobicContact CG-CB 4.11Å; P403-P438 HydrophobicContact CG-CG 4.4Å; V436-P438 HydrophobicContact CG2-CG 4.42Å |
| 439 | G | 97.9 | Very high | 97.8 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 32% | 0.32 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.1 | -140.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A435 V436 W437 T441 | A435-G439 VanDerWaalsContact CA-O 3.3Å; A435-G439 WeakPolarHBondContact CA-O 3.37Å; V436-G439 PolarHBondContact N-O 3.15Å; V436-G439 WeakPolarHBondContact O-CA 3.31Å; V436-G439 PolarHBondContact O-N 3.22Å; W437-G439 PolarHBondContact O-N 3.14Å; G439-T441 PolarHBondContact O-N 3.46Å; G439-T441 PolarHBondContact O-OG1 2.98Å |
| 440 | I | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 25% | 0.246 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.5 | -175.7 | -50.9 | -53.8 | 0 | 0 | 0 | 110.4 | P403 S404 E433 G434 A435 V486 | P403-I440 CarbonylContact C-O 3.3Å; P403-I440 WeakPolarHBondContact CA-O 3.2Å; S404-I440 PolarHBondContact N-O 2.83Å; S404-I440 VanDerWaalsContact OG-C 3.31Å; S404-I440 WeakPolarHBondContact OG-CG2 3.42Å; S404-I440 PolarHBondContact OG-O 3.07Å; E433-I440 HydrophobicContact CB-CG2 3.81Å; E433-I440 HydrophobicContact CG-CG2 4.02Å; E433-I440 WeakPolarHBondContact OE1-CG2 3.42Å; G434-I440 CarbonylContact O-C 3.58Å; G434-I440 WeakPolarHBondContact O-CA 3.34Å; G434-I440 WeakPolarHBondContact O-CG2 3.42Å; A435-I440 HydrophobicContact CB-CD1 3.94Å; I440-V486 HydrophobicContact CD1-CG2 3.88Å; I440-V486 HydrophobicContact CG2-CG2 3.85Å |
| 441 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151 | -157.3 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | I402 E433 G434 V436 G439 W443 | I402-T441 VanDerWaalsContact N-CG2 3.31Å; I402-T441 WeakPolarHBondContact O-CA 3.15Å; I402-T441 WeakPolarHBondContact O-CG2 2.98Å; E433-T441 WeakPolarHBondContact CA-O 3.29Å; G434-T441 PolarHBondContact N-O 3.25Å; G434-T441 PolarHBondContact O-N 2.9Å; V436-T441 HydrophobicContact CG2-CG2 3.66Å; G439-T441 PolarHBondContact O-N 3.46Å; G439-T441 PolarHBondContact O-OG1 2.98Å; T441-W443 WeakPolarHBondContact O-CZ3 3.44Å |
| 442 | Y | 98.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.122 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148.7 | 168.1 | -60.1 | -38 | 0 | 0 | 0 | 110.7 | I402 S404 L413 L417 F422 P431 L432 E433 | I402-Y442 PolarHBondContact N-O 2.97Å; I402-Y442 PolarHBondContact O-N 3.48Å; S404-Y442 VanDerWaalsContact CB-CE2 3.41Å; L413-Y442 HydrophobicContact CD1-CD2 3.61Å; L413-Y442 HydrophobicContact CD1-CE2 3.67Å; L417-Y442 HydrophobicContact CD2-CE2 4.06Å; F422-Y442 HydrophobicContact CD1-CG 4.49Å; F422-Y442 AromaticContact CD2-CD2 3.92Å; F422-Y442 HydrophobicContact CD2-CD2 3.92Å; F422-Y442 HydrophobicContact CD2-CG 4.37Å; F422-Y442 AromaticContact CE2-CD2 3.98Å; F422-Y442 HydrophobicContact CE2-CD2 3.98Å; F422-Y442 HydrophobicContact CG-CD2 4.28Å; F422-Y442 HydrophobicContact CG-CG 4.27Å; F422-Y442 HydrophobicContact CZ-CD2 4.42Å; P431-Y442 HydrophobicContact CB-CD1 3.56Å; P431-Y442 HydrophobicContact CB-CD2 4.04Å; P431-Y442 HydrophobicContact CB-CE1 3.49Å; P431-Y442 VanDerWaalsContact CB-CE1 3.49Å; P431-Y442 HydrophobicContact CB-CE2 4.01Å; P431-Y442 HydrophobicContact CB-CG 3.84Å; P431-Y442 HydrophobicContact CG-CE2 4.5Å; P431-Y442 WeakPolarHBondContact O-CE1 3.19Å; L432-Y442 WeakPolarHBondContact O-CD1 3.31Å; E433-Y442 HydrophobicContact CB-CE1 4.39Å; E433-Y442 HydrophobicContact CG-CD1 4.11Å; E433-Y442 HydrophobicContact CG-CE1 3.34Å |
| 443 | W | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | trans | -103 | 126.8 | 173.3 | -73.2 | -97.4 | 0 | 0 | 0 | 110.1 | F422 I423 L432 V436 T441 P478 S479 N480 I512 | F422-W443 WeakPolarHBondContact CA-O 3.28Å; I423-W443 HydrophobicContact CD1-CB 4.09Å; I423-W443 HydrophobicContact CG1-CB 4.3Å; I423-W443 WeakPolarHBondContact CG1-O 3.33Å; I423-W443 PolarHBondContact N-O 2.95Å; L432-W443 HydrophobicContact CD2-CE3 4.17Å; L432-W443 HydrophobicContact CD2-CZ3 3.96Å; V436-W443 HydrophobicContact CG1-CZ2 4.07Å; T441-W443 WeakPolarHBondContact O-CZ3 3.44Å; W443-P478 HydrophobicContact CG-CB 4.39Å; W443-S479 VanDerWaalsContact CZ2-O 3.26Å; W443-S479 WeakPolarHBondContact CZ2-O 3.43Å; W443-N480 HydrophobicContact CH2-CB 4.17Å; W443-N480 HydrophobicContact CZ2-CB 4.09Å; W443-I512 HydrophobicContact CD2-CG2 3.6Å; W443-I512 HydrophobicContact CE3-CG2 3.44Å; W443-I512 VanDerWaalsContact CE3-CG2 3.44Å; W443-I512 HydrophobicContact CG-CG2 4.34Å; W443-I512 HydrophobicContact CH2-CG2 3.81Å; W443-I512 HydrophobicContact CZ2-CG2 3.95Å; W443-I512 HydrophobicContact CZ3-CG2 3.54Å | ||
| 444 | P | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 137 | 167.5 | -22.1 | 35 | 0 | 0 | 0 | 111 | S400 I402 I421 F422 F446 T451 W455 Y530 | S400-P444 WeakPolarHBondContact O-CD 3.38Å; I402-P444 HydrophobicContact CG1-CG 3.95Å; I421-P444 HydrophobicContact CD1-CB 4Å; F422-P444 HydrophobicContact CD1-CG 4.47Å; F422-P444 HydrophobicContact CE1-CG 4.25Å; P444-F446 HydrophobicContact CB-CE1 4.39Å; P444-F446 HydrophobicContact CB-CE2 4.2Å; P444-F446 HydrophobicContact CB-CZ 4.11Å; P444-F446 HydrophobicContact CG-CZ 4.31Å; P444-F446 PolarHBondContact O-N 3.49Å; P444-T451 HydrophobicContact CB-CG2 3.75Å; P444-W455 HydrophobicContact CG-CZ3 4.29Å; P444-Y530 WeakPolarHBondContact O-CE2 3.41Å; P444-Y530 PolarHBondContact O-OH 2.74Å |
| 445 | D | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | trans | -82 | 93 | 169.3 | 179.3 | 14.2 | 0 | 0 | 0 | 109.5 | I421 I423 T447 N448 T451 Q518 L519 | I421-D445 VanDerWaalsContact O-CB 3.3Å; I421-D445 WeakPolarHBondContact O-CB 3.38Å; I421-D445 PolarHBondContact O-N 2.99Å; I423-D445 HydrophobicContact CG1-CB 4Å; D445-T447 VanDerWaalsContact CG-OG1 3.27Å; D445-T447 PolarHBondContact O-N 3.16Å; D445-T447 WeakPolarHBondContact OD1-CB 3.48Å; D445-T447 PolarHBondContact OD1-N 2.77Å; D445-T447 PolarHBondContact OD1-OG1 3.09Å; D445-T447 PolarHBondContact OD2-OG1 3.28Å; D445-N448 HydrophobicContact CB-CB 4.27Å; D445-N448 VanDerWaalsContact O-CB 3.31Å; D445-N448 WeakPolarHBondContact O-CB 3.44Å; D445-N448 PolarHBondContact O-N 2.71Å; D445-T451 VanDerWaalsContact O-CB 3.28Å; D445-T451 WeakPolarHBondContact O-CB 3.3Å; D445-T451 PolarHBondContact O-OG1 2.72Å; D445-Q518 HydrophobicContact CB-CG 4.44Å; D445-Q518 PolarHBondContact OD1-NE2 3.49Å; D445-Q518 WeakPolarHBondContact OD2-CA 3.4Å; D445-Q518 WeakPolarHBondContact OD2-CB 3.44Å; D445-L519 WeakPolarHBondContact OD2-CB 3.49Å; D445-L519 PolarHBondContact OD2-N 3.31Å | ||
| 446 | F | 98.2 | Very high | 98 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5.5 | 177.6 | -67.4 | -72.4 | 0 | 0 | 0 | 114.2 | P444 N448 T451 W455 Y530 S533 E534 V537 | P444-F446 HydrophobicContact CB-CE1 4.39Å; P444-F446 HydrophobicContact CB-CE2 4.2Å; P444-F446 HydrophobicContact CB-CZ 4.11Å; P444-F446 HydrophobicContact CG-CZ 4.31Å; P444-F446 PolarHBondContact O-N 3.49Å; F446-N448 VanDerWaalsContact C-N 3.33Å; F446-T451 HydrophobicContact CD1-CG2 3.65Å; F446-T451 HydrophobicContact CE1-CG2 3.99Å; F446-T451 HydrophobicContact CG-CG2 4.32Å; F446-W455 AromaticContact CE1-CD2 3.83Å; F446-W455 HydrophobicContact CE1-CD2 3.83Å; F446-W455 AromaticContact CE1-CE3 3.87Å; F446-W455 HydrophobicContact CE1-CE3 3.87Å; F446-W455 HydrophobicContact CE1-CG 4.25Å; F446-W455 HydrophobicContact CE1-CZ2 4.49Å; F446-W455 HydrophobicContact CE1-CZ3 4.24Å; F446-W455 HydrophobicContact CZ-CD2 4.26Å; F446-W455 HydrophobicContact CZ-CE3 4.03Å; F446-W455 HydrophobicContact CZ-CH2 4.01Å; F446-W455 HydrophobicContact CZ-CZ2 4.2Å; F446-W455 AromaticContact CZ-CZ3 3.91Å; F446-W455 HydrophobicContact CZ-CZ3 3.91Å; F446-Y530 AromaticContact CD2-CE1 3.98Å; F446-Y530 HydrophobicContact CD2-CE1 3.98Å; F446-Y530 AromaticContact CD2-CE2 3.95Å; F446-Y530 HydrophobicContact CD2-CE2 3.95Å; F446-Y530 AromaticContact CD2-CZ 3.6Å; F446-Y530 HydrophobicContact CE2-CE1 4.01Å; F446-Y530 HydrophobicContact CE2-CE2 4.49Å; F446-Y530 AromaticContact CE2-CZ 3.72Å; F446-Y530 WeakPolarHBondContact CE2-OH 3.03Å; F446-S533 WeakPolarHBondContact CB-OG 3.01Å; F446-E534 HydrophobicContact CD1-CB 4.26Å; F446-E534 HydrophobicContact CD1-CG 4.32Å; F446-E534 HydrophobicContact CD2-CB 3.64Å; F446-E534 HydrophobicContact CD2-CG 4.06Å; F446-E534 HydrophobicContact CE1-CB 4.31Å; F446-E534 HydrophobicContact CE1-CG 3.89Å; F446-E534 HydrophobicContact CE2-CB 3.69Å; F446-E534 VanDerWaalsContact CE2-CD 3.46Å; F446-E534 HydrophobicContact CE2-CG 3.59Å; F446-E534 HydrophobicContact CG-CB 3.93Å; F446-E534 HydrophobicContact CG-CG 4.4Å; F446-E534 HydrophobicContact CZ-CB 4.04Å; F446-E534 HydrophobicContact CZ-CG 3.49Å; F446-E534 VanDerWaalsContact CZ-CG 3.49Å; F446-V537 HydrophobicContact CB-CG2 4.42Å; F446-V537 HydrophobicContact CD1-CB 3.97Å; F446-V537 HydrophobicContact CD1-CG1 4.04Å; F446-V537 HydrophobicContact CD1-CG2 4.07Å; F446-V537 HydrophobicContact CE1-CG1 4.29Å |
| 447 | T | 96.6 | Very high | 98 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -12.1 | 169 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | D445 L520 L526 | D445-T447 VanDerWaalsContact CG-OG1 3.27Å; D445-T447 PolarHBondContact O-N 3.16Å; D445-T447 WeakPolarHBondContact OD1-CB 3.48Å; D445-T447 PolarHBondContact OD1-N 2.77Å; D445-T447 PolarHBondContact OD1-OG1 3.09Å; D445-T447 PolarHBondContact OD2-OG1 3.28Å; T447-L520 HydrophobicContact CG2-CD1 4.03Å; T447-L520 HydrophobicContact CG2-CG 4.45Å; T447-L526 HydrophobicContact CG2-CD1 4.49Å |
| 448 | N | 97.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -84.1 | 123 | 174.5 | -175.8 | -16 | 0 | 0 | 0 | 110.7 | D445 F446 D450 T451 L519 | D445-N448 HydrophobicContact CB-CB 4.27Å; D445-N448 VanDerWaalsContact O-CB 3.31Å; D445-N448 WeakPolarHBondContact O-CB 3.44Å; D445-N448 PolarHBondContact O-N 2.71Å; F446-N448 VanDerWaalsContact C-N 3.33Å; N448-D450 PolarHBondContact O-N 2.93Å; N448-D450 WeakPolarHBondContact OD1-CB 3.22Å; N448-D450 PolarHBondContact OD1-N 2.77Å; N448-T451 WeakPolarHBondContact O-CB 3.49Å; N448-T451 PolarHBondContact O-N 3.13Å; N448-T451 PolarHBondContact O-OG1 2.86Å; N448-L519 HydrophobicContact CB-CB 4.24Å; N448-L519 HydrophobicContact CB-CD2 4.1Å |
| 449 | P | 96.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 28.6 Ų | 28.6 | 52% | 0.519 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -55.3 | -31.8 | 176.4 | -26.7 | 35.2 | 0 | 0 | 0 | 114.4 | T451 T452 | P449-T451 PolarHBondContact O-N 3.38Å; P449-T452 VanDerWaalsContact O-CB 3.27Å; P449-T452 WeakPolarHBondContact O-CB 3.48Å; P449-T452 PolarHBondContact O-N 2.86Å; P449-T452 VanDerWaalsContact O-N 3.08Å |
| 450 | D | 98.1 | Very high | 98.2 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 43% | 0.433 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.7 | -29.3 | 177.9 | -70.6 | -25.2 | 0 | 0 | 0 | 111.7 | M419 I421 N448 T452 T453 Y454 | M419-D450 HydrophobicContact CE-CB 3.98Å; M419-D450 VanDerWaalsContact CE-O 3.25Å; M419-D450 WeakPolarHBondContact CE-O 3.27Å; I421-D450 HydrophobicContact CG2-CB 3.71Å; N448-D450 PolarHBondContact O-N 2.93Å; N448-D450 WeakPolarHBondContact OD1-CB 3.22Å; N448-D450 PolarHBondContact OD1-N 2.77Å; D450-T452 PolarHBondContact O-N 2.86Å; D450-T453 PolarHBondContact O-N 2.84Å; D450-T453 VanDerWaalsContact O-N 3.16Å; D450-Y454 WeakPolarHBondContact O-CB 3.16Å; D450-Y454 PolarHBondContact O-N 2.97Å |
| 451 | T | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -33.2 | 172.4 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | I421 P444 D445 F446 N448 P449 T453 Y454 W455 | I421-T451 WeakPolarHBondContact CB-OG1 3.37Å; P444-T451 HydrophobicContact CB-CG2 3.75Å; D445-T451 VanDerWaalsContact O-CB 3.28Å; D445-T451 WeakPolarHBondContact O-CB 3.3Å; D445-T451 PolarHBondContact O-OG1 2.72Å; F446-T451 HydrophobicContact CD1-CG2 3.65Å; F446-T451 HydrophobicContact CE1-CG2 3.99Å; F446-T451 HydrophobicContact CG-CG2 4.32Å; N448-T451 WeakPolarHBondContact O-CB 3.49Å; N448-T451 PolarHBondContact O-N 3.13Å; N448-T451 PolarHBondContact O-OG1 2.86Å; P449-T451 PolarHBondContact O-N 3.38Å; T451-T453 PolarHBondContact O-N 3.09Å; T451-Y454 PolarHBondContact O-N 3.09Å; T451-W455 VanDerWaalsContact O-CB 3.27Å; T451-W455 WeakPolarHBondContact O-CB 3.42Å; T451-W455 PolarHBondContact O-N 3.35Å |
| 452 | T | 97.1 | Very high | 98.2 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | P449 D450 L456 V537 | P449-T452 VanDerWaalsContact O-CB 3.27Å; P449-T452 WeakPolarHBondContact O-CB 3.48Å; P449-T452 PolarHBondContact O-N 2.86Å; P449-T452 VanDerWaalsContact O-N 3.08Å; D450-T452 PolarHBondContact O-N 2.86Å; T452-L456 VanDerWaalsContact O-CB 3.28Å; T452-L456 WeakPolarHBondContact O-CB 3.44Å; T452-L456 PolarHBondContact O-N 2.79Å; T452-V537 HydrophobicContact CG2-CG1 4.45Å |
| 453 | T | 98.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 33 Ų | 33 | 55% | 0.546 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | D450 T451 Y457 | D450-T453 PolarHBondContact O-N 2.84Å; D450-T453 VanDerWaalsContact O-N 3.16Å; T451-T453 PolarHBondContact O-N 3.09Å; T453-Y457 WeakPolarHBondContact O-CB 3.33Å; T453-Y457 PolarHBondContact O-N 3.38Å |
| 454 | Y | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -53.4 | 175 | 167.4 | -90.9 | 0 | 0 | 0 | 111.8 | P412 H415 M419 I421 D450 T451 L456 Y457 F458 | P412-Y454 WeakPolarHBondContact CA-OH 3.13Å; P412-Y454 VanDerWaalsContact CB-OH 3.25Å; P412-Y454 WeakPolarHBondContact CB-OH 3.41Å; P412-Y454 VanDerWaalsContact O-CE2 3.23Å; P412-Y454 WeakPolarHBondContact O-CE2 3.17Å; P412-Y454 PolarHBondContact O-OH 2.78Å; P412-Y454 VanDerWaalsContact O-OH 3.06Å; H415-Y454 HydrophobicContact CB-CD2 4.31Å; H415-Y454 HydrophobicContact CB-CE2 4.2Å; M419-Y454 HydrophobicContact SD-CD2 4.34Å; I421-Y454 HydrophobicContact CD1-CD1 4.42Å; I421-Y454 HydrophobicContact CG1-CG 4.46Å; D450-Y454 WeakPolarHBondContact O-CB 3.16Å; D450-Y454 PolarHBondContact O-N 2.97Å; T451-Y454 PolarHBondContact O-N 3.09Å; Y454-L456 PolarHBondContact O-N 3.06Å; Y454-Y457 WeakPolarHBondContact O-CB 3.26Å; Y454-Y457 PolarHBondContact O-N 3.24Å; Y454-F458 HydrophobicContact CD1-CD2 4.47Å; Y454-F458 AromaticContact CD2-CD2 3.84Å; Y454-F458 HydrophobicContact CD2-CD2 3.84Å; Y454-F458 AromaticContact CD2-CE2 3.56Å; Y454-F458 HydrophobicContact CD2-CE2 3.56Å; Y454-F458 HydrophobicContact CE1-CD2 4.22Å; Y454-F458 AromaticContact CE2-CD2 3.56Å; Y454-F458 HydrophobicContact CE2-CD2 3.56Å; Y454-F458 AromaticContact CE2-CE2 3.22Å; Y454-F458 HydrophobicContact CE2-CE2 3.22Å; Y454-F458 HydrophobicContact CE2-CZ 4.32Å; Y454-F458 HydrophobicContact CG-CD2 4.28Å; Y454-F458 HydrophobicContact CG-CE2 4.42Å; Y454-F458 AromaticContact CZ-CD2 3.75Å; Y454-F458 AromaticContact CZ-CE2 3.85Å; Y454-F458 WeakPolarHBondContact O-CD2 3.04Å; Y454-F458 PolarHBondContact O-N 3.42Å |
| 455 | W | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | -175.4 | -158.9 | -109.9 | 0 | 0 | 0 | 111.2 | F369 L398 I402 P444 F446 T451 Y457 F458 M459 V537 T538 | F369-W455 HydrophobicContact CE2-CE3 4.27Å; F369-W455 HydrophobicContact CE2-CH2 4.38Å; F369-W455 AromaticContact CE2-CZ3 3.97Å; F369-W455 HydrophobicContact CE2-CZ3 3.97Å; F369-W455 HydrophobicContact CZ-CD2 4.02Å; F369-W455 AromaticContact CZ-CE3 3.77Å; F369-W455 HydrophobicContact CZ-CE3 3.77Å; F369-W455 AromaticContact CZ-CH2 3.9Å; F369-W455 HydrophobicContact CZ-CH2 3.9Å; F369-W455 HydrophobicContact CZ-CZ2 4.16Å; F369-W455 AromaticContact CZ-CZ3 3.7Å; F369-W455 HydrophobicContact CZ-CZ3 3.7Å; L398-W455 HydrophobicContact CB-CZ2 4.25Å; L398-W455 HydrophobicContact CD1-CZ2 4.16Å; I402-W455 HydrophobicContact CD1-CZ3 4.49Å; P444-W455 HydrophobicContact CG-CZ3 4.29Å; F446-W455 AromaticContact CE1-CD2 3.83Å; F446-W455 HydrophobicContact CE1-CD2 3.83Å; F446-W455 AromaticContact CE1-CE3 3.87Å; F446-W455 HydrophobicContact CE1-CE3 3.87Å; F446-W455 HydrophobicContact CE1-CG 4.25Å; F446-W455 HydrophobicContact CE1-CZ2 4.49Å; F446-W455 HydrophobicContact CE1-CZ3 4.24Å; F446-W455 HydrophobicContact CZ-CD2 4.26Å; F446-W455 HydrophobicContact CZ-CE3 4.03Å; F446-W455 HydrophobicContact CZ-CH2 4.01Å; F446-W455 HydrophobicContact CZ-CZ2 4.2Å; F446-W455 AromaticContact CZ-CZ3 3.91Å; F446-W455 HydrophobicContact CZ-CZ3 3.91Å; T451-W455 VanDerWaalsContact O-CB 3.27Å; T451-W455 WeakPolarHBondContact O-CB 3.42Å; T451-W455 PolarHBondContact O-N 3.35Å; W455-Y457 VanDerWaalsContact C-N 3.33Å; W455-Y457 PolarHBondContact O-N 3.28Å; W455-F458 PolarHBondContact O-N 3.43Å; W455-M459 HydrophobicContact CG-SD 4.3Å; W455-M459 PolarHBondContact NE1-SD 3.06Å; W455-M459 WeakPolarHBondContact O-CB 3.14Å; W455-M459 VanDerWaalsContact O-CG 3.31Å; W455-M459 WeakPolarHBondContact O-CG 2.78Å; W455-M459 PolarHBondContact O-N 3.3Å; W455-V537 HydrophobicContact CB-CG1 3.68Å; W455-V537 HydrophobicContact CG-CG1 3.88Å; W455-T538 PolarHBondContact NE1-OG1 2.94Å |
| 456 | L | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 174.4 | 173 | 56 | 0 | 0 | 0 | 112.4 | T452 Y454 F458 M459 K460 A541 V545 | T452-L456 VanDerWaalsContact O-CB 3.28Å; T452-L456 WeakPolarHBondContact O-CB 3.44Å; T452-L456 PolarHBondContact O-N 2.79Å; Y454-L456 PolarHBondContact O-N 3.06Å; L456-F458 PolarHBondContact O-N 2.91Å; L456-M459 PolarHBondContact O-N 3.14Å; L456-K460 HydrophobicContact CD1-CD 4.11Å; L456-K460 HydrophobicContact CD1-CG 4.06Å; L456-K460 HydrophobicContact CG-CD 4.46Å; L456-K460 WeakPolarHBondContact O-CG 3.37Å; L456-K460 PolarHBondContact O-N 3.46Å; L456-A541 HydrophobicContact CB-CB 4.13Å; L456-A541 HydrophobicContact CD1-CB 4.08Å; L456-V545 HydrophobicContact CD1-CG2 4.14Å |
| 457 | Y | 98.6 | Very high | 97.6 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 43% | 0.427 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.7 | -48.8 | -179.8 | 174.8 | -95.5 | 0 | 0 | 0 | 111.3 | T453 Y454 W455 K460 Q461 | T453-Y457 WeakPolarHBondContact O-CB 3.33Å; T453-Y457 PolarHBondContact O-N 3.38Å; Y454-Y457 WeakPolarHBondContact O-CB 3.26Å; Y454-Y457 PolarHBondContact O-N 3.24Å; W455-Y457 VanDerWaalsContact C-N 3.33Å; W455-Y457 PolarHBondContact O-N 3.28Å; Y457-K460 PolarHBondContact O-N 3.44Å; Y457-Q461 HydrophobicContact CD1-CG 4.44Å; Y457-Q461 HydrophobicContact CE1-CG 4.05Å; Y457-Q461 WeakPolarHBondContact O-CG 3.19Å; Y457-Q461 PolarHBondContact O-N 2.93Å; Y457-Q461 VanDerWaalsContact O-N 3.09Å |
| 458 | F | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.1 | -33.2 | -178.7 | -73.9 | -67.6 | 0 | 0 | 0 | 113.4 | F369 P411 P412 H415 Y454 W455 L456 K460 Q461 L462 | F369-F458 HydrophobicContact CB-CB 4.32Å; F369-F458 HydrophobicContact CD1-CB 3.59Å; F369-F458 HydrophobicContact CD2-CB 3.71Å; F369-F458 HydrophobicContact CD2-CG 4.17Å; F369-F458 HydrophobicContact CE1-CB 3.7Å; F369-F458 HydrophobicContact CE2-CB 3.81Å; F369-F458 HydrophobicContact CE2-CG 4.41Å; F369-F458 HydrophobicContact CG-CB 3.6Å; F369-F458 HydrophobicContact CG-CG 4.34Å; F369-F458 HydrophobicContact CZ-CB 3.8Å; P411-F458 HydrophobicContact CB-CE1 4.12Å; P411-F458 HydrophobicContact CB-CZ 4.36Å; P412-F458 VanDerWaalsContact CA-CZ 3.45Å; P412-F458 HydrophobicContact CB-CD1 4.47Å; P412-F458 HydrophobicContact CB-CE1 4.28Å; P412-F458 HydrophobicContact CB-CE2 4.34Å; P412-F458 HydrophobicContact CB-CZ 4.22Å; P412-F458 HydrophobicContact CG-CD1 3.77Å; P412-F458 HydrophobicContact CG-CE1 3.66Å; P412-F458 HydrophobicContact CG-CG 4.28Å; P412-F458 HydrophobicContact CG-CZ 4.09Å; H415-F458 HydrophobicContact CB-CE2 3.88Å; H415-F458 HydrophobicContact CB-CZ 3.86Å; H415-F458 AromaticContact CG-CZ 3.8Å; H415-F458 AromaticContact ND1-CZ 3.85Å; Y454-F458 HydrophobicContact CD1-CD2 4.47Å; Y454-F458 AromaticContact CD2-CD2 3.84Å; Y454-F458 HydrophobicContact CD2-CD2 3.84Å; Y454-F458 AromaticContact CD2-CE2 3.56Å; Y454-F458 HydrophobicContact CD2-CE2 3.56Å; Y454-F458 HydrophobicContact CE1-CD2 4.22Å; Y454-F458 AromaticContact CE2-CD2 3.56Å; Y454-F458 HydrophobicContact CE2-CD2 3.56Å; Y454-F458 AromaticContact CE2-CE2 3.22Å; Y454-F458 HydrophobicContact CE2-CE2 3.22Å; Y454-F458 HydrophobicContact CE2-CZ 4.32Å; Y454-F458 HydrophobicContact CG-CD2 4.28Å; Y454-F458 HydrophobicContact CG-CE2 4.42Å; Y454-F458 AromaticContact CZ-CD2 3.75Å; Y454-F458 AromaticContact CZ-CE2 3.85Å; Y454-F458 WeakPolarHBondContact O-CD2 3.04Å; Y454-F458 PolarHBondContact O-N 3.42Å; W455-F458 PolarHBondContact O-N 3.43Å; L456-F458 PolarHBondContact O-N 2.91Å; F458-K460 VanDerWaalsContact C-N 3.34Å; F458-K460 PolarHBondContact O-N 2.75Å; F458-Q461 PolarHBondContact O-N 3.13Å; F458-L462 WeakPolarHBondContact O-CB 3.39Å; F458-L462 PolarHBondContact O-N 2.96Å |
| 459 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 170.5 | -77.1 | -177.2 | 60.8 | 0 | 0 | 112.3 | F369 L398 W455 L456 L462 H463 Y468 I471 T538 A541 L542 V545 | F369-M459 HydrophobicContact CE1-CG 4Å; L398-M459 HydrophobicContact CD1-CG 4.21Å; W455-M459 HydrophobicContact CG-SD 4.3Å; W455-M459 PolarHBondContact NE1-SD 3.06Å; W455-M459 WeakPolarHBondContact O-CB 3.14Å; W455-M459 VanDerWaalsContact O-CG 3.31Å; W455-M459 WeakPolarHBondContact O-CG 2.78Å; W455-M459 PolarHBondContact O-N 3.3Å; L456-M459 PolarHBondContact O-N 3.14Å; M459-L462 PolarHBondContact O-N 3.32Å; M459-H463 WeakPolarHBondContact O-CB 3.16Å; M459-H463 PolarHBondContact O-N 3.13Å; M459-Y468 PolarHBondContact O-OH 2.95Å; M459-I471 HydrophobicContact CE-CD1 4.44Å; M459-I471 HydrophobicContact CE-CG1 3.72Å; M459-T538 HydrophobicContact CE-CG2 4.27Å; M459-T538 HydrophobicContact SD-CG2 4.32Å; M459-A541 HydrophobicContact CE-CB 3.9Å; M459-A541 HydrophobicContact SD-CB 3.42Å; M459-A541 WeakPolarHBondContact SD-CB 3.29Å; M459-L542 HydrophobicContact CE-CD2 3.76Å; M459-L542 HydrophobicContact CE-CG 3.81Å; M459-V545 HydrophobicContact CB-CG2 4.22Å |
| 460 | K | 98.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 173.5 | -79.1 | -178.4 | 172.7 | 177.1 | 0 | 111.8 | L456 Y457 F458 L462 H463 E464 V545 | L456-K460 HydrophobicContact CD1-CD 4.11Å; L456-K460 HydrophobicContact CD1-CG 4.06Å; L456-K460 HydrophobicContact CG-CD 4.46Å; L456-K460 WeakPolarHBondContact O-CG 3.37Å; L456-K460 PolarHBondContact O-N 3.46Å; Y457-K460 PolarHBondContact O-N 3.44Å; F458-K460 VanDerWaalsContact C-N 3.34Å; F458-K460 PolarHBondContact O-N 2.75Å; K460-L462 VanDerWaalsContact C-N 3.29Å; K460-L462 PolarHBondContact O-N 3.18Å; K460-H463 PolarHBondContact O-N 2.97Å; K460-H463 VanDerWaalsContact O-N 3.11Å; K460-E464 WeakPolarHBondContact O-CG 3.33Å; K460-E464 PolarHBondContact O-N 3.22Å; K460-V545 HydrophobicContact CG-CG2 3.72Å |
| 461 | Q | 98.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 38 Ų | 38 | 29% | 0.285 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.6 | -72.6 | -71.7 | -64.5 | 0 | 0 | 112.6 | Y457 F458 E464 | Y457-Q461 HydrophobicContact CD1-CG 4.44Å; Y457-Q461 HydrophobicContact CE1-CG 4.05Å; Y457-Q461 WeakPolarHBondContact O-CG 3.19Å; Y457-Q461 PolarHBondContact O-N 2.93Å; Y457-Q461 VanDerWaalsContact O-N 3.09Å; F458-Q461 PolarHBondContact O-N 3.13Å; Q461-E464 PolarHBondContact NE2-OE2 3.48Å |
| 462 | L | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 173 | -179.4 | 60.8 | 0 | 0 | 0 | 110.8 | F369 I371 L398 F458 M459 K460 E464 K465 L466 Y468 | F369-L462 HydrophobicContact CD1-CB 4.4Å; F369-L462 HydrophobicContact CD1-CD2 4.4Å; I371-L462 HydrophobicContact CD1-CD1 4.49Å; I371-L462 HydrophobicContact CG1-CD1 4.36Å; L398-L462 HydrophobicContact CD2-CD2 3.99Å; F458-L462 WeakPolarHBondContact O-CB 3.39Å; F458-L462 PolarHBondContact O-N 2.96Å; M459-L462 PolarHBondContact O-N 3.32Å; K460-L462 VanDerWaalsContact C-N 3.29Å; K460-L462 PolarHBondContact O-N 3.18Å; L462-E464 VanDerWaalsContact C-N 3.29Å; L462-E464 PolarHBondContact O-N 2.91Å; L462-K465 CarbonylContact O-C 3.59Å; L462-K465 PolarHBondContact O-N 3.44Å; L462-L466 HydrophobicContact CD1-CB 4.28Å; L462-L466 HydrophobicContact CD1-CD2 4.37Å; L462-L466 PolarHBondContact O-N 2.8Å; L462-Y468 HydrophobicContact CB-CE1 4.27Å; L462-Y468 HydrophobicContact CD2-CE1 4.15Å; L462-Y468 HydrophobicContact CG-CD1 4.4Å; L462-Y468 HydrophobicContact CG-CE1 3.99Å |
| 463 | H | 97.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -35.9 | -179.2 | -168.5 | 74.2 | 0 | 0 | 0 | 113 | M459 K460 K465 L466 Y468 V545 L546 | M459-H463 WeakPolarHBondContact O-CB 3.16Å; M459-H463 PolarHBondContact O-N 3.13Å; K460-H463 PolarHBondContact O-N 2.97Å; K460-H463 VanDerWaalsContact O-N 3.11Å; H463-K465 PolarHBondContact O-N 3.2Å; H463-L466 WeakPolarHBondContact CA-O 3.26Å; H463-L466 CarbonylContact O-C 3.59Å; H463-L466 VanDerWaalsContact O-C 3.3Å; H463-L466 PolarHBondContact O-N 2.87Å; H463-Y468 HydrophobicContact CB-CD1 4.38Å; H463-Y468 HydrophobicContact CB-CE1 3.64Å; H463-Y468 PolarHBondContact CE1-O 3.2Å; H463-Y468 AromaticContact ND1-CD1 3.89Å; H463-Y468 AromaticContact ND1-CD2 3.88Å; H463-Y468 AromaticContact ND1-CE1 3.85Å; H463-Y468 AromaticContact ND1-CE2 3.83Å; H463-Y468 AromaticContact ND1-CG 3.9Å; H463-Y468 AromaticContact ND1-CZ 3.82Å; H463-Y468 PolarHBondContact ND1-N 3.47Å; H463-Y468 PolarHBondContact ND1-O 2.85Å; H463-V545 HydrophobicContact CB-CG1 3.62Å; H463-L546 VanDerWaalsContact CE1-CD2 3.49Å; H463-L546 WeakPolarHBondContact CE1-CD2 3.21Å |
| 464 | E | 96.3 | Very high | 97.9 | Very high | 142 Ų | 142 | 32.5 Ų | 32.5 | 66% | 0.664 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -59.3 | -28.8 | 173.8 | -74.1 | 171.5 | -173 | 0 | 0 | 113.1 | K460 Q461 L462 | K460-E464 WeakPolarHBondContact O-CG 3.33Å; K460-E464 PolarHBondContact O-N 3.22Å; Q461-E464 PolarHBondContact NE2-OE2 3.48Å; L462-E464 VanDerWaalsContact C-N 3.29Å; L462-E464 PolarHBondContact O-N 2.91Å |
| 465 | K | 95.1 | Very high | 97.8 | Very high | 117 Ų | 117 | 32.7 Ų | 32.7 | 51% | 0.509 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -99.5 | -26.2 | -179.9 | -60.5 | 173.5 | -172.3 | 169.9 | 0 | 112.7 | I371 D380 L462 H463 | I371-K465 HydrophobicContact CD1-CB 4.02Å; D380-K465 WeakPolarHBondContact CB-O 3.27Å; L462-K465 CarbonylContact O-C 3.59Å; L462-K465 PolarHBondContact O-N 3.44Å; H463-K465 PolarHBondContact O-N 3.2Å |
| 466 | L | 96.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -140.8 | 94.3 | -174.1 | -175.8 | 69.8 | 0 | 0 | 0 | 107.6 | L358 Y362 I371 L379 V383 P396 L462 H463 Y468 | L358-L466 HydrophobicContact CD1-CD1 4.32Å; L358-L466 HydrophobicContact CD1-CD2 4.1Å; Y362-L466 HydrophobicContact CE2-CD2 4.24Å; I371-L466 HydrophobicContact CD1-CB 4.12Å; L379-L466 HydrophobicContact CD2-CD1 4.13Å; L379-L466 HydrophobicContact CG-CD1 3.98Å; V383-L466 HydrophobicContact CB-CD1 4.07Å; V383-L466 HydrophobicContact CG1-CD1 4.24Å; V383-L466 HydrophobicContact CG2-CD1 3.65Å; P396-L466 HydrophobicContact CB-CD2 4Å; P396-L466 HydrophobicContact CG-CD2 4.01Å; L462-L466 HydrophobicContact CD1-CB 4.28Å; L462-L466 HydrophobicContact CD1-CD2 4.37Å; L462-L466 PolarHBondContact O-N 2.8Å; H463-L466 WeakPolarHBondContact CA-O 3.26Å; H463-L466 CarbonylContact O-C 3.59Å; H463-L466 VanDerWaalsContact O-C 3.3Å; H463-L466 PolarHBondContact O-N 2.87Å; L466-Y468 WeakPolarHBondContact O-CD1 3.47Å; L466-Y468 PolarHBondContact O-N 2.79Å |
| 467 | P | 95.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 31 Ų | 31 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | trans | -74.4 | 73.5 | -174.3 | 29.6 | -33.4 | 0 | 0 | 0 | 111.1 | V383 A384 | V383-P467 HydrophobicContact CG1-CG 4.09Å; A384-P467 HydrophobicContact CB-CG 4.34Å | ||
| 468 | Y | 97.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -75.5 | 155.3 | -179.3 | 58 | -104.8 | 0 | 0 | 0 | 112.5 | T394 P396 M459 L462 H463 L466 G470 I471 L542 V545 | T394-Y468 CarbonylContact O-C 3.59Å; T394-Y468 WeakPolarHBondContact O-CA 3.16Å; T394-Y468 WeakPolarHBondContact O-CB 3.25Å; P396-Y468 HydrophobicContact CG-CD1 3.9Å; P396-Y468 HydrophobicContact CG-CG 3.95Å; M459-Y468 PolarHBondContact O-OH 2.95Å; L462-Y468 HydrophobicContact CB-CE1 4.27Å; L462-Y468 HydrophobicContact CD2-CE1 4.15Å; L462-Y468 HydrophobicContact CG-CD1 4.4Å; L462-Y468 HydrophobicContact CG-CE1 3.99Å; H463-Y468 HydrophobicContact CB-CD1 4.38Å; H463-Y468 HydrophobicContact CB-CE1 3.64Å; H463-Y468 PolarHBondContact CE1-O 3.2Å; H463-Y468 AromaticContact ND1-CD1 3.89Å; H463-Y468 AromaticContact ND1-CD2 3.88Å; H463-Y468 AromaticContact ND1-CE1 3.85Å; H463-Y468 AromaticContact ND1-CE2 3.83Å; H463-Y468 AromaticContact ND1-CG 3.9Å; H463-Y468 AromaticContact ND1-CZ 3.82Å; H463-Y468 PolarHBondContact ND1-N 3.47Å; H463-Y468 PolarHBondContact ND1-O 2.85Å; L466-Y468 WeakPolarHBondContact O-CD1 3.47Å; L466-Y468 PolarHBondContact O-N 2.79Å; Y468-G470 WeakPolarHBondContact CD2-O 3.44Å; Y468-I471 HydrophobicContact CD1-CD1 4.41Å; Y468-I471 HydrophobicContact CD2-CD1 3.91Å; Y468-I471 HydrophobicContact CD2-CG1 4.37Å; Y468-I471 HydrophobicContact CE1-CD1 4.19Å; Y468-I471 HydrophobicContact CE2-CD1 3.67Å; Y468-I471 HydrophobicContact CE2-CG1 3.97Å; Y468-I471 HydrophobicContact CG-CD1 4.29Å; Y468-L542 HydrophobicContact CD2-CD2 4.44Å; Y468-L542 HydrophobicContact CE2-CD2 3.74Å; Y468-V545 HydrophobicContact CE2-CG1 4.26Å | ||
| 469 | G | 97.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 12% | 0.124 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -99.8 | -12.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | T394 L546 | T394-G469 PolarHBondContact O-N 3.14Å; G469-L546 VanDerWaalsContact O-CD1 3.27Å; G469-L546 WeakPolarHBondContact O-CD1 3.47Å |
| 470 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -162.4 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P396 Y468 F552 | P396-G470 WeakPolarHBondContact CD-O 3.22Å; Y468-G470 WeakPolarHBondContact CD2-O 3.44Å; G470-F552 CarbonylContact C-O 3.46Å; G470-F552 VanDerWaalsContact CA-O 3.23Å; G470-F552 WeakPolarHBondContact CA-O 3.13Å | ||
| 471 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.1 | 177 | -68.2 | -62.7 | 0 | 0 | 0 | 110 | P396 L398 M459 Y468 I473 T538 L542 F552 V553 L554 | P396-I471 HydrophobicContact CG-CD1 3.93Å; L398-I471 HydrophobicContact CB-CG2 4.47Å; L398-I471 HydrophobicContact CD1-CD1 3.99Å; L398-I471 HydrophobicContact CD1-CG2 3.96Å; L398-I471 HydrophobicContact CG-CD1 4.43Å; L398-I471 HydrophobicContact CG-CG2 4.26Å; M459-I471 HydrophobicContact CE-CD1 4.44Å; M459-I471 HydrophobicContact CE-CG1 3.72Å; Y468-I471 HydrophobicContact CD1-CD1 4.41Å; Y468-I471 HydrophobicContact CD2-CD1 3.91Å; Y468-I471 HydrophobicContact CD2-CG1 4.37Å; Y468-I471 HydrophobicContact CE1-CD1 4.19Å; Y468-I471 HydrophobicContact CE2-CD1 3.67Å; Y468-I471 HydrophobicContact CE2-CG1 3.97Å; Y468-I471 HydrophobicContact CG-CD1 4.29Å; I471-I473 HydrophobicContact CG2-CG2 3.78Å; I471-T538 HydrophobicContact CB-CG2 3.98Å; I471-T538 HydrophobicContact CG1-CG2 4.46Å; I471-T538 HydrophobicContact CG2-CG2 3.76Å; I471-L542 HydrophobicContact CB-CD1 4.38Å; I471-L542 HydrophobicContact CG1-CD1 4.41Å; I471-L542 HydrophobicContact CG1-CD2 3.88Å; I471-L542 HydrophobicContact CG1-CG 4.25Å; I471-F552 PolarHBondContact N-O 3Å; I471-V553 CarbonylContact O-C 3.48Å; I471-V553 VanDerWaalsContact O-CA 3.31Å; I471-V553 WeakPolarHBondContact O-CA 3.36Å; I471-L554 PolarHBondContact O-N 3.4Å |
| 472 | W | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.1 | 165.8 | 168.1 | 19.6 | 0 | 0 | 0 | 107.9 | F357 D359 V395 P396 I397 L398 D474 L554 W569 H630 | F357-W472 HydrophobicContact CD1-CB 4.17Å; F357-W472 HydrophobicContact CD1-CD2 4.29Å; F357-W472 AromaticContact CD1-CE3 3.85Å; F357-W472 HydrophobicContact CD1-CE3 3.85Å; F357-W472 HydrophobicContact CD1-CG 4.46Å; F357-W472 HydrophobicContact CE1-CB 4.08Å; F357-W472 HydrophobicContact CE1-CG 4.47Å; D359-W472 HydrophobicContact CB-CZ3 4.11Å; D359-W472 WeakPolarHBondContact OD2-CH2 3.49Å; V395-W472 HydrophobicContact CG1-CB 4.05Å; P396-W472 PolarHBondContact O-N 3.48Å; I397-W472 CarbonylContact C-O 3.3Å; I397-W472 VanDerWaalsContact CA-O 3.23Å; I397-W472 WeakPolarHBondContact CA-O 3.4Å; I397-W472 HydrophobicContact CB-CB 4.49Å; I397-W472 HydrophobicContact CB-CD2 3.82Å; I397-W472 HydrophobicContact CB-CE3 3.52Å; I397-W472 HydrophobicContact CB-CG 4.28Å; I397-W472 HydrophobicContact CB-CZ3 3.98Å; I397-W472 HydrophobicContact CD1-CD2 3.83Å; I397-W472 HydrophobicContact CD1-CE3 3.9Å; I397-W472 HydrophobicContact CD1-CH2 3.6Å; I397-W472 HydrophobicContact CD1-CZ2 3.5Å; I397-W472 HydrophobicContact CD1-CZ3 3.79Å; I397-W472 HydrophobicContact CG1-CD2 3.57Å; I397-W472 HydrophobicContact CG1-CE3 3.76Å; I397-W472 HydrophobicContact CG1-CG 3.95Å; I397-W472 HydrophobicContact CG1-CH2 4.38Å; I397-W472 HydrophobicContact CG1-CZ2 4.22Å; I397-W472 HydrophobicContact CG1-CZ3 4.16Å; L398-W472 PolarHBondContact N-O 3.4Å; W472-D474 WeakPolarHBondContact CZ2-OD2 3.39Å; W472-L554 CarbonylContact C-O 3.1Å; W472-L554 WeakPolarHBondContact CA-O 3.46Å; W472-L554 HydrophobicContact CB-CB 4.35Å; W472-L554 HydrophobicContact CB-CD2 4.42Å; W472-L554 HydrophobicContact CG-CD2 4.04Å; W472-W569 AromaticContact CD1-CH2 3.56Å; W472-W569 AromaticContact CD1-CZ3 3.59Å; W472-W569 AromaticContact CE2-CH2 3.86Å; W472-W569 HydrophobicContact CZ2-CH2 4.36Å; W472-W569 HydrophobicContact CZ2-CZ2 4.13Å; W472-W569 AromaticContact NE1-CH2 2.85Å; W472-W569 AromaticContact NE1-CZ2 3.47Å; W472-W569 AromaticContact NE1-CZ3 3.35Å; W472-H630 AromaticContact CH2-NE2 3.64Å |
| 473 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.9 | 172.2 | 58 | 179.8 | 0 | 0 | 0 | 110.2 | L398 I471 E534 T538 V553 L554 R556 | L398-I473 WeakPolarHBondContact O-CA 3.46Å; I471-I473 HydrophobicContact CG2-CG2 3.78Å; I473-E534 HydrophobicContact CD1-CB 4.36Å; I473-E534 HydrophobicContact CD1-CG 3.91Å; I473-E534 HydrophobicContact CG2-CG 4.38Å; I473-T538 HydrophobicContact CG2-CG2 4.03Å; I473-V553 HydrophobicContact CD1-CG1 3.98Å; I473-V553 HydrophobicContact CG1-CG1 4.14Å; I473-L554 WeakPolarHBondContact CG1-O 3.45Å; I473-L554 PolarHBondContact N-O 3.16Å; I473-R556 PolarHBondContact O-N 2.92Å |
| 474 | D | 98.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 170.4 | -176.7 | -155 | -5.5 | 0 | 0 | 0 | 111.2 | I397 L398 D399 S400 W472 N476 R556 W569 | I397-D474 HydrophobicContact CD1-CB 3.61Å; I397-D474 HydrophobicContact CG1-CB 3.93Å; L398-D474 PolarHBondContact O-N 3.41Å; L398-D474 VanDerWaalsContact O-N 3.13Å; D399-D474 WeakPolarHBondContact CA-O 3.36Å; S400-D474 PolarHBondContact N-O 2.88Å; W472-D474 WeakPolarHBondContact CZ2-OD2 3.39Å; D474-N476 PolarHBondContact O-N 2.89Å; D474-N476 VanDerWaalsContact O-N 3.08Å; D474-R556 WeakPolarHBondContact OD1-CD 3.33Å; D474-R556 IonicContact OD1-CZ 3.08Å; D474-R556 IonicContact OD1-NE 3.97Å; D474-R556 PolarHBondContact OD1-NE 2.76Å; D474-R556 IonicContact OD1-NH1 3.66Å; D474-R556 PolarHBondContact OD1-NH1 3.48Å; D474-R556 IonicContact OD1-NH2 3.03Å; D474-R556 IonicContact OD2-NH1 3.06Å; D474-W569 HydrophobicContact CB-CH2 4.43Å |
| 475 | M | 98 | Very high | 97.3 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 57.2 | 25.3 | -177.2 | -55 | -59.5 | -78.7 | 0 | 0 | 113 | D399 S400 V436 S479 F481 R556 | D399-M475 HydrophobicContact CB-CB 4.4Å; D399-M475 HydrophobicContact CB-CG 4.46Å; S400-M475 PolarHBondContact OG-O 2.72Å; V436-M475 HydrophobicContact CG1-CE 4.11Å; M475-S479 WeakPolarHBondContact CA-OG 3.41Å; M475-S479 PolarHBondContact O-N 2.9Å; M475-S479 VanDerWaalsContact O-N 3.11Å; M475-F481 HydrophobicContact CE-CE1 3.61Å; M475-F481 HydrophobicContact CE-CZ 4.04Å; M475-R556 PolarHBondContact SD-NH2 2.95Å |
| 476 | N | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 14.7 | -170.9 | 66 | -25.4 | 0 | 0 | 0 | 114.1 | D474 Y530 G531 E534 S555 S557 | D474-N476 PolarHBondContact O-N 2.89Å; D474-N476 VanDerWaalsContact O-N 3.08Å; N476-Y530 HydrophobicContact CB-CE1 4.47Å; N476-Y530 WeakPolarHBondContact O-CD1 3.39Å; N476-G531 WeakPolarHBondContact O-CA 3.15Å; N476-G531 PolarHBondContact O-N 2.91Å; N476-E534 WeakPolarHBondContact CB-OE2 3.38Å; N476-S555 PolarHBondContact ND2-OG 3.26Å; N476-S557 WeakPolarHBondContact O-CB 3.07Å; N476-S557 WeakPolarHBondContact OD1-CB 3.45Å; N476-S557 PolarHBondContact OD1-N 2.7Å |
| 477 | E | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 42.9 | 159.4 | -54.1 | 76.9 | -163.7 | 0 | 0 | 112 | A232 Y245 S479 H527 R556 S557 | A232-E477 HydrophobicContact CB-CB 3.95Å; A232-E477 HydrophobicContact CB-CG 3.82Å; Y245-E477 VanDerWaalsContact CB-OE1 3.29Å; Y245-E477 WeakPolarHBondContact CB-OE1 3.43Å; Y245-E477 HydrophobicContact CD1-CG 4.32Å; Y245-E477 VanDerWaalsContact CD1-OE1 3.31Å; Y245-E477 WeakPolarHBondContact CD1-OE1 3.3Å; E477-S479 PolarHBondContact O-N 2.76Å; E477-S479 PolarHBondContact OE2-OG 2.92Å; E477-H527 PolarHBondContact O-CE1 2.85Å; E477-R556 VanDerWaalsContact OE1-C 3.32Å; E477-R556 WeakPolarHBondContact OE1-CB 3.45Å; E477-R556 WeakPolarHBondContact OE1-CG 3.45Å; E477-R556 IonicContact OE1-NE 3.13Å; E477-R556 PolarHBondContact OE1-NE 2.6Å; E477-R556 IonicContact OE2-CZ 2.9Å; E477-R556 IonicContact OE2-NE 3.98Å; E477-R556 PolarHBondContact OE2-NE 3.24Å; E477-R556 VanDerWaalsContact OE2-NE 3.11Å; E477-R556 IonicContact OE2-NH2 3.58Å; E477-R556 PolarHBondContact OE2-NH2 2.82Å; E477-S557 WeakPolarHBondContact OE1-CA 3.46Å; E477-S557 VanDerWaalsContact OE1-CB 3.29Å; E477-S557 WeakPolarHBondContact OE1-CB 3.04Å; E477-S557 PolarHBondContact OE1-N 3.1Å |
| 478 | P | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | -10.5 | 79.6 | -125.9 | 26.7 | -40.6 | 0 | 0 | 0 | 114.4 | W443 N480 I512 Y530 | W443-P478 HydrophobicContact CG-CB 4.39Å; P478-N480 PolarHBondContact O-N 2.92Å; P478-I512 HydrophobicContact CB-CD1 4.48Å; P478-I512 HydrophobicContact CG-CD1 4.44Å; P478-I512 HydrophobicContact CG-CG1 4.29Å; P478-Y530 HydrophobicContact CB-CD1 4.22Å; P478-Y530 HydrophobicContact CB-CE1 4.17Å; P478-Y530 HydrophobicContact CB-CG 4.41Å; P478-Y530 HydrophobicContact CG-CD1 4.35Å; P478-Y530 HydrophobicContact CG-CG 4.19Å | |
| 479 | S | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 138.4 | -175.7 | -48.1 | 0 | 0 | 0 | 0 | 111.1 | D234 V436 W443 M475 E477 R556 | D234-S479 WeakPolarHBondContact CB-OG 3.24Å; V436-S479 WeakPolarHBondContact CG1-O 2.99Å; W443-S479 VanDerWaalsContact CZ2-O 3.26Å; W443-S479 WeakPolarHBondContact CZ2-O 3.43Å; M475-S479 WeakPolarHBondContact CA-OG 3.41Å; M475-S479 PolarHBondContact O-N 2.9Å; M475-S479 VanDerWaalsContact O-N 3.11Å; E477-S479 PolarHBondContact O-N 2.76Å; E477-S479 PolarHBondContact OE2-OG 2.92Å; S479-R556 PolarHBondContact OG-NH2 2.79Å |
| 480 | N | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -141 | 128 | 179.8 | -171.3 | 0.9 | 0 | 0 | 0 | 109.5 | A435 W443 P478 L482 G484 K510 T511 | A435-N480 PolarHBondContact N-OD1 2.89Å; A435-N480 PolarHBondContact O-OD1 2.65Å; A435-N480 VanDerWaalsContact O-OD1 3.13Å; W443-N480 HydrophobicContact CH2-CB 4.17Å; W443-N480 HydrophobicContact CZ2-CB 4.09Å; P478-N480 PolarHBondContact O-N 2.92Å; N480-L482 WeakPolarHBondContact CB-O 3.4Å; N480-L482 PolarHBondContact ND2-O 3.4Å; N480-L482 PolarHBondContact O-N 2.87Å; N480-L482 PolarHBondContact OD1-N 3.24Å; N480-L482 VanDerWaalsContact OD1-N 3.11Å; N480-G484 PolarHBondContact ND2-O 2.9Å; N480-K510 PolarHBondContact N-O 3.47Å; N480-K510 CarbonylContact O-C 3.6Å; N480-K510 VanDerWaalsContact O-CA 3.23Å; N480-K510 WeakPolarHBondContact O-CA 3.29Å; N480-T511 PolarHBondContact ND2-O 2.87Å | ||
| 481 | F | 97.6 | Very high | 97 | Very high | 84 Ų | 84 | 32.6 Ų | 32.6 | 37% | 0.368 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -72.3 | -10.3 | 175.8 | -60.1 | -20.5 | 0 | 0 | 0 | 112.7 | A435 V436 W437 M475 | A435-F481 WeakPolarHBondContact O-CB 3.07Å; A435-F481 PolarHBondContact O-N 2.55Å; V436-F481 VanDerWaalsContact C-CE2 3.41Å; W437-F481 HydrophobicContact CD2-CE2 4.33Å; W437-F481 AromaticContact CD2-CZ 3.96Å; W437-F481 HydrophobicContact CD2-CZ 3.96Å; W437-F481 HydrophobicContact CE3-CE2 4.33Å; W437-F481 HydrophobicContact CE3-CZ 4.25Å; W437-F481 HydrophobicContact CG-CZ 4.35Å; W437-F481 HydrophobicContact CZ2-CZ 4.36Å; M475-F481 HydrophobicContact CE-CE1 3.61Å; M475-F481 HydrophobicContact CE-CZ 4.04Å |
| 482 | L | 96.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -103.6 | 154.2 | 169.6 | -52.8 | 178.3 | 0 | 0 | 0 | 110.5 | A435 N480 G484 V486 | A435-L482 HydrophobicContact CB-CD1 3.97Å; A435-L482 HydrophobicContact CB-CG 3.88Å; N480-L482 WeakPolarHBondContact CB-O 3.4Å; N480-L482 PolarHBondContact ND2-O 3.4Å; N480-L482 PolarHBondContact O-N 2.87Å; N480-L482 PolarHBondContact OD1-N 3.24Å; N480-L482 VanDerWaalsContact OD1-N 3.11Å; L482-G484 PolarHBondContact O-N 2.68Å; L482-G484 VanDerWaalsContact O-N 3.08Å; L482-V486 HydrophobicContact CD1-CB 4.41Å; L482-V486 HydrophobicContact CD1-CG2 3.72Å |
| 483 | D | 94 | Very high | 96.7 | Very high | 78 Ų | 78 | 38.3 Ų | 38.3 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -78.7 | 92.7 | 169.3 | -71.7 | 11.1 | 0 | 0 | 0 | 109.2 | S485 T508 D509 | D483-S485 PolarHBondContact O-N 3.14Å; D483-T508 CarbonylContact C-O 3.55Å; D483-T508 WeakPolarHBondContact CA-O 3.49Å; D483-D509 WeakPolarHBondContact OD1-CA 3.18Å |
| 484 | G | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | 93 | -82.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N480 L482 C489 T508 T511 I512 C513 | N480-G484 PolarHBondContact ND2-O 2.9Å; L482-G484 PolarHBondContact O-N 2.68Å; L482-G484 VanDerWaalsContact O-N 3.08Å; G484-C489 WeakPolarHBondContact CA-SG 3.15Å; G484-T508 PolarHBondContact N-O 3.39Å; G484-T508 VanDerWaalsContact N-O 3.17Å; G484-T511 WeakPolarHBondContact CA-O 3.32Å; G484-T511 PolarHBondContact N-O 2.82Å; G484-I512 WeakPolarHBondContact O-CA 3.43Å; G484-C513 PolarHBondContact O-N 3.42Å |
| 485 | S | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | trans | -147.5 | 167.3 | -178.1 | 93.3 | 0 | 0 | 0 | 0 | 111.9 | E433 D483 D487 G488 | E433-S485 CarbonylContact O-C 3.47Å; E433-S485 WeakPolarHBondContact O-CA 3.46Å; E433-S485 VanDerWaalsContact O-CB 3.28Å; E433-S485 WeakPolarHBondContact O-CB 3.34Å; D483-S485 PolarHBondContact O-N 3.14Å; S485-D487 PolarHBondContact O-N 2.91Å; S485-D487 PolarHBondContact OG-N 3.05Å; S485-D487 VanDerWaalsContact OG-N 3.17Å; S485-G488 PolarHBondContact O-N 3.27Å; S485-G488 PolarHBondContact OG-N 3.36Å; S485-G488 VanDerWaalsContact OG-N 3.14Å; S485-G488 PolarHBondContact OG-O 3.44Å | ||
| 486 | V | 97.2 | Very high | 96.5 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -37.7 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | E433 I440 L482 G488 | E433-V486 HydrophobicContact CB-CB 4.19Å; E433-V486 HydrophobicContact CB-CG2 3.85Å; E433-V486 PolarHBondContact O-N 3.29Å; I440-V486 HydrophobicContact CD1-CG2 3.88Å; I440-V486 HydrophobicContact CG2-CG2 3.85Å; L482-V486 HydrophobicContact CD1-CB 4.41Å; L482-V486 HydrophobicContact CD1-CG2 3.72Å; V486-G488 VanDerWaalsContact C-N 3.31Å |
| 487 | D | 94 | Very high | 96.4 | Very high | 133 Ų | 133 | 49.5 Ų | 49.5 | 71% | 0.711 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4 | 179.8 | -65.8 | -33.4 | 0 | 0 | 0 | 112.3 | S485 | S485-D487 PolarHBondContact O-N 2.91Å; S485-D487 PolarHBondContact OG-N 3.05Å; S485-D487 VanDerWaalsContact OG-N 3.17Å |
| 488 | G | 95.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 52 Ų | 52 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | trans | 73.9 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S485 V486 | S485-G488 PolarHBondContact O-N 3.27Å; S485-G488 PolarHBondContact OG-N 3.36Å; S485-G488 VanDerWaalsContact OG-N 3.14Å; S485-G488 PolarHBondContact OG-O 3.44Å; V486-G488 VanDerWaalsContact C-N 3.31Å | ||
| 489 | C | 96.7 | Very high | 96.1 | Very high | 28 Ų | 28 | 52 Ų | 52 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -104.3 | 147.9 | 177 | -54.8 | 0 | 0 | 0 | 0 | 112 | G484 N495 C513 | G484-C489 WeakPolarHBondContact CA-SG 3.15Å; C489-N495 HydrophobicContact CB-CB 3.98Å; C489-N495 VanDerWaalsContact CB-CG 3.49Å; C489-N495 WeakPolarHBondContact CB-ND2 3.45Å; C489-C513 WeakPolarHBondContact CA-SG 3.49Å; C489-C513 HydrophobicContact CB-CB 3.93Å; C489-C513 WeakPolarHBondContact CB-SG 3.22Å; C489-C513 WeakPolarHBondContact SG-CA 3.26Å; C489-C513 WeakPolarHBondContact SG-CB 3.4Å; C489-C513 CovalentContact SG-SG 2.04Å; C489-C513 PolarHBondContact SG-SG 3.3Å | ||
| 490 | Q | 95.6 | Very high | 95.9 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | trans | -61 | 135.9 | 173.1 | -67.3 | -59.5 | -40 | 0 | 0 | 110.4 | N492 N495 | Q490-N492 PolarHBondContact O-N 3.26Å; Q490-N495 WeakPolarHBondContact O-CB 3.47Å; Q490-N495 PolarHBondContact O-ND2 2.95Å | ||
| 491 | P | 94.8 | Very high | 95.7 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -78.6 | 56.9 | -178.5 | 34.8 | -37.5 | 0 | 0 | 0 | 111.3 | ||
| 492 | N | 96.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -101.1 | -180 | 178.6 | 65.5 | 39 | 0 | 0 | 0 | 111.4 | Q490 F494 N495 R496 D515 | Q490-N492 PolarHBondContact O-N 3.26Å; N492-F494 PolarHBondContact O-N 2.68Å; N492-F494 PolarHBondContact OD1-N 3.23Å; N492-N495 PolarHBondContact OD1-N 2.84Å; N492-R496 PolarHBondContact O-N 2.98Å; N492-D515 PolarHBondContact ND2-OD2 3.2Å |
| 493 | K | 95.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16 | -175.6 | 77.9 | -176.7 | -170.2 | 176.3 | 0 | 114.8 | E194 Q195 P497 | E194-K493 IonicContact OE1-NZ 2.59Å; E194-K493 PolarHBondContact OE1-NZ 3.07Å; E194-K493 IonicContact OE2-NZ 3.31Å; E194-K493 PolarHBondContact OE2-NZ 2.84Å; Q195-K493 PolarHBondContact NE2-O 3.4Å; Q195-K493 VanDerWaalsContact OE1-CB 3.26Å; Q195-K493 PolarHBondContact OE1-O 2.85Å; K493-P497 WeakPolarHBondContact O-CA 3.34Å |
| 494 | F | 97 | Very high | 94.8 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -44.2 | 178.5 | -57.8 | -67.7 | 0 | 0 | 0 | 111.5 | N492 R496 M514 D515 Y524 | N492-F494 PolarHBondContact O-N 2.68Å; N492-F494 PolarHBondContact OD1-N 3.23Å; F494-R496 VanDerWaalsContact C-N 3.34Å; F494-M514 HydrophobicContact CB-CB 4.3Å; F494-M514 WeakPolarHBondContact O-CB 3.46Å; F494-D515 HydrophobicContact CB-CB 3.97Å; F494-D515 HydrophobicContact CD2-CB 4.05Å; F494-D515 HydrophobicContact CG-CB 4.41Å; F494-Y524 HydrophobicContact CB-CD2 4.19Å; F494-Y524 HydrophobicContact CB-CG 4.4Å; F494-Y524 HydrophobicContact CD1-CD1 4.07Å; F494-Y524 HydrophobicContact CD1-CD2 4.34Å; F494-Y524 AromaticContact CD1-CG 3.94Å; F494-Y524 HydrophobicContact CD1-CG 3.94Å; F494-Y524 WeakPolarHBondContact O-CD2 3.32Å |
| 495 | N | 97.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.4 | 176.3 | -63.8 | -46.2 | 0 | 0 | 0 | 112.7 | C489 Q490 N492 T508 M514 D515 | C489-N495 HydrophobicContact CB-CB 3.98Å; C489-N495 VanDerWaalsContact CB-CG 3.49Å; C489-N495 WeakPolarHBondContact CB-ND2 3.45Å; Q490-N495 WeakPolarHBondContact O-CB 3.47Å; Q490-N495 PolarHBondContact O-ND2 2.95Å; N492-N495 PolarHBondContact OD1-N 2.84Å; N495-T508 HydrophobicContact CB-CG2 4.17Å; N495-M514 PolarHBondContact OD1-N 3.06Å; N495-D515 PolarHBondContact ND2-OD1 3.17Å; N495-D515 PolarHBondContact ND2-OD2 3.05Å; N495-D515 PolarHBondContact OD1-N 2.98Å; N495-D515 PolarHBondContact OD1-OD1 2.87Å |
| 496 | R | 95.4 | Very high | 94.1 | Very high | 176 Ų | 176 | 52.3 Ų | 52.3 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -131.1 | 70.6 | 176.2 | -59.8 | -176.4 | -176.8 | -173 | 0.3 | 109 | N492 F494 | N492-R496 PolarHBondContact O-N 2.98Å; F494-R496 VanDerWaalsContact C-N 3.34Å |
| 497 | P | 95.8 | Very high | 94 | Very high | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -61.8 | 150.3 | 178.6 | 29 | -35.2 | 0 | 0 | 0 | 110.6 | K493 Y499 F507 Y524 | K493-P497 WeakPolarHBondContact O-CA 3.34Å; P497-Y499 WeakPolarHBondContact CB-O 3.44Å; P497-Y499 WeakPolarHBondContact CG-O 3.26Å; P497-Y499 PolarHBondContact O-N 3.34Å; P497-Y499 VanDerWaalsContact O-N 3.17Å; P497-F507 HydrophobicContact CG-CB 4.34Å; P497-F507 HydrophobicContact CG-CD1 3.67Å; P497-F507 HydrophobicContact CG-CD2 4.01Å; P497-F507 HydrophobicContact CG-CE1 3.94Å; P497-F507 HydrophobicContact CG-CE2 4.23Å; P497-F507 HydrophobicContact CG-CG 3.73Å; P497-F507 HydrophobicContact CG-CZ 4.21Å; P497-Y524 HydrophobicContact CB-CE2 4.08Å; P497-Y524 HydrophobicContact CG-CE2 4.31Å | ||
| 498 | P | 93.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -61.8 | -25.2 | 179.7 | 26.5 | -35.2 | 0 | 0 | 0 | 112.2 | F99 Q195 | F99-P498 HydrophobicContact CB-CB 4.06Å; F99-P498 HydrophobicContact CB-CG 4.37Å; F99-P498 HydrophobicContact CD1-CB 4Å; F99-P498 WeakPolarHBondContact CD1-O 3.47Å; F99-P498 WeakPolarHBondContact CE1-O 3.33Å; F99-P498 HydrophobicContact CG-CB 4.35Å; Q195-P498 HydrophobicContact CB-CG 3.9Å |
| 499 | Y | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -119.8 | 132.8 | 172.6 | -179.7 | -116.4 | 0 | 0 | 0 | 111.2 | P28 D29 F99 F196 D273 R286 T288 P497 P501 | P28-Y499 HydrophobicContact CB-CE2 3.93Å; P28-Y499 HydrophobicContact CG-CD2 4.41Å; P28-Y499 HydrophobicContact CG-CE2 3.78Å; D29-Y499 HydrophobicContact CB-CD2 4.22Å; D29-Y499 HydrophobicContact CB-CE2 4.46Å; F99-Y499 HydrophobicContact CE1-CD2 4.4Å; F99-Y499 AromaticContact CE2-CD2 3.87Å; F99-Y499 HydrophobicContact CE2-CD2 3.87Å; F99-Y499 HydrophobicContact CE2-CG 4.19Å; F99-Y499 AromaticContact CZ-CD2 3.59Å; F99-Y499 HydrophobicContact CZ-CD2 3.59Å; F99-Y499 HydrophobicContact CZ-CG 4.21Å; F196-Y499 AromaticContact CD2-CD1 3.59Å; F196-Y499 HydrophobicContact CD2-CD1 3.59Å; F196-Y499 HydrophobicContact CD2-CD2 4.11Å; F196-Y499 HydrophobicContact CD2-CE1 4.28Å; F196-Y499 AromaticContact CD2-CG 3.49Å; F196-Y499 HydrophobicContact CD2-CG 3.49Å; F196-Y499 VanDerWaalsContact CD2-CG 3.49Å; F196-Y499 AromaticContact CE2-CD1 3.79Å; F196-Y499 HydrophobicContact CE2-CD1 3.79Å; F196-Y499 AromaticContact CE2-CD2 3.93Å; F196-Y499 HydrophobicContact CE2-CD2 3.93Å; F196-Y499 HydrophobicContact CE2-CE1 4.04Å; F196-Y499 HydrophobicContact CE2-CE2 4.18Å; F196-Y499 AromaticContact CE2-CG 3.73Å; F196-Y499 HydrophobicContact CE2-CG 3.73Å; D273-Y499 VanDerWaalsContact CG-OH 3.23Å; D273-Y499 PolarHBondContact OD1-OH 3.12Å; D273-Y499 VanDerWaalsContact OD2-CE1 3.26Å; D273-Y499 WeakPolarHBondContact OD2-CE1 3.44Å; D273-Y499 VanDerWaalsContact OD2-CZ 3.24Å; D273-Y499 PolarHBondContact OD2-OH 3.32Å; R286-Y499 HydrophobicContact CB-CE1 3.77Å; R286-Y499 VanDerWaalsContact CD-OH 3.29Å; R286-Y499 WeakPolarHBondContact CD-OH 3.4Å; T288-Y499 HydrophobicContact CG2-CD1 4.29Å; P497-Y499 WeakPolarHBondContact CB-O 3.44Å; P497-Y499 WeakPolarHBondContact CG-O 3.26Å; P497-Y499 PolarHBondContact O-N 3.34Å; P497-Y499 VanDerWaalsContact O-N 3.17Å; Y499-P501 HydrophobicContact CE1-CB 3.92Å | ||
| 500 | N | 94.9 | Very high | 94 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | trans | -116.7 | 109.9 | 173.8 | -177.7 | -1.6 | 0 | 0 | 0 | 109.4 | L502 Y504 P505 | N500-L502 PolarHBondContact O-N 2.81Å; N500-L502 WeakPolarHBondContact OD1-CB 3.36Å; N500-L502 WeakPolarHBondContact OD1-CG 3.15Å; N500-L502 PolarHBondContact OD1-N 3.45Å; N500-Y504 PolarHBondContact ND2-O 2.78Å; N500-P505 PolarHBondContact ND2-O 2.99Å; N500-P505 VanDerWaalsContact ND2-O 3.13Å | ||
| 501 | P | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -69.9 | -17 | 179.8 | 28.4 | -33.8 | 0 | 0 | 0 | 112.9 | K227 A271 L272 D273 T288 Y499 F507 | K227-P501 WeakPolarHBondContact CE-O 3.31Å; K227-P501 PolarHBondContact NZ-O 2.82Å; K227-P501 VanDerWaalsContact NZ-O 3.13Å; A271-P501 HydrophobicContact CB-CG 3.86Å; L272-P501 VanDerWaalsContact C-CB 3.5Å; D273-P501 HydrophobicContact CB-CB 3.87Å; D273-P501 VanDerWaalsContact OD2-CB 3.27Å; D273-P501 WeakPolarHBondContact OD2-CB 3.33Å; T288-P501 HydrophobicContact CG2-CG 3.94Å; Y499-P501 HydrophobicContact CE1-CB 3.92Å; P501-F507 HydrophobicContact CG-CE2 4.37Å | ||
| 502 | L | 92.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -75.8 | 154.4 | -172.1 | -49.1 | 172.3 | 0 | 0 | 0 | 111.9 | K227 P229 M231 N500 Y504 F507 | K227-L502 PolarHBondContact NZ-O 2.79Å; P229-L502 HydrophobicContact CB-CD2 3.94Å; M231-L502 HydrophobicContact CB-CD2 3.86Å; M231-L502 HydrophobicContact SD-CD1 3.71Å; M231-L502 HydrophobicContact SD-CD2 3.95Å; M231-L502 HydrophobicContact SD-CG 4.31Å; N500-L502 PolarHBondContact O-N 2.81Å; N500-L502 WeakPolarHBondContact OD1-CB 3.36Å; N500-L502 WeakPolarHBondContact OD1-CG 3.15Å; N500-L502 PolarHBondContact OD1-N 3.45Å; L502-Y504 HydrophobicContact CB-CD1 4.08Å; L502-Y504 HydrophobicContact CB-CD2 4.17Å; L502-Y504 HydrophobicContact CB-CE1 3.77Å; L502-Y504 HydrophobicContact CB-CE2 3.83Å; L502-Y504 HydrophobicContact CB-CG 4.29Å; L502-Y504 HydrophobicContact CD1-CD2 4.27Å; L502-Y504 HydrophobicContact CD1-CE2 3.41Å; L502-Y504 VanDerWaalsContact CD1-CE2 3.41Å; L502-Y504 HydrophobicContact CG-CE2 4.12Å; L502-Y504 PolarHBondContact O-N 2.77Å; L502-F507 HydrophobicContact CD1-CD2 3.81Å; L502-F507 HydrophobicContact CD1-CE2 4.24Å; L502-F507 HydrophobicContact CG-CD2 4.43Å |
| 503 | P | 88.1 | Confident | 94.4 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -75.7 | 2.4 | 175.5 | 25.4 | -29 | 0 | 0 | 0 | 114.2 | P229 Y242 | P229-P503 HydrophobicContact CG-CG 4.34Å; Y242-P503 HydrophobicContact CD1-CG 3.87Å; Y242-P503 HydrophobicContact CE1-CG 4.03Å |
| 504 | Y | 86.9 | Confident | 94.5 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -129.8 | 153.5 | -176.8 | 43.5 | -82.5 | 0 | 0 | 0 | 110.6 | R233 Y242 N243 N500 L502 S506 | R233-Y504 WeakPolarHBondContact CD-OH 3.43Å; R233-Y504 PolarHBondContact NH1-OH 2.82Å; Y242-Y504 AromaticContact CD1-CD1 3.64Å; Y242-Y504 HydrophobicContact CD1-CD1 3.64Å; Y242-Y504 AromaticContact CD1-CE1 3.58Å; Y242-Y504 HydrophobicContact CD1-CE1 3.58Å; Y242-Y504 AromaticContact CE1-CD1 3.42Å; Y242-Y504 HydrophobicContact CE1-CD1 3.42Å; Y242-Y504 VanDerWaalsContact CE1-CD1 3.42Å; Y242-Y504 AromaticContact CE1-CE1 3.88Å; Y242-Y504 HydrophobicContact CE1-CE1 3.88Å; Y242-Y504 HydrophobicContact CE1-CG 4.37Å; N243-Y504 PolarHBondContact ND2-OH 2.9Å; N243-Y504 PolarHBondContact OD1-OH 3.37Å; N500-Y504 PolarHBondContact ND2-O 2.78Å; L502-Y504 HydrophobicContact CB-CD1 4.08Å; L502-Y504 HydrophobicContact CB-CD2 4.17Å; L502-Y504 HydrophobicContact CB-CE1 3.77Å; L502-Y504 HydrophobicContact CB-CE2 3.83Å; L502-Y504 HydrophobicContact CB-CG 4.29Å; L502-Y504 HydrophobicContact CD1-CD2 4.27Å; L502-Y504 HydrophobicContact CD1-CE2 3.41Å; L502-Y504 VanDerWaalsContact CD1-CE2 3.41Å; L502-Y504 HydrophobicContact CG-CE2 4.12Å; L502-Y504 PolarHBondContact O-N 2.77Å; Y504-S506 VanDerWaalsContact CD2-O 3.31Å; Y504-S506 WeakPolarHBondContact CD2-O 3.48Å; Y504-S506 WeakPolarHBondContact CE2-O 3.3Å |
| 505 | P | 87.2 | Confident | 94.5 | Very high | 113 Ų | 113 | 30 Ų | 30 | 73% | 0.734 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -73.3 | -32.1 | -166.5 | 26.5 | -35.2 | 0 | 0 | 0 | 114.6 | N500 | N500-P505 PolarHBondContact ND2-O 2.99Å; N500-P505 VanDerWaalsContact ND2-O 3.13Å |
| 506 | S | 92.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 24% | 0.238 | 16% | 0.156 | C | C | . | . | trans | -85.1 | 124.3 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | Y504 D509 | Y504-S506 VanDerWaalsContact CD2-O 3.31Å; Y504-S506 WeakPolarHBondContact CD2-O 3.48Å; Y504-S506 WeakPolarHBondContact CE2-O 3.3Å; S506-D509 PolarHBondContact OG-N 3.21Å | ||
| 507 | F | 94.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -85.6 | -11.9 | 178.3 | -163.8 | -110.6 | 0 | 0 | 0 | 112.6 | M231 A271 T288 P497 P501 L502 M514 Y524 | M231-F507 HydrophobicContact CE-CE2 4.5Å; M231-F507 HydrophobicContact CE-CZ 4.33Å; M231-F507 HydrophobicContact SD-CE2 3.99Å; M231-F507 HydrophobicContact SD-CZ 4.22Å; A271-F507 HydrophobicContact CB-CE2 3.83Å; A271-F507 HydrophobicContact CB-CZ 3.71Å; T288-F507 HydrophobicContact CG2-CZ 4.48Å; P497-F507 HydrophobicContact CG-CB 4.34Å; P497-F507 HydrophobicContact CG-CD1 3.67Å; P497-F507 HydrophobicContact CG-CD2 4.01Å; P497-F507 HydrophobicContact CG-CE1 3.94Å; P497-F507 HydrophobicContact CG-CE2 4.23Å; P497-F507 HydrophobicContact CG-CG 3.73Å; P497-F507 HydrophobicContact CG-CZ 4.21Å; P501-F507 HydrophobicContact CG-CE2 4.37Å; L502-F507 HydrophobicContact CD1-CD2 3.81Å; L502-F507 HydrophobicContact CD1-CE2 4.24Å; L502-F507 HydrophobicContact CG-CD2 4.43Å; F507-M514 HydrophobicContact CD1-CG 3.65Å; F507-M514 HydrophobicContact CD1-SD 4.36Å; F507-M514 HydrophobicContact CE1-CG 3.72Å; F507-M514 HydrophobicContact CE1-SD 3.95Å; F507-M514 WeakPolarHBondContact O-CE 3.5Å; F507-Y524 HydrophobicContact CD1-CE2 4.4Å; F507-Y524 AromaticContact CE1-CD2 3.71Å; F507-Y524 HydrophobicContact CE1-CD2 3.71Å; F507-Y524 AromaticContact CE1-CE2 3.51Å; F507-Y524 HydrophobicContact CE1-CE2 3.51Å; F507-Y524 HydrophobicContact CZ-CD2 4.46Å; F507-Y524 HydrophobicContact CZ-CE2 4.03Å |
| 508 | T | 96 | Very high | 94.8 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 9% | 0.092 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -111.2 | 9.3 | 179 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | D483 G484 N495 T511 M514 | D483-T508 CarbonylContact C-O 3.55Å; D483-T508 WeakPolarHBondContact CA-O 3.49Å; G484-T508 PolarHBondContact N-O 3.39Å; G484-T508 VanDerWaalsContact N-O 3.17Å; N495-T508 HydrophobicContact CB-CG2 4.17Å; T508-T511 PolarHBondContact O-N 3.42Å; T508-M514 HydrophobicContact CG2-CG 4.09Å |
| 509 | D | 94.5 | Very high | 95 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 131.7 | 179.1 | 168.2 | 45 | 0 | 0 | 0 | 110.6 | R233 D483 S506 T511 | R233-D509 IonicContact CZ-OD2 2.74Å; R233-D509 PolarHBondContact NH1-O 3.04Å; R233-D509 IonicContact NH1-OD2 3.65Å; R233-D509 PolarHBondContact NH1-OD2 3.44Å; R233-D509 IonicContact NH2-OD2 3.87Å; R233-D509 PolarHBondContact NH2-OD2 3.2Å; D483-D509 WeakPolarHBondContact OD1-CA 3.18Å; S506-D509 PolarHBondContact OG-N 3.21Å; D509-T511 PolarHBondContact O-N 3.11Å |
| 510 | K | 95.8 | Very high | 95 | Very high | 70 Ų | 70 | 29 Ų | 29 | 30% | 0.304 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 17.6 | -175.2 | -64 | -69.1 | -173 | 166.3 | 0 | 117 | D234 N480 | D234-K510 HydrophobicContact CB-CB 4.49Å; N480-K510 PolarHBondContact N-O 3.47Å; N480-K510 CarbonylContact O-C 3.6Å; N480-K510 VanDerWaalsContact O-CA 3.23Å; N480-K510 WeakPolarHBondContact O-CA 3.29Å |
| 511 | T | 97.6 | Very high | 95 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -144.9 | 173.6 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | M231 N480 G484 T508 D509 M514 H527 | M231-T511 HydrophobicContact CE-CG2 4.45Å; N480-T511 PolarHBondContact ND2-O 2.87Å; G484-T511 WeakPolarHBondContact CA-O 3.32Å; G484-T511 PolarHBondContact N-O 2.82Å; T508-T511 PolarHBondContact O-N 3.42Å; D509-T511 PolarHBondContact O-N 3.11Å; T511-M514 HydrophobicContact CG2-CE 3.42Å; T511-M514 VanDerWaalsContact CG2-CE 3.42Å; T511-H527 PolarHBondContact OG1-CE1 2.98Å; T511-H527 PolarHBondContact OG1-ND1 3.38Å |
| 512 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 165 | 172.9 | 65.2 | 176.5 | 0 | 0 | 0 | 112.8 | I423 L432 W443 P478 G484 M514 H523 | I423-I512 HydrophobicContact CD1-CD1 3.66Å; I423-I512 HydrophobicContact CG2-CD1 4.09Å; L432-I512 HydrophobicContact CD1-CB 4.33Å; L432-I512 HydrophobicContact CD2-CB 3.89Å; L432-I512 HydrophobicContact CD2-CG2 3.78Å; W443-I512 HydrophobicContact CD2-CG2 3.6Å; W443-I512 HydrophobicContact CE3-CG2 3.44Å; W443-I512 VanDerWaalsContact CE3-CG2 3.44Å; W443-I512 HydrophobicContact CG-CG2 4.34Å; W443-I512 HydrophobicContact CH2-CG2 3.81Å; W443-I512 HydrophobicContact CZ2-CG2 3.95Å; W443-I512 HydrophobicContact CZ3-CG2 3.54Å; P478-I512 HydrophobicContact CB-CD1 4.48Å; P478-I512 HydrophobicContact CG-CD1 4.44Å; P478-I512 HydrophobicContact CG-CG1 4.29Å; G484-I512 WeakPolarHBondContact O-CA 3.43Å; I512-M514 PolarHBondContact O-N 3.29Å; I512-H523 VanDerWaalsContact CG1-CD2 3.45Å; I512-H523 WeakPolarHBondContact CG1-CD2 3.31Å; I512-H523 WeakPolarHBondContact CG1-NE2 3.28Å |
| 513 | C | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -57.8 | 134.7 | 177.6 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | L432 G484 C489 D515 A516 | L432-C513 HydrophobicContact CD1-CB 3.84Å; G484-C513 PolarHBondContact O-N 3.42Å; C489-C513 WeakPolarHBondContact CA-SG 3.49Å; C489-C513 HydrophobicContact CB-CB 3.93Å; C489-C513 WeakPolarHBondContact CB-SG 3.22Å; C489-C513 WeakPolarHBondContact SG-CA 3.26Å; C489-C513 WeakPolarHBondContact SG-CB 3.4Å; C489-C513 CovalentContact SG-SG 2.04Å; C489-C513 PolarHBondContact SG-SG 3.3Å; C513-D515 VanDerWaalsContact C-N 3.26Å; C513-D515 WeakPolarHBondContact CB-OD1 3.09Å; C513-D515 PolarHBondContact O-N 3.47Å; C513-A516 WeakPolarHBondContact O-CB 3.43Å; C513-A516 PolarHBondContact O-N 2.88Å; C513-A516 VanDerWaalsContact O-N 3.14Å | ||
| 514 | M | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.7 | -178.8 | -67.8 | -64.9 | 149.6 | 0 | 0 | 112.9 | M231 F494 N495 F507 T508 T511 I512 A516 H523 Y524 H527 | M231-M514 HydrophobicContact CE-CE 3.12Å; M231-M514 HydrophobicContact CE-SD 4.09Å; F494-M514 HydrophobicContact CB-CB 4.3Å; F494-M514 WeakPolarHBondContact O-CB 3.46Å; N495-M514 PolarHBondContact OD1-N 3.06Å; F507-M514 HydrophobicContact CD1-CG 3.65Å; F507-M514 HydrophobicContact CD1-SD 4.36Å; F507-M514 HydrophobicContact CE1-CG 3.72Å; F507-M514 HydrophobicContact CE1-SD 3.95Å; F507-M514 WeakPolarHBondContact O-CE 3.5Å; T508-M514 HydrophobicContact CG2-CG 4.09Å; T511-M514 HydrophobicContact CG2-CE 3.42Å; T511-M514 VanDerWaalsContact CG2-CE 3.42Å; I512-M514 PolarHBondContact O-N 3.29Å; M514-A516 PolarHBondContact O-N 3.33Å; M514-H523 PolarHBondContact O-N 3.42Å; M514-Y524 HydrophobicContact CB-CD2 4Å; M514-Y524 HydrophobicContact CG-CD2 4.38Å; M514-Y524 WeakPolarHBondContact O-CB 3.4Å; M514-Y524 PolarHBondContact O-N 2.97Å; M514-H527 HydrophobicContact SD-CB 4.48Å |
| 515 | D | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 1.9 | 175 | 74.1 | -33.6 | 0 | 0 | 0 | 114.1 | N426 N492 F494 N495 C513 Q522 | N426-D515 HydrophobicContact CB-CB 4.3Å; N426-D515 VanDerWaalsContact CB-O 3.26Å; N426-D515 WeakPolarHBondContact CB-O 3.18Å; N426-D515 WeakPolarHBondContact CB-OD2 3.29Å; N426-D515 PolarHBondContact ND2-OD2 2.99Å; N492-D515 PolarHBondContact ND2-OD2 3.2Å; F494-D515 HydrophobicContact CB-CB 3.97Å; F494-D515 HydrophobicContact CD2-CB 4.05Å; F494-D515 HydrophobicContact CG-CB 4.41Å; N495-D515 PolarHBondContact ND2-OD1 3.17Å; N495-D515 PolarHBondContact ND2-OD2 3.05Å; N495-D515 PolarHBondContact OD1-N 2.98Å; N495-D515 PolarHBondContact OD1-OD1 2.87Å; C513-D515 VanDerWaalsContact C-N 3.26Å; C513-D515 WeakPolarHBondContact CB-OD1 3.09Å; C513-D515 PolarHBondContact O-N 3.47Å; D515-Q522 VanDerWaalsContact O-CD 3.23Å; D515-Q522 PolarHBondContact O-NE2 2.81Å; D515-Q522 PolarHBondContact O-OE1 3Å; D515-Q522 VanDerWaalsContact O-OE1 3.06Å |
| 516 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -61.4 | 142.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I423 K424 L432 C513 M514 Q522 H523 | I423-A516 HydrophobicContact CG2-CB 3.62Å; K424-A516 CarbonylContact O-C 3.5Å; K424-A516 WeakPolarHBondContact O-CA 3.39Å; L432-A516 HydrophobicContact CD1-CB 3.59Å; C513-A516 WeakPolarHBondContact O-CB 3.43Å; C513-A516 PolarHBondContact O-N 2.88Å; C513-A516 VanDerWaalsContact O-N 3.14Å; M514-A516 PolarHBondContact O-N 3.33Å; A516-Q522 CarbonylContact O-C 3.27Å; A516-Q522 WeakPolarHBondContact O-CA 3.28Å; A516-H523 HydrophobicContact CB-CB 4.18Å; A516-H523 PolarHBondContact O-N 3.42Å | ||
| 517 | N | 98.4 | Very high | 97 | Very high | 56 Ų | 56 | 23.1 Ų | 23.1 | 30% | 0.299 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.1 | -174.7 | -72.5 | -61.8 | 0 | 0 | 0 | 111.4 | K424 N426 Q522 | K424-N517 HydrophobicContact CB-CB 4.34Å; K424-N517 PolarHBondContact N-O 3.22Å; K424-N517 PolarHBondContact O-N 2.96Å; N426-N517 PolarHBondContact OD1-ND2 3.37Å; N517-Q522 PolarHBondContact OD1-NE2 2.91Å |
| 518 | Q | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 22.8 Ų | 22.8 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 165.4 | 165.2 | -67.1 | 178.5 | -110.3 | 0 | 0 | 109.1 | I423 D445 L520 G521 H523 L526 | I423-Q518 HydrophobicContact CB-CG 4.45Å; I423-Q518 HydrophobicContact CD1-CG 3.79Å; I423-Q518 HydrophobicContact CG1-CG 3.81Å; I423-Q518 HydrophobicContact CG2-CG 4.03Å; D445-Q518 HydrophobicContact CB-CG 4.44Å; D445-Q518 PolarHBondContact OD1-NE2 3.49Å; D445-Q518 WeakPolarHBondContact OD2-CA 3.4Å; D445-Q518 WeakPolarHBondContact OD2-CB 3.44Å; Q518-L520 VanDerWaalsContact C-N 3.27Å; Q518-L520 PolarHBondContact O-N 3.05Å; Q518-G521 CarbonylContact C-O 3.6Å; Q518-G521 WeakPolarHBondContact CA-O 3.34Å; Q518-G521 WeakPolarHBondContact CB-O 3.28Å; Q518-G521 PolarHBondContact N-O 2.9Å; Q518-G521 PolarHBondContact O-N 3.25Å; Q518-G521 VanDerWaalsContact O-N 3.17Å; Q518-G521 VanDerWaalsContact O-O 3.09Å; Q518-H523 PolarHBondContact OE1-ND1 2.82Å; Q518-L526 HydrophobicContact CB-CD1 3.77Å; Q518-L526 HydrophobicContact CG-CD1 4.33Å |
| 519 | L | 96.8 | Very high | 97.2 | Very high | 106 Ų | 106 | 22.1 Ų | 22.1 | 56% | 0.555 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -41 | 179.2 | -178.1 | 68 | 0 | 0 | 0 | 112 | D445 N448 | D445-L519 WeakPolarHBondContact OD2-CB 3.49Å; D445-L519 PolarHBondContact OD2-N 3.31Å; N448-L519 HydrophobicContact CB-CB 4.24Å; N448-L519 HydrophobicContact CB-CD2 4.1Å |
| 520 | L | 95 | Very high | 97.4 | Very high | 58 Ų | 58 | 20.4 Ų | 20.4 | 30% | 0.304 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12 | -179.1 | -68 | -172.7 | 0 | 0 | 0 | 114.4 | T135 I136 T447 Q518 L526 | T135-L520 HydrophobicContact CG2-CD1 3.95Å; I136-L520 HydrophobicContact CD1-CD1 3.78Å; I136-L520 HydrophobicContact CG1-CD1 3.63Å; T447-L520 HydrophobicContact CG2-CD1 4.03Å; T447-L520 HydrophobicContact CG2-CG 4.45Å; Q518-L520 VanDerWaalsContact C-N 3.27Å; Q518-L520 PolarHBondContact O-N 3.05Å; L520-L526 HydrophobicContact CB-CD1 4.09Å; L520-L526 HydrophobicContact CB-CD2 4.47Å |
| 521 | G | 95.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 17.1 Ų | 17.1 | 26% | 0.258 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.2 | -163.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q518 | Q518-G521 CarbonylContact C-O 3.6Å; Q518-G521 WeakPolarHBondContact CA-O 3.34Å; Q518-G521 WeakPolarHBondContact CB-O 3.28Å; Q518-G521 PolarHBondContact N-O 2.9Å; Q518-G521 PolarHBondContact O-N 3.25Å; Q518-G521 VanDerWaalsContact O-N 3.17Å; Q518-G521 VanDerWaalsContact O-O 3.09Å |
| 522 | Q | 96.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 16.9 Ų | 16.9 | 16% | 0.164 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142.5 | 178.5 | -65.9 | -103.1 | -54.9 | 0 | 0 | 110.5 | D515 A516 N517 Y524 S525 | D515-Q522 VanDerWaalsContact O-CD 3.23Å; D515-Q522 PolarHBondContact O-NE2 2.81Å; D515-Q522 PolarHBondContact O-OE1 3Å; D515-Q522 VanDerWaalsContact O-OE1 3.06Å; A516-Q522 CarbonylContact O-C 3.27Å; A516-Q522 WeakPolarHBondContact O-CA 3.28Å; N517-Q522 PolarHBondContact OD1-NE2 2.91Å; Q522-Y524 PolarHBondContact O-N 3.15Å; Q522-Y524 VanDerWaalsContact O-N 3.09Å; Q522-S525 PolarHBondContact O-N 2.82Å; Q522-S525 PolarHBondContact O-OG 3.5Å |
| 523 | H | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -54.1 | -32.6 | -179.2 | -171.1 | 60.4 | 0 | 0 | 0 | 112.8 | I512 M514 A516 Q518 S525 L526 H527 | I512-H523 VanDerWaalsContact CG1-CD2 3.45Å; I512-H523 WeakPolarHBondContact CG1-CD2 3.31Å; I512-H523 WeakPolarHBondContact CG1-NE2 3.28Å; M514-H523 PolarHBondContact O-N 3.42Å; A516-H523 HydrophobicContact CB-CB 4.18Å; A516-H523 PolarHBondContact O-N 3.42Å; Q518-H523 PolarHBondContact OE1-ND1 2.82Å; H523-S525 PolarHBondContact O-N 2.75Å; H523-L526 CarbonylContact O-C 3.6Å; H523-L526 PolarHBondContact O-N 3.16Å; H523-H527 AromaticContact CD2-ND1 3.99Å; H523-H527 VanDerWaalsContact CE1-CA 3.49Å; H523-H527 WeakPolarHBondContact CE1-CA 3.47Å; H523-H527 AromaticContact CE1-ND1 3.76Å; H523-H527 AromaticContact NE2-CG 3.64Å; H523-H527 AromaticContact NE2-ND1 3Å; H523-H527 PolarHBondContact NE2-ND1 3.41Å; H523-H527 WeakPolarHBondContact O-CB 3.11Å; H523-H527 PolarHBondContact O-N 2.83Å |
| 524 | Y | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 17.3 Ų | 17.3 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -44.6 | -37.6 | 172.2 | -174.7 | -100.7 | 0 | 0 | 0 | 114.4 | Q195 H270 T288 F494 P497 F507 M514 Q522 | Q195-Y524 PolarHBondContact NE2-OH 3.32Å; H270-Y524 AromaticContact CD2-CD1 3.77Å; H270-Y524 AromaticContact CD2-CE1 3.56Å; H270-Y524 AromaticContact NE2-CD1 4Å; T288-Y524 VanDerWaalsContact CB-OH 3.29Å; T288-Y524 WeakPolarHBondContact CB-OH 3.15Å; T288-Y524 PolarHBondContact O-OH 3.39Å; F494-Y524 HydrophobicContact CB-CD2 4.19Å; F494-Y524 HydrophobicContact CB-CG 4.4Å; F494-Y524 HydrophobicContact CD1-CD1 4.07Å; F494-Y524 HydrophobicContact CD1-CD2 4.34Å; F494-Y524 AromaticContact CD1-CG 3.94Å; F494-Y524 HydrophobicContact CD1-CG 3.94Å; F494-Y524 WeakPolarHBondContact O-CD2 3.32Å; P497-Y524 HydrophobicContact CB-CE2 4.08Å; P497-Y524 HydrophobicContact CG-CE2 4.31Å; F507-Y524 HydrophobicContact CD1-CE2 4.4Å; F507-Y524 AromaticContact CE1-CD2 3.71Å; F507-Y524 HydrophobicContact CE1-CD2 3.71Å; F507-Y524 AromaticContact CE1-CE2 3.51Å; F507-Y524 HydrophobicContact CE1-CE2 3.51Å; F507-Y524 HydrophobicContact CZ-CD2 4.46Å; F507-Y524 HydrophobicContact CZ-CE2 4.03Å; M514-Y524 HydrophobicContact CB-CD2 4Å; M514-Y524 HydrophobicContact CG-CD2 4.38Å; M514-Y524 WeakPolarHBondContact O-CB 3.4Å; M514-Y524 PolarHBondContact O-N 2.97Å; Q522-Y524 PolarHBondContact O-N 3.15Å; Q522-Y524 VanDerWaalsContact O-N 3.09Å |
| 525 | S | 96 | Very high | 97.6 | Very high | 30 Ų | 30 | 17.2 Ų | 17.2 | 21% | 0.21 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -97.6 | -8 | -179.2 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | T269 Q522 H523 | T269-S525 WeakPolarHBondContact CB-O 3.4Å; T269-S525 PolarHBondContact OG1-O 2.76Å; Q522-S525 PolarHBondContact O-N 2.82Å; Q522-S525 PolarHBondContact O-OG 3.5Å; H523-S525 PolarHBondContact O-N 2.75Å |
| 526 | L | 97.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -8.2 | -171.6 | -62.9 | 174.8 | 0 | 0 | 0 | 113.5 | I136 T447 Q518 L520 H523 N528 V529 Y530 | I136-L526 HydrophobicContact CD1-CD2 3.58Å; T447-L526 HydrophobicContact CG2-CD1 4.49Å; Q518-L526 HydrophobicContact CB-CD1 3.77Å; Q518-L526 HydrophobicContact CG-CD1 4.33Å; L520-L526 HydrophobicContact CB-CD1 4.09Å; L520-L526 HydrophobicContact CB-CD2 4.47Å; H523-L526 CarbonylContact O-C 3.6Å; H523-L526 PolarHBondContact O-N 3.16Å; L526-N528 PolarHBondContact O-N 3.33Å; L526-V529 HydrophobicContact CB-CG2 4.19Å; L526-V529 HydrophobicContact CD2-CG2 4.03Å; L526-V529 WeakPolarHBondContact O-CG2 3.32Å; L526-V529 PolarHBondContact O-N 3.37Å; L526-Y530 PolarHBondContact O-N 2.96Å; L526-Y530 VanDerWaalsContact O-N 3.14Å |
| 527 | H | 98.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -53.7 | -52.9 | -175.4 | 175.4 | 78.7 | 0 | 0 | 0 | 112.5 | M231 A232 E477 T511 M514 H523 V529 Y530 | M231-H527 VanDerWaalsContact CG-CD2 3.48Å; M231-H527 WeakPolarHBondContact CG-CD2 3.27Å; A232-H527 PolarHBondContact O-NE2 2.95Å; E477-H527 PolarHBondContact O-CE1 2.85Å; T511-H527 PolarHBondContact OG1-CE1 2.98Å; T511-H527 PolarHBondContact OG1-ND1 3.38Å; M514-H527 HydrophobicContact SD-CB 4.48Å; H523-H527 AromaticContact CD2-ND1 3.99Å; H523-H527 VanDerWaalsContact CE1-CA 3.49Å; H523-H527 WeakPolarHBondContact CE1-CA 3.47Å; H523-H527 AromaticContact CE1-ND1 3.76Å; H523-H527 AromaticContact NE2-CG 3.64Å; H523-H527 AromaticContact NE2-ND1 3Å; H523-H527 PolarHBondContact NE2-ND1 3.41Å; H523-H527 WeakPolarHBondContact O-CB 3.11Å; H523-H527 PolarHBondContact O-N 2.83Å; H527-V529 PolarHBondContact O-N 2.97Å; H527-V529 VanDerWaalsContact O-N 3.15Å; H527-Y530 WeakPolarHBondContact O-CB 3.25Å; H527-Y530 PolarHBondContact O-N 3.48Å |
| 528 | N | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -67.7 | -15.4 | -178.5 | -70 | -24.4 | 0 | 0 | 0 | 114.3 | M231 A232 V247 T269 H270 L526 F559 | M231-N528 WeakPolarHBondContact CA-OD1 3.41Å; A232-N528 PolarHBondContact N-OD1 3.41Å; V247-N528 HydrophobicContact CB-CB 4.42Å; V247-N528 HydrophobicContact CG1-CB 4.38Å; V247-N528 HydrophobicContact CG2-CB 4.35Å; T269-N528 WeakPolarHBondContact O-CB 3.43Å; T269-N528 PolarHBondContact O-ND2 2.78Å; H270-N528 PolarHBondContact O-ND2 3.18Å; L526-N528 PolarHBondContact O-N 3.33Å; N528-F559 HydrophobicContact CB-CD2 3.97Å; N528-F559 HydrophobicContact CB-CE2 3.93Å; N528-F559 WeakPolarHBondContact O-CB 3.5Å; N528-F559 VanDerWaalsContact O-CD2 3.31Å; N528-F559 WeakPolarHBondContact O-CD2 3.4Å |
| 529 | V | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -104.4 | -1.3 | -179.5 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | I136 T269 L526 H527 L532 S533 F559 | I136-V529 HydrophobicContact CD1-CG2 4.07Å; I136-V529 HydrophobicContact CG2-CB 3.74Å; I136-V529 HydrophobicContact CG2-CG1 4.04Å; I136-V529 HydrophobicContact CG2-CG2 4.02Å; T269-V529 HydrophobicContact CG2-CG1 3.73Å; L526-V529 HydrophobicContact CB-CG2 4.19Å; L526-V529 HydrophobicContact CD2-CG2 4.03Å; L526-V529 WeakPolarHBondContact O-CG2 3.32Å; L526-V529 PolarHBondContact O-N 3.37Å; H527-V529 PolarHBondContact O-N 2.97Å; H527-V529 VanDerWaalsContact O-N 3.15Å; V529-L532 PolarHBondContact O-N 2.94Å; V529-S533 PolarHBondContact O-N 2.86Å; V529-S533 PolarHBondContact O-OG 2.87Å; V529-F559 HydrophobicContact CG1-CD1 3.64Å; V529-F559 HydrophobicContact CG1-CD2 4.38Å; V529-F559 HydrophobicContact CG1-CE1 3.63Å; V529-F559 HydrophobicContact CG1-CE2 4.42Å; V529-F559 HydrophobicContact CG1-CG 4.02Å; V529-F559 HydrophobicContact CG1-CZ 4.06Å |
| 530 | Y | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.1 | -52.3 | 179.6 | -176.8 | -83.7 | 0 | 0 | 0 | 111.3 | I423 P444 F446 N476 P478 L526 H527 L532 S533 E534 | I423-Y530 HydrophobicContact CD1-CD2 4.22Å; I423-Y530 HydrophobicContact CD1-CE2 3.8Å; P444-Y530 WeakPolarHBondContact O-CE2 3.41Å; P444-Y530 PolarHBondContact O-OH 2.74Å; F446-Y530 AromaticContact CD2-CE1 3.98Å; F446-Y530 HydrophobicContact CD2-CE1 3.98Å; F446-Y530 AromaticContact CD2-CE2 3.95Å; F446-Y530 HydrophobicContact CD2-CE2 3.95Å; F446-Y530 AromaticContact CD2-CZ 3.6Å; F446-Y530 HydrophobicContact CE2-CE1 4.01Å; F446-Y530 HydrophobicContact CE2-CE2 4.49Å; F446-Y530 AromaticContact CE2-CZ 3.72Å; F446-Y530 WeakPolarHBondContact CE2-OH 3.03Å; N476-Y530 HydrophobicContact CB-CE1 4.47Å; N476-Y530 WeakPolarHBondContact O-CD1 3.39Å; P478-Y530 HydrophobicContact CB-CD1 4.22Å; P478-Y530 HydrophobicContact CB-CE1 4.17Å; P478-Y530 HydrophobicContact CB-CG 4.41Å; P478-Y530 HydrophobicContact CG-CD1 4.35Å; P478-Y530 HydrophobicContact CG-CG 4.19Å; L526-Y530 PolarHBondContact O-N 2.96Å; L526-Y530 VanDerWaalsContact O-N 3.14Å; H527-Y530 WeakPolarHBondContact O-CB 3.25Å; H527-Y530 PolarHBondContact O-N 3.48Å; Y530-L532 VanDerWaalsContact C-N 3.29Å; Y530-L532 PolarHBondContact O-N 2.7Å; Y530-S533 WeakPolarHBondContact CA-OG 3.5Å; Y530-S533 PolarHBondContact O-N 3.27Å; Y530-S533 PolarHBondContact O-OG 2.98Å; Y530-E534 PolarHBondContact O-N 3.09Å |
| 531 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N476 S535 | N476-G531 WeakPolarHBondContact O-CA 3.15Å; N476-G531 PolarHBondContact O-N 2.91Å; G531-S535 WeakPolarHBondContact O-CB 3.39Å; G531-S535 PolarHBondContact O-N 3.38Å; G531-S535 PolarHBondContact O-OG 2.64Å |
| 532 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 171.3 | 170.1 | 64.3 | 0 | 0 | 0 | 111.3 | I136 L137 V529 Y530 E534 S535 I536 F559 Y565 | I136-L532 HydrophobicContact CG2-CD2 4.27Å; L137-L532 HydrophobicContact CD2-CD2 3.7Å; L137-L532 HydrophobicContact CG-CD2 4.41Å; V529-L532 PolarHBondContact O-N 2.94Å; Y530-L532 VanDerWaalsContact C-N 3.29Å; Y530-L532 PolarHBondContact O-N 2.7Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 2.83Å; L532-S535 WeakPolarHBondContact O-CB 3.41Å; L532-S535 PolarHBondContact O-N 2.9Å; L532-I536 HydrophobicContact CD1-CD1 4.05Å; L532-I536 HydrophobicContact CD1-CG1 4.2Å; L532-I536 HydrophobicContact CG-CD1 4.04Å; L532-I536 WeakPolarHBondContact O-CG1 3.45Å; L532-I536 PolarHBondContact O-N 3.04Å; L532-F559 HydrophobicContact CB-CB 3.97Å; L532-F559 HydrophobicContact CD2-CB 4.3Å; L532-F559 HydrophobicContact CD2-CD1 4.05Å; L532-Y565 HydrophobicContact CD1-CD2 4Å; L532-Y565 HydrophobicContact CD1-CE2 4.25Å |
| 533 | S | 98.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 179.8 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | F446 V529 Y530 I536 V537 | F446-S533 WeakPolarHBondContact CB-OG 3.01Å; V529-S533 PolarHBondContact O-N 2.86Å; V529-S533 PolarHBondContact O-OG 2.87Å; Y530-S533 WeakPolarHBondContact CA-OG 3.5Å; Y530-S533 PolarHBondContact O-N 3.27Å; Y530-S533 PolarHBondContact O-OG 2.98Å; S533-I536 PolarHBondContact O-N 3.19Å; S533-V537 WeakPolarHBondContact O-CG2 3.46Å; S533-V537 PolarHBondContact O-N 3.2Å |
| 534 | E | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 172.3 | -175.2 | 170.1 | -172 | 0 | 0 | 112.4 | S400 F446 I473 N476 Y530 L532 I536 V537 T538 | S400-E534 WeakPolarHBondContact CB-OE2 3.41Å; F446-E534 HydrophobicContact CD1-CB 4.26Å; F446-E534 HydrophobicContact CD1-CG 4.32Å; F446-E534 HydrophobicContact CD2-CB 3.64Å; F446-E534 HydrophobicContact CD2-CG 4.06Å; F446-E534 HydrophobicContact CE1-CB 4.31Å; F446-E534 HydrophobicContact CE1-CG 3.89Å; F446-E534 HydrophobicContact CE2-CB 3.69Å; F446-E534 VanDerWaalsContact CE2-CD 3.46Å; F446-E534 HydrophobicContact CE2-CG 3.59Å; F446-E534 HydrophobicContact CG-CB 3.93Å; F446-E534 HydrophobicContact CG-CG 4.4Å; F446-E534 HydrophobicContact CZ-CB 4.04Å; F446-E534 HydrophobicContact CZ-CG 3.49Å; F446-E534 VanDerWaalsContact CZ-CG 3.49Å; I473-E534 HydrophobicContact CD1-CB 4.36Å; I473-E534 HydrophobicContact CD1-CG 3.91Å; I473-E534 HydrophobicContact CG2-CG 4.38Å; N476-E534 WeakPolarHBondContact CB-OE2 3.38Å; Y530-E534 PolarHBondContact O-N 3.09Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 2.83Å; E534-I536 VanDerWaalsContact C-N 3.31Å; E534-I536 PolarHBondContact O-N 2.78Å; E534-V537 PolarHBondContact O-N 3.33Å; E534-T538 VanDerWaalsContact O-CB 3.27Å; E534-T538 WeakPolarHBondContact O-CB 3.28Å; E534-T538 PolarHBondContact O-N 3.37Å; E534-T538 PolarHBondContact O-OG1 3.03Å |
| 535 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 175 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | G531 L532 N539 S555 | G531-S535 WeakPolarHBondContact O-CB 3.39Å; G531-S535 PolarHBondContact O-N 3.38Å; G531-S535 PolarHBondContact O-OG 2.64Å; L532-S535 WeakPolarHBondContact O-CB 3.41Å; L532-S535 PolarHBondContact O-N 2.9Å; S535-N539 WeakPolarHBondContact O-CB 3.33Å; S535-N539 PolarHBondContact O-N 2.93Å; S535-S555 PolarHBondContact OG-OG 2.9Å |
| 536 | I | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.072 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.3 | -51.7 | 176.5 | -68.8 | 167.3 | 0 | 0 | 0 | 110.2 | I136 L532 S533 E534 T538 N539 M540 Y565 | I136-I536 WeakPolarHBondContact O-CD1 3.2Å; L532-I536 HydrophobicContact CD1-CD1 4.05Å; L532-I536 HydrophobicContact CD1-CG1 4.2Å; L532-I536 HydrophobicContact CG-CD1 4.04Å; L532-I536 WeakPolarHBondContact O-CG1 3.45Å; L532-I536 PolarHBondContact O-N 3.04Å; S533-I536 PolarHBondContact O-N 3.19Å; E534-I536 VanDerWaalsContact C-N 3.31Å; E534-I536 PolarHBondContact O-N 2.78Å; I536-T538 PolarHBondContact O-N 3.28Å; I536-N539 PolarHBondContact O-N 2.87Å; I536-M540 HydrophobicContact CG2-CE 3.64Å; I536-M540 HydrophobicContact CG2-SD 4.07Å; I536-M540 WeakPolarHBondContact O-CB 3.36Å; I536-M540 VanDerWaalsContact O-CG 3.31Å; I536-M540 WeakPolarHBondContact O-CG 3.2Å; I536-M540 PolarHBondContact O-N 3.39Å; I536-Y565 HydrophobicContact CD1-CD2 4.43Å; I536-Y565 HydrophobicContact CD1-CE2 3.99Å; I536-Y565 HydrophobicContact CG1-CD1 4.1Å; I536-Y565 HydrophobicContact CG1-CD2 3.6Å; I536-Y565 HydrophobicContact CG1-CE1 4.06Å; I536-Y565 HydrophobicContact CG1-CE2 3.54Å; I536-Y565 HydrophobicContact CG1-CG 3.87Å |
| 537 | V | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | -178.5 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | F446 T452 W455 S533 E534 M540 A541 | F446-V537 HydrophobicContact CB-CG2 4.42Å; F446-V537 HydrophobicContact CD1-CB 3.97Å; F446-V537 HydrophobicContact CD1-CG1 4.04Å; F446-V537 HydrophobicContact CD1-CG2 4.07Å; F446-V537 HydrophobicContact CE1-CG1 4.29Å; T452-V537 HydrophobicContact CG2-CG1 4.45Å; W455-V537 HydrophobicContact CB-CG1 3.68Å; W455-V537 HydrophobicContact CG-CG1 3.88Å; S533-V537 WeakPolarHBondContact O-CG2 3.46Å; S533-V537 PolarHBondContact O-N 3.2Å; E534-V537 PolarHBondContact O-N 3.33Å; V537-M540 PolarHBondContact O-N 3.29Å; V537-A541 VanDerWaalsContact O-CB 3.28Å; V537-A541 WeakPolarHBondContact O-CB 3.49Å; V537-A541 PolarHBondContact O-N 2.68Å |
| 538 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | W455 M459 I471 I473 E534 I536 A541 L542 V553 | W455-T538 PolarHBondContact NE1-OG1 2.94Å; M459-T538 HydrophobicContact CE-CG2 4.27Å; M459-T538 HydrophobicContact SD-CG2 4.32Å; I471-T538 HydrophobicContact CB-CG2 3.98Å; I471-T538 HydrophobicContact CG1-CG2 4.46Å; I471-T538 HydrophobicContact CG2-CG2 3.76Å; I473-T538 HydrophobicContact CG2-CG2 4.03Å; E534-T538 VanDerWaalsContact O-CB 3.27Å; E534-T538 WeakPolarHBondContact O-CB 3.28Å; E534-T538 PolarHBondContact O-N 3.37Å; E534-T538 PolarHBondContact O-OG1 3.03Å; I536-T538 PolarHBondContact O-N 3.28Å; T538-A541 PolarHBondContact O-N 2.81Å; T538-L542 WeakPolarHBondContact O-CB 3.4Å; T538-L542 PolarHBondContact O-N 3.3Å; T538-V553 HydrophobicContact CG2-CG1 4.08Å; T538-V553 HydrophobicContact CG2-CG2 4.01Å |
| 539 | N | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 175.6 | -176.3 | -76.9 | 0 | 0 | 0 | 111.4 | S535 I536 A541 L542 K543 P551 V553 Y565 | S535-N539 WeakPolarHBondContact O-CB 3.33Å; S535-N539 PolarHBondContact O-N 2.93Å; I536-N539 PolarHBondContact O-N 2.87Å; N539-A541 VanDerWaalsContact C-N 3.31Å; N539-A541 PolarHBondContact O-N 2.69Å; N539-L542 PolarHBondContact O-N 3.45Å; N539-K543 WeakPolarHBondContact O-CG 3.17Å; N539-K543 PolarHBondContact O-N 3.03Å; N539-K543 VanDerWaalsContact O-N 3.11Å; N539-K543 VanDerWaalsContact OD1-CE 3.23Å; N539-K543 WeakPolarHBondContact OD1-CE 3.47Å; N539-P551 WeakPolarHBondContact ND2-CG 3.31Å; N539-V553 HydrophobicContact CB-CG2 4.24Å; N539-Y565 HydrophobicContact CB-CD1 4.3Å; N539-Y565 WeakPolarHBondContact ND2-CA 3.32Å; N539-Y565 PolarHBondContact ND2-O 3.44Å |
| 540 | M | 97.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 26.5 Ų | 26.5 | 46% | 0.458 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.7 | -72.1 | -179.9 | 179.3 | 0 | 0 | 112 | I536 V537 K543 S544 | I536-M540 HydrophobicContact CG2-CE 3.64Å; I536-M540 HydrophobicContact CG2-SD 4.07Å; I536-M540 WeakPolarHBondContact O-CB 3.36Å; I536-M540 VanDerWaalsContact O-CG 3.31Å; I536-M540 WeakPolarHBondContact O-CG 3.2Å; I536-M540 PolarHBondContact O-N 3.39Å; V537-M540 PolarHBondContact O-N 3.29Å; M540-K543 PolarHBondContact O-N 3.41Å; M540-S544 PolarHBondContact O-N 2.81Å; M540-S544 PolarHBondContact O-OG 3.42Å |
| 541 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L456 M459 V537 T538 N539 K543 S544 V545 | L456-A541 HydrophobicContact CB-CB 4.13Å; L456-A541 HydrophobicContact CD1-CB 4.08Å; M459-A541 HydrophobicContact CE-CB 3.9Å; M459-A541 HydrophobicContact SD-CB 3.42Å; M459-A541 WeakPolarHBondContact SD-CB 3.29Å; V537-A541 VanDerWaalsContact O-CB 3.28Å; V537-A541 WeakPolarHBondContact O-CB 3.49Å; V537-A541 PolarHBondContact O-N 2.68Å; T538-A541 PolarHBondContact O-N 2.81Å; N539-A541 VanDerWaalsContact C-N 3.31Å; N539-A541 PolarHBondContact O-N 2.69Å; A541-K543 PolarHBondContact O-N 2.87Å; A541-S544 CarbonylContact O-C 3.51Å; A541-S544 WeakPolarHBondContact O-CA 3.29Å; A541-S544 WeakPolarHBondContact O-CB 3.3Å; A541-S544 PolarHBondContact O-N 3.32Å; A541-V545 WeakPolarHBondContact O-CG2 2.92Å; A541-V545 PolarHBondContact O-N 2.79Å |
| 542 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.1 | -87.7 | -174.1 | 0 | 0 | 0 | 112.7 | M459 Y468 I471 T538 N539 S544 V545 L546 P551 F552 V553 | M459-L542 HydrophobicContact CE-CD2 3.76Å; M459-L542 HydrophobicContact CE-CG 3.81Å; Y468-L542 HydrophobicContact CD2-CD2 4.44Å; Y468-L542 HydrophobicContact CE2-CD2 3.74Å; I471-L542 HydrophobicContact CB-CD1 4.38Å; I471-L542 HydrophobicContact CG1-CD1 4.41Å; I471-L542 HydrophobicContact CG1-CD2 3.88Å; I471-L542 HydrophobicContact CG1-CG 4.25Å; T538-L542 WeakPolarHBondContact O-CB 3.4Å; T538-L542 PolarHBondContact O-N 3.3Å; N539-L542 PolarHBondContact O-N 3.45Å; L542-S544 PolarHBondContact O-N 3.41Å; L542-V545 PolarHBondContact O-N 2.67Å; L542-V545 VanDerWaalsContact O-N 3.11Å; L542-L546 HydrophobicContact CD2-CD1 4.05Å; L542-L546 HydrophobicContact CD2-CG 4.42Å; L542-L546 WeakPolarHBondContact O-CB 3.3Å; L542-L546 PolarHBondContact O-N 3.02Å; L542-P551 HydrophobicContact CB-CB 3.86Å; L542-P551 HydrophobicContact CD1-CB 4.07Å; L542-F552 VanDerWaalsContact CD1-O 3.22Å; L542-F552 WeakPolarHBondContact CD1-O 3.42Å; L542-V553 HydrophobicContact CD1-CG2 3.55Å |
| 543 | K | 97 | Very high | 97.8 | Very high | 75 Ų | 75 | 27.2 Ų | 27.2 | 33% | 0.326 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.6 | -31.6 | 175.5 | -68 | -179.7 | -179.8 | -160.3 | 0 | 112.7 | N539 M540 A541 P551 E805 | N539-K543 WeakPolarHBondContact O-CG 3.17Å; N539-K543 PolarHBondContact O-N 3.03Å; N539-K543 VanDerWaalsContact O-N 3.11Å; N539-K543 VanDerWaalsContact OD1-CE 3.23Å; N539-K543 WeakPolarHBondContact OD1-CE 3.47Å; M540-K543 PolarHBondContact O-N 3.41Å; A541-K543 PolarHBondContact O-N 2.87Å; K543-P551 HydrophobicContact CG-CB 4.45Å; K543-P551 HydrophobicContact CG-CG 4.11Å; K543-E805 VanDerWaalsContact CD-OE1 3.23Å; K543-E805 WeakPolarHBondContact CD-OE1 3.36Å; K543-E805 WeakPolarHBondContact CE-OE1 3.48Å; K543-E805 IonicContact NZ-OE1 2.64Å; K543-E805 PolarHBondContact NZ-OE1 3.41Å |
| 544 | S | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 35% | 0.35 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -83.8 | -25.1 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | M540 A541 L542 | M540-S544 PolarHBondContact O-N 2.81Å; M540-S544 PolarHBondContact O-OG 3.42Å; A541-S544 CarbonylContact O-C 3.51Å; A541-S544 WeakPolarHBondContact O-CA 3.29Å; A541-S544 WeakPolarHBondContact O-CB 3.3Å; A541-S544 PolarHBondContact O-N 3.32Å; L542-S544 PolarHBondContact O-N 3.41Å |
| 545 | V | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 13% | 0.127 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -82.2 | -46.3 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L456 M459 K460 H463 Y468 A541 L542 | L456-V545 HydrophobicContact CD1-CG2 4.14Å; M459-V545 HydrophobicContact CB-CG2 4.22Å; K460-V545 HydrophobicContact CG-CG2 3.72Å; H463-V545 HydrophobicContact CB-CG1 3.62Å; Y468-V545 HydrophobicContact CE2-CG1 4.26Å; A541-V545 WeakPolarHBondContact O-CG2 2.92Å; A541-V545 PolarHBondContact O-N 2.79Å; L542-V545 PolarHBondContact O-N 2.67Å; L542-V545 VanDerWaalsContact O-N 3.11Å |
| 546 | L | 96.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.073 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -106.7 | 67.1 | -176.8 | -56 | -179.8 | 0 | 0 | 0 | 110 | H463 G469 L542 G548 K549 | H463-L546 VanDerWaalsContact CE1-CD2 3.49Å; H463-L546 WeakPolarHBondContact CE1-CD2 3.21Å; G469-L546 VanDerWaalsContact O-CD1 3.27Å; G469-L546 WeakPolarHBondContact O-CD1 3.47Å; L542-L546 HydrophobicContact CD2-CD1 4.05Å; L542-L546 HydrophobicContact CD2-CG 4.42Å; L542-L546 WeakPolarHBondContact O-CB 3.3Å; L542-L546 PolarHBondContact O-N 3.02Å; L546-G548 PolarHBondContact O-N 2.8Å; L546-K549 HydrophobicContact CB-CB 4.09Å; L546-K549 HydrophobicContact CB-CD 4.38Å; L546-K549 WeakPolarHBondContact O-CB 3.17Å; L546-K549 PolarHBondContact O-N 2.94Å |
| 547 | L | 96.5 | Very high | 97.8 | Very high | 142 Ų | 142 | 26.5 Ų | 26.5 | 74% | 0.743 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.6 | -174 | -66.4 | 175.9 | 0 | 0 | 0 | 112.7 | K549 | L547-K549 PolarHBondContact O-N 3.46Š|
| 548 | G | 96 | Very high | 97.8 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 41% | 0.412 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 3.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L546 N804 E805 | L546-G548 PolarHBondContact O-N 2.8Å; G548-N804 WeakPolarHBondContact O-CA 3.48Å; G548-N804 PolarHBondContact O-OD1 2.92Å; G548-E805 PolarHBondContact O-N 3.39Å |
| 549 | K | 97.5 | Very high | 97.8 | Very high | 78 Ų | 78 | 26.3 Ų | 26.3 | 34% | 0.339 | 15% | 0.145 | S | C | . | . | B | Isolated β-bridge | trans | -101.7 | 146.8 | 176.8 | -61 | -170.8 | -179.6 | -178.6 | 0 | 111.4 | L546 L547 E803 | L546-K549 HydrophobicContact CB-CB 4.09Å; L546-K549 HydrophobicContact CB-CD 4.38Å; L546-K549 WeakPolarHBondContact O-CB 3.17Å; L546-K549 PolarHBondContact O-N 2.94Å; L547-K549 PolarHBondContact O-N 3.46Å; K549-E803 CarbonylContact C-O 3.59Å; K549-E803 VanDerWaalsContact CA-O 3.31Å; K549-E803 WeakPolarHBondContact CA-O 3.41Å |
| 550 | R | 97.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 26 Ų | 26 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 127.7 | 171.3 | -71.5 | 170.6 | -174.7 | 144.6 | 12.2 | 110.7 | L318 P320 Y667 D800 E803 N804 | L318-R550 WeakPolarHBondContact O-CD 3.3Å; P320-R550 HydrophobicContact CB-CB 4.17Å; P320-R550 HydrophobicContact CG-CB 4.48Å; R550-Y667 PolarHBondContact NH1-OH 2.85Å; R550-D800 IonicContact CZ-OD2 3.98Å; R550-D800 IonicContact NH1-OD1 2.93Å; R550-D800 IonicContact NH1-OD2 3.88Å; R550-D800 PolarHBondContact NH1-OD2 3.4Å; R550-D800 IonicContact NH2-OD2 2.95Å; R550-D800 PolarHBondContact NH2-OD2 2.99Å; R550-E803 PolarHBondContact N-O 3.49Å; R550-N804 PolarHBondContact NE-O 2.85Å; R550-N804 VanDerWaalsContact NE-O 3.07Å; R550-N804 PolarHBondContact NH2-O 3.03Å |
| 551 | P | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -67 | 137.8 | 174.4 | 28 | -33.9 | 0 | 0 | 0 | 110.3 | N539 L542 K543 | N539-P551 WeakPolarHBondContact ND2-CG 3.31Å; L542-P551 HydrophobicContact CB-CB 3.86Å; L542-P551 HydrophobicContact CD1-CB 4.07Å; K543-P551 HydrophobicContact CG-CB 4.45Å; K543-P551 HydrophobicContact CG-CG 4.11Å |
| 552 | F | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | -113.7 | 105.5 | 167.8 | -176.4 | -82.5 | 0 | 0 | 0 | 108.1 | P320 W322 H327 F357 V395 G470 I471 L542 L554 I567 F626 | P320-F552 HydrophobicContact CG-CB 4.05Å; P320-F552 HydrophobicContact CG-CD2 4.2Å; W322-F552 HydrophobicContact CH2-CB 3.82Å; W322-F552 AromaticContact CH2-CD1 3.72Å; W322-F552 HydrophobicContact CH2-CD1 3.72Å; W322-F552 AromaticContact CH2-CD2 3.78Å; W322-F552 HydrophobicContact CH2-CD2 3.78Å; W322-F552 HydrophobicContact CH2-CE1 4.2Å; W322-F552 HydrophobicContact CH2-CE2 4.24Å; W322-F552 AromaticContact CH2-CG 3.48Å; W322-F552 HydrophobicContact CH2-CG 3.48Å; W322-F552 VanDerWaalsContact CH2-CG 3.48Å; W322-F552 HydrophobicContact CH2-CZ 4.43Å; W322-F552 HydrophobicContact CZ2-CB 3.67Å; W322-F552 HydrophobicContact CZ2-CD1 4.45Å; W322-F552 HydrophobicContact CZ2-CD2 4.12Å; W322-F552 AromaticContact CZ2-CG 3.84Å; W322-F552 HydrophobicContact CZ2-CG 3.84Å; W322-F552 HydrophobicContact CZ3-CD1 4.49Å; W322-F552 HydrophobicContact CZ3-CD2 4.28Å; W322-F552 HydrophobicContact CZ3-CE2 4.34Å; W322-F552 HydrophobicContact CZ3-CG 4.35Å; W322-F552 HydrophobicContact CZ3-CZ 4.48Å; H327-F552 AromaticContact CE1-CZ 3.9Å; F357-F552 HydrophobicContact CZ-CE1 4.04Å; F357-F552 HydrophobicContact CZ-CZ 4.36Å; V395-F552 HydrophobicContact CG1-CD1 4.42Å; V395-F552 HydrophobicContact CG1-CE1 4.32Å; V395-F552 HydrophobicContact CG2-CD1 4.28Å; V395-F552 HydrophobicContact CG2-CE1 4.26Å; G470-F552 CarbonylContact C-O 3.46Å; G470-F552 VanDerWaalsContact CA-O 3.23Å; G470-F552 WeakPolarHBondContact CA-O 3.13Å; I471-F552 PolarHBondContact N-O 3Å; L542-F552 VanDerWaalsContact CD1-O 3.22Å; L542-F552 WeakPolarHBondContact CD1-O 3.42Å; F552-L554 HydrophobicContact CE1-CB 4.35Å; F552-I567 HydrophobicContact CE1-CD1 4.19Å; F552-I567 HydrophobicContact CE2-CD1 3.64Å; F552-I567 HydrophobicContact CZ-CD1 3.43Å; F552-I567 VanDerWaalsContact CZ-CD1 3.43Å; F552-I567 HydrophobicContact CZ-CG1 4.42Å; F552-F626 HydrophobicContact CZ-CD2 4.41Å; F552-F626 AromaticContact CZ-CE2 3.97Å; F552-F626 HydrophobicContact CZ-CE2 3.97Å | ||
| 553 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.6 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | I471 I473 T538 N539 L542 A566 I567 | I471-V553 CarbonylContact O-C 3.48Å; I471-V553 VanDerWaalsContact O-CA 3.31Å; I471-V553 WeakPolarHBondContact O-CA 3.36Å; I473-V553 HydrophobicContact CD1-CG1 3.98Å; I473-V553 HydrophobicContact CG1-CG1 4.14Å; T538-V553 HydrophobicContact CG2-CG1 4.08Å; T538-V553 HydrophobicContact CG2-CG2 4.01Å; N539-V553 HydrophobicContact CB-CG2 4.24Å; L542-V553 HydrophobicContact CD1-CG2 3.55Å; V553-A566 HydrophobicContact CB-CB 4Å; V553-A566 HydrophobicContact CG1-CB 3.9Å; V553-A566 CarbonylContact O-C 3.54Å; V553-A566 VanDerWaalsContact O-CA 3.31Å; V553-A566 WeakPolarHBondContact O-CA 3.37Å; V553-I567 WeakPolarHBondContact O-CG1 3.4Å; V553-I567 PolarHBondContact O-N 3.19Å |
| 554 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124 | 169 | 177.3 | 69.2 | 0 | 0 | 0 | 108.4 | F357 I471 W472 I473 F552 I567 W569 F626 R628 | F357-L554 HydrophobicContact CD1-CD2 4.42Å; F357-L554 HydrophobicContact CE1-CB 4.46Å; F357-L554 HydrophobicContact CE1-CD2 3.48Å; F357-L554 VanDerWaalsContact CE1-CD2 3.48Å; F357-L554 HydrophobicContact CZ-CD2 3.91Å; I471-L554 PolarHBondContact O-N 3.4Å; W472-L554 CarbonylContact C-O 3.1Å; W472-L554 WeakPolarHBondContact CA-O 3.46Å; W472-L554 HydrophobicContact CB-CB 4.35Å; W472-L554 HydrophobicContact CB-CD2 4.42Å; W472-L554 HydrophobicContact CG-CD2 4.04Å; I473-L554 WeakPolarHBondContact CG1-O 3.45Å; I473-L554 PolarHBondContact N-O 3.16Å; F552-L554 HydrophobicContact CE1-CB 4.35Å; L554-I567 HydrophobicContact CB-CD1 4.5Å; L554-I567 HydrophobicContact CB-CG1 4.14Å; L554-I567 HydrophobicContact CD1-CD1 3.88Å; L554-I567 HydrophobicContact CD1-CG1 3.7Å; L554-W569 HydrophobicContact CD1-CB 4.25Å; L554-W569 HydrophobicContact CD1-CD2 4.33Å; L554-W569 HydrophobicContact CD1-CE3 3.51Å; L554-W569 HydrophobicContact CD1-CZ3 4.21Å; L554-W569 HydrophobicContact CD2-CD2 4.37Å; L554-W569 HydrophobicContact CD2-CE3 3.8Å; L554-W569 HydrophobicContact CD2-CZ3 4.07Å; L554-W569 HydrophobicContact CG-CD2 4.38Å; L554-W569 HydrophobicContact CG-CE3 3.41Å; L554-W569 VanDerWaalsContact CG-CE3 3.41Å; L554-W569 HydrophobicContact CG-CZ3 3.63Å; L554-F626 HydrophobicContact CD1-CD1 4.14Å; L554-F626 HydrophobicContact CD1-CE1 3.66Å; L554-F626 HydrophobicContact CD1-CZ 3.91Å; L554-F626 HydrophobicContact CD2-CE1 4.01Å; L554-F626 HydrophobicContact CD2-CZ 3.77Å; L554-F626 HydrophobicContact CG-CZ 4.45Å; L554-R628 VanDerWaalsContact CD2-NH1 3.28Å |
| 555 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136 | -178 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | N476 S535 S557 I567 H568 W569 | N476-S555 PolarHBondContact ND2-OG 3.26Å; S535-S555 PolarHBondContact OG-OG 2.9Å; S555-S557 PolarHBondContact OG-O 3.27Å; S555-I567 PolarHBondContact N-O 3.26Å; S555-H568 PolarHBondContact O-ND1 3.13Å; S555-W569 WeakPolarHBondContact O-CZ3 3.26Å |
| 556 | R | 97.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.3 | -59 | 173.3 | -153.9 | 168.3 | 62.6 | -170.9 | 2.9 | 109 | D234 Y245 I473 D474 M475 E477 S479 H568 W569 | D234-R556 IonicContact OD1-NH2 3.33Å; Y245-R556 WeakPolarHBondContact CB-O 3.11Å; Y245-R556 HydrophobicContact CD1-CG 3.6Å; Y245-R556 HydrophobicContact CD2-CG 4.21Å; Y245-R556 HydrophobicContact CE1-CG 4Å; Y245-R556 HydrophobicContact CG-CG 3.67Å; I473-R556 PolarHBondContact O-N 2.92Å; D474-R556 WeakPolarHBondContact OD1-CD 3.33Å; D474-R556 IonicContact OD1-CZ 3.08Å; D474-R556 IonicContact OD1-NE 3.97Å; D474-R556 PolarHBondContact OD1-NE 2.76Å; D474-R556 IonicContact OD1-NH1 3.66Å; D474-R556 PolarHBondContact OD1-NH1 3.48Å; D474-R556 IonicContact OD1-NH2 3.03Å; D474-R556 IonicContact OD2-NH1 3.06Å; M475-R556 PolarHBondContact SD-NH2 2.95Å; E477-R556 VanDerWaalsContact OE1-C 3.32Å; E477-R556 WeakPolarHBondContact OE1-CB 3.45Å; E477-R556 WeakPolarHBondContact OE1-CG 3.45Å; E477-R556 IonicContact OE1-NE 3.13Å; E477-R556 PolarHBondContact OE1-NE 2.6Å; E477-R556 IonicContact OE2-CZ 2.9Å; E477-R556 IonicContact OE2-NE 3.98Å; E477-R556 PolarHBondContact OE2-NE 3.24Å; E477-R556 VanDerWaalsContact OE2-NE 3.11Å; E477-R556 IonicContact OE2-NH2 3.58Å; E477-R556 PolarHBondContact OE2-NH2 2.82Å; S479-R556 PolarHBondContact OG-NH2 2.79Å; R556-H568 PolarHBondContact O-CE1 3.33Å; R556-H568 PolarHBondContact O-ND1 2.9Å; R556-W569 VanDerWaalsContact CA-CH2 3.45Å; R556-W569 VanDerWaalsContact CA-CZ3 3.42Å; R556-W569 HydrophobicContact CB-CH2 3.23Å; R556-W569 HydrophobicContact CB-CZ2 3.65Å; R556-W569 HydrophobicContact CB-CZ3 3.8Å; R556-W569 HydrophobicContact CG-CH2 3.69Å; R556-W569 HydrophobicContact CG-CZ2 3.52Å; R556-W569 HydrophobicContact CG-CZ3 4.39Å |
| 557 | S | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -73.2 | 142.3 | 179.5 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | Y245 N476 E477 S555 | Y245-S557 WeakPolarHBondContact O-CA 3.39Å; Y245-S557 PolarHBondContact O-OG 3.41Å; N476-S557 WeakPolarHBondContact O-CB 3.07Å; N476-S557 WeakPolarHBondContact OD1-CB 3.45Å; N476-S557 PolarHBondContact OD1-N 2.7Å; E477-S557 WeakPolarHBondContact OE1-CA 3.46Å; E477-S557 VanDerWaalsContact OE1-CB 3.29Å; E477-S557 WeakPolarHBondContact OE1-CB 3.04Å; E477-S557 PolarHBondContact OE1-N 3.1Å; S555-S557 PolarHBondContact OG-O 3.27Å |
| 558 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 152.5 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | Y245 G246 V247 H248 | Y245-S558 PolarHBondContact O-N 2.76Å; G246-S558 CarbonylContact C-O 3.56Å; G246-S558 VanDerWaalsContact CA-O 3.29Å; G246-S558 WeakPolarHBondContact CA-O 3.43Å; G246-S558 WeakPolarHBondContact CA-OG 3.39Å; V247-S558 PolarHBondContact N-O 3.42Å; H248-S558 PolarHBondContact NE2-OG 3.11Å |
| 559 | F | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 171.6 | 172.9 | -168.1 | -109.1 | 0 | 0 | 0 | 109.3 | V247 H248 F267 T269 N528 V529 L532 G561 S562 | V247-F559 HydrophobicContact CB-CD2 3.87Å; V247-F559 HydrophobicContact CB-CE2 4.22Å; V247-F559 HydrophobicContact CG1-CD2 3.99Å; V247-F559 HydrophobicContact CG1-CE2 3.81Å; V247-F559 WeakPolarHBondContact O-CD2 3.49Å; H248-F559 PolarHBondContact CE1-O 2.79Å; F267-F559 AromaticContact CE2-CE1 3.71Å; F267-F559 HydrophobicContact CE2-CE1 3.71Å; F267-F559 HydrophobicContact CE2-CZ 4.16Å; F267-F559 HydrophobicContact CZ-CE1 4.22Å; T269-F559 HydrophobicContact CG2-CZ 4.4Å; N528-F559 HydrophobicContact CB-CD2 3.97Å; N528-F559 HydrophobicContact CB-CE2 3.93Å; N528-F559 WeakPolarHBondContact O-CB 3.5Å; N528-F559 VanDerWaalsContact O-CD2 3.31Å; N528-F559 WeakPolarHBondContact O-CD2 3.4Å; V529-F559 HydrophobicContact CG1-CD1 3.64Å; V529-F559 HydrophobicContact CG1-CD2 4.38Å; V529-F559 HydrophobicContact CG1-CE1 3.63Å; V529-F559 HydrophobicContact CG1-CE2 4.42Å; V529-F559 HydrophobicContact CG1-CG 4.02Å; V529-F559 HydrophobicContact CG1-CZ 4.06Å; L532-F559 HydrophobicContact CB-CB 3.97Å; L532-F559 HydrophobicContact CD2-CB 4.3Å; L532-F559 HydrophobicContact CD2-CD1 4.05Å; F559-G561 PolarHBondContact O-N 2.78Å; F559-G561 VanDerWaalsContact O-N 3.09Å; F559-S562 PolarHBondContact N-OG 2.88Å; F559-S562 VanDerWaalsContact O-CB 3.28Å; F559-S562 WeakPolarHBondContact O-CB 3.44Å; F559-S562 PolarHBondContact O-N 3.42Å; F559-S562 PolarHBondContact O-OG 2.79Å; F559-S562 VanDerWaalsContact O-OG 3.1Å |
| 560 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 118.2 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | L137 M140 L265 F267 I313 | L137-V560 WeakPolarHBondContact CD2-O 3.31Å; M140-V560 HydrophobicContact CE-CG1 3.93Å; L265-V560 HydrophobicContact CD1-CG1 4.27Å; L265-V560 HydrophobicContact CD1-CG2 3.86Å; L265-V560 HydrophobicContact CD2-CG1 4.08Å; F267-V560 HydrophobicContact CD2-CG1 4.39Å; I313-V560 HydrophobicContact CB-CG1 4.06Å; I313-V560 HydrophobicContact CG2-CG1 3.46Å; I313-V560 VanDerWaalsContact CG2-CG1 3.46Å |
| 561 | G | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 7.8 Ų | 7.8 | 4% | 0.041 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -5.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | F559 G563 R564 | F559-G561 PolarHBondContact O-N 2.78Å; F559-G561 VanDerWaalsContact O-N 3.09Å; G561-G563 PolarHBondContact O-N 2.04Å; G561-R564 PolarHBondContact O-N 3.09Å |
| 562 | S | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.007 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -57.5 | -31.4 | 179.2 | -76.2 | 0 | 0 | 0 | 0 | 114 | F559 R564 Y565 A566 | F559-S562 PolarHBondContact N-OG 2.88Å; F559-S562 VanDerWaalsContact O-CB 3.28Å; F559-S562 WeakPolarHBondContact O-CB 3.44Å; F559-S562 PolarHBondContact O-N 3.42Å; F559-S562 PolarHBondContact O-OG 2.79Å; F559-S562 VanDerWaalsContact O-OG 3.1Å; S562-R564 PolarHBondContact O-N 2.91Å; S562-Y565 PolarHBondContact O-N 3.18Å; S562-A566 PolarHBondContact O-N 2.85Å |
| 563 | G | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 4% | 0.041 | 4% | 0.038 | C | C | . | . | G | 310 helix | trans | -60 | -19.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P316 S317 G561 Y565 G594 | P316-G563 CarbonylContact C-O 3.45Å; P316-G563 VanDerWaalsContact CA-O 3.23Å; P316-G563 WeakPolarHBondContact CA-O 3.37Å; S317-G563 PolarHBondContact N-O 3.16Å; G561-G563 PolarHBondContact O-N 2.04Å; G563-Y565 PolarHBondContact O-N 3.35Å; G563-G594 WeakPolarHBondContact CA-O 3.49Å |
| 564 | R | 97.1 | Very high | 97.4 | Very high | 95 Ų | 95 | 12.3 Ų | 12.3 | 36% | 0.358 | 5% | 0.053 | S | C | . | . | G | 310 helix | trans | -69.8 | -22.1 | 173.6 | -173.6 | 174.5 | -176.5 | 96.5 | -6.8 | 112.9 | H139 G561 S562 | H139-R564 PolarHBondContact ND1-NH1 3.02Å; H139-R564 VanDerWaalsContact ND1-NH1 3.13Å; G561-R564 PolarHBondContact O-N 3.09Å; S562-R564 PolarHBondContact O-N 2.91Å |
| 565 | Y | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 13 Ų | 13 | 10% | 0.098 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -30.4 | -169.1 | -52.4 | -73 | 0 | 0 | 0 | 113.4 | L532 I536 N539 S562 G563 | L532-Y565 HydrophobicContact CD1-CD2 4Å; L532-Y565 HydrophobicContact CD1-CE2 4.25Å; I536-Y565 HydrophobicContact CD1-CD2 4.43Å; I536-Y565 HydrophobicContact CD1-CE2 3.99Å; I536-Y565 HydrophobicContact CG1-CD1 4.1Å; I536-Y565 HydrophobicContact CG1-CD2 3.6Å; I536-Y565 HydrophobicContact CG1-CE1 4.06Å; I536-Y565 HydrophobicContact CG1-CE2 3.54Å; I536-Y565 HydrophobicContact CG1-CG 3.87Å; N539-Y565 HydrophobicContact CB-CD1 4.3Å; N539-Y565 WeakPolarHBondContact ND2-CA 3.32Å; N539-Y565 PolarHBondContact ND2-O 3.44Å; S562-Y565 PolarHBondContact O-N 3.18Å; G563-Y565 PolarHBondContact O-N 3.35Å |
| 566 | A | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | trans | -142.1 | 155.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V553 S562 M595 | V553-A566 HydrophobicContact CB-CB 4Å; V553-A566 HydrophobicContact CG1-CB 3.9Å; V553-A566 CarbonylContact O-C 3.54Å; V553-A566 VanDerWaalsContact O-CA 3.31Å; V553-A566 WeakPolarHBondContact O-CA 3.37Å; S562-A566 PolarHBondContact O-N 2.85Å; A566-M595 VanDerWaalsContact O-CE 3.28Å; A566-M595 WeakPolarHBondContact O-CE 3.46Å | ||
| 567 | I | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 166.1 | 163.6 | 72.9 | 161.4 | 0 | 0 | 0 | 108.7 | F552 V553 L554 S555 M597 F626 | F552-I567 HydrophobicContact CE1-CD1 4.19Å; F552-I567 HydrophobicContact CE2-CD1 3.64Å; F552-I567 HydrophobicContact CZ-CD1 3.43Å; F552-I567 VanDerWaalsContact CZ-CD1 3.43Å; F552-I567 HydrophobicContact CZ-CG1 4.42Å; V553-I567 WeakPolarHBondContact O-CG1 3.4Å; V553-I567 PolarHBondContact O-N 3.19Å; L554-I567 HydrophobicContact CB-CD1 4.5Å; L554-I567 HydrophobicContact CB-CG1 4.14Å; L554-I567 HydrophobicContact CD1-CD1 3.88Å; L554-I567 HydrophobicContact CD1-CG1 3.7Å; S555-I567 PolarHBondContact N-O 3.26Å; I567-M597 HydrophobicContact CB-CB 3.77Å; I567-M597 WeakPolarHBondContact CB-O 3.19Å; I567-M597 HydrophobicContact CG2-CB 3.39Å; I567-M597 HydrophobicContact CG2-CG 4.1Å; I567-F626 HydrophobicContact CD1-CB 4.36Å; I567-F626 HydrophobicContact CD1-CD2 3.59Å; I567-F626 HydrophobicContact CD1-CE2 3.95Å; I567-F626 HydrophobicContact CD1-CG 3.92Å |
| 568 | H | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.3 | -174.2 | 177.8 | 73.2 | 0 | 0 | 0 | 111.8 | E213 S555 R556 F590 M595 M597 T598 | E213-H568 IonicContact OE1-CE1 2.71Å; E213-H568 IonicContact OE1-NE2 2.84Å; E213-H568 PolarHBondContact OE1-NE2 3.01Å; E213-H568 IonicContact OE2-CE1 3.75Å; E213-H568 IonicContact OE2-NE2 3.86Å; S555-H568 PolarHBondContact O-ND1 3.13Å; R556-H568 PolarHBondContact O-CE1 3.33Å; R556-H568 PolarHBondContact O-ND1 2.9Å; H568-F590 HydrophobicContact CB-CD1 4.29Å; H568-F590 HydrophobicContact CB-CE1 4.17Å; H568-F590 AromaticContact CD2-CD1 3.5Å; H568-F590 VanDerWaalsContact CD2-CD1 3.5Å; H568-F590 WeakPolarHBondContact CD2-CD1 3.38Å; H568-F590 AromaticContact CD2-CE1 3.01Å; H568-F590 WeakPolarHBondContact CD2-CE1 3.34Å; H568-F590 AromaticContact CD2-CE2 3.73Å; H568-F590 AromaticContact CD2-CZ 3.15Å; H568-F590 WeakPolarHBondContact CD2-CZ 3.25Å; H568-F590 AromaticContact CE1-CZ 3.9Å; H568-F590 AromaticContact CG-CE1 3.59Å; H568-F590 AromaticContact NE2-CE1 3.41Å; H568-F590 WeakPolarHBondContact NE2-CE1 3.22Å; H568-F590 AromaticContact NE2-CE2 3.64Å; H568-F590 AromaticContact NE2-CZ 3.03Å; H568-F590 WeakPolarHBondContact NE2-CZ 3.42Å; H568-M595 HydrophobicContact CB-CE 3.58Å; H568-M595 HydrophobicContact CB-SD 4.26Å; H568-M597 PolarHBondContact N-O 3.04Å; H568-T598 WeakPolarHBondContact O-CA 3.25Å |
| 569 | W | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.5 | 166.3 | 81.2 | 105.6 | 0 | 0 | 0 | 109.3 | W472 D474 L554 S555 R556 G571 G599 F626 R628 | W472-W569 AromaticContact CD1-CH2 3.56Å; W472-W569 AromaticContact CD1-CZ3 3.59Å; W472-W569 AromaticContact CE2-CH2 3.86Å; W472-W569 HydrophobicContact CZ2-CH2 4.36Å; W472-W569 HydrophobicContact CZ2-CZ2 4.13Å; W472-W569 AromaticContact NE1-CH2 2.85Å; W472-W569 AromaticContact NE1-CZ2 3.47Å; W472-W569 AromaticContact NE1-CZ3 3.35Å; D474-W569 HydrophobicContact CB-CH2 4.43Å; L554-W569 HydrophobicContact CD1-CB 4.25Å; L554-W569 HydrophobicContact CD1-CD2 4.33Å; L554-W569 HydrophobicContact CD1-CE3 3.51Å; L554-W569 HydrophobicContact CD1-CZ3 4.21Å; L554-W569 HydrophobicContact CD2-CD2 4.37Å; L554-W569 HydrophobicContact CD2-CE3 3.8Å; L554-W569 HydrophobicContact CD2-CZ3 4.07Å; L554-W569 HydrophobicContact CG-CD2 4.38Å; L554-W569 HydrophobicContact CG-CE3 3.41Å; L554-W569 VanDerWaalsContact CG-CE3 3.41Å; L554-W569 HydrophobicContact CG-CZ3 3.63Å; S555-W569 WeakPolarHBondContact O-CZ3 3.26Å; R556-W569 VanDerWaalsContact CA-CH2 3.45Å; R556-W569 VanDerWaalsContact CA-CZ3 3.42Å; R556-W569 HydrophobicContact CB-CH2 3.23Å; R556-W569 HydrophobicContact CB-CZ2 3.65Å; R556-W569 HydrophobicContact CB-CZ3 3.8Å; R556-W569 HydrophobicContact CG-CH2 3.69Å; R556-W569 HydrophobicContact CG-CZ2 3.52Å; R556-W569 HydrophobicContact CG-CZ3 4.39Å; W569-G571 VanDerWaalsContact CD1-CA 3.49Å; W569-G571 VanDerWaalsContact NE1-CA 3.27Å; W569-G571 PolarHBondContact O-N 2.81Å; W569-G599 WeakPolarHBondContact CA-O 3.49Å; W569-G599 VanDerWaalsContact CB-O 3.32Å; W569-G599 WeakPolarHBondContact CB-O 3.47Å; W569-F626 HydrophobicContact CB-CD1 4.28Å; W569-F626 HydrophobicContact CB-CE1 4.11Å; W569-R628 VanDerWaalsContact CD1-NH2 3.34Å |
| 570 | S | 93.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -69.8 | 16.6 | -173.5 | 68.3 | 0 | 0 | 0 | 0 | 115.6 | N586 G599 S600 | S570-N586 WeakPolarHBondContact CB-OD1 3.42Å; S570-G599 PolarHBondContact N-O 3.07Å; S570-S600 VanDerWaalsContact OG-CA 3.31Å; S570-S600 WeakPolarHBondContact OG-CA 3.4Å; S570-S600 WeakPolarHBondContact OG-CB 3.37Å; S570-S600 PolarHBondContact OG-OG 3.22Å | ||
| 571 | G | 92.9 | Very high | 97 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 63 | -149.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y245 W569 N573 | Y245-G571 VanDerWaalsContact CE2-CA 3.41Å; W569-G571 VanDerWaalsContact CD1-CA 3.49Å; W569-G571 VanDerWaalsContact NE1-CA 3.27Å; W569-G571 PolarHBondContact O-N 2.81Å; G571-N573 PolarHBondContact O-N 2.85Å; G571-N573 PolarHBondContact O-OD1 2.79Å; G571-N573 VanDerWaalsContact O-OD1 3.08Å | ||
| 572 | D | 95.2 | Very high | 96.9 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -82 | 58.6 | -163.6 | -65.8 | -2.8 | 0 | 0 | 0 | 112.6 | A236 P237 Y245 F605 I606 | A236-D572 HydrophobicContact CB-CB 4.2Å; P237-D572 WeakPolarHBondContact CD-O 3.45Å; Y245-D572 PolarHBondContact OH-N 3.41Å; D572-F605 HydrophobicContact CB-CD1 3.54Å; D572-F605 HydrophobicContact CB-CE1 4.01Å; D572-F605 HydrophobicContact CB-CG 4.4Å; D572-I606 HydrophobicContact CB-CD1 4.01Å; D572-I606 HydrophobicContact CB-CG1 4.2Å; D572-I606 VanDerWaalsContact O-CD1 3.31Å; D572-I606 WeakPolarHBondContact O-CD1 3.12Å; D572-I606 WeakPolarHBondContact O-CG1 3.48Å |
| 573 | N | 96.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -63.1 | 149.9 | -177.5 | 60.1 | -78.6 | 0 | 0 | 0 | 112.5 | G571 W582 D601 G604 F605 I606 W617 | G571-N573 PolarHBondContact O-N 2.85Å; G571-N573 PolarHBondContact O-OD1 2.79Å; G571-N573 VanDerWaalsContact O-OD1 3.08Å; N573-W582 HydrophobicContact CB-CZ3 4.08Å; N573-D601 PolarHBondContact ND2-O 3.46Å; N573-D601 VanDerWaalsContact ND2-O 3.11Å; N573-D601 WeakPolarHBondContact OD1-CB 3.42Å; N573-D601 PolarHBondContact OD1-N 2.97Å; N573-D601 VanDerWaalsContact OD1-N 3.11Å; N573-G604 WeakPolarHBondContact ND2-CA 3.38Å; N573-F605 WeakPolarHBondContact O-CA 3.32Å; N573-F605 PolarHBondContact O-N 2.6Å; N573-I606 PolarHBondContact O-N 2.86Å; N573-I606 VanDerWaalsContact O-N 3.08Å; N573-W617 WeakPolarHBondContact ND2-CH2 3.48Å; N573-W617 WeakPolarHBondContact ND2-CZ2 3.15Å | ||
| 574 | W | 96.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 27.5 Ų | 27.5 | 31% | 0.314 | 11% | 0.113 | S | C | . | . | B | Isolated β-bridge | trans | -84.9 | 151.2 | -177.7 | -68.1 | 74.5 | 0 | 0 | 0 | 112.3 | P237 R576 D579 I606 W617 | P237-W574 PolarHBondContact O-NE1 2.87Å; W574-R576 HydrophobicContact CB-CG 3.92Å; W574-R576 VanDerWaalsContact CD1-NH2 3.3Å; W574-R576 PolarHBondContact O-N 3.07Å; W574-D579 WeakPolarHBondContact CB-OD1 3.29Å; W574-D579 PolarHBondContact N-OD1 2.99Å; W574-D579 WeakPolarHBondContact O-CB 3.17Å; W574-I606 HydrophobicContact CD2-CB 3.85Å; W574-I606 HydrophobicContact CD2-CD1 4.44Å; W574-I606 HydrophobicContact CD2-CG2 3.88Å; W574-I606 HydrophobicContact CE3-CB 3.86Å; W574-I606 HydrophobicContact CE3-CG2 3.51Å; W574-I606 HydrophobicContact CG-CB 4.27Å; W574-I606 HydrophobicContact CH2-CG2 3.58Å; W574-I606 HydrophobicContact CZ2-CD1 4.12Å; W574-I606 HydrophobicContact CZ2-CG2 3.93Å; W574-I606 HydrophobicContact CZ3-CB 4.23Å; W574-I606 HydrophobicContact CZ3-CG2 3.36Å; W574-W617 WeakPolarHBondContact O-CH2 3.37Å |
| 575 | S | 96.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 23 Ų | 23 | 11% | 0.105 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -71.6 | 65 | 170.6 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | C603 I606 G607 L613 | S575-C603 WeakPolarHBondContact CB-O 3.47Å; S575-C603 PolarHBondContact OG-O 2.79Å; S575-I606 WeakPolarHBondContact CB-O 3.31Å; S575-I606 PolarHBondContact N-O 2.98Å; S575-I606 PolarHBondContact OG-O 2.86Å; S575-G607 WeakPolarHBondContact CB-O 3.41Å; S575-G607 PolarHBondContact OG-O 3.25Å; S575-L613 VanDerWaalsContact C-CD2 3.44Å; S575-L613 WeakPolarHBondContact O-CD2 3.32Å |
| 576 | R | 96.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 21.8 Ų | 21.8 | 31% | 0.306 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -135.9 | 153 | -179.4 | -54.2 | 176 | -59.7 | -155.9 | -7.1 | 111.7 | W574 K578 D579 L580 | W574-R576 HydrophobicContact CB-CG 3.92Å; W574-R576 VanDerWaalsContact CD1-NH2 3.3Å; W574-R576 PolarHBondContact O-N 3.07Å; R576-K578 PolarHBondContact O-N 3.42Å; R576-D579 WeakPolarHBondContact CB-OD2 3.09Å; R576-D579 IonicContact CZ-OD2 3.38Å; R576-D579 IonicContact NE-OD2 2.68Å; R576-D579 PolarHBondContact NE-OD2 2.72Å; R576-D579 VanDerWaalsContact NH2-CG 3.35Å; R576-D579 IonicContact NH2-OD1 3.25Å; R576-D579 PolarHBondContact NH2-OD1 2.82Å; R576-D579 VanDerWaalsContact NH2-OD1 3.11Å; R576-D579 IonicContact NH2-OD2 3.22Å; R576-D579 PolarHBondContact NH2-OD2 3.14Å; R576-D579 PolarHBondContact O-N 2.99Å; R576-D579 VanDerWaalsContact O-N 3.17Å; R576-L580 PolarHBondContact O-N 3.32Å |
| 577 | W | 97.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 21.7 Ų | 21.7 | 17% | 0.174 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -31.5 | 173.5 | -72.2 | 93 | 0 | 0 | 0 | 113.5 | L580 R581 E612 L613 R616 V713 E714 A715 | W577-L580 HydrophobicContact CE3-CD2 3.6Å; W577-L580 HydrophobicContact CZ3-CD2 3.73Å; W577-L580 WeakPolarHBondContact O-CB 3.46Å; W577-L580 PolarHBondContact O-N 3.06Å; W577-R581 PolarHBondContact O-N 2.8Å; W577-R581 VanDerWaalsContact O-N 3.09Å; W577-E612 HydrophobicContact CH2-CG 4.09Å; W577-E612 HydrophobicContact CZ2-CB 4.39Å; W577-E612 HydrophobicContact CZ2-CG 3.89Å; W577-L613 HydrophobicContact CD2-CD1 3.83Å; W577-L613 HydrophobicContact CE3-CD1 4.23Å; W577-L613 HydrophobicContact CG-CD1 4.02Å; W577-L613 HydrophobicContact CZ2-CB 4.29Å; W577-L613 HydrophobicContact CZ2-CD1 4.48Å; W577-R616 HydrophobicContact CH2-CB 3.99Å; W577-R616 HydrophobicContact CH2-CG 3.67Å; W577-R616 HydrophobicContact CZ3-CB 4.08Å; W577-R616 HydrophobicContact CZ3-CG 4.08Å; W577-V713 VanDerWaalsContact CE3-C 3.5Å; W577-E714 WeakPolarHBondContact CZ3-O 3.28Å; W577-A715 HydrophobicContact CD2-CB 4.13Å; W577-A715 HydrophobicContact CH2-CB 4.43Å; W577-A715 VanDerWaalsContact CZ2-CA 3.45Å; W577-A715 HydrophobicContact CZ2-CB 3.73Å |
| 578 | K | 96.2 | Very high | 96.8 | Very high | 99 Ų | 99 | 21.3 Ų | 21.3 | 43% | 0.43 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.9 | -173.2 | 172.1 | 179.9 | 174.6 | 0 | 111.9 | D239 R576 R581 W582 | D239-K578 WeakPolarHBondContact OD1-CD 3.3Å; D239-K578 WeakPolarHBondContact OD1-CE 3.3Å; D239-K578 IonicContact OD1-NZ 2.85Å; D239-K578 PolarHBondContact OD1-NZ 2.75Å; D239-K578 IonicContact OD2-NZ 3.04Å; D239-K578 PolarHBondContact OD2-NZ 2.93Å; R576-K578 PolarHBondContact O-N 3.42Å; K578-R581 PolarHBondContact O-N 3.25Å; K578-W582 PolarHBondContact O-N 3.24Å |
| 579 | D | 97 | Very high | 96.8 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72 | -35.4 | 178.3 | -61.7 | -121.1 | 0 | 0 | 0 | 111.6 | W574 R576 R581 W582 S583 W617 | W574-D579 WeakPolarHBondContact CB-OD1 3.29Å; W574-D579 PolarHBondContact N-OD1 2.99Å; W574-D579 WeakPolarHBondContact O-CB 3.17Å; R576-D579 WeakPolarHBondContact CB-OD2 3.09Å; R576-D579 IonicContact CZ-OD2 3.38Å; R576-D579 IonicContact NE-OD2 2.68Å; R576-D579 PolarHBondContact NE-OD2 2.72Å; R576-D579 VanDerWaalsContact NH2-CG 3.35Å; R576-D579 IonicContact NH2-OD1 3.25Å; R576-D579 PolarHBondContact NH2-OD1 2.82Å; R576-D579 VanDerWaalsContact NH2-OD1 3.11Å; R576-D579 IonicContact NH2-OD2 3.22Å; R576-D579 PolarHBondContact NH2-OD2 3.14Å; R576-D579 PolarHBondContact O-N 2.99Å; R576-D579 VanDerWaalsContact O-N 3.17Å; D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 2.92Å; D579-W582 PolarHBondContact O-N 3.33Å; D579-S583 WeakPolarHBondContact O-CB 3.38Å; D579-S583 PolarHBondContact O-N 3.08Å; D579-W617 HydrophobicContact CB-CH2 3.9Å |
| 580 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -53.9 | -46 | 167.5 | 174.8 | 74.7 | 0 | 0 | 0 | 110.7 | R576 W577 S583 L613 R616 W617 L620 V713 | R576-L580 PolarHBondContact O-N 3.32Å; W577-L580 HydrophobicContact CE3-CD2 3.6Å; W577-L580 HydrophobicContact CZ3-CD2 3.73Å; W577-L580 WeakPolarHBondContact O-CB 3.46Å; W577-L580 PolarHBondContact O-N 3.06Å; L580-S583 PolarHBondContact O-OG 3.27Å; L580-L613 HydrophobicContact CB-CD1 4.24Å; L580-L613 HydrophobicContact CD2-CD1 4.29Å; L580-R616 HydrophobicContact CD2-CB 4.4Å; L580-W617 HydrophobicContact CB-CD2 4.34Å; L580-W617 HydrophobicContact CB-CE3 4.31Å; L580-W617 VanDerWaalsContact CD1-CA 3.46Å; L580-W617 HydrophobicContact CD1-CB 3.63Å; L580-W617 HydrophobicContact CD1-CD2 3.67Å; L580-W617 HydrophobicContact CD1-CE3 4.32Å; L580-W617 HydrophobicContact CD1-CG 3.35Å; L580-L620 HydrophobicContact CD1-CB 4.33Å; L580-L620 HydrophobicContact CD1-CD2 3.66Å; L580-L620 HydrophobicContact CG-CD2 4.22Å; L580-V713 HydrophobicContact CD2-CB 4.46Å |
| 581 | R | 97 | Very high | 97 | Very high | 77 Ų | 77 | 21.3 Ų | 21.3 | 29% | 0.291 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -69.6 | -45.6 | 177.5 | -175.2 | 176.5 | 177.5 | 168.1 | 1 | 112.2 | W577 K578 D579 S583 I584 D698 V713 | W577-R581 PolarHBondContact O-N 2.8Å; W577-R581 VanDerWaalsContact O-N 3.09Å; K578-R581 PolarHBondContact O-N 3.25Å; D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 2.92Å; R581-S583 PolarHBondContact O-N 2.93Å; R581-I584 WeakPolarHBondContact O-CB 3.42Å; R581-I584 PolarHBondContact O-N 3.19Å; R581-I584 VanDerWaalsContact O-N 3.11Å; R581-D698 IonicContact CZ-OD1 3.11Å; R581-D698 IonicContact NH2-OD1 3.86Å; R581-D698 PolarHBondContact NH2-OD1 3.11Å; R581-V713 HydrophobicContact CB-CB 4.47Å |
| 582 | W | 96.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 3% | 0.034 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.3 | -32.4 | 178.3 | 171 | 68.1 | 0 | 0 | 0 | 112.7 | Q214 V215 P237 L244 N573 K578 D579 I584 V585 N586 | Q214-W582 PolarHBondContact O-NE1 3.07Å; V215-W582 HydrophobicContact CG1-CG 4.37Å; V215-W582 HydrophobicContact CG2-CZ2 4.14Å; P237-W582 HydrophobicContact CB-CE3 4.35Å; P237-W582 HydrophobicContact CB-CH2 3.67Å; P237-W582 HydrophobicContact CB-CZ2 4.33Å; P237-W582 HydrophobicContact CB-CZ3 3.7Å; P237-W582 HydrophobicContact CG-CH2 3.48Å; P237-W582 VanDerWaalsContact CG-CH2 3.48Å; P237-W582 HydrophobicContact CG-CZ2 4.44Å; P237-W582 HydrophobicContact CG-CZ3 3.68Å; L244-W582 HydrophobicContact CD1-CH2 4.14Å; L244-W582 HydrophobicContact CD1-CZ2 3.88Å; N573-W582 HydrophobicContact CB-CZ3 4.08Å; K578-W582 PolarHBondContact O-N 3.24Å; D579-W582 PolarHBondContact O-N 3.33Å; W582-I584 PolarHBondContact O-N 3.09Å; W582-I584 VanDerWaalsContact O-N 3.09Å; W582-V585 WeakPolarHBondContact O-CA 3.42Å; W582-V585 WeakPolarHBondContact O-CB 3.46Å; W582-V585 PolarHBondContact O-N 2.93Å; W582-N586 HydrophobicContact CD2-CB 4.4Å; W582-N586 HydrophobicContact CH2-CB 4.49Å; W582-N586 HydrophobicContact CZ2-CB 4.02Å; W582-N586 PolarHBondContact O-N 2.79Å |
| 583 | S | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.3 | -29.3 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | D579 L580 R581 M587 S600 Y624 | D579-S583 WeakPolarHBondContact O-CB 3.38Å; D579-S583 PolarHBondContact O-N 3.08Å; L580-S583 PolarHBondContact O-OG 3.27Å; R581-S583 PolarHBondContact O-N 2.93Å; S583-M587 WeakPolarHBondContact O-CB 3.42Å; S583-M587 PolarHBondContact O-N 2.77Å; S583-S600 VanDerWaalsContact CB-OG 3.23Å; S583-S600 WeakPolarHBondContact CB-OG 3.31Å; S583-Y624 WeakPolarHBondContact CB-OH 3.41Å; S583-Y624 PolarHBondContact OG-OH 3.2Å |
| 584 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.6 | -46.8 | 175.8 | -57.3 | 175.4 | 0 | 0 | 0 | 109.6 | R581 W582 M587 L588 L620 D698 F701 P711 V713 | R581-I584 WeakPolarHBondContact O-CB 3.42Å; R581-I584 PolarHBondContact O-N 3.19Å; R581-I584 VanDerWaalsContact O-N 3.11Å; W582-I584 PolarHBondContact O-N 3.09Å; W582-I584 VanDerWaalsContact O-N 3.09Å; I584-M587 PolarHBondContact O-N 2.89Å; I584-L588 HydrophobicContact CG2-CD1 4.02Å; I584-L588 HydrophobicContact CG2-CG 4.47Å; I584-L588 WeakPolarHBondContact O-CB 3.27Å; I584-L588 WeakPolarHBondContact O-CG 3.47Å; I584-L588 PolarHBondContact O-N 2.75Å; I584-L620 HydrophobicContact CD1-CD1 4.38Å; I584-L620 HydrophobicContact CD1-CD2 4.06Å; I584-L620 HydrophobicContact CG1-CD1 4.14Å; I584-L620 HydrophobicContact CG1-CD2 3.79Å; I584-D698 WeakPolarHBondContact CG2-O 3.48Å; I584-F701 HydrophobicContact CG2-CD1 3.86Å; I584-P711 HydrophobicContact CD1-CG 3.71Å; I584-V713 HydrophobicContact CD1-CG1 3.95Å |
| 585 | V | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | H216 F219 W582 M587 L588 E589 D698 | H216-V585 WeakPolarHBondContact CE1-CG1 3.32Å; F219-V585 HydrophobicContact CB-CG2 4.46Å; F219-V585 HydrophobicContact CD2-CG1 4.39Å; W582-V585 WeakPolarHBondContact O-CA 3.42Å; W582-V585 WeakPolarHBondContact O-CB 3.46Å; W582-V585 PolarHBondContact O-N 2.93Å; V585-M587 PolarHBondContact O-N 2.91Å; V585-L588 PolarHBondContact O-N 3.23Å; V585-L588 VanDerWaalsContact O-N 3.15Å; V585-E589 HydrophobicContact CG1-CG 4.46Å; V585-E589 WeakPolarHBondContact O-CG 3.41Å; V585-E589 PolarHBondContact O-N 3.15Å; V585-D698 HydrophobicContact CG2-CB 4.29Å |
| 586 | N | 97.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.8 | 176.8 | -86.6 | 0 | 0 | 0 | 111.2 | S570 W582 L588 E589 F590 | S570-N586 WeakPolarHBondContact CB-OD1 3.42Å; W582-N586 HydrophobicContact CD2-CB 4.4Å; W582-N586 HydrophobicContact CH2-CB 4.49Å; W582-N586 HydrophobicContact CZ2-CB 4.02Å; W582-N586 PolarHBondContact O-N 2.79Å; N586-L588 VanDerWaalsContact C-N 3.3Å; N586-L588 PolarHBondContact O-N 2.97Å; N586-E589 PolarHBondContact O-N 2.91Å; N586-F590 WeakPolarHBondContact O-CD2 3.18Å; N586-F590 PolarHBondContact O-N 2.79Å |
| 587 | M | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.8 | -44.1 | 176.9 | 174.1 | -179.8 | 55.7 | 0 | 0 | 111.8 | S583 I584 V585 Q591 T598 Y624 P625 V681 F701 | S583-M587 WeakPolarHBondContact O-CB 3.42Å; S583-M587 PolarHBondContact O-N 2.77Å; I584-M587 PolarHBondContact O-N 2.89Å; V585-M587 PolarHBondContact O-N 2.91Å; M587-Q591 VanDerWaalsContact O-CG 3.29Å; M587-Q591 WeakPolarHBondContact O-CG 3.46Å; M587-Q591 PolarHBondContact O-N 3.3Å; M587-Q591 PolarHBondContact O-NE2 2.84Å; M587-T598 HydrophobicContact CB-CG2 4.24Å; M587-T598 HydrophobicContact CG-CG2 3.9Å; M587-Y624 HydrophobicContact CE-CD1 4.14Å; M587-Y624 HydrophobicContact CE-CE1 4.4Å; M587-Y624 HydrophobicContact SD-CD1 3.63Å; M587-Y624 HydrophobicContact SD-CE1 4.39Å; M587-Y624 HydrophobicContact SD-CG 4.48Å; M587-P625 VanDerWaalsContact SD-CD 3.6Å; M587-V681 HydrophobicContact CE-CG1 3.85Å; M587-V681 HydrophobicContact CG-CB 4.45Å; M587-V681 HydrophobicContact CG-CG1 4.32Å; M587-V681 HydrophobicContact CG-CG2 4.41Å; M587-V681 HydrophobicContact SD-CB 4.38Å; M587-V681 HydrophobicContact SD-CG1 4.01Å; M587-V681 HydrophobicContact SD-CG2 3.95Å; M587-F701 HydrophobicContact CE-CD1 3.82Å; M587-F701 HydrophobicContact CE-CD2 4.05Å; M587-F701 HydrophobicContact CE-CE1 3.73Å; M587-F701 HydrophobicContact CE-CE2 3.93Å; M587-F701 HydrophobicContact CE-CG 3.97Å; M587-F701 HydrophobicContact CE-CZ 3.76Å |
| 588 | L | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.9 | -71.3 | 171.2 | 0 | 0 | 0 | 112.3 | F219 I584 V585 N586 Q591 V681 P683 F701 | F219-L588 HydrophobicContact CD2-CB 3.89Å; F219-L588 HydrophobicContact CD2-CD1 4.42Å; F219-L588 HydrophobicContact CE2-CB 3.6Å; F219-L588 HydrophobicContact CG-CD1 4.31Å; F219-L588 HydrophobicContact CZ-CB 4.02Å; I584-L588 HydrophobicContact CG2-CD1 4.02Å; I584-L588 HydrophobicContact CG2-CG 4.47Å; I584-L588 WeakPolarHBondContact O-CB 3.27Å; I584-L588 WeakPolarHBondContact O-CG 3.47Å; I584-L588 PolarHBondContact O-N 2.75Å; V585-L588 PolarHBondContact O-N 3.23Å; V585-L588 VanDerWaalsContact O-N 3.15Å; N586-L588 VanDerWaalsContact C-N 3.3Å; N586-L588 PolarHBondContact O-N 2.97Å; L588-Q591 WeakPolarHBondContact O-CB 3.42Å; L588-Q591 PolarHBondContact O-N 3.11Å; L588-V681 HydrophobicContact CD2-CG1 3.95Å; L588-P683 HydrophobicContact CD1-CB 4.43Å; L588-P683 HydrophobicContact CD2-CB 4.26Å; L588-F701 HydrophobicContact CD2-CB 4.06Å |
| 589 | E | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.9 | -72 | -177.4 | 137.6 | 0 | 0 | 112 | H216 F219 V585 N586 Q591 M592 F593 | H216-E589 IonicContact CE1-OE1 3.19Å; H216-E589 PolarHBondContact CE1-OE1 2.67Å; H216-E589 IonicContact CE1-OE2 3.23Å; H216-E589 IonicContact NE2-OE1 2.71Å; H216-E589 PolarHBondContact NE2-OE1 2.73Å; H216-E589 IonicContact NE2-OE2 2.74Å; H216-E589 PolarHBondContact NE2-OE2 3.38Å; F219-E589 HydrophobicContact CD2-CG 3.88Å; F219-E589 HydrophobicContact CE2-CG 3.64Å; V585-E589 HydrophobicContact CG1-CG 4.46Å; V585-E589 WeakPolarHBondContact O-CG 3.41Å; V585-E589 PolarHBondContact O-N 3.15Å; N586-E589 PolarHBondContact O-N 2.91Å; E589-Q591 PolarHBondContact O-N 2.95Å; E589-M592 WeakPolarHBondContact O-CA 3.36Å; E589-M592 VanDerWaalsContact O-CB 3.24Å; E589-M592 WeakPolarHBondContact O-CB 3.22Å; E589-M592 PolarHBondContact O-N 2.92Å; E589-F593 HydrophobicContact CB-CD2 4.45Å; E589-F593 HydrophobicContact CB-CE2 3.73Å; E589-F593 HydrophobicContact CB-CZ 3.95Å; E589-F593 WeakPolarHBondContact O-CD2 3.47Å; E589-F593 WeakPolarHBondContact O-CG 3.13Å; E589-F593 PolarHBondContact O-N 3.33Å |
| 590 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -66.6 | -19.5 | 178.2 | -88.8 | -93.4 | 0 | 0 | 0 | 113.9 | E213 H568 N586 M592 F593 G594 M595 T598 | E213-F590 HydrophobicContact CB-CE2 4.12Å; E213-F590 HydrophobicContact CB-CZ 4.12Å; E213-F590 HydrophobicContact CG-CE2 3.81Å; E213-F590 HydrophobicContact CG-CZ 4.05Å; H568-F590 HydrophobicContact CB-CD1 4.29Å; H568-F590 HydrophobicContact CB-CE1 4.17Å; H568-F590 AromaticContact CD2-CD1 3.5Å; H568-F590 VanDerWaalsContact CD2-CD1 3.5Å; H568-F590 WeakPolarHBondContact CD2-CD1 3.38Å; H568-F590 AromaticContact CD2-CE1 3.01Å; H568-F590 WeakPolarHBondContact CD2-CE1 3.34Å; H568-F590 AromaticContact CD2-CE2 3.73Å; H568-F590 AromaticContact CD2-CZ 3.15Å; H568-F590 WeakPolarHBondContact CD2-CZ 3.25Å; H568-F590 AromaticContact CE1-CZ 3.9Å; H568-F590 AromaticContact CG-CE1 3.59Å; H568-F590 AromaticContact NE2-CE1 3.41Å; H568-F590 WeakPolarHBondContact NE2-CE1 3.22Å; H568-F590 AromaticContact NE2-CE2 3.64Å; H568-F590 AromaticContact NE2-CZ 3.03Å; H568-F590 WeakPolarHBondContact NE2-CZ 3.42Å; N586-F590 WeakPolarHBondContact O-CD2 3.18Å; N586-F590 PolarHBondContact O-N 2.79Å; F590-M592 VanDerWaalsContact C-N 3.32Å; F590-F593 HydrophobicContact CD1-CD2 4.22Å; F590-F593 HydrophobicContact CD2-CD2 4.08Å; F590-F593 HydrophobicContact CD2-CE2 4.4Å; F590-F593 HydrophobicContact CE1-CD2 4.35Å; F590-F593 HydrophobicContact CE2-CD2 4.24Å; F590-F593 HydrophobicContact CE2-CE2 4.41Å; F590-F593 HydrophobicContact CG-CD2 4.06Å; F590-F593 HydrophobicContact CZ-CD2 4.36Å; F590-F593 PolarHBondContact O-N 3.19Å; F590-G594 PolarHBondContact O-N 3.15Å; F590-M595 HydrophobicContact CD1-CB 3.9Å; F590-M595 HydrophobicContact CD1-CG 4.44Å; F590-M595 HydrophobicContact CD1-SD 4.12Å; F590-M595 HydrophobicContact CE1-SD 4.08Å; F590-M595 CarbonylContact O-C 3.58Å; F590-M595 PolarHBondContact O-N 3.06Å; F590-T598 HydrophobicContact CB-CG2 3.79Å |
| 591 | Q | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | 167.6 | -51.3 | -65.8 | -49.5 | 0 | 0 | 111.4 | H310 M587 L588 E589 F593 P596 A679 V681 | H310-Q591 PolarHBondContact CE1-O 3.01Å; H310-Q591 VanDerWaalsContact CE1-O 3.27Å; M587-Q591 VanDerWaalsContact O-CG 3.29Å; M587-Q591 WeakPolarHBondContact O-CG 3.46Å; M587-Q591 PolarHBondContact O-N 3.3Å; M587-Q591 PolarHBondContact O-NE2 2.84Å; L588-Q591 WeakPolarHBondContact O-CB 3.42Å; L588-Q591 PolarHBondContact O-N 3.11Å; E589-Q591 PolarHBondContact O-N 2.95Å; Q591-F593 VanDerWaalsContact C-N 3.32Å; Q591-P596 PolarHBondContact NE2-O 2.91Å; Q591-P596 VanDerWaalsContact OE1-CB 3.31Å; Q591-A679 HydrophobicContact CB-CB 3.78Å; Q591-V681 HydrophobicContact CG-CB 3.94Å; Q591-V681 WeakPolarHBondContact CG-O 3.35Å |
| 592 | M | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 1.5 Ų | 1.5 | 1% | 0.005 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -71.3 | -30.8 | 174.7 | -57 | 175 | 51.3 | 0 | 0 | 111.6 | Y209 F219 F250 L252 L306 Y309 H310 E589 F590 G594 F686 | Y209-M592 WeakPolarHBondContact O-CE 3.23Å; F219-M592 HydrophobicContact CE2-SD 3.98Å; F219-M592 HydrophobicContact CZ-SD 3.58Å; F219-M592 VanDerWaalsContact CZ-SD 3.58Å; F250-M592 HydrophobicContact CD1-CE 4.18Å; F250-M592 HydrophobicContact CE1-CB 4.39Å; F250-M592 HydrophobicContact CE1-CE 3.86Å; L252-M592 HydrophobicContact CB-CE 3.46Å; L252-M592 VanDerWaalsContact CB-CE 3.46Å; L306-M592 HydrophobicContact CD1-CG 4.26Å; L306-M592 HydrophobicContact CD2-CB 3.99Å; L306-M592 HydrophobicContact CD2-CG 4.23Å; Y309-M592 WeakPolarHBondContact CD1-O 3.44Å; Y309-M592 WeakPolarHBondContact CE1-O 3.43Å; H310-M592 PolarHBondContact NE2-O 3Å; E589-M592 WeakPolarHBondContact O-CA 3.36Å; E589-M592 VanDerWaalsContact O-CB 3.24Å; E589-M592 WeakPolarHBondContact O-CB 3.22Å; E589-M592 PolarHBondContact O-N 2.92Å; F590-M592 VanDerWaalsContact C-N 3.32Å; M592-G594 PolarHBondContact O-N 3.2Å; M592-F686 HydrophobicContact CG-CZ 4.39Å |
| 593 | F | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 1.1 Ų | 1.1 | 0% | 0.004 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.9 | -179.2 | -53.8 | -29.8 | 0 | 0 | 0 | 114 | H248 E589 F590 Q591 M595 | H248-F593 HydrophobicContact CB-CB 4.21Å; H248-F593 HydrophobicContact CB-CD1 3.5Å; H248-F593 VanDerWaalsContact CB-CD1 3.5Å; H248-F593 HydrophobicContact CB-CD2 3.91Å; H248-F593 HydrophobicContact CB-CE1 3.75Å; H248-F593 HydrophobicContact CB-CE2 4.14Å; H248-F593 HydrophobicContact CB-CG 3.6Å; H248-F593 HydrophobicContact CB-CZ 4.07Å; H248-F593 AromaticContact CD2-CD2 3.79Å; H248-F593 AromaticContact CD2-CG 4Å; H248-F593 AromaticContact CG-CD2 3.85Å; H248-F593 AromaticContact CG-CG 3.61Å; E589-F593 HydrophobicContact CB-CD2 4.45Å; E589-F593 HydrophobicContact CB-CE2 3.73Å; E589-F593 HydrophobicContact CB-CZ 3.95Å; E589-F593 WeakPolarHBondContact O-CD2 3.47Å; E589-F593 WeakPolarHBondContact O-CG 3.13Å; E589-F593 PolarHBondContact O-N 3.33Å; F590-F593 HydrophobicContact CD1-CD2 4.22Å; F590-F593 HydrophobicContact CD2-CD2 4.08Å; F590-F593 HydrophobicContact CD2-CE2 4.4Å; F590-F593 HydrophobicContact CE1-CD2 4.35Å; F590-F593 HydrophobicContact CE2-CD2 4.24Å; F590-F593 HydrophobicContact CE2-CE2 4.41Å; F590-F593 HydrophobicContact CG-CD2 4.06Å; F590-F593 HydrophobicContact CZ-CD2 4.36Å; F590-F593 PolarHBondContact O-N 3.19Å; Q591-F593 VanDerWaalsContact C-N 3.32Å; F593-M595 VanDerWaalsContact C-N 3.34Å |
| 594 | G | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 1 Ų | 1 | 1% | 0.01 | 1% | 0.006 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 22.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H310 G563 F590 M592 | H310-G594 PolarHBondContact NE2-N 2.83Å; G563-G594 WeakPolarHBondContact CA-O 3.49Å; F590-G594 PolarHBondContact O-N 3.15Å; M592-G594 PolarHBondContact O-N 3.2Å |
| 595 | M | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.01 | 1% | 0.011 | C | C | . | . | trans | -126.7 | 68.2 | -179.2 | -62 | -168.6 | 77.7 | 0 | 0 | 110.4 | A566 H568 F590 F593 M597 | A566-M595 VanDerWaalsContact O-CE 3.28Å; A566-M595 WeakPolarHBondContact O-CE 3.46Å; H568-M595 HydrophobicContact CB-CE 3.58Å; H568-M595 HydrophobicContact CB-SD 4.26Å; F590-M595 HydrophobicContact CD1-CB 3.9Å; F590-M595 HydrophobicContact CD1-CG 4.44Å; F590-M595 HydrophobicContact CD1-SD 4.12Å; F590-M595 HydrophobicContact CE1-SD 4.08Å; F590-M595 CarbonylContact O-C 3.58Å; F590-M595 PolarHBondContact O-N 3.06Å; F593-M595 VanDerWaalsContact C-N 3.34Å; M595-M597 VanDerWaalsContact C-N 3.29Å; M595-M597 PolarHBondContact O-N 3.38Å | ||
| 596 | P | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 3.3 Ų | 3.3 | 3% | 0.026 | 2% | 0.017 | C | C | . | . | trans | -68.8 | -26.2 | -171 | 29.1 | -35.9 | 0 | 0 | 0 | 113.4 | P316 Q591 T598 P625 L670 A673 V680 | P316-P596 HydrophobicContact CB-CG 3.75Å; P316-P596 HydrophobicContact CG-CG 3.68Å; Q591-P596 PolarHBondContact NE2-O 2.91Å; Q591-P596 VanDerWaalsContact OE1-CB 3.31Å; P596-T598 VanDerWaalsContact C-N 3.33Å; P596-T598 PolarHBondContact O-N 2.85Å; P596-P625 WeakPolarHBondContact O-CB 3.5Å; P596-P625 WeakPolarHBondContact O-CG 3.1Å; P596-L670 HydrophobicContact CB-CD2 4.43Å; P596-L670 HydrophobicContact CG-CD2 4.2Å; P596-A673 HydrophobicContact CG-CB 4.2Å; P596-V680 HydrophobicContact CB-CB 3.96Å; P596-V680 HydrophobicContact CB-CG2 3.68Å; P596-V680 HydrophobicContact CG-CG2 4.29Å | ||
| 597 | M | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 4.2 Ų | 4.2 | 3% | 0.025 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -77.7 | 85.7 | 170 | -78.2 | -65 | -78.6 | 0 | 0 | 109.4 | P319 L324 I567 H568 M595 P625 L670 | P319-M597 HydrophobicContact CB-CE 4.23Å; P319-M597 HydrophobicContact CB-CG 4.49Å; P319-M597 HydrophobicContact CG-CE 3.95Å; P319-M597 HydrophobicContact CG-CG 3.85Å; P319-M597 HydrophobicContact CG-SD 4.07Å; L324-M597 HydrophobicContact CD1-CE 4.4Å; I567-M597 HydrophobicContact CB-CB 3.77Å; I567-M597 WeakPolarHBondContact CB-O 3.19Å; I567-M597 HydrophobicContact CG2-CB 3.39Å; I567-M597 HydrophobicContact CG2-CG 4.1Å; H568-M597 PolarHBondContact N-O 3.04Å; M595-M597 VanDerWaalsContact C-N 3.29Å; M595-M597 PolarHBondContact O-N 3.38Å; M597-P625 HydrophobicContact SD-CB 3.87Å; M597-L670 HydrophobicContact CG-CD1 4.39Å; M597-L670 HydrophobicContact CG-CD2 3.7Å; M597-L670 HydrophobicContact SD-CD1 3.68Å; M597-L670 HydrophobicContact SD-CD2 3.9Å; M597-L670 HydrophobicContact SD-CG 4.45Å |
| 598 | T | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 158.7 | -179.9 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | H568 M587 F590 P596 P625 F626 | H568-T598 WeakPolarHBondContact O-CA 3.25Å; M587-T598 HydrophobicContact CB-CG2 4.24Å; M587-T598 HydrophobicContact CG-CG2 3.9Å; F590-T598 HydrophobicContact CB-CG2 3.79Å; P596-T598 VanDerWaalsContact C-N 3.33Å; P596-T598 PolarHBondContact O-N 2.85Å; T598-P625 WeakPolarHBondContact O-CD 3.37Å; T598-F626 PolarHBondContact O-N 2.95Å |
| 599 | G | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 157.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W569 S570 F626 | W569-G599 WeakPolarHBondContact CA-O 3.49Å; W569-G599 VanDerWaalsContact CB-O 3.32Å; W569-G599 WeakPolarHBondContact CB-O 3.47Å; S570-G599 PolarHBondContact N-O 3.07Å; G599-F626 WeakPolarHBondContact CA-O 3.26Å |
| 600 | S | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | trans | -93.2 | 160.4 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | S570 S583 I602 | S570-S600 VanDerWaalsContact OG-CA 3.31Å; S570-S600 WeakPolarHBondContact OG-CA 3.4Å; S570-S600 WeakPolarHBondContact OG-CB 3.37Å; S570-S600 PolarHBondContact OG-OG 3.22Å; S583-S600 VanDerWaalsContact CB-OG 3.23Å; S583-S600 WeakPolarHBondContact CB-OG 3.31Å; S600-I602 PolarHBondContact O-N 3.32Å; S600-I602 VanDerWaalsContact O-N 3.13Å | ||
| 601 | D | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -66.5 | 115.8 | 174.1 | -71.3 | -35 | 0 | 0 | 0 | 110.5 | N573 C603 G604 F605 R628 H630 | N573-D601 PolarHBondContact ND2-O 3.46Å; N573-D601 VanDerWaalsContact ND2-O 3.11Å; N573-D601 WeakPolarHBondContact OD1-CB 3.42Å; N573-D601 PolarHBondContact OD1-N 2.97Å; N573-D601 VanDerWaalsContact OD1-N 3.11Å; D601-C603 PolarHBondContact O-N 3.5Å; D601-G604 PolarHBondContact O-N 3.47Å; D601-F605 HydrophobicContact CB-CB 4.45Å; D601-R628 VanDerWaalsContact CG-NH2 3.35Å; D601-R628 IonicContact OD1-CZ 3.13Å; D601-R628 VanDerWaalsContact OD1-CZ 3.23Å; D601-R628 IonicContact OD1-NE 3.9Å; D601-R628 PolarHBondContact OD1-NE 2.76Å; D601-R628 IonicContact OD1-NH2 3.5Å; D601-R628 PolarHBondContact OD1-NH2 3.49Å; D601-R628 IonicContact OD2-NH2 3.7Å; D601-R628 PolarHBondContact OD2-NH2 2.72Å; D601-H630 HydrophobicContact CB-CB 4.05Å; D601-H630 WeakPolarHBondContact OD1-CB 3.27Å; D601-H630 IonicContact OD2-CD2 3.14Å; D601-H630 PolarHBondContact OD2-CD2 2.89Å; D601-H630 IonicContact OD2-CG 3.37Å | ||
| 602 | I | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 126.9 | -175.5 | -65.4 | 169.5 | 0 | 0 | 0 | 108.8 | F326 S600 G604 W617 Y624 S627 R628 N629 | F326-I602 HydrophobicContact CE2-CD1 4.07Å; S600-I602 PolarHBondContact O-N 3.32Å; S600-I602 VanDerWaalsContact O-N 3.13Å; I602-G604 VanDerWaalsContact C-N 3.31Å; I602-W617 HydrophobicContact CG2-CB 4.41Å; I602-W617 HydrophobicContact CG2-CG 4.4Å; I602-Y624 HydrophobicContact CG1-CD2 4.43Å; I602-Y624 HydrophobicContact CG1-CE2 4.23Å; I602-S627 WeakPolarHBondContact CD1-OG 3.24Å; I602-R628 WeakPolarHBondContact CB-O 3.11Å; I602-R628 VanDerWaalsContact CG1-O 3.27Å; I602-R628 WeakPolarHBondContact CG1-O 3Å; I602-R628 PolarHBondContact N-O 3.12Å; I602-N629 HydrophobicContact CB-CB 4.38Å; I602-N629 PolarHBondContact O-ND2 2.89Å |
| 603 | C | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -3.8 | -172.2 | -47.2 | 0 | 0 | 0 | 0 | 115.4 | S575 D601 A609 C614 W617 | S575-C603 WeakPolarHBondContact CB-O 3.47Å; S575-C603 PolarHBondContact OG-O 2.79Å; D601-C603 PolarHBondContact O-N 3.5Å; C603-A609 HydrophobicContact CB-CB 4.13Å; C603-A609 WeakPolarHBondContact O-CB 3.34Å; C603-C614 HydrophobicContact CB-CB 3.7Å; C603-C614 WeakPolarHBondContact CB-SG 3.4Å; C603-C614 WeakPolarHBondContact SG-CA 3.49Å; C603-C614 WeakPolarHBondContact SG-CB 3.31Å; C603-C614 PolarHBondContact SG-O 2.86Å; C603-C614 CovalentContact SG-SG 2.03Å; C603-C614 PolarHBondContact SG-SG 2.92Å; C603-W617 VanDerWaalsContact C-CE3 3.43Å; C603-W617 VanDerWaalsContact CA-CE3 3.42Å; C603-W617 VanDerWaalsContact N-CD2 3.29Å |
| 604 | G | 96.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | 90.5 | 143.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N573 D601 I602 Q639 | N573-G604 WeakPolarHBondContact ND2-CA 3.38Å; D601-G604 PolarHBondContact O-N 3.47Å; I602-G604 VanDerWaalsContact C-N 3.31Å; G604-Q639 PolarHBondContact O-NE2 3.32Å | ||
| 605 | F | 96.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 16.2 Ų | 16.2 | 9% | 0.092 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -84.1 | -53.6 | 175.5 | 178.3 | -104.2 | 0 | 0 | 0 | 111.8 | F331 D572 N573 D601 H630 S632 | F331-F605 HydrophobicContact CB-CE2 4.16Å; F331-F605 HydrophobicContact CD1-CZ 4.35Å; D572-F605 HydrophobicContact CB-CD1 3.54Å; D572-F605 HydrophobicContact CB-CE1 4.01Å; D572-F605 HydrophobicContact CB-CG 4.4Å; N573-F605 WeakPolarHBondContact O-CA 3.32Å; N573-F605 PolarHBondContact O-N 2.6Å; D601-F605 HydrophobicContact CB-CB 4.45Å; F605-H630 AromaticContact CD2-CD2 3.61Å; F605-H630 AromaticContact CD2-NE2 3.76Å; F605-H630 AromaticContact CE2-CD2 3.91Å; F605-H630 AromaticContact CE2-NE2 3.54Å; F605-S632 WeakPolarHBondContact O-CB 3.21Å; F605-S632 PolarHBondContact O-N 3.06Å |
| 606 | I | 95.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 14% | 0.138 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -90.8 | 131 | -176.2 | -50 | -178.3 | 0 | 0 | 0 | 111.5 | A236 D572 N573 W574 S575 | A236-I606 HydrophobicContact CB-CD1 3.56Å; D572-I606 HydrophobicContact CB-CD1 4.01Å; D572-I606 HydrophobicContact CB-CG1 4.2Å; D572-I606 VanDerWaalsContact O-CD1 3.31Å; D572-I606 WeakPolarHBondContact O-CD1 3.12Å; D572-I606 WeakPolarHBondContact O-CG1 3.48Å; N573-I606 PolarHBondContact O-N 2.86Å; N573-I606 VanDerWaalsContact O-N 3.08Å; W574-I606 HydrophobicContact CD2-CB 3.85Å; W574-I606 HydrophobicContact CD2-CD1 4.44Å; W574-I606 HydrophobicContact CD2-CG2 3.88Å; W574-I606 HydrophobicContact CE3-CB 3.86Å; W574-I606 HydrophobicContact CE3-CG2 3.51Å; W574-I606 HydrophobicContact CG-CB 4.27Å; W574-I606 HydrophobicContact CH2-CG2 3.58Å; W574-I606 HydrophobicContact CZ2-CD1 4.12Å; W574-I606 HydrophobicContact CZ2-CG2 3.93Å; W574-I606 HydrophobicContact CZ3-CB 4.23Å; W574-I606 HydrophobicContact CZ3-CG2 3.36Å; S575-I606 WeakPolarHBondContact CB-O 3.31Å; S575-I606 PolarHBondContact N-O 2.98Å; S575-I606 PolarHBondContact OG-O 2.86Å |
| 607 | G | 94.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 16 Ų | 16 | 21% | 0.206 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 78.2 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S575 | S575-G607 WeakPolarHBondContact CB-O 3.41Å; S575-G607 PolarHBondContact OG-O 3.25Å |
| 608 | T | 94.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 16.1 Ų | 16.1 | 51% | 0.509 | 9% | 0.091 | S | C | . | . | P | Polyproline II helix | trans | -93.6 | 121.4 | -170.8 | -51.5 | 0 | 0 | 0 | 0 | 112 | V635 R637 | T608-V635 VanDerWaalsContact OG1-CG1 3.23Å; T608-V635 WeakPolarHBondContact OG1-CG1 3.46Å; T608-R637 HydrophobicContact CG2-CB 4.18Å |
| 609 | A | 95.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 140.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C603 L613 C614 R637 W644 | C603-A609 HydrophobicContact CB-CB 4.13Å; C603-A609 WeakPolarHBondContact O-CB 3.34Å; A609-L613 HydrophobicContact CB-CD2 4.38Å; A609-C614 HydrophobicContact CB-CB 4.21Å; A609-R637 PolarHBondContact O-NH1 2.58Å; A609-W644 HydrophobicContact CB-CH2 4.37Å |
| 610 | D | 95.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 16.3 Ų | 16.3 | 40% | 0.401 | 9% | 0.091 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 167.8 | 159.6 | 73 | 58.1 | 0 | 0 | 0 | 111 | E612 L613 C614 | D610-E612 PolarHBondContact O-N 2.82Å; D610-E612 WeakPolarHBondContact OD1-CA 3.12Å; D610-E612 WeakPolarHBondContact OD1-CB 3.14Å; D610-E612 PolarHBondContact OD1-N 3.03Å; D610-L613 PolarHBondContact OD1-N 2.82Å; D610-C614 WeakPolarHBondContact O-CB 3.23Å; D610-C614 PolarHBondContact O-N 2.74Å |
| 611 | E | 97.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 16.2 Ų | 16.2 | 27% | 0.271 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -68.8 | -33.6 | -174.7 | -178.6 | 166.1 | -166.5 | 0 | 0 | 113.2 | L615 W644 S645 T648 | E611-L615 WeakPolarHBondContact O-CB 3.21Å; E611-L615 PolarHBondContact O-N 3.28Å; E611-W644 HydrophobicContact CB-CE3 3.57Å; E611-W644 HydrophobicContact CB-CZ3 3.61Å; E611-W644 HydrophobicContact CG-CD2 4.45Å; E611-W644 HydrophobicContact CG-CE3 3.67Å; E611-W644 HydrophobicContact CG-CZ3 4.23Å; E611-S645 WeakPolarHBondContact OE1-CB 3.33Å; E611-S645 PolarHBondContact OE1-N 3.46Å; E611-S645 VanDerWaalsContact OE1-N 3.12Å; E611-S645 PolarHBondContact OE1-OG 3.44Å; E611-T648 HydrophobicContact CG-CG2 4.22Å; E611-T648 WeakPolarHBondContact OE1-CB 3.45Å; E611-T648 PolarHBondContact OE1-OG1 3.2Å |
| 612 | E | 98.1 | Very high | 97.4 | Very high | 37 Ų | 37 | 16.2 Ų | 16.2 | 17% | 0.173 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.8 | -47.2 | 178.7 | -173.9 | -175.8 | -166 | 0 | 0 | 110.5 | W577 D610 C614 L615 R616 N716 | W577-E612 HydrophobicContact CH2-CG 4.09Å; W577-E612 HydrophobicContact CZ2-CB 4.39Å; W577-E612 HydrophobicContact CZ2-CG 3.89Å; D610-E612 PolarHBondContact O-N 2.82Å; D610-E612 WeakPolarHBondContact OD1-CA 3.12Å; D610-E612 WeakPolarHBondContact OD1-CB 3.14Å; D610-E612 PolarHBondContact OD1-N 3.03Å; E612-C614 VanDerWaalsContact C-N 3.35Å; E612-C614 PolarHBondContact O-N 3.11Å; E612-L615 PolarHBondContact O-N 3.32Å; E612-R616 PolarHBondContact O-N 2.86Å; E612-N716 VanDerWaalsContact CD-N 3.32Å; E612-N716 WeakPolarHBondContact OE1-CA 3.33Å; E612-N716 PolarHBondContact OE1-N 3.35Å; E612-N716 PolarHBondContact OE2-N 3.39Å |
| 613 | L | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | 176 | 177.2 | 63.4 | 0 | 0 | 0 | 110 | S575 W577 L580 A609 D610 L615 R616 W617 | S575-L613 VanDerWaalsContact C-CD2 3.44Å; S575-L613 WeakPolarHBondContact O-CD2 3.32Å; W577-L613 HydrophobicContact CD2-CD1 3.83Å; W577-L613 HydrophobicContact CE3-CD1 4.23Å; W577-L613 HydrophobicContact CG-CD1 4.02Å; W577-L613 HydrophobicContact CZ2-CB 4.29Å; W577-L613 HydrophobicContact CZ2-CD1 4.48Å; L580-L613 HydrophobicContact CB-CD1 4.24Å; L580-L613 HydrophobicContact CD2-CD1 4.29Å; A609-L613 HydrophobicContact CB-CD2 4.38Å; D610-L613 PolarHBondContact OD1-N 2.82Å; L613-L615 VanDerWaalsContact C-N 3.34Å; L613-L615 PolarHBondContact O-N 3.38Å; L613-R616 PolarHBondContact O-N 3.09Å; L613-W617 HydrophobicContact CD1-CE3 4.12Å; L613-W617 HydrophobicContact CG-CE3 4.2Å; L613-W617 VanDerWaalsContact O-CB 3.28Å; L613-W617 WeakPolarHBondContact O-CB 3.47Å; L613-W617 PolarHBondContact O-N 2.87Å |
| 614 | C | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -34.7 | -178.1 | -171.5 | 0 | 0 | 0 | 0 | 112.8 | C603 A609 D610 E612 S618 W644 | C603-C614 HydrophobicContact CB-CB 3.7Å; C603-C614 WeakPolarHBondContact CB-SG 3.4Å; C603-C614 WeakPolarHBondContact SG-CA 3.49Å; C603-C614 WeakPolarHBondContact SG-CB 3.31Å; C603-C614 PolarHBondContact SG-O 2.86Å; C603-C614 CovalentContact SG-SG 2.03Å; C603-C614 PolarHBondContact SG-SG 2.92Å; A609-C614 HydrophobicContact CB-CB 4.21Å; D610-C614 WeakPolarHBondContact O-CB 3.23Å; D610-C614 PolarHBondContact O-N 2.74Å; E612-C614 VanDerWaalsContact C-N 3.35Å; E612-C614 PolarHBondContact O-N 3.11Å; C614-S618 VanDerWaalsContact O-CB 3.28Å; C614-S618 WeakPolarHBondContact O-CB 3.31Å; C614-S618 PolarHBondContact O-N 3.44Å; C614-S618 PolarHBondContact O-OG 3.42Å; C614-W644 HydrophobicContact CB-CH2 3.84Å; C614-W644 HydrophobicContact CB-CZ2 3.5Å; C614-W644 HydrophobicContact CB-CZ3 4.49Å; C614-W644 WeakPolarHBondContact SG-CZ2 3.22Å; C614-W644 PolarHBondContact SG-NE1 3.11Å |
| 615 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 172.3 | 171.1 | 60.9 | 0 | 0 | 0 | 111.9 | E611 E612 L613 W617 S618 Q619 T648 S651 K751 Y752 | E611-L615 WeakPolarHBondContact O-CB 3.21Å; E611-L615 PolarHBondContact O-N 3.28Å; E612-L615 PolarHBondContact O-N 3.32Å; L613-L615 VanDerWaalsContact C-N 3.34Å; L613-L615 PolarHBondContact O-N 3.38Å; L615-W617 VanDerWaalsContact C-N 3.34Å; L615-S618 PolarHBondContact O-N 3.18Å; L615-Q619 WeakPolarHBondContact O-CG 2.91Å; L615-Q619 PolarHBondContact O-N 2.82Å; L615-T648 HydrophobicContact CB-CG2 4.15Å; L615-T648 HydrophobicContact CD1-CG2 4.25Å; L615-S651 WeakPolarHBondContact CD1-OG 3.24Å; L615-K751 HydrophobicContact CD2-CG 3.94Å; L615-Y752 HydrophobicContact CD1-CD1 4.36Å; L615-Y752 HydrophobicContact CD2-CD1 3.82Å; L615-Y752 HydrophobicContact CD2-CE1 3.83Å |
| 616 | R | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | 178.9 | -68.8 | -49.2 | -165 | 177 | 2.5 | 111.7 | W577 L580 E612 L613 Q619 L620 S717 V749 D750 K751 A753 | W577-R616 HydrophobicContact CH2-CB 3.99Å; W577-R616 HydrophobicContact CH2-CG 3.67Å; W577-R616 HydrophobicContact CZ3-CB 4.08Å; W577-R616 HydrophobicContact CZ3-CG 4.08Å; L580-R616 HydrophobicContact CD2-CB 4.4Å; E612-R616 PolarHBondContact O-N 2.86Å; L613-R616 PolarHBondContact O-N 3.09Å; R616-Q619 WeakPolarHBondContact O-CB 3.42Å; R616-Q619 PolarHBondContact O-N 3.08Å; R616-L620 PolarHBondContact O-N 2.79Å; R616-S717 PolarHBondContact NH2-O 3.22Å; R616-V749 PolarHBondContact NH2-O 3.01Å; R616-D750 PolarHBondContact NH1-O 3.29Å; R616-D750 VanDerWaalsContact NH1-O 3.09Å; R616-K751 PolarHBondContact NH1-O 3.06Å; R616-A753 PolarHBondContact NH1-O 3.36Å |
| 617 | W | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 174 | -149.8 | -29.5 | 0 | 0 | 0 | 111.9 | N573 W574 D579 L580 I602 C603 L613 L615 Q619 L620 G621 Y624 | N573-W617 WeakPolarHBondContact ND2-CH2 3.48Å; N573-W617 WeakPolarHBondContact ND2-CZ2 3.15Å; W574-W617 WeakPolarHBondContact O-CH2 3.37Å; D579-W617 HydrophobicContact CB-CH2 3.9Å; L580-W617 HydrophobicContact CB-CD2 4.34Å; L580-W617 HydrophobicContact CB-CE3 4.31Å; L580-W617 VanDerWaalsContact CD1-CA 3.46Å; L580-W617 HydrophobicContact CD1-CB 3.63Å; L580-W617 HydrophobicContact CD1-CD2 3.67Å; L580-W617 HydrophobicContact CD1-CE3 4.32Å; L580-W617 HydrophobicContact CD1-CG 3.35Å; I602-W617 HydrophobicContact CG2-CB 4.41Å; I602-W617 HydrophobicContact CG2-CG 4.4Å; C603-W617 VanDerWaalsContact C-CE3 3.43Å; C603-W617 VanDerWaalsContact CA-CE3 3.42Å; C603-W617 VanDerWaalsContact N-CD2 3.29Å; L613-W617 HydrophobicContact CD1-CE3 4.12Å; L613-W617 HydrophobicContact CG-CE3 4.2Å; L613-W617 VanDerWaalsContact O-CB 3.28Å; L613-W617 WeakPolarHBondContact O-CB 3.47Å; L613-W617 PolarHBondContact O-N 2.87Å; L615-W617 VanDerWaalsContact C-N 3.34Å; W617-Q619 PolarHBondContact O-N 3.11Å; W617-L620 PolarHBondContact O-N 3.48Å; W617-G621 WeakPolarHBondContact O-CA 3.4Å; W617-G621 PolarHBondContact O-N 2.97Å; W617-Y624 AromaticContact NE1-CE2 3.98Å; W617-Y624 AromaticContact NE1-CZ 3.95Å; W617-Y624 PolarHBondContact NE1-OH 3.26Å |
| 618 | S | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 13 Ų | 13 | 5% | 0.049 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | C614 L615 A622 | C614-S618 VanDerWaalsContact O-CB 3.28Å; C614-S618 WeakPolarHBondContact O-CB 3.31Å; C614-S618 PolarHBondContact O-N 3.44Å; C614-S618 PolarHBondContact O-OG 3.42Å; L615-S618 PolarHBondContact O-N 3.18Å; S618-A622 WeakPolarHBondContact O-CB 2.94Å; S618-A622 PolarHBondContact O-N 3.11Å; S618-A622 VanDerWaalsContact O-N 3.15Å |
| 619 | Q | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 9.1 Ų | 9.1 | 2% | 0.019 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 172.9 | -73.3 | 166.7 | -0.5 | 0 | 0 | 111.7 | L615 R616 W617 F623 K751 A753 I754 | L615-Q619 WeakPolarHBondContact O-CG 2.91Å; L615-Q619 PolarHBondContact O-N 2.82Å; R616-Q619 WeakPolarHBondContact O-CB 3.42Å; R616-Q619 PolarHBondContact O-N 3.08Å; W617-Q619 PolarHBondContact O-N 3.11Å; Q619-F623 WeakPolarHBondContact O-CD2 3.31Å; Q619-K751 PolarHBondContact NE2-O 3.19Å; Q619-A753 VanDerWaalsContact CD-O 3.28Å; Q619-A753 PolarHBondContact NE2-O 2.88Å; Q619-A753 PolarHBondContact OE1-O 3.28Å; Q619-A753 VanDerWaalsContact OE1-O 3.09Å; Q619-I754 HydrophobicContact CB-CB 4.25Å; Q619-I754 HydrophobicContact CB-CD1 4.27Å; Q619-I754 WeakPolarHBondContact O-CD1 3.23Å |
| 620 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.9 | -53.9 | 176.6 | 169.3 | 54.4 | 0 | 0 | 0 | 112.1 | L580 I584 R616 W617 A622 F623 Y624 F701 P711 | L580-L620 HydrophobicContact CD1-CB 4.33Å; L580-L620 HydrophobicContact CD1-CD2 3.66Å; L580-L620 HydrophobicContact CG-CD2 4.22Å; I584-L620 HydrophobicContact CD1-CD1 4.38Å; I584-L620 HydrophobicContact CD1-CD2 4.06Å; I584-L620 HydrophobicContact CG1-CD1 4.14Å; I584-L620 HydrophobicContact CG1-CD2 3.79Å; R616-L620 PolarHBondContact O-N 2.79Å; W617-L620 PolarHBondContact O-N 3.48Å; L620-A622 PolarHBondContact O-N 3.31Å; L620-F623 WeakPolarHBondContact O-CA 3.48Å; L620-F623 WeakPolarHBondContact O-CB 3.38Å; L620-F623 PolarHBondContact O-N 3.36Å; L620-Y624 HydrophobicContact CD1-CE1 3.97Å; L620-Y624 HydrophobicContact CD2-CE1 4.21Å; L620-Y624 HydrophobicContact CG-CE1 3.72Å; L620-F701 HydrophobicContact CD1-CE1 3.53Å; L620-F701 HydrophobicContact CD1-CZ 3.84Å; L620-P711 HydrophobicContact CB-CB 4.15Å; L620-P711 HydrophobicContact CD1-CB 4.15Å; L620-P711 HydrophobicContact CD1-CG 4.01Å |
| 621 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -67.9 | -17.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W617 F623 Y624 S627 | W617-G621 WeakPolarHBondContact O-CA 3.4Å; W617-G621 PolarHBondContact O-N 2.97Å; G621-F623 PolarHBondContact O-N 3Å; G621-F623 VanDerWaalsContact O-N 3.15Å; G621-Y624 VanDerWaalsContact CA-CD2 3.48Å; G621-Y624 VanDerWaalsContact CA-CE2 3.48Å; G621-Y624 PolarHBondContact O-N 3.23Å; G621-S627 WeakPolarHBondContact O-CB 3.18Å; G621-S627 PolarHBondContact O-OG 2.97Å |
| 622 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S618 L620 V655 L656 R659 | S618-A622 WeakPolarHBondContact O-CB 2.94Å; S618-A622 PolarHBondContact O-N 3.11Å; S618-A622 VanDerWaalsContact O-N 3.15Å; L620-A622 PolarHBondContact O-N 3.31Å; A622-V655 HydrophobicContact CB-CB 4.45Å; A622-V655 HydrophobicContact CB-CG1 4.06Å; A622-V655 HydrophobicContact CB-CG2 3.81Å; A622-L656 HydrophobicContact CB-CD2 4.02Å; A622-R659 HydrophobicContact CB-CB 4.48Å; A622-R659 WeakPolarHBondContact O-CB 3.37Å; A622-R659 VanDerWaalsContact O-CD 3.22Å; A622-R659 WeakPolarHBondContact O-CD 3.15Å; A622-R659 VanDerWaalsContact O-CG 3.25Å; A622-R659 WeakPolarHBondContact O-CG 3.49Å; A622-R659 PolarHBondContact O-NH1 3.41Å |
| 623 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 11.6 | 177.2 | -59.7 | -79.6 | 0 | 0 | 0 | 114 | Q619 L620 G621 V655 L658 L662 F701 W703 V709 I754 M756 | Q619-F623 WeakPolarHBondContact O-CD2 3.31Å; L620-F623 WeakPolarHBondContact O-CA 3.48Å; L620-F623 WeakPolarHBondContact O-CB 3.38Å; L620-F623 PolarHBondContact O-N 3.36Å; G621-F623 PolarHBondContact O-N 3Å; G621-F623 VanDerWaalsContact O-N 3.15Å; F623-V655 HydrophobicContact CE2-CG2 3.69Å; F623-V655 HydrophobicContact CZ-CG2 4.25Å; F623-L658 HydrophobicContact CZ-CD2 4.07Å; F623-L658 HydrophobicContact CZ-CG 4.19Å; F623-L662 HydrophobicContact CE1-CD1 4.18Å; F623-F701 HydrophobicContact CB-CE2 4.13Å; F623-F701 HydrophobicContact CB-CZ 3.99Å; F623-W703 HydrophobicContact CB-CZ2 4.04Å; F623-W703 HydrophobicContact CD1-CD2 4.49Å; F623-W703 HydrophobicContact CD1-CH2 4.11Å; F623-W703 AromaticContact CD1-CZ2 3.99Å; F623-W703 HydrophobicContact CD1-CZ2 3.99Å; F623-W703 HydrophobicContact CD1-CZ3 4.42Å; F623-W703 WeakPolarHBondContact O-CZ2 3.49Å; F623-W703 PolarHBondContact O-NE1 3.02Å; F623-V709 HydrophobicContact CB-CG1 4.35Å; F623-V709 HydrophobicContact CB-CG2 4.26Å; F623-V709 HydrophobicContact CD1-CG2 4.21Å; F623-V709 HydrophobicContact CD2-CG1 4.16Å; F623-V709 HydrophobicContact CG-CG1 4.24Å; F623-V709 HydrophobicContact CG-CG2 4.11Å; F623-I754 HydrophobicContact CD2-CD1 3.81Å; F623-I754 HydrophobicContact CE2-CD1 3.92Å; F623-I754 HydrophobicContact CE2-CG2 3.98Å; F623-M756 HydrophobicContact CD1-CE 4.09Å; F623-M756 HydrophobicContact CE1-CE 3.24Å; F623-M756 HydrophobicContact CE1-SD 3.7Å; F623-M756 HydrophobicContact CE2-CE 4.39Å; F623-M756 HydrophobicContact CE2-SD 3.76Å; F623-M756 HydrophobicContact CZ-CE 3.44Å; F623-M756 VanDerWaalsContact CZ-CE 3.44Å; F623-M756 HydrophobicContact CZ-SD 3.18Å; F623-M756 WeakPolarHBondContact CZ-SD 3.3Å |
| 624 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -72.2 | 138 | 161.5 | -61.2 | -23.6 | 0 | 0 | 0 | 109.8 | S583 M587 I602 W617 L620 G621 F626 R659 | S583-Y624 WeakPolarHBondContact CB-OH 3.41Å; S583-Y624 PolarHBondContact OG-OH 3.2Å; M587-Y624 HydrophobicContact CE-CD1 4.14Å; M587-Y624 HydrophobicContact CE-CE1 4.4Å; M587-Y624 HydrophobicContact SD-CD1 3.63Å; M587-Y624 HydrophobicContact SD-CE1 4.39Å; M587-Y624 HydrophobicContact SD-CG 4.48Å; I602-Y624 HydrophobicContact CG1-CD2 4.43Å; I602-Y624 HydrophobicContact CG1-CE2 4.23Å; W617-Y624 AromaticContact NE1-CE2 3.98Å; W617-Y624 AromaticContact NE1-CZ 3.95Å; W617-Y624 PolarHBondContact NE1-OH 3.26Å; L620-Y624 HydrophobicContact CD1-CE1 3.97Å; L620-Y624 HydrophobicContact CD2-CE1 4.21Å; L620-Y624 HydrophobicContact CG-CE1 3.72Å; G621-Y624 VanDerWaalsContact CA-CD2 3.48Å; G621-Y624 VanDerWaalsContact CA-CE2 3.48Å; G621-Y624 PolarHBondContact O-N 3.23Å; Y624-F626 VanDerWaalsContact C-N 3.26Å; Y624-F626 WeakPolarHBondContact CB-O 3.48Å; Y624-F626 PolarHBondContact O-N 3.5Å; Y624-R659 PolarHBondContact O-NH1 2.99Å; Y624-R659 PolarHBondContact O-NH2 3.38Å; Y624-R659 VanDerWaalsContact O-NH2 3.15Å |
| 625 | P | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -51 | -46.1 | 170.9 | -32.7 | 40 | 0 | 0 | 0 | 112.6 | M587 P596 M597 T598 R659 V681 | M587-P625 VanDerWaalsContact SD-CD 3.6Å; P596-P625 WeakPolarHBondContact O-CB 3.5Å; P596-P625 WeakPolarHBondContact O-CG 3.1Å; M597-P625 HydrophobicContact SD-CB 3.87Å; T598-P625 WeakPolarHBondContact O-CD 3.37Å; P625-R659 PolarHBondContact O-NH2 3.11Å; P625-V681 HydrophobicContact CG-CG2 3.43Å; P625-V681 VanDerWaalsContact CG-CG2 3.43Å |
| 626 | F | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -98.9 | 114.8 | 167 | 177 | -121 | 0 | 0 | 0 | 110.6 | F357 F552 L554 I567 W569 T598 G599 Y624 R628 | F357-F626 HydrophobicContact CE2-CE2 4.32Å; F357-F626 HydrophobicContact CE2-CZ 4.18Å; F357-F626 HydrophobicContact CZ-CE2 4.01Å; F357-F626 AromaticContact CZ-CZ 3.77Å; F357-F626 HydrophobicContact CZ-CZ 3.77Å; F552-F626 HydrophobicContact CZ-CD2 4.41Å; F552-F626 AromaticContact CZ-CE2 3.97Å; F552-F626 HydrophobicContact CZ-CE2 3.97Å; L554-F626 HydrophobicContact CD1-CD1 4.14Å; L554-F626 HydrophobicContact CD1-CE1 3.66Å; L554-F626 HydrophobicContact CD1-CZ 3.91Å; L554-F626 HydrophobicContact CD2-CE1 4.01Å; L554-F626 HydrophobicContact CD2-CZ 3.77Å; L554-F626 HydrophobicContact CG-CZ 4.45Å; I567-F626 HydrophobicContact CD1-CB 4.36Å; I567-F626 HydrophobicContact CD1-CD2 3.59Å; I567-F626 HydrophobicContact CD1-CE2 3.95Å; I567-F626 HydrophobicContact CD1-CG 3.92Å; W569-F626 HydrophobicContact CB-CD1 4.28Å; W569-F626 HydrophobicContact CB-CE1 4.11Å; T598-F626 PolarHBondContact O-N 2.95Å; G599-F626 WeakPolarHBondContact CA-O 3.26Å; Y624-F626 VanDerWaalsContact C-N 3.26Å; Y624-F626 WeakPolarHBondContact CB-O 3.48Å; Y624-F626 PolarHBondContact O-N 3.5Å; F626-R628 HydrophobicContact CE1-CB 3.88Å; F626-R628 HydrophobicContact CE2-CB 4.3Å; F626-R628 HydrophobicContact CZ-CB 3.72Å; F626-R628 HydrophobicContact CZ-CG 4.3Å |
| 627 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 101.5 | -173.3 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | H327 I602 G621 R659 | H327-S627 PolarHBondContact N-O 2.97Å; I602-S627 WeakPolarHBondContact CD1-OG 3.24Å; G621-S627 WeakPolarHBondContact O-CB 3.18Å; G621-S627 PolarHBondContact O-OG 2.97Å; S627-R659 VanDerWaalsContact CB-CZ 3.49Å |
| 628 | R | 98.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.8 | -177.9 | -176.3 | -177.5 | 72.4 | 172.6 | 3.8 | 111.1 | H327 F357 L554 W569 D601 I602 F626 H630 | H327-R628 HydrophobicContact CB-CB 4.21Å; H327-R628 HydrophobicContact CB-CG 4.18Å; H327-R628 WeakPolarHBondContact O-CA 3.49Å; F357-R628 HydrophobicContact CD2-CG 4.44Å; F357-R628 HydrophobicContact CE2-CG 4.4Å; L554-R628 VanDerWaalsContact CD2-NH1 3.28Å; W569-R628 VanDerWaalsContact CD1-NH2 3.34Å; D601-R628 VanDerWaalsContact CG-NH2 3.35Å; D601-R628 IonicContact OD1-CZ 3.13Å; D601-R628 VanDerWaalsContact OD1-CZ 3.23Å; D601-R628 IonicContact OD1-NE 3.9Å; D601-R628 PolarHBondContact OD1-NE 2.76Å; D601-R628 IonicContact OD1-NH2 3.5Å; D601-R628 PolarHBondContact OD1-NH2 3.49Å; D601-R628 IonicContact OD2-NH2 3.7Å; D601-R628 PolarHBondContact OD2-NH2 2.72Å; I602-R628 WeakPolarHBondContact CB-O 3.11Å; I602-R628 VanDerWaalsContact CG1-O 3.27Å; I602-R628 WeakPolarHBondContact CG1-O 3Å; I602-R628 PolarHBondContact N-O 3.12Å; F626-R628 HydrophobicContact CE1-CB 3.88Å; F626-R628 HydrophobicContact CE2-CB 4.3Å; F626-R628 HydrophobicContact CZ-CB 3.72Å; F626-R628 HydrophobicContact CZ-CG 4.3Å; R628-H630 HydrophobicContact CG-CB 4.39Å; R628-H630 PolarHBondContact NH2-CD2 3.36Å |
| 629 | N | 98.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.9 | 161.5 | 169.9 | -105.1 | 0 | 0 | 0 | 109.1 | F326 H327 L328 S329 I602 Q639 D640 | F326-N629 HydrophobicContact CE2-CB 4.18Å; F326-N629 HydrophobicContact CZ-CB 3.76Å; H327-N629 PolarHBondContact O-N 3.11Å; L328-N629 HydrophobicContact CD2-CB 4.21Å; S329-N629 WeakPolarHBondContact CA-O 3.35Å; S329-N629 WeakPolarHBondContact CB-O 3.33Å; S329-N629 PolarHBondContact N-O 3.43Å; S329-N629 VanDerWaalsContact O-O 3.1Å; I602-N629 HydrophobicContact CB-CB 4.38Å; I602-N629 PolarHBondContact O-ND2 2.89Å; N629-Q639 PolarHBondContact ND2-O 3.25Å; N629-D640 VanDerWaalsContact OD1-CA 3.29Å; N629-D640 WeakPolarHBondContact OD1-CA 3.23Å |
| 630 | H | 97.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | trans | -155.4 | 141.6 | -179.4 | -172.8 | 43.3 | 0 | 0 | 0 | 109.4 | S329 R330 F331 D359 W472 D601 F605 R628 | S329-H630 VanDerWaalsContact CB-ND1 3.3Å; S329-H630 WeakPolarHBondContact CB-ND1 3.28Å; S329-H630 WeakPolarHBondContact O-CA 3.45Å; S329-H630 PolarHBondContact OG-CE1 3Å; S329-H630 PolarHBondContact OG-ND1 2.71Å; R330-H630 VanDerWaalsContact CA-ND1 3.34Å; R330-H630 WeakPolarHBondContact CA-ND1 3.31Å; R330-H630 PolarHBondContact N-ND1 3.03Å; F331-H630 PolarHBondContact N-CE1 3.29Å; F331-H630 VanDerWaalsContact N-CE1 3.29Å; D359-H630 IonicContact OD2-CE1 3.62Å; D359-H630 PolarHBondContact OD2-CE1 2.91Å; D359-H630 IonicContact OD2-NE2 2.76Å; D359-H630 PolarHBondContact OD2-NE2 3.45Å; W472-H630 AromaticContact CH2-NE2 3.64Å; D601-H630 HydrophobicContact CB-CB 4.05Å; D601-H630 WeakPolarHBondContact OD1-CB 3.27Å; D601-H630 IonicContact OD2-CD2 3.14Å; D601-H630 PolarHBondContact OD2-CD2 2.89Å; D601-H630 IonicContact OD2-CG 3.37Å; F605-H630 AromaticContact CD2-CD2 3.61Å; F605-H630 AromaticContact CD2-NE2 3.76Å; F605-H630 AromaticContact CE2-CD2 3.91Å; F605-H630 AromaticContact CE2-NE2 3.54Å; R628-H630 HydrophobicContact CG-CB 4.39Å; R628-H630 PolarHBondContact NH2-CD2 3.36Å | ||
| 631 | N | 95.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | trans | -150.2 | 159 | 177.3 | 69.2 | -70.4 | 0 | 0 | 0 | 111.6 | R330 F331 Q639 | R330-N631 VanDerWaalsContact CZ-ND2 3.33Å; R330-N631 PolarHBondContact NH1-ND2 3.31Å; R330-N631 PolarHBondContact NH2-ND2 3.01Å; F331-N631 PolarHBondContact N-O 2.99Å; N631-Q639 HydrophobicContact CB-CG 4.35Å | ||
| 632 | S | 94.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -71.2 | 163.9 | -176.9 | 163.1 | 0 | 0 | 0 | 0 | 113.9 | R330 F331 F605 D634 V635 | R330-S632 PolarHBondContact NH2-O 2.81Å; F331-S632 CarbonylContact O-C 3.6Å; F331-S632 VanDerWaalsContact O-C 3.3Å; F605-S632 WeakPolarHBondContact O-CB 3.21Å; F605-S632 PolarHBondContact O-N 3.06Å; S632-D634 VanDerWaalsContact C-N 3.34Å; S632-D634 WeakPolarHBondContact CB-OD1 3.18Å; S632-D634 PolarHBondContact OG-N 2.64Å; S632-D634 PolarHBondContact OG-OD1 3.42Å; S632-V635 WeakPolarHBondContact O-CG2 3.46Å | ||
| 633 | D | 91.5 | Very high | 94 | Very high | 76 Ų | 76 | 27.5 Ų | 27.5 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.8 | 176 | 76.8 | -25.1 | 0 | 0 | 0 | 113.6 | F331 V635 | F331-D633 HydrophobicContact CD1-CB 3.84Å; F331-D633 WeakPolarHBondContact CD1-OD1 3.35Å; F331-D633 HydrophobicContact CD2-CB 4.37Å; F331-D633 HydrophobicContact CE1-CB 3.96Å; F331-D633 WeakPolarHBondContact CE1-OD1 3.32Å; F331-D633 HydrophobicContact CE2-CB 4.46Å; F331-D633 HydrophobicContact CG-CB 4.04Å; F331-D633 HydrophobicContact CZ-CB 4.26Å; F331-D633 WeakPolarHBondContact CZ-OD2 3.36Å; F331-D633 VanDerWaalsContact O-CA 3.32Å; F331-D633 WeakPolarHBondContact O-CA 3.08Å; F331-D633 WeakPolarHBondContact O-CB 3.41Å; F331-D633 PolarHBondContact O-N 3.42Å; F331-D633 VanDerWaalsContact O-N 3.17Å; D633-V635 VanDerWaalsContact C-N 3.28Å; D633-V635 PolarHBondContact O-N 2.86Å |
| 634 | D | 82.7 | Confident | 93.9 | Very high | 100 Ų | 100 | 28.3 Ų | 28.3 | 54% | 0.535 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -11.4 | 179.2 | 75.6 | -28.4 | 0 | 0 | 0 | 114.2 | S632 | S632-D634 VanDerWaalsContact C-N 3.34Å; S632-D634 WeakPolarHBondContact CB-OD1 3.18Å; S632-D634 PolarHBondContact OG-N 2.64Å; S632-D634 PolarHBondContact OG-OD1 3.42Å |
| 635 | V | 79.9 | Confident | 93.9 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | trans | -107.2 | 116.4 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | R330 T608 S632 D633 R637 | R330-V635 PolarHBondContact NH2-O 2.91Å; T608-V635 VanDerWaalsContact OG1-CG1 3.23Å; T608-V635 WeakPolarHBondContact OG1-CG1 3.46Å; S632-V635 WeakPolarHBondContact O-CG2 3.46Å; D633-V635 VanDerWaalsContact C-N 3.28Å; D633-V635 PolarHBondContact O-N 2.86Å; V635-R637 PolarHBondContact O-N 3.17Å; V635-R637 VanDerWaalsContact O-N 3.1Å | ||
| 636 | D | 75.8 | Confident | 93.9 | Very high | 156 Ų | 156 | 34.7 Ų | 34.7 | 83% | 0.834 | 19% | 0.192 | S | C | * | . | trans | -66.3 | -11.8 | 177.4 | -80.7 | -39.1 | 0 | 0 | 0 | 113.6 | ||||
| 637 | R | 87 | Confident | 93.9 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -84.1 | 134.9 | 179.5 | -168.4 | -175.2 | -178.2 | 160.2 | 17.1 | 111 | R330 T608 A609 V635 W644 | R330-R637 PolarHBondContact NH1-O 3.47Å; T608-R637 HydrophobicContact CG2-CB 4.18Å; A609-R637 PolarHBondContact O-NH1 2.58Å; V635-R637 PolarHBondContact O-N 3.17Å; V635-R637 VanDerWaalsContact O-N 3.1Å; R637-W644 VanDerWaalsContact CZ-CH2 3.49Å |
| 638 | D | 93.1 | Very high | 93.8 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -76.2 | 134.8 | 167.3 | -78.4 | -28.8 | 0 | 0 | 0 | 111.1 | R330 R345 S643 | R330-D638 IonicContact CZ-OD1 2.75Å; R330-D638 IonicContact NH1-OD1 2.75Å; R330-D638 PolarHBondContact NH1-OD1 2.76Å; R345-D638 IonicContact CZ-OD2 2.75Å; R345-D638 IonicContact NH1-OD2 3.2Å; R345-D638 PolarHBondContact NH1-OD2 3.14Å; R345-D638 IonicContact NH2-OD1 2.84Å; R345-D638 IonicContact NH2-OD2 2.6Å; R345-D638 PolarHBondContact NH2-OD2 3.36Å; D638-S643 VanDerWaalsContact C-OG 3.29Å; D638-S643 WeakPolarHBondContact O-CB 3.28Å; D638-S643 PolarHBondContact O-OG 3.18Å | ||
| 639 | Q | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -118.3 | 2.4 | -178.6 | -51.3 | -161.8 | 152.7 | 0 | 0 | 113.9 | G604 N629 N631 W644 | G604-Q639 PolarHBondContact O-NE2 3.32Å; N629-Q639 PolarHBondContact ND2-O 3.25Å; N631-Q639 HydrophobicContact CB-CG 4.35Å; Q639-W644 HydrophobicContact CB-CZ2 4.07Å; Q639-W644 HydrophobicContact CG-CZ2 4.31Å; Q639-W644 PolarHBondContact O-NE1 3.17Å | ||
| 640 | D | 97.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -62.6 | 155.6 | 173.3 | 62 | -77.1 | 0 | 0 | 0 | 111.3 | L328 V342 R345 N346 N629 A642 S643 W644 | L328-D640 HydrophobicContact CD2-CB 4.27Å; V342-D640 HydrophobicContact CG1-CB 4.16Å; R345-D640 IonicContact CZ-OD1 3.8Å; R345-D640 VanDerWaalsContact CZ-OD1 3.25Å; R345-D640 IonicContact CZ-OD2 2.68Å; R345-D640 IonicContact NE-OD1 2.82Å; R345-D640 PolarHBondContact NE-OD1 2.78Å; R345-D640 IonicContact NE-OD2 3.85Å; R345-D640 PolarHBondContact NE-OD2 2.86Å; R345-D640 IonicContact NH2-OD1 3.2Å; R345-D640 PolarHBondContact NH2-OD1 2.85Å; R345-D640 IonicContact NH2-OD2 2.82Å; N346-D640 PolarHBondContact ND2-OD2 3.19Å; N629-D640 VanDerWaalsContact OD1-CA 3.29Å; N629-D640 WeakPolarHBondContact OD1-CA 3.23Å; D640-A642 PolarHBondContact O-N 3.08Å; D640-S643 WeakPolarHBondContact O-CB 3.44Å; D640-S643 PolarHBondContact O-N 3.31Å; D640-S643 PolarHBondContact O-OG 2.97Å; D640-W644 VanDerWaalsContact O-CD1 3.31Å; D640-W644 PolarHBondContact O-NE1 3.15Å |
| 641 | P | 98.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -51 | -35 | -173.2 | -32.9 | 38.8 | 0 | 0 | 0 | 115.5 | F326 L328 N346 I351 V649 I652 | F326-P641 HydrophobicContact CE1-CG 3.84Å; F326-P641 HydrophobicContact CZ-CG 3.75Å; L328-P641 HydrophobicContact CD2-CG 4.5Å; N346-P641 WeakPolarHBondContact OD1-CD 3.39Å; I351-P641 HydrophobicContact CD1-CB 3.7Å; I351-P641 HydrophobicContact CG1-CB 3.91Å; I351-P641 HydrophobicContact CG2-CB 4.09Å; I351-P641 HydrophobicContact CG2-CG 4.12Å; P641-V649 WeakPolarHBondContact O-CG2 3.29Å; P641-I652 HydrophobicContact CB-CB 4.36Å; P641-I652 HydrophobicContact CB-CD1 4.26Å; P641-I652 HydrophobicContact CB-CG2 3.7Å; P641-I652 HydrophobicContact CG-CG2 3.94Å |
| 642 | A | 98.2 | Very high | 94 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -85.3 | 4.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R345 N346 A349 D640 | R345-A642 HydrophobicContact CB-CB 4.27Å; R345-A642 HydrophobicContact CG-CB 3.91Å; N346-A642 HydrophobicContact CB-CB 4.35Å; N346-A642 WeakPolarHBondContact OD1-CB 3.42Å; N346-A642 PolarHBondContact OD1-N 3.41Å; N346-A642 VanDerWaalsContact OD1-N 3.12Å; A349-A642 HydrophobicContact CB-CB 4.02Å; D640-A642 PolarHBondContact O-N 3.08Å |
| 643 | S | 96.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -88.1 | -10.1 | 176.2 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | D638 D640 | D638-S643 VanDerWaalsContact C-OG 3.29Å; D638-S643 WeakPolarHBondContact O-CB 3.28Å; D638-S643 PolarHBondContact O-OG 3.18Å; D640-S643 WeakPolarHBondContact O-CB 3.44Å; D640-S643 PolarHBondContact O-N 3.31Å; D640-S643 PolarHBondContact O-OG 2.97Å |
| 644 | W | 97.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -95 | -178.7 | -172.9 | -56.1 | 99.4 | 0 | 0 | 0 | 113.4 | A609 E611 C614 R637 Q639 D640 T648 V649 | A609-W644 HydrophobicContact CB-CH2 4.37Å; E611-W644 HydrophobicContact CB-CE3 3.57Å; E611-W644 HydrophobicContact CB-CZ3 3.61Å; E611-W644 HydrophobicContact CG-CD2 4.45Å; E611-W644 HydrophobicContact CG-CE3 3.67Å; E611-W644 HydrophobicContact CG-CZ3 4.23Å; C614-W644 HydrophobicContact CB-CH2 3.84Å; C614-W644 HydrophobicContact CB-CZ2 3.5Å; C614-W644 HydrophobicContact CB-CZ3 4.49Å; C614-W644 WeakPolarHBondContact SG-CZ2 3.22Å; C614-W644 PolarHBondContact SG-NE1 3.11Å; R637-W644 VanDerWaalsContact CZ-CH2 3.49Å; Q639-W644 HydrophobicContact CB-CZ2 4.07Å; Q639-W644 HydrophobicContact CG-CZ2 4.31Å; Q639-W644 PolarHBondContact O-NE1 3.17Å; D640-W644 VanDerWaalsContact O-CD1 3.31Å; D640-W644 PolarHBondContact O-NE1 3.15Å; W644-T648 HydrophobicContact CB-CG2 3.52Å; W644-T648 HydrophobicContact CG-CG2 3.93Å; W644-V649 WeakPolarHBondContact O-CG2 3.36Å |
| 645 | S | 98 | Very high | 95.2 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | trans | -60.7 | 154.1 | 176.8 | 70.1 | 0 | 0 | 0 | 0 | 112 | E611 E647 T648 V649 | E611-S645 WeakPolarHBondContact OE1-CB 3.33Å; E611-S645 PolarHBondContact OE1-N 3.46Å; E611-S645 VanDerWaalsContact OE1-N 3.12Å; E611-S645 PolarHBondContact OE1-OG 3.44Å; S645-E647 PolarHBondContact O-N 2.8Å; S645-E647 VanDerWaalsContact O-N 3.13Å; S645-T648 PolarHBondContact O-N 3.36Å; S645-T648 PolarHBondContact OG-N 2.88Å; S645-T648 PolarHBondContact OG-OG1 2.9Å; S645-V649 VanDerWaalsContact O-CG2 3.26Å; S645-V649 WeakPolarHBondContact O-CG2 3.39Å; S645-V649 PolarHBondContact O-N 3.41Å | ||
| 646 | P | 98.2 | Very high | 96.1 | Very high | 100 Ų | 100 | 45 Ų | 45 | 65% | 0.649 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -52.2 | -36.7 | 178.6 | -28.3 | 36.4 | 0 | 0 | 0 | 114.1 | A650 | P646-A650 VanDerWaalsContact O-CB 3.3Å; P646-A650 WeakPolarHBondContact O-CB 3.32Å; P646-A650 PolarHBondContact O-N 2.96Å |
| 647 | E | 98.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 39.2 Ų | 39.2 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 177.3 | -63.8 | 76.6 | -171.4 | 0 | 0 | 111.7 | S645 A650 S651 Y752 | S645-E647 PolarHBondContact O-N 2.8Å; S645-E647 VanDerWaalsContact O-N 3.13Å; E647-A650 PolarHBondContact O-N 2.74Å; E647-S651 PolarHBondContact O-N 2.78Å; E647-Y752 HydrophobicContact CB-CE1 4.03Å |
| 648 | T | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.9 | -66 | 0 | 0 | 0 | 0 | 110.9 | E611 L615 W644 S645 A650 S651 I652 | E611-T648 HydrophobicContact CG-CG2 4.22Å; E611-T648 WeakPolarHBondContact OE1-CB 3.45Å; E611-T648 PolarHBondContact OE1-OG1 3.2Å; L615-T648 HydrophobicContact CB-CG2 4.15Å; L615-T648 HydrophobicContact CD1-CG2 4.25Å; W644-T648 HydrophobicContact CB-CG2 3.52Å; W644-T648 HydrophobicContact CG-CG2 3.93Å; S645-T648 PolarHBondContact O-N 3.36Å; S645-T648 PolarHBondContact OG-N 2.88Å; S645-T648 PolarHBondContact OG-OG1 2.9Å; T648-A650 VanDerWaalsContact C-N 3.3Å; T648-A650 PolarHBondContact O-N 2.57Å; T648-S651 WeakPolarHBondContact O-CB 3.14Å; T648-S651 PolarHBondContact O-N 3.2Å; T648-S651 VanDerWaalsContact O-N 3.07Å; T648-I652 HydrophobicContact CG2-CD1 3.76Å; T648-I652 HydrophobicContact CG2-CG1 4.24Å; T648-I652 WeakPolarHBondContact O-CG1 3.41Å; T648-I652 PolarHBondContact O-N 2.76Å |
| 649 | V | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.3 | -47.7 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | A349 I351 P641 W644 S645 S651 I652 R653 | A349-V649 HydrophobicContact CB-CG1 3.82Å; I351-V649 HydrophobicContact CD1-CG1 4.41Å; P641-V649 WeakPolarHBondContact O-CG2 3.29Å; W644-V649 WeakPolarHBondContact O-CG2 3.36Å; S645-V649 VanDerWaalsContact O-CG2 3.26Å; S645-V649 WeakPolarHBondContact O-CG2 3.39Å; S645-V649 PolarHBondContact O-N 3.41Å; V649-S651 VanDerWaalsContact C-N 3.32Å; V649-S651 PolarHBondContact O-N 2.79Å; V649-I652 PolarHBondContact O-N 3.08Å; V649-R653 WeakPolarHBondContact O-CB 3.28Å; V649-R653 PolarHBondContact O-N 3.05Å |
| 650 | A | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P646 E647 T648 K654 | P646-A650 VanDerWaalsContact O-CB 3.3Å; P646-A650 WeakPolarHBondContact O-CB 3.32Å; P646-A650 PolarHBondContact O-N 2.96Å; E647-A650 PolarHBondContact O-N 2.74Å; T648-A650 VanDerWaalsContact C-N 3.3Å; T648-A650 PolarHBondContact O-N 2.57Å; A650-K654 WeakPolarHBondContact O-CB 3.47Å; A650-K654 PolarHBondContact O-N 3.37Å |
| 651 | S | 97.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | L615 E647 T648 V649 R653 K654 V655 Y752 | L615-S651 WeakPolarHBondContact CD1-OG 3.24Å; E647-S651 PolarHBondContact O-N 2.78Å; T648-S651 WeakPolarHBondContact O-CB 3.14Å; T648-S651 PolarHBondContact O-N 3.2Å; T648-S651 VanDerWaalsContact O-N 3.07Å; V649-S651 VanDerWaalsContact C-N 3.32Å; V649-S651 PolarHBondContact O-N 2.79Å; S651-R653 VanDerWaalsContact C-N 3.34Å; S651-K654 WeakPolarHBondContact O-CB 3.33Å; S651-K654 PolarHBondContact O-N 3.12Å; S651-V655 PolarHBondContact O-N 2.94Å; S651-Y752 WeakPolarHBondContact OG-CA 3.34Å |
| 652 | I | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.2 | -62.3 | 172.3 | 0 | 0 | 0 | 109.5 | P641 T648 V649 K654 V655 L656 | P641-I652 HydrophobicContact CB-CB 4.36Å; P641-I652 HydrophobicContact CB-CD1 4.26Å; P641-I652 HydrophobicContact CB-CG2 3.7Å; P641-I652 HydrophobicContact CG-CG2 3.94Å; T648-I652 HydrophobicContact CG2-CD1 3.76Å; T648-I652 HydrophobicContact CG2-CG1 4.24Å; T648-I652 WeakPolarHBondContact O-CG1 3.41Å; T648-I652 PolarHBondContact O-N 2.76Å; V649-I652 PolarHBondContact O-N 3.08Å; I652-K654 VanDerWaalsContact C-N 3.32Å; I652-K654 PolarHBondContact O-N 3.34Å; I652-V655 WeakPolarHBondContact O-CG1 3.47Å; I652-V655 PolarHBondContact O-N 3.01Å; I652-L656 HydrophobicContact CG2-CD1 3.83Å; I652-L656 HydrophobicContact CG2-CG 4.23Å; I652-L656 WeakPolarHBondContact O-CB 3.46Å; I652-L656 WeakPolarHBondContact O-CG 3.46Å; I652-L656 PolarHBondContact O-N 3.21Å |
| 653 | R | 98.6 | Very high | 98.1 | Very high | 102 Ų | 102 | 34 Ų | 34 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 173.1 | -174.6 | 175.3 | 62 | -167.5 | 0.3 | 111.9 | A349 G350 I351 V649 S651 V655 L656 M657 | A349-R653 WeakPolarHBondContact O-CD 3.31Å; A349-R653 PolarHBondContact O-NH1 2.79Å; G350-R653 VanDerWaalsContact O-CD 3.23Å; G350-R653 WeakPolarHBondContact O-CD 3.36Å; G350-R653 WeakPolarHBondContact O-CG 3.08Å; I351-R653 HydrophobicContact CD1-CB 3.86Å; V649-R653 WeakPolarHBondContact O-CB 3.28Å; V649-R653 PolarHBondContact O-N 3.05Å; S651-R653 VanDerWaalsContact C-N 3.34Å; R653-V655 PolarHBondContact O-N 2.94Å; R653-L656 PolarHBondContact O-N 3.37Å; R653-M657 HydrophobicContact CG-CG 4.33Å; R653-M657 WeakPolarHBondContact O-CB 3.1Å; R653-M657 WeakPolarHBondContact O-CG 3.41Å; R653-M657 PolarHBondContact O-N 3.43Å |
| 654 | K | 97.5 | Very high | 98.1 | Very high | 131 Ų | 131 | 32.1 Ų | 32.1 | 57% | 0.57 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -60.4 | -46.3 | -178.7 | 179.8 | -174.7 | 172.9 | -169.5 | 0 | 111.8 | A650 S651 I652 M657 L658 | A650-K654 WeakPolarHBondContact O-CB 3.47Å; A650-K654 PolarHBondContact O-N 3.37Å; S651-K654 WeakPolarHBondContact O-CB 3.33Å; S651-K654 PolarHBondContact O-N 3.12Å; I652-K654 VanDerWaalsContact C-N 3.32Å; I652-K654 PolarHBondContact O-N 3.34Å; K654-M657 PolarHBondContact O-N 2.97Å; K654-L658 PolarHBondContact O-N 3.03Å |
| 655 | V | 97.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.4 | -34.9 | -178.2 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | A622 F623 S651 I652 R653 L658 R659 I754 | A622-V655 HydrophobicContact CB-CB 4.45Å; A622-V655 HydrophobicContact CB-CG1 4.06Å; A622-V655 HydrophobicContact CB-CG2 3.81Å; F623-V655 HydrophobicContact CE2-CG2 3.69Å; F623-V655 HydrophobicContact CZ-CG2 4.25Å; S651-V655 PolarHBondContact O-N 2.94Å; I652-V655 WeakPolarHBondContact O-CG1 3.47Å; I652-V655 PolarHBondContact O-N 3.01Å; R653-V655 PolarHBondContact O-N 2.94Å; V655-L658 WeakPolarHBondContact O-CB 3.11Å; V655-L658 PolarHBondContact O-N 3.26Å; V655-R659 PolarHBondContact O-N 3.2Å; V655-I754 HydrophobicContact CG2-CG2 4Å |
| 656 | L | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 171.4 | -67.1 | 176.8 | 0 | 0 | 0 | 111.6 | F326 I351 P352 A622 I652 R653 L658 R659 Y660 | F326-L656 HydrophobicContact CB-CD1 4.42Å; F326-L656 HydrophobicContact CB-CD2 4.07Å; F326-L656 HydrophobicContact CD1-CD1 3.88Å; F326-L656 HydrophobicContact CD2-CD1 4.17Å; F326-L656 HydrophobicContact CD2-CD2 3.7Å; F326-L656 HydrophobicContact CE1-CD1 4.12Å; F326-L656 HydrophobicContact CE2-CD1 4.4Å; F326-L656 HydrophobicContact CE2-CD2 4.33Å; F326-L656 HydrophobicContact CG-CD1 3.89Å; F326-L656 HydrophobicContact CG-CD2 3.92Å; F326-L656 HydrophobicContact CZ-CD1 4.38Å; I351-L656 HydrophobicContact CG2-CD1 3.9Å; P352-L656 HydrophobicContact CG-CB 3.53Å; P352-L656 HydrophobicContact CG-CD1 4.33Å; A622-L656 HydrophobicContact CB-CD2 4.02Å; I652-L656 HydrophobicContact CG2-CD1 3.83Å; I652-L656 HydrophobicContact CG2-CG 4.23Å; I652-L656 WeakPolarHBondContact O-CB 3.46Å; I652-L656 WeakPolarHBondContact O-CG 3.46Å; I652-L656 PolarHBondContact O-N 3.21Å; R653-L656 PolarHBondContact O-N 3.37Å; L656-L658 PolarHBondContact O-N 3.17Å; L656-R659 VanDerWaalsContact O-CB 3.29Å; L656-R659 WeakPolarHBondContact O-CB 3.26Å; L656-R659 PolarHBondContact O-N 2.85Å; L656-R659 VanDerWaalsContact O-N 3.12Å; L656-Y660 WeakPolarHBondContact O-CD2 3.37Å; L656-Y660 PolarHBondContact O-N 2.78Å |
| 657 | M | 98.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 17% | 0.172 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -35 | 172.2 | -74.4 | -67.2 | 171.7 | 0 | 0 | 112.1 | P352 R653 K654 Y660 S661 P769 N771 | P352-M657 HydrophobicContact CB-CE 4.01Å; P352-M657 HydrophobicContact CG-CE 4.14Å; P352-M657 HydrophobicContact CG-SD 4.49Å; R653-M657 HydrophobicContact CG-CG 4.33Å; R653-M657 WeakPolarHBondContact O-CB 3.1Å; R653-M657 WeakPolarHBondContact O-CG 3.41Å; R653-M657 PolarHBondContact O-N 3.43Å; K654-M657 PolarHBondContact O-N 2.97Å; M657-Y660 PolarHBondContact O-N 3.49Å; M657-S661 PolarHBondContact O-N 2.73Å; M657-S661 PolarHBondContact O-OG 2.71Å; M657-P769 HydrophobicContact CB-CB 4.29Å; M657-P769 HydrophobicContact CB-CG 4.08Å; M657-P769 WeakPolarHBondContact O-CB 3.12Å; M657-P769 WeakPolarHBondContact O-CG 3.2Å; M657-P769 HydrophobicContact SD-CB 3.75Å; M657-P769 HydrophobicContact SD-CG 3.98Å; M657-N771 WeakPolarHBondContact CE-OD1 3.23Å |
| 658 | L | 97.4 | Very high | 98.3 | Very high | 49 Ų | 49 | 20.2 Ų | 20.2 | 26% | 0.257 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 171.6 | 179.3 | 56.6 | 0 | 0 | 0 | 112 | F623 K654 V655 L656 Y660 S661 L662 L732 M756 | F623-L658 HydrophobicContact CZ-CD2 4.07Å; F623-L658 HydrophobicContact CZ-CG 4.19Å; K654-L658 PolarHBondContact O-N 3.03Å; V655-L658 WeakPolarHBondContact O-CB 3.11Å; V655-L658 PolarHBondContact O-N 3.26Å; L656-L658 PolarHBondContact O-N 3.17Å; L658-Y660 VanDerWaalsContact C-N 3.31Å; L658-Y660 PolarHBondContact O-N 2.91Å; L658-S661 WeakPolarHBondContact O-CB 3.37Å; L658-S661 PolarHBondContact O-N 3.15Å; L658-S661 VanDerWaalsContact O-N 3.08Å; L658-L662 HydrophobicContact CD1-CD1 4.04Å; L658-L662 HydrophobicContact CD1-CG 4.43Å; L658-L662 HydrophobicContact CG-CD1 4.28Å; L658-L662 PolarHBondContact O-N 3.33Å; L658-L732 HydrophobicContact CD1-CD2 3.97Å; L658-L732 HydrophobicContact CD2-CD2 3.86Å; L658-L732 HydrophobicContact CG-CD2 4.46Å; L658-M756 HydrophobicContact CD2-CE 4.19Å; L658-M756 HydrophobicContact CD2-SD 3.45Å; L658-M756 WeakPolarHBondContact CD2-SD 3.29Å; L658-M756 HydrophobicContact CG-SD 4.37Å |
| 659 | R | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51 | -51.6 | 170.5 | 175.4 | -169.8 | -176.9 | 79.7 | -4.9 | 110.9 | L324 A622 Y624 P625 S627 V655 L656 S661 L662 L663 | L324-R659 PolarHBondContact O-NE 3.4Å; L324-R659 PolarHBondContact O-NH2 2.92Å; A622-R659 HydrophobicContact CB-CB 4.48Å; A622-R659 WeakPolarHBondContact O-CB 3.37Å; A622-R659 VanDerWaalsContact O-CD 3.22Å; A622-R659 WeakPolarHBondContact O-CD 3.15Å; A622-R659 VanDerWaalsContact O-CG 3.25Å; A622-R659 WeakPolarHBondContact O-CG 3.49Å; A622-R659 PolarHBondContact O-NH1 3.41Å; Y624-R659 PolarHBondContact O-NH1 2.99Å; Y624-R659 PolarHBondContact O-NH2 3.38Å; Y624-R659 VanDerWaalsContact O-NH2 3.15Å; P625-R659 PolarHBondContact O-NH2 3.11Å; S627-R659 VanDerWaalsContact CB-CZ 3.49Å; V655-R659 PolarHBondContact O-N 3.2Å; L656-R659 VanDerWaalsContact O-CB 3.29Å; L656-R659 WeakPolarHBondContact O-CB 3.26Å; L656-R659 PolarHBondContact O-N 2.85Å; L656-R659 VanDerWaalsContact O-N 3.12Å; R659-S661 PolarHBondContact O-N 3.09Å; R659-L662 CarbonylContact O-C 3.41Å; R659-L662 PolarHBondContact O-N 3.04Å; R659-L663 HydrophobicContact CG-CD2 3.94Å; R659-L663 WeakPolarHBondContact O-CG 3.46Å; R659-L663 PolarHBondContact O-N 3.3Å; R659-L663 VanDerWaalsContact O-N 3.08Å |
| 660 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -23.1 | -177.8 | -81.5 | -120.2 | 0 | 0 | 0 | 113.3 | F326 P352 Q353 D354 L656 M657 L658 L663 A770 T773 | F326-Y660 HydrophobicContact CB-CE2 4.07Å; F326-Y660 PolarHBondContact N-OH 2.99Å; P352-Y660 HydrophobicContact CB-CD1 4.19Å; P352-Y660 HydrophobicContact CB-CD2 4.2Å; P352-Y660 HydrophobicContact CB-CE1 3.79Å; P352-Y660 HydrophobicContact CB-CE2 3.78Å; P352-Y660 HydrophobicContact CB-CG 4.35Å; P352-Y660 HydrophobicContact CG-CD2 4.1Å; P352-Y660 HydrophobicContact CG-CE2 3.77Å; P352-Y660 PolarHBondContact O-OH 3.42Å; Q353-Y660 WeakPolarHBondContact CA-OH 3.49Å; Q353-Y660 PolarHBondContact N-OH 2.95Å; D354-Y660 WeakPolarHBondContact OD2-CE1 3.45Å; D354-Y660 PolarHBondContact OD2-OH 2.79Å; L656-Y660 WeakPolarHBondContact O-CD2 3.37Å; L656-Y660 PolarHBondContact O-N 2.78Å; M657-Y660 PolarHBondContact O-N 3.49Å; L658-Y660 VanDerWaalsContact C-N 3.31Å; L658-Y660 PolarHBondContact O-N 2.91Å; Y660-L663 HydrophobicContact CD1-CD1 4.34Å; Y660-L663 HydrophobicContact CG-CD1 4.24Å; Y660-A770 WeakPolarHBondContact CD1-O 2.98Å; Y660-T773 HydrophobicContact CE1-CG2 4.29Å |
| 661 | S | 98.2 | Very high | 98.3 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 11% | 0.112 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.4 | -30.2 | 173.7 | -52 | 0 | 0 | 0 | 0 | 111.7 | M657 L658 R659 W766 Q767 P769 | M657-S661 PolarHBondContact O-N 2.73Å; M657-S661 PolarHBondContact O-OG 2.71Å; L658-S661 WeakPolarHBondContact O-CB 3.37Å; L658-S661 PolarHBondContact O-N 3.15Å; L658-S661 VanDerWaalsContact O-N 3.08Å; R659-S661 PolarHBondContact O-N 3.09Å; S661-W766 CarbonylContact O-C 3.53Å; S661-W766 WeakPolarHBondContact O-CA 3.33Å; S661-W766 VanDerWaalsContact O-CB 3.3Å; S661-W766 WeakPolarHBondContact O-CB 3.2Å; S661-Q767 VanDerWaalsContact CA-O 3.24Å; S661-Q767 WeakPolarHBondContact CA-O 3.31Å; S661-Q767 WeakPolarHBondContact CB-O 3.07Å; S661-Q767 PolarHBondContact O-N 3.32Å; S661-P769 VanDerWaalsContact OG-CD 3.28Å; S661-P769 WeakPolarHBondContact OG-CD 3.49Å; S661-P769 VanDerWaalsContact OG-CG 3.31Å; S661-P769 WeakPolarHBondContact OG-CG 3.46Å |
| 662 | L | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -101.4 | 0.8 | -174.5 | -64.9 | 170.2 | 0 | 0 | 0 | 113.6 | F623 L658 R659 P664 H665 L666 W703 L707 M756 F758 V764 W766 | F623-L662 HydrophobicContact CE1-CD1 4.18Å; L658-L662 HydrophobicContact CD1-CD1 4.04Å; L658-L662 HydrophobicContact CD1-CG 4.43Å; L658-L662 HydrophobicContact CG-CD1 4.28Å; L658-L662 PolarHBondContact O-N 3.33Å; R659-L662 CarbonylContact O-C 3.41Å; R659-L662 PolarHBondContact O-N 3.04Å; L662-P664 VanDerWaalsContact C-N 3.31Å; L662-H665 WeakPolarHBondContact O-CA 3.41Å; L662-H665 VanDerWaalsContact O-CB 3.3Å; L662-H665 WeakPolarHBondContact O-CB 3.07Å; L662-H665 PolarHBondContact O-N 3.02Å; L662-L666 PolarHBondContact O-N 3.3Å; L662-L666 VanDerWaalsContact O-N 3.12Å; L662-W703 HydrophobicContact CB-CZ3 4.15Å; L662-L707 HydrophobicContact CD1-CD2 3.83Å; L662-M756 HydrophobicContact CD1-CE 3.76Å; L662-F758 HydrophobicContact CD2-CZ 4.26Å; L662-V764 HydrophobicContact CD2-CG1 4.35Å; L662-W766 HydrophobicContact CD2-CB 4.45Å |
| 663 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58 | -33 | 177 | -66.4 | -175.1 | 0 | 0 | 0 | 114.5 | Y321 L324 R659 Y660 H665 L666 Y667 T773 | Y321-L663 HydrophobicContact CE1-CB 4.29Å; Y321-L663 HydrophobicContact CE1-CD1 4.35Å; Y321-L663 VanDerWaalsContact OH-CB 3.3Å; Y321-L663 WeakPolarHBondContact OH-CB 3.41Å; L324-L663 HydrophobicContact CB-CD1 4.41Å; L324-L663 HydrophobicContact CB-CD2 3.92Å; L324-L663 HydrophobicContact CD2-CD2 4.5Å; L324-L663 WeakPolarHBondContact O-CD2 3.41Å; R659-L663 HydrophobicContact CG-CD2 3.94Å; R659-L663 WeakPolarHBondContact O-CG 3.46Å; R659-L663 PolarHBondContact O-N 3.3Å; R659-L663 VanDerWaalsContact O-N 3.08Å; Y660-L663 HydrophobicContact CD1-CD1 4.34Å; Y660-L663 HydrophobicContact CG-CD1 4.24Å; L663-H665 PolarHBondContact O-N 3.48Å; L663-L666 HydrophobicContact CD2-CD2 4.11Å; L663-L666 PolarHBondContact O-N 3.09Å; L663-Y667 WeakPolarHBondContact O-CB 3.49Å; L663-Y667 PolarHBondContact O-N 3.38Å; L663-T773 HydrophobicContact CD1-CG2 3.65Å |
| 664 | P | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.2 | -36.9 | 171.1 | -26.5 | 36 | 0 | 0 | 0 | 113.6 | L662 T668 P765 Q767 L781 L797 W799 | L662-P664 VanDerWaalsContact C-N 3.31Å; P664-T668 WeakPolarHBondContact O-CB 3.42Å; P664-T668 PolarHBondContact O-N 3.2Å; P664-T668 VanDerWaalsContact O-N 3.14Å; P664-T668 PolarHBondContact O-OG1 2.71Å; P664-P765 HydrophobicContact CB-CB 4.17Å; P664-P765 HydrophobicContact CB-CG 4.38Å; P664-Q767 HydrophobicContact CG-CB 4.31Å; P664-Q767 HydrophobicContact CG-CG 3.86Å; P664-Q767 VanDerWaalsContact CG-OE1 3.3Å; P664-L781 HydrophobicContact CB-CD2 4.14Å; P664-L781 HydrophobicContact CG-CD2 3.75Å; P664-L797 HydrophobicContact CB-CD1 4.3Å; P664-W799 HydrophobicContact CB-CE3 4.5Å; P664-W799 HydrophobicContact CB-CZ3 3.8Å; P664-W799 HydrophobicContact CG-CH2 4.21Å; P664-W799 HydrophobicContact CG-CZ3 3.88Å |
| 665 | H | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.028 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.3 | -54.7 | 174.5 | -174.7 | 55.6 | 0 | 0 | 0 | 111.3 | L662 L663 Y667 T668 L669 W703 E706 V764 P765 | L662-H665 WeakPolarHBondContact O-CA 3.41Å; L662-H665 VanDerWaalsContact O-CB 3.3Å; L662-H665 WeakPolarHBondContact O-CB 3.07Å; L662-H665 PolarHBondContact O-N 3.02Å; L663-H665 PolarHBondContact O-N 3.48Å; H665-Y667 PolarHBondContact O-N 2.89Å; H665-T668 WeakPolarHBondContact O-CA 3.41Å; H665-T668 WeakPolarHBondContact O-CB 3.5Å; H665-T668 PolarHBondContact O-N 3.01Å; H665-L669 WeakPolarHBondContact O-CG 3.14Å; H665-L669 PolarHBondContact O-N 2.95Å; H665-W703 PolarHBondContact NE2-O 2.81Å; H665-E706 IonicContact CE1-OE2 3.17Å; H665-E706 PolarHBondContact CE1-OE2 2.82Å; H665-E706 IonicContact NE2-OE2 2.81Å; H665-E706 PolarHBondContact NE2-OE2 3.03Å; H665-V764 HydrophobicContact CB-CG1 3.84Å; H665-P765 HydrophobicContact CB-CG 4.45Å |
| 666 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.6 | -41.7 | 179.4 | 179.3 | 61.4 | 0 | 0 | 0 | 111.9 | L324 L662 L663 T668 L669 L670 V680 W703 | L324-L666 HydrophobicContact CB-CD2 4.43Å; L324-L666 HydrophobicContact CD2-CB 4.36Å; L324-L666 HydrophobicContact CD2-CD2 4.15Å; L324-L666 HydrophobicContact CD2-CG 4.09Å; L324-L666 HydrophobicContact CG-CD2 4.16Å; L662-L666 PolarHBondContact O-N 3.3Å; L662-L666 VanDerWaalsContact O-N 3.12Å; L663-L666 HydrophobicContact CD2-CD2 4.11Å; L663-L666 PolarHBondContact O-N 3.09Å; L666-T668 VanDerWaalsContact C-N 3.34Å; L666-T668 PolarHBondContact O-N 2.93Å; L666-L669 WeakPolarHBondContact O-CB 3.32Å; L666-L669 PolarHBondContact O-N 3.13Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CG-CD1 4.1Å; L666-L670 WeakPolarHBondContact O-CG 3.35Å; L666-L670 PolarHBondContact O-N 3.47Å; L666-V680 HydrophobicContact CD1-CG1 3.65Å; L666-W703 HydrophobicContact CB-CE3 4.2Å; L666-W703 HydrophobicContact CB-CH2 4.05Å; L666-W703 HydrophobicContact CB-CZ3 3.74Å; L666-W703 HydrophobicContact CD1-CD2 4.44Å; L666-W703 HydrophobicContact CD1-CE3 4.5Å; L666-W703 HydrophobicContact CD1-CH2 4.33Å; L666-W703 HydrophobicContact CD1-CZ2 4.23Å; L666-W703 HydrophobicContact CD1-CZ3 4.47Å; L666-W703 HydrophobicContact CD2-CH2 3.69Å; L666-W703 HydrophobicContact CD2-CZ2 4.01Å; L666-W703 HydrophobicContact CD2-CZ3 4.27Å; L666-W703 HydrophobicContact CG-CH2 4.24Å; L666-W703 HydrophobicContact CG-CZ3 4.37Å |
| 667 | Y | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 178.1 | -169.7 | -125.5 | 0 | 0 | 0 | 112.6 | L318 Y321 L324 R550 L663 H665 L669 L670 F671 Y798 W799 D800 | L318-Y667 HydrophobicContact CD1-CD2 4.29Å; L318-Y667 HydrophobicContact CD1-CE2 3.84Å; L318-Y667 HydrophobicContact CD2-CE2 4.42Å; L318-Y667 HydrophobicContact CG-CE2 4.21Å; Y321-Y667 AromaticContact CD2-CD1 3.6Å; Y321-Y667 HydrophobicContact CD2-CD1 3.6Å; Y321-Y667 AromaticContact CD2-CD2 3.68Å; Y321-Y667 HydrophobicContact CD2-CD2 3.68Å; Y321-Y667 AromaticContact CD2-CE1 3.76Å; Y321-Y667 HydrophobicContact CD2-CE1 3.76Å; Y321-Y667 AromaticContact CD2-CE2 3.87Å; Y321-Y667 HydrophobicContact CD2-CE2 3.87Å; Y321-Y667 AromaticContact CD2-CG 3.54Å; Y321-Y667 HydrophobicContact CD2-CG 3.54Å; Y321-Y667 AromaticContact CD2-CZ 3.88Å; Y321-Y667 AromaticContact CE2-CD1 3.61Å; Y321-Y667 HydrophobicContact CE2-CD1 3.61Å; Y321-Y667 HydrophobicContact CE2-CD2 4.15Å; Y321-Y667 HydrophobicContact CE2-CE1 4.19Å; Y321-Y667 AromaticContact CE2-CG 3.56Å; Y321-Y667 HydrophobicContact CE2-CG 3.56Å; L324-Y667 HydrophobicContact CD1-CD2 4.32Å; L324-Y667 HydrophobicContact CD2-CD2 3.87Å; L324-Y667 HydrophobicContact CD2-CG 4.23Å; R550-Y667 PolarHBondContact NH1-OH 2.85Å; L663-Y667 WeakPolarHBondContact O-CB 3.49Å; L663-Y667 PolarHBondContact O-N 3.38Å; H665-Y667 PolarHBondContact O-N 2.89Å; Y667-L669 VanDerWaalsContact C-N 3.35Å; Y667-L670 PolarHBondContact O-N 3.19Å; Y667-F671 PolarHBondContact O-N 3Å; Y667-Y798 AromaticContact CD1-CD1 3.84Å; Y667-Y798 HydrophobicContact CD1-CD1 3.84Å; Y667-Y798 HydrophobicContact CD1-CE1 4.21Å; Y667-Y798 AromaticContact CE1-CD1 3.56Å; Y667-Y798 HydrophobicContact CE1-CD1 3.56Å; Y667-Y798 AromaticContact CE1-CE1 3.45Å; Y667-Y798 HydrophobicContact CE1-CE1 3.45Å; Y667-Y798 VanDerWaalsContact CE1-CE1 3.45Å; Y667-Y798 AromaticContact CZ-CE1 3.72Å; Y667-W799 HydrophobicContact CD1-CE3 4.41Å; Y667-D800 WeakPolarHBondContact CE1-OD1 3.45Å; Y667-D800 PolarHBondContact OH-OD1 2.84Å; Y667-D800 PolarHBondContact OH-OD2 3.26Å |
| 668 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | P664 H665 L666 F671 W672 N796 Y798 | P664-T668 WeakPolarHBondContact O-CB 3.42Å; P664-T668 PolarHBondContact O-N 3.2Å; P664-T668 VanDerWaalsContact O-N 3.14Å; P664-T668 PolarHBondContact O-OG1 2.71Å; H665-T668 WeakPolarHBondContact O-CA 3.41Å; H665-T668 WeakPolarHBondContact O-CB 3.5Å; H665-T668 PolarHBondContact O-N 3.01Å; L666-T668 VanDerWaalsContact C-N 3.34Å; L666-T668 PolarHBondContact O-N 2.93Å; T668-F671 WeakPolarHBondContact O-CB 3.4Å; T668-F671 PolarHBondContact O-N 3.25Å; T668-W672 PolarHBondContact O-N 3.48Å; T668-W672 VanDerWaalsContact O-N 3.13Å; T668-N796 WeakPolarHBondContact CG2-OD1 3.48Å; T668-Y798 PolarHBondContact OG1-N 3.34Å |
| 669 | L | 98.7 | Very high | 97.9 | Very high | 19 Ų | 19 | 18.1 Ų | 18.1 | 10% | 0.099 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.6 | -62 | 175.8 | 0 | 0 | 0 | 112 | H665 L666 Y667 F671 W672 A673 V680 W703 G704 | H665-L669 WeakPolarHBondContact O-CG 3.14Å; H665-L669 PolarHBondContact O-N 2.95Å; L666-L669 WeakPolarHBondContact O-CB 3.32Å; L666-L669 PolarHBondContact O-N 3.13Å; Y667-L669 VanDerWaalsContact C-N 3.35Å; L669-F671 VanDerWaalsContact C-N 3.33Å; L669-F671 PolarHBondContact O-N 2.87Å; L669-W672 PolarHBondContact O-N 3.35Å; L669-A673 PolarHBondContact O-N 2.87Å; L669-V680 HydrophobicContact CB-CB 4.44Å; L669-V680 HydrophobicContact CB-CG1 3.81Å; L669-V680 HydrophobicContact CB-CG2 4.23Å; L669-V680 HydrophobicContact CD1-CG1 4.1Å; L669-W703 HydrophobicContact CD1-CB 4.22Å; L669-G704 VanDerWaalsContact CD1-N 3.31Å |
| 670 | L | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 176.7 | -74.1 | 163.9 | 0 | 0 | 0 | 112.2 | L318 P319 L324 P596 M597 L666 Y667 A673 Y674 V680 | L318-L670 HydrophobicContact CD1-CB 3.96Å; P319-L670 HydrophobicContact CG-CD1 4.08Å; L324-L670 HydrophobicContact CD1-CD1 3.9Å; L324-L670 HydrophobicContact CD2-CD1 3.93Å; L324-L670 HydrophobicContact CG-CD1 3.85Å; P596-L670 HydrophobicContact CB-CD2 4.43Å; P596-L670 HydrophobicContact CG-CD2 4.2Å; M597-L670 HydrophobicContact CG-CD1 4.39Å; M597-L670 HydrophobicContact CG-CD2 3.7Å; M597-L670 HydrophobicContact SD-CD1 3.68Å; M597-L670 HydrophobicContact SD-CD2 3.9Å; M597-L670 HydrophobicContact SD-CG 4.45Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CG-CD1 4.1Å; L666-L670 WeakPolarHBondContact O-CG 3.35Å; L666-L670 PolarHBondContact O-N 3.47Å; Y667-L670 PolarHBondContact O-N 3.19Å; L670-A673 PolarHBondContact O-N 3.08Å; L670-Y674 WeakPolarHBondContact O-CB 3.27Å; L670-Y674 PolarHBondContact O-N 3.11Å; L670-V680 HydrophobicContact CD2-CG2 4Å; L670-V680 HydrophobicContact CG-CG2 4.35Å |
| 671 | F | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 170.7 | 165.3 | -101.5 | 0 | 0 | 0 | 111.5 | Y667 T668 L669 A673 Y674 I675 Y798 V808 L815 | Y667-F671 PolarHBondContact O-N 3Å; T668-F671 WeakPolarHBondContact O-CB 3.4Å; T668-F671 PolarHBondContact O-N 3.25Å; L669-F671 VanDerWaalsContact C-N 3.33Å; L669-F671 PolarHBondContact O-N 2.87Å; F671-A673 VanDerWaalsContact C-N 3.34Å; F671-A673 PolarHBondContact O-N 3.13Å; F671-Y674 WeakPolarHBondContact O-CB 3.32Å; F671-Y674 PolarHBondContact O-N 2.78Å; F671-I675 HydrophobicContact CD2-CD1 4.49Å; F671-I675 HydrophobicContact CD2-CG1 3.94Å; F671-I675 HydrophobicContact CE1-CG1 4.24Å; F671-I675 HydrophobicContact CE2-CD1 3.86Å; F671-I675 HydrophobicContact CE2-CG1 3.49Å; F671-I675 VanDerWaalsContact CE2-CG1 3.49Å; F671-I675 HydrophobicContact CZ-CD1 4.3Å; F671-I675 HydrophobicContact CZ-CG1 3.67Å; F671-I675 WeakPolarHBondContact O-CG1 3.38Å; F671-I675 PolarHBondContact O-N 3.19Å; F671-Y798 HydrophobicContact CB-CD1 3.58Å; F671-Y798 HydrophobicContact CB-CD2 4.17Å; F671-Y798 HydrophobicContact CB-CE1 4.14Å; F671-Y798 HydrophobicContact CB-CG 3.6Å; F671-Y798 AromaticContact CD1-CD2 3.79Å; F671-Y798 HydrophobicContact CD1-CD2 3.79Å; F671-Y798 AromaticContact CD1-CG 3.79Å; F671-Y798 HydrophobicContact CD1-CG 3.79Å; F671-Y798 HydrophobicContact CD2-CD1 4.02Å; F671-Y798 AromaticContact CD2-CD2 3.29Å; F671-Y798 HydrophobicContact CD2-CD2 3.29Å; F671-Y798 HydrophobicContact CD2-CE1 4.04Å; F671-Y798 AromaticContact CD2-CE2 3.28Å; F671-Y798 HydrophobicContact CD2-CE2 3.28Å; F671-Y798 AromaticContact CD2-CG 3.66Å; F671-Y798 HydrophobicContact CD2-CG 3.66Å; F671-Y798 AromaticContact CD2-CZ 3.69Å; F671-Y798 AromaticContact CE1-CD2 3.93Å; F671-Y798 HydrophobicContact CE1-CD2 3.93Å; F671-Y798 HydrophobicContact CE1-CG 4.37Å; F671-Y798 AromaticContact CE2-CD2 3.44Å; F671-Y798 HydrophobicContact CE2-CD2 3.44Å; F671-Y798 VanDerWaalsContact CE2-CD2 3.44Å; F671-Y798 AromaticContact CE2-CE2 3.37Å; F671-Y798 HydrophobicContact CE2-CE2 3.37Å; F671-Y798 HydrophobicContact CE2-CG 4.26Å; F671-Y798 AromaticContact CG-CD1 3.83Å; F671-Y798 HydrophobicContact CG-CD1 3.83Å; F671-Y798 AromaticContact CG-CD2 3.45Å; F671-Y798 HydrophobicContact CG-CD2 3.45Å; F671-Y798 VanDerWaalsContact CG-CD2 3.45Å; F671-Y798 HydrophobicContact CG-CE1 4.3Å; F671-Y798 AromaticContact CG-CE2 3.94Å; F671-Y798 HydrophobicContact CG-CE2 3.94Å; F671-Y798 AromaticContact CG-CG 3.38Å; F671-Y798 HydrophobicContact CG-CG 3.38Å; F671-Y798 AromaticContact CZ-CD2 3.76Å; F671-Y798 HydrophobicContact CZ-CD2 3.76Å; F671-Y798 HydrophobicContact CZ-CE2 4.1Å; F671-V808 HydrophobicContact CD2-CG2 4.3Å; F671-V808 HydrophobicContact CE2-CG1 4.27Å; F671-V808 HydrophobicContact CE2-CG2 4.1Å; F671-L815 HydrophobicContact CE1-CD1 4.12Å; F671-L815 HydrophobicContact CE1-CD2 4.39Å |
| 672 | W | 97.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 18.6 Ų | 18.6 | 20% | 0.197 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 176.1 | -70.4 | 118.7 | 0 | 0 | 0 | 112.4 | T668 L669 Y674 I675 R676 N796 L815 | T668-W672 PolarHBondContact O-N 3.48Å; T668-W672 VanDerWaalsContact O-N 3.13Å; L669-W672 PolarHBondContact O-N 3.35Å; W672-Y674 VanDerWaalsContact C-N 3.29Å; W672-Y674 PolarHBondContact O-N 2.95Å; W672-I675 PolarHBondContact O-N 3.11Å; W672-R676 WeakPolarHBondContact O-CG 3.45Å; W672-R676 PolarHBondContact O-N 3.17Å; W672-N796 PolarHBondContact NE1-OD1 2.88Å; W672-L815 HydrophobicContact CH2-CD2 4.37Å; W672-L815 HydrophobicContact CZ2-CD1 4.22Å |
| 673 | A | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 3% | 0.025 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P316 P596 L669 L670 F671 G677 V680 | P316-A673 WeakPolarHBondContact CD-O 3.36Å; P316-A673 HydrophobicContact CG-CB 3.91Å; P596-A673 HydrophobicContact CG-CB 4.2Å; L669-A673 PolarHBondContact O-N 2.87Å; L670-A673 PolarHBondContact O-N 3.08Å; F671-A673 VanDerWaalsContact C-N 3.34Å; F671-A673 PolarHBondContact O-N 3.13Å; A673-G677 WeakPolarHBondContact CA-O 3.44Å; A673-G677 WeakPolarHBondContact O-CA 3.49Å; A673-G677 PolarHBondContact O-N 3.27Å; A673-V680 HydrophobicContact CB-CG2 3.75Å |
| 674 | Y | 97.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 18.4 Ų | 18.4 | 26% | 0.255 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.3 | 169.4 | -103.8 | 0 | 0 | 0 | 113 | H315 P316 L318 L670 F671 W672 V808 | H315-Y674 WeakPolarHBondContact CB-O 3.37Å; H315-Y674 PolarHBondContact ND1-O 3.13Å; H315-Y674 VanDerWaalsContact ND1-O 3.12Å; P316-Y674 WeakPolarHBondContact O-CA 3.32Å; P316-Y674 WeakPolarHBondContact O-CD2 3.42Å; L318-Y674 HydrophobicContact CB-CD1 4.41Å; L318-Y674 HydrophobicContact CB-CD2 4.06Å; L318-Y674 HydrophobicContact CB-CG 3.94Å; L670-Y674 WeakPolarHBondContact O-CB 3.27Å; L670-Y674 PolarHBondContact O-N 3.11Å; F671-Y674 WeakPolarHBondContact O-CB 3.32Å; F671-Y674 PolarHBondContact O-N 2.78Å; W672-Y674 VanDerWaalsContact C-N 3.29Å; W672-Y674 PolarHBondContact O-N 2.95Å; Y674-V808 HydrophobicContact CD1-CG2 4.48Å; Y674-V808 HydrophobicContact CE1-CB 4.15Å; Y674-V808 HydrophobicContact CE1-CG1 4.28Å; Y674-V808 HydrophobicContact CE1-CG2 3.99Å |
| 675 | I | 97.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 18.4 Ų | 18.4 | 36% | 0.359 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -81.3 | -40 | -175.9 | -62.2 | -61.6 | 0 | 0 | 0 | 113.5 | H315 F671 W672 V808 | H315-I675 PolarHBondContact CE1-O 3.06Å; H315-I675 PolarHBondContact ND1-O 3.45Å; H315-I675 VanDerWaalsContact ND1-O 3.15Å; F671-I675 HydrophobicContact CD2-CD1 4.49Å; F671-I675 HydrophobicContact CD2-CG1 3.94Å; F671-I675 HydrophobicContact CE1-CG1 4.24Å; F671-I675 HydrophobicContact CE2-CD1 3.86Å; F671-I675 HydrophobicContact CE2-CG1 3.49Å; F671-I675 VanDerWaalsContact CE2-CG1 3.49Å; F671-I675 HydrophobicContact CZ-CD1 4.3Å; F671-I675 HydrophobicContact CZ-CG1 3.67Å; F671-I675 WeakPolarHBondContact O-CG1 3.38Å; F671-I675 PolarHBondContact O-N 3.19Å; W672-I675 PolarHBondContact O-N 3.11Å; I675-V808 HydrophobicContact CD1-CG1 3.83Å |
| 676 | R | 96 | Very high | 97.8 | Very high | 122 Ų | 122 | 18.6 Ų | 18.6 | 46% | 0.46 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -129.2 | 3 | -170.3 | 61 | 166 | -170 | -157 | 3.8 | 114.6 | W672 | W672-R676 WeakPolarHBondContact O-CG 3.45Å; W672-R676 PolarHBondContact O-N 3.17Å |
| 677 | G | 97.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | trans | 68.4 | -156 | -169 | 0 | 0 | 0 | 0 | 0 | 112.7 | A673 | A673-G677 WeakPolarHBondContact CA-O 3.44Å; A673-G677 WeakPolarHBondContact O-CA 3.49Å; A673-G677 PolarHBondContact O-N 3.27Å | ||
| 678 | G | 95.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | 80.9 | -176.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H310 | H310-G678 PolarHBondContact ND1-N 3.32Š| ||
| 679 | A | 97.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | trans | -99.2 | 139.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L306 Q591 V681 R682 F686 | L306-A679 HydrophobicContact CD1-CB 4.07Å; Q591-A679 HydrophobicContact CB-CB 3.78Å; A679-V681 WeakPolarHBondContact CB-O 3.23Å; A679-R682 HydrophobicContact CB-CG 4.12Å; A679-R682 PolarHBondContact O-NE 2.86Å; A679-R682 PolarHBondContact O-NH2 3.08Å; A679-R682 VanDerWaalsContact O-NH2 3.11Å; A679-F686 HydrophobicContact CB-CD2 4.09Å; A679-F686 HydrophobicContact CB-CE2 3.74Å | ||
| 680 | V | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -89.5 | -51.5 | 173.5 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | P596 L666 L669 L670 A673 G704 | P596-V680 HydrophobicContact CB-CB 3.96Å; P596-V680 HydrophobicContact CB-CG2 3.68Å; P596-V680 HydrophobicContact CG-CG2 4.29Å; L666-V680 HydrophobicContact CD1-CG1 3.65Å; L669-V680 HydrophobicContact CB-CB 4.44Å; L669-V680 HydrophobicContact CB-CG1 3.81Å; L669-V680 HydrophobicContact CB-CG2 4.23Å; L669-V680 HydrophobicContact CD1-CG1 4.1Å; L670-V680 HydrophobicContact CD2-CG2 4Å; L670-V680 HydrophobicContact CG-CG2 4.35Å; A673-V680 HydrophobicContact CB-CG2 3.75Å; V680-G704 PolarHBondContact O-N 2.96Å |
| 681 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.2 | 168.2 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | M587 L588 Q591 P625 A679 F701 L702 | M587-V681 HydrophobicContact CE-CG1 3.85Å; M587-V681 HydrophobicContact CG-CB 4.45Å; M587-V681 HydrophobicContact CG-CG1 4.32Å; M587-V681 HydrophobicContact CG-CG2 4.41Å; M587-V681 HydrophobicContact SD-CB 4.38Å; M587-V681 HydrophobicContact SD-CG1 4.01Å; M587-V681 HydrophobicContact SD-CG2 3.95Å; L588-V681 HydrophobicContact CD2-CG1 3.95Å; Q591-V681 HydrophobicContact CG-CB 3.94Å; Q591-V681 WeakPolarHBondContact CG-O 3.35Å; P625-V681 HydrophobicContact CG-CG2 3.43Å; P625-V681 VanDerWaalsContact CG-CG2 3.43Å; A679-V681 WeakPolarHBondContact CB-O 3.23Å; V681-F701 HydrophobicContact CG1-CB 3.9Å; V681-F701 HydrophobicContact CG1-CD2 3.5Å; V681-F701 HydrophobicContact CG1-CE2 4.26Å; V681-F701 HydrophobicContact CG1-CG 3.9Å; V681-L702 CarbonylContact C-O 3.58Å; V681-L702 WeakPolarHBondContact CA-O 3.48Å |
| 682 | R | 98.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138 | -172.1 | -50.8 | -175.6 | 174.1 | -151.4 | -24.4 | 111.8 | D303 A679 F686 E687 L702 G704 | D303-R682 IonicContact OD1-CZ 3.58Å; D303-R682 IonicContact OD1-NH1 3.42Å; D303-R682 IonicContact OD1-NH2 2.96Å; D303-R682 PolarHBondContact OD1-NH2 3.41Å; A679-R682 HydrophobicContact CB-CG 4.12Å; A679-R682 PolarHBondContact O-NE 2.86Å; A679-R682 PolarHBondContact O-NH2 3.08Å; A679-R682 VanDerWaalsContact O-NH2 3.11Å; R682-F686 HydrophobicContact CB-CB 4.2Å; R682-F686 HydrophobicContact CB-CD2 4.19Å; R682-F686 HydrophobicContact CB-CG 4.49Å; R682-F686 HydrophobicContact CG-CD2 4.32Å; R682-E687 IonicContact CZ-OE1 3.55Å; R682-E687 IonicContact NH1-OE1 3.27Å; R682-E687 PolarHBondContact NH1-OE1 3.08Å; R682-L702 HydrophobicContact CB-CB 4.19Å; R682-L702 PolarHBondContact N-O 3.27Å; R682-L702 PolarHBondContact O-N 2.75Å; R682-G704 WeakPolarHBondContact CD-O 3.43Å |
| 683 | P | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | trans | -68.7 | 155.9 | 161.2 | 34.1 | -35.6 | 0 | 0 | 0 | 108.5 | F219 L588 F685 F686 | F219-P683 HydrophobicContact CD1-CB 4.12Å; F219-P683 HydrophobicContact CE1-CB 3.74Å; F219-P683 HydrophobicContact CE1-CG 3.69Å; F219-P683 HydrophobicContact CZ-CG 4.24Å; L588-P683 HydrophobicContact CD1-CB 4.43Å; L588-P683 HydrophobicContact CD2-CB 4.26Å; P683-F685 VanDerWaalsContact C-N 3.3Å; P683-F685 HydrophobicContact CB-CD1 3.92Å; P683-F685 HydrophobicContact CB-CE1 3.8Å; P683-F685 HydrophobicContact CG-CD1 4Å; P683-F685 HydrophobicContact CG-CE1 3.62Å; P683-F685 HydrophobicContact CG-CZ 4.07Å; P683-F685 PolarHBondContact O-N 3.24Å; P683-F686 HydrophobicContact CG-CD1 3.38Å; P683-F686 HydrophobicContact CG-CD2 4.3Å; P683-F686 HydrophobicContact CG-CE1 3.46Å; P683-F686 VanDerWaalsContact CG-CE1 3.46Å; P683-F686 HydrophobicContact CG-CE2 4.35Å; P683-F686 HydrophobicContact CG-CG 3.83Å; P683-F686 HydrophobicContact CG-CZ 3.96Å; P683-F686 WeakPolarHBondContact O-CB 3.49Å; P683-F686 PolarHBondContact O-N 3.23Å; P683-F686 VanDerWaalsContact O-N 3.15Å | ||
| 684 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | -173.5 | -60.9 | -176.4 | 0 | 0 | 0 | 112.9 | F686 E687 Y688 A694 V697 Q700 L702 M708 Y723 P725 | L684-F686 PolarHBondContact O-N 3.4Å; L684-E687 PolarHBondContact O-N 3.06Å; L684-Y688 VanDerWaalsContact O-CD2 3.31Å; L684-Y688 WeakPolarHBondContact O-CD2 3.11Å; L684-Y688 PolarHBondContact O-N 3.3Å; L684-A694 HydrophobicContact CB-CB 3.9Å; L684-V697 HydrophobicContact CD1-CB 4.1Å; L684-V697 HydrophobicContact CD1-CG1 3.8Å; L684-V697 HydrophobicContact CD1-CG2 4.09Å; L684-V697 HydrophobicContact CG-CG1 4.22Å; L684-Q700 HydrophobicContact CD1-CG 4.39Å; L684-L702 HydrophobicContact CD2-CD1 4.24Å; L684-L702 HydrophobicContact CD2-CD2 3.82Å; L684-L702 HydrophobicContact CD2-CG 3.88Å; L684-M708 HydrophobicContact CD2-CG 4.43Å; L684-M708 HydrophobicContact CD2-SD 3.83Å; L684-Y723 HydrophobicContact CD1-CD1 3.94Å; L684-P725 HydrophobicContact CB-CG 4.34Å; L684-P725 HydrophobicContact CD1-CG 3.91Å; L684-P725 HydrophobicContact CD2-CG 4.48Å; L684-P725 HydrophobicContact CG-CG 4.49Å |
| 685 | F | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -11.2 | -176.8 | 76.6 | -93.9 | 0 | 0 | 0 | 114.2 | Y209 F219 L252 M254 P302 P683 E687 Y688 P689 A694 R695 | Y209-F685 AromaticContact CD1-CE1 3.99Å; Y209-F685 HydrophobicContact CD1-CE1 3.99Å; Y209-F685 HydrophobicContact CD1-CZ 4.06Å; Y209-F685 HydrophobicContact CD2-CE1 4.41Å; Y209-F685 HydrophobicContact CD2-CE2 4.45Å; Y209-F685 AromaticContact CD2-CZ 3.77Å; Y209-F685 HydrophobicContact CD2-CZ 3.77Å; Y209-F685 HydrophobicContact CE1-CD1 4.45Å; Y209-F685 AromaticContact CE1-CE1 3.57Å; Y209-F685 HydrophobicContact CE1-CE1 3.57Å; Y209-F685 AromaticContact CE1-CZ 3.93Å; Y209-F685 HydrophobicContact CE1-CZ 3.93Å; Y209-F685 HydrophobicContact CE2-CE1 4.07Å; Y209-F685 HydrophobicContact CE2-CE2 4.18Å; Y209-F685 AromaticContact CE2-CZ 3.66Å; Y209-F685 HydrophobicContact CE2-CZ 3.66Å; Y209-F685 HydrophobicContact CG-CE1 4.38Å; Y209-F685 AromaticContact CG-CZ 3.97Å; Y209-F685 HydrophobicContact CG-CZ 3.97Å; Y209-F685 AromaticContact CZ-CE1 3.63Å; Y209-F685 AromaticContact CZ-CZ 3.73Å; F219-F685 HydrophobicContact CD1-CE1 4.14Å; F219-F685 AromaticContact CE1-CE1 3.68Å; F219-F685 HydrophobicContact CE1-CE1 3.68Å; F219-F685 HydrophobicContact CE1-CZ 4.11Å; L252-F685 HydrophobicContact CD2-CE2 3.94Å; L252-F685 HydrophobicContact CD2-CZ 4.27Å; M254-F685 HydrophobicContact CG-CD2 4.22Å; M254-F685 HydrophobicContact CG-CE2 4.13Å; M254-F685 HydrophobicContact SD-CD2 3.73Å; M254-F685 HydrophobicContact SD-CE2 3.71Å; P302-F685 HydrophobicContact CB-CD2 4.47Å; P302-F685 HydrophobicContact CB-CE2 4.07Å; P302-F685 HydrophobicContact CG-CD2 4.23Å; P302-F685 HydrophobicContact CG-CE2 4.34Å; P683-F685 VanDerWaalsContact C-N 3.3Å; P683-F685 HydrophobicContact CB-CD1 3.92Å; P683-F685 HydrophobicContact CB-CE1 3.8Å; P683-F685 HydrophobicContact CG-CD1 4Å; P683-F685 HydrophobicContact CG-CE1 3.62Å; P683-F685 HydrophobicContact CG-CZ 4.07Å; P683-F685 PolarHBondContact O-N 3.24Å; F685-E687 VanDerWaalsContact C-N 3.29Å; F685-Y688 CarbonylContact O-C 3.6Å; F685-P689 WeakPolarHBondContact O-CA 3.39Å; F685-P689 WeakPolarHBondContact O-CB 3.42Å; F685-P689 WeakPolarHBondContact O-CD 3.33Å; F685-A694 HydrophobicContact CB-CB 4.33Å; F685-R695 HydrophobicContact CB-CG 4.01Å; F685-R695 HydrophobicContact CG-CG 4.41Å |
| 686 | F | 97.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.044 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 171.4 | -81.3 | 23.9 | 0 | 0 | 0 | 111.3 | L252 P302 L306 M592 A679 R682 P683 L684 | L252-F686 HydrophobicContact CD1-CE1 4.35Å; L252-F686 HydrophobicContact CD1-CZ 4.45Å; P302-F686 HydrophobicContact CB-CD1 3.78Å; P302-F686 HydrophobicContact CB-CE1 3.9Å; P302-F686 HydrophobicContact CB-CG 4.42Å; P302-F686 HydrophobicContact CG-CD1 4.05Å; P302-F686 HydrophobicContact CG-CG 4.49Å; L306-F686 HydrophobicContact CD1-CE2 3.45Å; L306-F686 VanDerWaalsContact CD1-CE2 3.45Å; L306-F686 HydrophobicContact CD1-CZ 3.71Å; L306-F686 HydrophobicContact CG-CE2 4.42Å; L306-F686 HydrophobicContact CG-CZ 4.42Å; M592-F686 HydrophobicContact CG-CZ 4.39Å; A679-F686 HydrophobicContact CB-CD2 4.09Å; A679-F686 HydrophobicContact CB-CE2 3.74Å; R682-F686 HydrophobicContact CB-CB 4.2Å; R682-F686 HydrophobicContact CB-CD2 4.19Å; R682-F686 HydrophobicContact CB-CG 4.49Å; R682-F686 HydrophobicContact CG-CD2 4.32Å; P683-F686 HydrophobicContact CG-CD1 3.38Å; P683-F686 HydrophobicContact CG-CD2 4.3Å; P683-F686 HydrophobicContact CG-CE1 3.46Å; P683-F686 VanDerWaalsContact CG-CE1 3.46Å; P683-F686 HydrophobicContact CG-CE2 4.35Å; P683-F686 HydrophobicContact CG-CG 3.83Å; P683-F686 HydrophobicContact CG-CZ 3.96Å; P683-F686 WeakPolarHBondContact O-CB 3.49Å; P683-F686 PolarHBondContact O-N 3.23Å; P683-F686 VanDerWaalsContact O-N 3.15Å; L684-F686 PolarHBondContact O-N 3.4Å |
| 687 | E | 96.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 27.2 Ų | 27.2 | 20% | 0.201 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -88.9 | -24.2 | 175.7 | -66.7 | -57.9 | 138.5 | 0 | 0 | 112.6 | R682 L684 F685 P689 L702 S705 R759 | R682-E687 IonicContact CZ-OE1 3.55Å; R682-E687 IonicContact NH1-OE1 3.27Å; R682-E687 PolarHBondContact NH1-OE1 3.08Å; L684-E687 PolarHBondContact O-N 3.06Å; F685-E687 VanDerWaalsContact C-N 3.29Å; E687-P689 VanDerWaalsContact C-CD 3.43Å; E687-L702 HydrophobicContact CB-CD1 4.12Å; E687-L702 HydrophobicContact CG-CD1 3.51Å; E687-S705 WeakPolarHBondContact OE1-CB 3.01Å; E687-S705 WeakPolarHBondContact OE2-CB 3.47Å; E687-R759 IonicContact OE2-NH1 3.78Å; E687-R759 PolarHBondContact OE2-NH1 2.88Å |
| 688 | Y | 96.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | trans | -127.7 | 61 | -176.2 | -53.6 | -83.4 | 0 | 0 | 0 | 111.5 | L684 F685 K690 D691 P725 W729 R759 | L684-Y688 VanDerWaalsContact O-CD2 3.31Å; L684-Y688 WeakPolarHBondContact O-CD2 3.11Å; L684-Y688 PolarHBondContact O-N 3.3Å; F685-Y688 CarbonylContact O-C 3.6Å; Y688-K690 PolarHBondContact O-N 2.93Å; Y688-K690 VanDerWaalsContact O-N 3.14Å; Y688-D691 WeakPolarHBondContact O-CB 3.35Å; Y688-D691 PolarHBondContact O-N 2.93Å; Y688-P725 HydrophobicContact CD1-CB 3.67Å; Y688-P725 HydrophobicContact CD2-CB 3.47Å; Y688-P725 VanDerWaalsContact CD2-CB 3.47Å; Y688-P725 HydrophobicContact CD2-CG 3.57Å; Y688-P725 HydrophobicContact CE1-CB 3.69Å; Y688-P725 HydrophobicContact CE2-CB 3.51Å; Y688-P725 HydrophobicContact CE2-CG 3.63Å; Y688-P725 HydrophobicContact CG-CB 3.56Å; Y688-P725 HydrophobicContact CG-CG 4.12Å; Y688-W729 HydrophobicContact CE2-CZ2 4.26Å; Y688-W729 VanDerWaalsContact OH-CZ2 3.28Å; Y688-W729 WeakPolarHBondContact OH-CZ2 3.1Å; Y688-R759 WeakPolarHBondContact OH-CD 3.49Å; Y688-R759 PolarHBondContact OH-NE 2.86Å; Y688-R759 PolarHBondContact OH-NH2 3.18Å | ||
| 689 | P | 97 | Very high | 97.2 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.4 | -170.4 | 26.6 | -36.5 | 0 | 0 | 0 | 114.3 | M254 G259 P302 F685 E687 R695 | M254-P689 HydrophobicContact CE-CB 3.85Å; G259-P689 WeakPolarHBondContact CA-O 3.5Å; P302-P689 HydrophobicContact CG-CB 4.3Å; F685-P689 WeakPolarHBondContact O-CA 3.39Å; F685-P689 WeakPolarHBondContact O-CB 3.42Å; F685-P689 WeakPolarHBondContact O-CD 3.33Å; E687-P689 VanDerWaalsContact C-CD 3.43Å; P689-R695 PolarHBondContact O-NE 3.37Å; P689-R695 PolarHBondContact O-NH2 3.01Å |
| 690 | K | 97.6 | Very high | 97.2 | Very high | 147 Ų | 147 | 28.8 Ų | 28.8 | 64% | 0.639 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -10.2 | 175.4 | -64.2 | -178.6 | -179.4 | -178.3 | 0 | 113.5 | N258 Y688 L692 | N258-K690 WeakPolarHBondContact O-CE 3.42Å; N258-K690 WeakPolarHBondContact O-CG 3.25Å; Y688-K690 PolarHBondContact O-N 2.93Å; Y688-K690 VanDerWaalsContact O-N 3.14Å; K690-L692 PolarHBondContact O-N 2.82Å |
| 691 | D | 97.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 16% | 0.16 | 14% | 0.142 | C | C | . | . | trans | -86.1 | 106.3 | 179.4 | -173 | -23.7 | 0 | 0 | 0 | 109.3 | Y688 L693 A694 Y723 | Y688-D691 WeakPolarHBondContact O-CB 3.35Å; Y688-D691 PolarHBondContact O-N 2.93Å; D691-L693 VanDerWaalsContact C-N 3.27Å; D691-L693 PolarHBondContact O-N 3.08Å; D691-L693 PolarHBondContact OD1-N 2.79Å; D691-A694 HydrophobicContact CB-CB 3.8Å; D691-A694 PolarHBondContact O-N 2.71Å; D691-A694 PolarHBondContact OD1-N 3.11Å; D691-Y723 VanDerWaalsContact CG-OH 3.32Å; D691-Y723 PolarHBondContact OD1-OH 3.48Å; D691-Y723 VanDerWaalsContact OD1-OH 3.07Å; D691-Y723 WeakPolarHBondContact OD2-CE1 3.37Å; D691-Y723 PolarHBondContact OD2-OH 3.5Å | ||
| 692 | L | 96.7 | Very high | 97.2 | Very high | 72 Ų | 72 | 28.7 Ų | 28.7 | 38% | 0.377 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.7 | -176.4 | -57 | -175.2 | 0 | 0 | 0 | 112.7 | D257 K690 R695 | D257-L692 HydrophobicContact CB-CD2 4.17Å; D257-L692 WeakPolarHBondContact OD1-CD2 3.31Å; K690-L692 PolarHBondContact O-N 2.82Å; L692-R695 WeakPolarHBondContact O-CB 3.48Å |
| 693 | L | 96.2 | Very high | 97.2 | Very high | 111 Ų | 111 | 27.5 Ų | 27.5 | 58% | 0.581 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -35.5 | 178.6 | -65 | 176.6 | 0 | 0 | 0 | 110.8 | D691 R695 D696 Y723 | D691-L693 VanDerWaalsContact C-N 3.27Å; D691-L693 PolarHBondContact O-N 3.08Å; D691-L693 PolarHBondContact OD1-N 2.79Å; L693-R695 PolarHBondContact O-N 2.82Å; L693-R695 VanDerWaalsContact O-N 3.16Å; L693-D696 PolarHBondContact O-N 2.84Å; L693-Y723 HydrophobicContact CB-CD2 4.36Å; L693-Y723 HydrophobicContact CB-CE1 4.23Å; L693-Y723 HydrophobicContact CB-CE2 3.69Å; L693-Y723 HydrophobicContact CD1-CE2 3.68Å; L693-Y723 HydrophobicContact CG-CE2 4.35Å |
| 694 | A | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -61.8 | -20 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L684 F685 D691 D696 Y723 | L684-A694 HydrophobicContact CB-CB 3.9Å; F685-A694 HydrophobicContact CB-CB 4.33Å; D691-A694 HydrophobicContact CB-CB 3.8Å; D691-A694 PolarHBondContact O-N 2.71Å; D691-A694 PolarHBondContact OD1-N 3.11Å; A694-D696 VanDerWaalsContact C-N 3.34Å; A694-Y723 HydrophobicContact CB-CE1 4.16Å |
| 695 | R | 96.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -71.2 | -25.1 | -179.5 | -70.6 | -179.8 | -172.6 | -176.2 | -0.4 | 114.2 | F207 Y209 D256 D257 F685 P689 L692 L693 | F207-R695 HydrophobicContact CD1-CB 3.92Å; F207-R695 HydrophobicContact CD1-CG 4.39Å; F207-R695 HydrophobicContact CE1-CB 3.82Å; F207-R695 HydrophobicContact CE1-CG 4.4Å; Y209-R695 WeakPolarHBondContact CE1-O 2.97Å; Y209-R695 WeakPolarHBondContact OH-CB 3.43Å; Y209-R695 PolarHBondContact OH-O 2.95Å; D256-R695 PolarHBondContact O-NH1 3.04Å; D256-R695 PolarHBondContact O-NH2 3.3Å; D257-R695 IonicContact OD1-NH1 3.6Å; F685-R695 HydrophobicContact CB-CG 4.01Å; F685-R695 HydrophobicContact CG-CG 4.41Å; P689-R695 PolarHBondContact O-NE 3.37Å; P689-R695 PolarHBondContact O-NH2 3.01Å; L692-R695 WeakPolarHBondContact O-CB 3.48Å; L693-R695 PolarHBondContact O-N 2.82Å; L693-R695 VanDerWaalsContact O-N 3.16Å |
| 696 | D | 96.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 30.4 Ų | 30.4 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -103.4 | 3.5 | -177 | -78.9 | -56.5 | 0 | 0 | 0 | 112.8 | R218 R220 L693 A694 | R218-D696 IonicContact CZ-OD1 3.89Å; R218-D696 IonicContact NH2-OD1 3.97Å; R218-D696 PolarHBondContact NH2-OD1 3.45Å; R218-D696 VanDerWaalsContact NH2-OD1 3.13Å; R220-D696 WeakPolarHBondContact CD-OD1 3.49Å; R220-D696 IonicContact CZ-OD1 3.03Å; R220-D696 IonicContact NH1-OD1 2.68Å; R220-D696 PolarHBondContact NH1-OD1 2.87Å; R220-D696 IonicContact NH1-OD2 3.67Å; R220-D696 PolarHBondContact NH1-OD2 2.86Å; L693-D696 PolarHBondContact O-N 2.84Å; A694-D696 VanDerWaalsContact C-N 3.34Å |
| 697 | V | 97.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | trans | -80.9 | 120.2 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | L684 Q700 Y723 | L684-V697 HydrophobicContact CD1-CB 4.1Å; L684-V697 HydrophobicContact CD1-CG1 3.8Å; L684-V697 HydrophobicContact CD1-CG2 4.09Å; L684-V697 HydrophobicContact CG-CG1 4.22Å; V697-Q700 HydrophobicContact CG1-CG 3.25Å; V697-Y723 HydrophobicContact CG2-CD1 4.25Å; V697-Y723 HydrophobicContact CG2-CG 4.26Å | ||
| 698 | D | 96 | Very high | 97.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | trans | -132.3 | 2.6 | -174.3 | 55.7 | 32.3 | 0 | 0 | 0 | 114.7 | R218 F219 R581 I584 V585 | R218-D698 VanDerWaalsContact CA-OD2 3.29Å; R218-D698 WeakPolarHBondContact CA-OD2 3.44Å; R218-D698 WeakPolarHBondContact CB-OD2 3.21Å; R218-D698 IonicContact NE-OD2 2.93Å; F219-D698 HydrophobicContact CB-CB 3.68Å; R581-D698 IonicContact CZ-OD1 3.11Å; R581-D698 IonicContact NH2-OD1 3.86Å; R581-D698 PolarHBondContact NH2-OD1 3.11Å; I584-D698 WeakPolarHBondContact CG2-O 3.48Å; V585-D698 HydrophobicContact CG2-CB 4.29Å | ||
| 699 | D | 96.6 | Very high | 97.4 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -120.7 | 12.3 | -174.6 | 62.1 | 9.3 | 0 | 0 | 0 | 113.1 | R720 | D699-R720 PolarHBondContact O-NH1 3.13Å; D699-R720 IonicContact OD1-CZ 3.17Å; D699-R720 IonicContact OD1-NH1 2.79Å; D699-R720 IonicContact OD1-NH2 2.73Å; D699-R720 PolarHBondContact OD1-NH2 3.42Å; D699-R720 IonicContact OD2-CZ 2.71Å; D699-R720 IonicContact OD2-NH2 2.82Å; D699-R720 PolarHBondContact OD2-NH2 2.86Å |
| 700 | Q | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | trans | -150.5 | 156.8 | 170.8 | 57.4 | 180 | 92.3 | 0 | 0 | 108.9 | L684 V697 M708 V709 V710 Y723 | L684-Q700 HydrophobicContact CD1-CG 4.39Å; V697-Q700 HydrophobicContact CG1-CG 3.25Å; Q700-M708 PolarHBondContact NE2-SD 3.25Å; Q700-V709 WeakPolarHBondContact CA-O 3.47Å; Q700-V709 WeakPolarHBondContact CB-O 3.37Å; Q700-V710 HydrophobicContact CB-CB 4.46Å; Q700-V710 HydrophobicContact CB-CG1 4.29Å; Q700-V710 HydrophobicContact CB-CG2 4.14Å; Q700-Y723 PolarHBondContact NE2-O 3.21Å | ||
| 701 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 168.8 | -172.9 | 57.4 | -89.3 | 0 | 0 | 0 | 111.5 | I584 M587 L588 L620 F623 V681 W703 M708 V709 | I584-F701 HydrophobicContact CG2-CD1 3.86Å; M587-F701 HydrophobicContact CE-CD1 3.82Å; M587-F701 HydrophobicContact CE-CD2 4.05Å; M587-F701 HydrophobicContact CE-CE1 3.73Å; M587-F701 HydrophobicContact CE-CE2 3.93Å; M587-F701 HydrophobicContact CE-CG 3.97Å; M587-F701 HydrophobicContact CE-CZ 3.76Å; L588-F701 HydrophobicContact CD2-CB 4.06Å; L620-F701 HydrophobicContact CD1-CE1 3.53Å; L620-F701 HydrophobicContact CD1-CZ 3.84Å; F623-F701 HydrophobicContact CB-CE2 4.13Å; F623-F701 HydrophobicContact CB-CZ 3.99Å; V681-F701 HydrophobicContact CG1-CB 3.9Å; V681-F701 HydrophobicContact CG1-CD2 3.5Å; V681-F701 HydrophobicContact CG1-CE2 4.26Å; V681-F701 HydrophobicContact CG1-CG 3.9Å; F701-W703 AromaticContact CE2-CD1 3.93Å; F701-M708 WeakPolarHBondContact O-CA 3.2Å; F701-V709 HydrophobicContact CD2-CB 4.11Å; F701-V709 HydrophobicContact CD2-CG2 4.32Å; F701-V709 HydrophobicContact CE1-CB 4.08Å; F701-V709 HydrophobicContact CE1-CG1 4.07Å; F701-V709 HydrophobicContact CE2-CB 3.64Å; F701-V709 HydrophobicContact CE2-CG1 4.14Å; F701-V709 HydrophobicContact CE2-CG2 3.74Å; F701-V709 HydrophobicContact CZ-CB 3.63Å; F701-V709 HydrophobicContact CZ-CG1 3.64Å; F701-V709 HydrophobicContact CZ-CG2 4.12Å; F701-V709 PolarHBondContact N-O 3.37Å; F701-V709 VanDerWaalsContact N-O 3.17Å; F701-V709 PolarHBondContact O-N 3.07Å |
| 702 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.8 | 174.4 | -52.4 | 171.5 | 0 | 0 | 0 | 110.8 | V681 R682 L684 E687 G704 L707 M708 W729 | V681-L702 CarbonylContact C-O 3.58Å; V681-L702 WeakPolarHBondContact CA-O 3.48Å; R682-L702 HydrophobicContact CB-CB 4.19Å; R682-L702 PolarHBondContact N-O 3.27Å; R682-L702 PolarHBondContact O-N 2.75Å; L684-L702 HydrophobicContact CD2-CD1 4.24Å; L684-L702 HydrophobicContact CD2-CD2 3.82Å; L684-L702 HydrophobicContact CD2-CG 3.88Å; E687-L702 HydrophobicContact CB-CD1 4.12Å; E687-L702 HydrophobicContact CG-CD1 3.51Å; L702-G704 WeakPolarHBondContact CB-O 3.46Å; L702-L707 CarbonylContact C-O 3.53Å; L702-L707 WeakPolarHBondContact CA-O 3.37Å; L702-M708 HydrophobicContact CD2-CB 3.56Å; L702-M708 HydrophobicContact CD2-CG 3.82Å; L702-M708 HydrophobicContact CD2-SD 4.34Å; L702-W729 HydrophobicContact CD2-CH2 4.05Å |
| 703 | W | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 107.9 | 154.5 | -88.6 | 21.5 | 0 | 0 | 0 | 108.3 | F623 L662 H665 L666 L669 F701 L707 | F623-W703 HydrophobicContact CB-CZ2 4.04Å; F623-W703 HydrophobicContact CD1-CD2 4.49Å; F623-W703 HydrophobicContact CD1-CH2 4.11Å; F623-W703 AromaticContact CD1-CZ2 3.99Å; F623-W703 HydrophobicContact CD1-CZ2 3.99Å; F623-W703 HydrophobicContact CD1-CZ3 4.42Å; F623-W703 WeakPolarHBondContact O-CZ2 3.49Å; F623-W703 PolarHBondContact O-NE1 3.02Å; L662-W703 HydrophobicContact CB-CZ3 4.15Å; H665-W703 PolarHBondContact NE2-O 2.81Å; L666-W703 HydrophobicContact CB-CE3 4.2Å; L666-W703 HydrophobicContact CB-CH2 4.05Å; L666-W703 HydrophobicContact CB-CZ3 3.74Å; L666-W703 HydrophobicContact CD1-CD2 4.44Å; L666-W703 HydrophobicContact CD1-CE3 4.5Å; L666-W703 HydrophobicContact CD1-CH2 4.33Å; L666-W703 HydrophobicContact CD1-CZ2 4.23Å; L666-W703 HydrophobicContact CD1-CZ3 4.47Å; L666-W703 HydrophobicContact CD2-CH2 3.69Å; L666-W703 HydrophobicContact CD2-CZ2 4.01Å; L666-W703 HydrophobicContact CD2-CZ3 4.27Å; L666-W703 HydrophobicContact CG-CH2 4.24Å; L666-W703 HydrophobicContact CG-CZ3 4.37Å; L669-W703 HydrophobicContact CD1-CB 4.22Å; F701-W703 AromaticContact CE2-CD1 3.93Å; W703-L707 HydrophobicContact CB-CB 4.24Å; W703-L707 HydrophobicContact CB-CD2 4.36Å; W703-L707 HydrophobicContact CE3-CD2 4.34Å; W703-L707 PolarHBondContact N-O 2.81Å; W703-L707 PolarHBondContact O-N 3.33Å |
| 704 | G | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -140.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L669 V680 R682 L702 E706 | L669-G704 VanDerWaalsContact CD1-N 3.31Å; V680-G704 PolarHBondContact O-N 2.96Å; R682-G704 WeakPolarHBondContact CD-O 3.43Å; L702-G704 WeakPolarHBondContact CB-O 3.46Å; G704-E706 WeakPolarHBondContact CA-OE2 3.43Å |
| 705 | S | 96.7 | Very high | 97.5 | Very high | 31 Ų | 31 | 15.8 Ų | 15.8 | 22% | 0.217 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9 | 174.6 | 76.8 | 0 | 0 | 0 | 0 | 113 | E687 R759 | E687-S705 WeakPolarHBondContact OE1-CB 3.01Å; E687-S705 WeakPolarHBondContact OE2-CB 3.47Å; S705-R759 WeakPolarHBondContact O-CD 3.49Å |
| 706 | E | 97.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -35.6 | -157.5 | -56.4 | 73.5 | -153.7 | 0 | 0 | 113 | H665 G704 F758 R759 V764 | H665-E706 IonicContact CE1-OE2 3.17Å; H665-E706 PolarHBondContact CE1-OE2 2.82Å; H665-E706 IonicContact NE2-OE2 2.81Å; H665-E706 PolarHBondContact NE2-OE2 3.03Å; G704-E706 WeakPolarHBondContact CA-OE2 3.43Å; E706-F758 CarbonylContact O-C 3.36Å; E706-F758 WeakPolarHBondContact O-CA 3.3Å; E706-R759 PolarHBondContact O-N 2.9Å; E706-V764 HydrophobicContact CB-CG2 3.72Å; E706-V764 HydrophobicContact CG-CG2 4.13Å |
| 707 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.8 | -168.9 | 173.1 | 61.5 | 0 | 0 | 0 | 111.1 | L662 L702 W703 M756 F758 | L662-L707 HydrophobicContact CD1-CD2 3.83Å; L702-L707 CarbonylContact C-O 3.53Å; L702-L707 WeakPolarHBondContact CA-O 3.37Å; W703-L707 HydrophobicContact CB-CB 4.24Å; W703-L707 HydrophobicContact CB-CD2 4.36Å; W703-L707 HydrophobicContact CE3-CD2 4.34Å; W703-L707 PolarHBondContact N-O 2.81Å; W703-L707 PolarHBondContact O-N 3.33Å; L707-M756 HydrophobicContact CD1-CB 4.35Å; L707-M756 HydrophobicContact CD1-CE 3.78Å; L707-M756 HydrophobicContact CD2-CE 3.63Å; L707-M756 HydrophobicContact CG-CE 4.13Å; L707-F758 HydrophobicContact CB-CD1 4.25Å; L707-F758 HydrophobicContact CB-CE1 4.11Å; L707-F758 HydrophobicContact CD1-CD1 4.05Å; L707-F758 HydrophobicContact CD1-CE1 3.82Å; L707-F758 HydrophobicContact CD1-CE2 4.48Å; L707-F758 HydrophobicContact CD1-CG 4.47Å; L707-F758 HydrophobicContact CD1-CZ 4.06Å; L707-F758 HydrophobicContact CD2-CE1 4.42Å; L707-F758 HydrophobicContact CG-CE1 4.34Å |
| 708 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.8 | 174.2 | -170.4 | 167 | 68.1 | 0 | 0 | 111.4 | L684 Q700 F701 L702 V710 F724 W729 M756 F757 | L684-M708 HydrophobicContact CD2-CG 4.43Å; L684-M708 HydrophobicContact CD2-SD 3.83Å; Q700-M708 PolarHBondContact NE2-SD 3.25Å; F701-M708 WeakPolarHBondContact O-CA 3.2Å; L702-M708 HydrophobicContact CD2-CB 3.56Å; L702-M708 HydrophobicContact CD2-CG 3.82Å; L702-M708 HydrophobicContact CD2-SD 4.34Å; M708-V710 HydrophobicContact CE-CG2 4.17Å; M708-V710 HydrophobicContact CG-CG2 4.04Å; M708-F724 HydrophobicContact CE-CD1 3.45Å; M708-F724 VanDerWaalsContact CE-CD1 3.45Å; M708-F724 HydrophobicContact CE-CE1 3.3Å; M708-F724 HydrophobicContact CE-CG 4.13Å; M708-F724 HydrophobicContact CE-CZ 3.89Å; M708-W729 HydrophobicContact CB-CE3 4.39Å; M708-W729 HydrophobicContact CB-CH2 4.12Å; M708-W729 HydrophobicContact CB-CZ3 3.67Å; M708-W729 HydrophobicContact CE-CD2 4.45Å; M708-W729 HydrophobicContact CE-CE3 4.32Å; M708-W729 HydrophobicContact CE-CZ3 4.37Å; M708-W729 HydrophobicContact SD-CH2 4.17Å; M708-W729 HydrophobicContact SD-CZ2 4.46Å; M708-W729 HydrophobicContact SD-CZ3 4.4Å; M708-M756 CarbonylContact O-C 3.51Å; M708-M756 WeakPolarHBondContact O-CA 3.39Å; M708-F757 HydrophobicContact CB-CB 4.42Å; M708-F757 HydrophobicContact CE-CB 4.26Å; M708-F757 HydrophobicContact CE-CD2 4.13Å; M708-F757 HydrophobicContact CE-CG 4.39Å; M708-F757 PolarHBondContact N-O 3.01Å; M708-F757 PolarHBondContact O-N 3.35Å |
| 709 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.1 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | F623 Q700 F701 I754 | F623-V709 HydrophobicContact CB-CG1 4.35Å; F623-V709 HydrophobicContact CB-CG2 4.26Å; F623-V709 HydrophobicContact CD1-CG2 4.21Å; F623-V709 HydrophobicContact CD2-CG1 4.16Å; F623-V709 HydrophobicContact CG-CG1 4.24Å; F623-V709 HydrophobicContact CG-CG2 4.11Å; Q700-V709 WeakPolarHBondContact CA-O 3.47Å; Q700-V709 WeakPolarHBondContact CB-O 3.37Å; F701-V709 HydrophobicContact CD2-CB 4.11Å; F701-V709 HydrophobicContact CD2-CG2 4.32Å; F701-V709 HydrophobicContact CE1-CB 4.08Å; F701-V709 HydrophobicContact CE1-CG1 4.07Å; F701-V709 HydrophobicContact CE2-CB 3.64Å; F701-V709 HydrophobicContact CE2-CG1 4.14Å; F701-V709 HydrophobicContact CE2-CG2 3.74Å; F701-V709 HydrophobicContact CZ-CB 3.63Å; F701-V709 HydrophobicContact CZ-CG1 3.64Å; F701-V709 HydrophobicContact CZ-CG2 4.12Å; F701-V709 PolarHBondContact N-O 3.37Å; F701-V709 VanDerWaalsContact N-O 3.17Å; F701-V709 PolarHBondContact O-N 3.07Å; V709-I754 HydrophobicContact CG1-CD1 3.69Å; V709-I754 HydrophobicContact CG1-CG1 4.29Å |
| 710 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 86.4 | -177.7 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | Q700 M708 A722 I747 G755 F757 | Q700-V710 HydrophobicContact CB-CB 4.46Å; Q700-V710 HydrophobicContact CB-CG1 4.29Å; Q700-V710 HydrophobicContact CB-CG2 4.14Å; M708-V710 HydrophobicContact CE-CG2 4.17Å; M708-V710 HydrophobicContact CG-CG2 4.04Å; V710-A722 HydrophobicContact CG1-CB 3.63Å; V710-A722 HydrophobicContact CG2-CB 4.48Å; V710-I747 HydrophobicContact CB-CD1 3.74Å; V710-I747 HydrophobicContact CG1-CD1 3.37Å; V710-I747 HydrophobicContact CG1-CG1 4.48Å; V710-G755 PolarHBondContact N-O 2.8Å; V710-G755 WeakPolarHBondContact O-CA 3.39Å; V710-G755 PolarHBondContact O-N 3.09Å; V710-F757 HydrophobicContact CB-CE2 4.22Å; V710-F757 HydrophobicContact CG2-CD2 3.91Å; V710-F757 HydrophobicContact CG2-CE2 3.83Å |
| 711 | P | 97.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | trans | -74.5 | 155.8 | -179.2 | 32.6 | -37.2 | 0 | 0 | 0 | 112.1 | I584 L620 V713 R720 I754 | I584-P711 HydrophobicContact CD1-CG 3.71Å; L620-P711 HydrophobicContact CB-CB 4.15Å; L620-P711 HydrophobicContact CD1-CB 4.15Å; L620-P711 HydrophobicContact CD1-CG 4.01Å; P711-V713 HydrophobicContact CB-CG1 4.19Å; P711-V713 HydrophobicContact CG-CG1 3.86Å; P711-R720 WeakPolarHBondContact O-CD 3.14Å; P711-R720 PolarHBondContact O-NH1 3.04Å; P711-I754 HydrophobicContact CB-CD1 4.42Å | ||
| 712 | I | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -83.3 | 120.4 | 161.9 | -61.9 | -60.7 | 0 | 0 | 0 | 107.8 | E714 R720 V749 | I712-E714 WeakPolarHBondContact CG2-O 3.18Å; I712-R720 HydrophobicContact CD1-CB 4.19Å; I712-R720 HydrophobicContact CD1-CG 3.73Å; I712-V749 HydrophobicContact CD1-CB 4.06Å; I712-V749 HydrophobicContact CD1-CG2 4.28Å; I712-V749 HydrophobicContact CG1-CB 3.95Å; I712-V749 HydrophobicContact CG1-CG1 4.2Å | ||
| 713 | V | 96.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | trans | -116 | 14.3 | -176.2 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | W577 L580 R581 I584 P711 | W577-V713 VanDerWaalsContact CE3-C 3.5Å; L580-V713 HydrophobicContact CD2-CB 4.46Å; R581-V713 HydrophobicContact CB-CB 4.47Å; I584-V713 HydrophobicContact CD1-CG1 3.95Å; P711-V713 HydrophobicContact CB-CG1 4.19Å; P711-V713 HydrophobicContact CG-CG1 3.86Å | ||
| 714 | E | 97.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 32 Ų | 32 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -128.3 | 143.4 | -179.9 | -63.5 | -65.3 | 165.8 | 0 | 0 | 110.5 | W577 I712 S717 | W577-E714 WeakPolarHBondContact CZ3-O 3.28Å; I712-E714 WeakPolarHBondContact CG2-O 3.18Å; E714-S717 WeakPolarHBondContact O-CB 3.35Å |
| 715 | A | 97.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 32 Ų | 32 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 153 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | W577 S717 | W577-A715 HydrophobicContact CD2-CB 4.13Å; W577-A715 HydrophobicContact CH2-CB 4.43Å; W577-A715 VanDerWaalsContact CZ2-CA 3.45Å; W577-A715 HydrophobicContact CZ2-CB 3.73Å; A715-S717 PolarHBondContact O-N 3.05Å; A715-S717 PolarHBondContact O-OG 3.14Å |
| 716 | N | 96.3 | Very high | 97.1 | Very high | 145 Ų | 145 | 34.5 Ų | 34.5 | 78% | 0.775 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 28.5 | 177.6 | -60.8 | -71.3 | 0 | 0 | 0 | 114.7 | E612 | E612-N716 VanDerWaalsContact CD-N 3.32Å; E612-N716 WeakPolarHBondContact OE1-CA 3.33Å; E612-N716 PolarHBondContact OE1-N 3.35Å; E612-N716 PolarHBondContact OE2-N 3.39Å |
| 717 | S | 96.3 | Very high | 97 | Very high | 35 Ų | 35 | 34 Ų | 34 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | trans | -113.4 | 137.4 | -173.1 | -65.6 | 0 | 0 | 0 | 0 | 112 | R616 E714 A715 | R616-S717 PolarHBondContact NH2-O 3.22Å; E714-S717 WeakPolarHBondContact O-CB 3.35Å; A715-S717 PolarHBondContact O-N 3.05Å; A715-S717 PolarHBondContact O-OG 3.14Å | ||
| 718 | T | 95.6 | Very high | 97 | Very high | 76 Ų | 76 | 36.2 Ų | 36.2 | 47% | 0.466 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -127.1 | 11.8 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 112 | V749 | T718-V749 CarbonylContact C-O 3.52Å; T718-V749 WeakPolarHBondContact CA-O 3.26Å; T718-V749 CarbonylContact O-C 3.57Å; T718-V749 PolarHBondContact O-N 2.85Å; T718-V749 VanDerWaalsContact O-O 3.12Å |
| 719 | S | 95.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.6 | 172.7 | 64.5 | 0 | 0 | 0 | 0 | 109.8 | I747 | S719-I747 CarbonylContact C-O 3.48Å; S719-I747 WeakPolarHBondContact CA-O 3.44Å; S719-I747 VanDerWaalsContact CB-O 3.25Å; S719-I747 WeakPolarHBondContact CB-O 3.28Å |
| 720 | R | 95.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.3 | 172.4 | 61.1 | 171.1 | -73.4 | -153.8 | -11.2 | 111.2 | D699 P711 I712 T746 I747 | D699-R720 PolarHBondContact O-NH1 3.13Å; D699-R720 IonicContact OD1-CZ 3.17Å; D699-R720 IonicContact OD1-NH1 2.79Å; D699-R720 IonicContact OD1-NH2 2.73Å; D699-R720 PolarHBondContact OD1-NH2 3.42Å; D699-R720 IonicContact OD2-CZ 2.71Å; D699-R720 IonicContact OD2-NH2 2.82Å; D699-R720 PolarHBondContact OD2-NH2 2.86Å; P711-R720 WeakPolarHBondContact O-CD 3.14Å; P711-R720 PolarHBondContact O-NH1 3.04Å; I712-R720 HydrophobicContact CD1-CB 4.19Å; I712-R720 HydrophobicContact CD1-CG 3.73Å; R720-T746 WeakPolarHBondContact O-CA 3.34Å; R720-I747 HydrophobicContact CG-CD1 4.21Å; R720-I747 HydrophobicContact CG-CG1 3.93Å; R720-I747 PolarHBondContact N-O 2.92Å; R720-I747 WeakPolarHBondContact O-CG1 3.34Å; R720-I747 PolarHBondContact O-N 2.81Å |
| 721 | Q | 96.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 38.1 Ų | 38.1 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 136.6 | 164.3 | -66 | -60.6 | -28.1 | 0 | 0 | 109.5 | T746 | Q721-T746 PolarHBondContact NE2-OG1 2.81Å |
| 722 | A | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V710 F724 N744 I745 I747 | V710-A722 HydrophobicContact CG1-CB 3.63Å; V710-A722 HydrophobicContact CG2-CB 4.48Å; A722-F724 HydrophobicContact CB-CD2 4.46Å; A722-F724 HydrophobicContact CB-CE2 3.88Å; A722-N744 WeakPolarHBondContact O-CA 3.38Å; A722-I745 PolarHBondContact N-O 3.35Å; A722-I745 PolarHBondContact O-N 2.99Å; A722-I747 HydrophobicContact CB-CD1 4.09Å; A722-I747 HydrophobicContact CB-CG1 4.1Å; A722-I747 HydrophobicContact CB-CG2 4.15Å |
| 723 | Y | 98.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.4 | 178.8 | -172.7 | -103.8 | 0 | 0 | 0 | 110 | L684 D691 L693 A694 V697 Q700 P725 N744 | L684-Y723 HydrophobicContact CD1-CD1 3.94Å; D691-Y723 VanDerWaalsContact CG-OH 3.32Å; D691-Y723 PolarHBondContact OD1-OH 3.48Å; D691-Y723 VanDerWaalsContact OD1-OH 3.07Å; D691-Y723 WeakPolarHBondContact OD2-CE1 3.37Å; D691-Y723 PolarHBondContact OD2-OH 3.5Å; L693-Y723 HydrophobicContact CB-CD2 4.36Å; L693-Y723 HydrophobicContact CB-CE1 4.23Å; L693-Y723 HydrophobicContact CB-CE2 3.69Å; L693-Y723 HydrophobicContact CD1-CE2 3.68Å; L693-Y723 HydrophobicContact CG-CE2 4.35Å; A694-Y723 HydrophobicContact CB-CE1 4.16Å; V697-Y723 HydrophobicContact CG2-CD1 4.25Å; V697-Y723 HydrophobicContact CG2-CG 4.26Å; Q700-Y723 PolarHBondContact NE2-O 3.21Å; Y723-P725 HydrophobicContact CD1-CG 4.07Å; Y723-P725 HydrophobicContact CE1-CB 4.33Å; Y723-P725 HydrophobicContact CE1-CG 3.98Å; Y723-N744 WeakPolarHBondContact CD2-OD1 3.49Å |
| 724 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 111 | 173.5 | -72.8 | -100 | 0 | 0 | 0 | 109.4 | M708 A722 W729 V738 V741 P742 G743 I745 I747 F757 | M708-F724 HydrophobicContact CE-CD1 3.45Å; M708-F724 VanDerWaalsContact CE-CD1 3.45Å; M708-F724 HydrophobicContact CE-CE1 3.3Å; M708-F724 HydrophobicContact CE-CG 4.13Å; M708-F724 HydrophobicContact CE-CZ 3.89Å; A722-F724 HydrophobicContact CB-CD2 4.46Å; A722-F724 HydrophobicContact CB-CE2 3.88Å; F724-W729 HydrophobicContact CD1-CB 4.21Å; F724-W729 AromaticContact CD1-CD1 3.89Å; F724-W729 HydrophobicContact CD1-CD2 4.32Å; F724-W729 AromaticContact CD1-CG 3.88Å; F724-W729 HydrophobicContact CD1-CG 3.88Å; F724-W729 HydrophobicContact CE1-CB 4.41Å; F724-W729 HydrophobicContact CE1-CG 4.45Å; F724-V738 HydrophobicContact CD1-CG1 4.15Å; F724-V738 HydrophobicContact CE1-CB 4.41Å; F724-V738 HydrophobicContact CE1-CG1 3.96Å; F724-V738 HydrophobicContact CE1-CG2 3.99Å; F724-V738 HydrophobicContact CZ-CG1 4.19Å; F724-V741 HydrophobicContact CB-CB 4.43Å; F724-V741 HydrophobicContact CB-CG1 4.01Å; F724-V741 HydrophobicContact CB-CG2 3.8Å; F724-V741 HydrophobicContact CD1-CG2 4.34Å; F724-V741 HydrophobicContact CG-CG2 4.22Å; F724-P742 CarbonylContact O-C 3.46Å; F724-P742 WeakPolarHBondContact O-CA 3.35Å; F724-P742 WeakPolarHBondContact O-CB 3.33Å; F724-G743 PolarHBondContact N-O 2.88Å; F724-G743 PolarHBondContact O-N 2.8Å; F724-I745 HydrophobicContact CB-CD1 4.09Å; F724-I745 HydrophobicContact CD2-CB 3.89Å; F724-I745 HydrophobicContact CD2-CD1 3.65Å; F724-I745 HydrophobicContact CD2-CG1 4Å; F724-I745 HydrophobicContact CE2-CB 4.02Å; F724-I745 HydrophobicContact CE2-CD1 4.26Å; F724-I745 HydrophobicContact CG-CD1 3.94Å; F724-I747 HydrophobicContact CE2-CG2 3.72Å; F724-I747 HydrophobicContact CZ-CG2 3.92Å; F724-F757 HydrophobicContact CE1-CB 4.3Å; F724-F757 AromaticContact CE1-CD1 3.81Å; F724-F757 HydrophobicContact CE1-CD1 3.81Å; F724-F757 HydrophobicContact CE1-CD2 4.06Å; F724-F757 HydrophobicContact CE1-CE1 4.11Å; F724-F757 HydrophobicContact CE1-CE2 4.36Å; F724-F757 AromaticContact CE1-CG 3.78Å; F724-F757 HydrophobicContact CE1-CG 3.78Å; F724-F757 HydrophobicContact CE1-CZ 4.38Å; F724-F757 HydrophobicContact CZ-CD1 4.01Å; F724-F757 AromaticContact CZ-CD2 4Å; F724-F757 HydrophobicContact CZ-CD2 4Å; F724-F757 AromaticContact CZ-CE1 3.83Å; F724-F757 HydrophobicContact CZ-CE1 3.83Å; F724-F757 AromaticContact CZ-CE2 3.84Å; F724-F757 HydrophobicContact CZ-CE2 3.84Å; F724-F757 HydrophobicContact CZ-CG 4.09Å; F724-F757 AromaticContact CZ-CZ 3.76Å; F724-F757 HydrophobicContact CZ-CZ 3.76Å |
| 725 | P | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -66.4 | 166.2 | 172.5 | -20.5 | 32.8 | 0 | 0 | 0 | 112.2 | L684 Y688 Y723 A727 W729 V741 | L684-P725 HydrophobicContact CB-CG 4.34Å; L684-P725 HydrophobicContact CD1-CG 3.91Å; L684-P725 HydrophobicContact CD2-CG 4.48Å; L684-P725 HydrophobicContact CG-CG 4.49Å; Y688-P725 HydrophobicContact CD1-CB 3.67Å; Y688-P725 HydrophobicContact CD2-CB 3.47Å; Y688-P725 VanDerWaalsContact CD2-CB 3.47Å; Y688-P725 HydrophobicContact CD2-CG 3.57Å; Y688-P725 HydrophobicContact CE1-CB 3.69Å; Y688-P725 HydrophobicContact CE2-CB 3.51Å; Y688-P725 HydrophobicContact CE2-CG 3.63Å; Y688-P725 HydrophobicContact CG-CB 3.56Å; Y688-P725 HydrophobicContact CG-CG 4.12Å; Y723-P725 HydrophobicContact CD1-CG 4.07Å; Y723-P725 HydrophobicContact CE1-CB 4.33Å; Y723-P725 HydrophobicContact CE1-CG 3.98Å; P725-A727 PolarHBondContact O-N 3.19Å; P725-W729 PolarHBondContact O-NE1 3.4Å; P725-V741 WeakPolarHBondContact O-CG1 3.42Å | ||
| 726 | S | 95.5 | Very high | 94.6 | Very high | 85 Ų | 85 | 44.1 Ų | 44.1 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -64.3 | 99.4 | -178.8 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 727 | A | 95.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -163.7 | 170.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P725 W729 V741 R759 | P725-A727 PolarHBondContact O-N 3.19Å; A727-W729 HydrophobicContact CB-CZ2 4.44Å; A727-V741 WeakPolarHBondContact O-CG1 3.49Å; A727-R759 HydrophobicContact CB-CG 3.97Å |
| 728 | R | 95.7 | Very high | 94.2 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | trans | -73.6 | 136.3 | 158.4 | -165.9 | 175.5 | -174.8 | -170.3 | 3.1 | 107.7 | F730 G760 P787 D788 G846 | R728-F730 HydrophobicContact CG-CE2 3.92Å; R728-F730 HydrophobicContact CG-CZ 4.03Å; R728-G760 PolarHBondContact O-N 3.49Å; R728-P787 WeakPolarHBondContact CD-O 3.43Å; R728-P787 PolarHBondContact NH1-O 3.32Å; R728-P787 VanDerWaalsContact NH1-O 3.15Å; R728-D788 PolarHBondContact NH1-O 2.82Å; R728-G846 PolarHBondContact NH2-O 3.2Å | ||
| 729 | W | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.3 | 174.4 | -66.6 | 95.2 | 0 | 0 | 0 | 109.7 | Y688 L702 M708 F724 P725 A727 P737 V738 F757 F758 R759 | Y688-W729 HydrophobicContact CE2-CZ2 4.26Å; Y688-W729 VanDerWaalsContact OH-CZ2 3.28Å; Y688-W729 WeakPolarHBondContact OH-CZ2 3.1Å; L702-W729 HydrophobicContact CD2-CH2 4.05Å; M708-W729 HydrophobicContact CB-CE3 4.39Å; M708-W729 HydrophobicContact CB-CH2 4.12Å; M708-W729 HydrophobicContact CB-CZ3 3.67Å; M708-W729 HydrophobicContact CE-CD2 4.45Å; M708-W729 HydrophobicContact CE-CE3 4.32Å; M708-W729 HydrophobicContact CE-CZ3 4.37Å; M708-W729 HydrophobicContact SD-CH2 4.17Å; M708-W729 HydrophobicContact SD-CZ2 4.46Å; M708-W729 HydrophobicContact SD-CZ3 4.4Å; F724-W729 HydrophobicContact CD1-CB 4.21Å; F724-W729 AromaticContact CD1-CD1 3.89Å; F724-W729 HydrophobicContact CD1-CD2 4.32Å; F724-W729 AromaticContact CD1-CG 3.88Å; F724-W729 HydrophobicContact CD1-CG 3.88Å; F724-W729 HydrophobicContact CE1-CB 4.41Å; F724-W729 HydrophobicContact CE1-CG 4.45Å; P725-W729 PolarHBondContact O-NE1 3.4Å; A727-W729 HydrophobicContact CB-CZ2 4.44Å; W729-P737 CarbonylContact O-C 3.59Å; W729-P737 VanDerWaalsContact O-CA 3.26Å; W729-P737 WeakPolarHBondContact O-CA 3.39Å; W729-V738 HydrophobicContact CB-CB 4.02Å; W729-V738 HydrophobicContact CB-CG2 3.82Å; W729-V738 PolarHBondContact O-N 3.33Å; W729-F757 HydrophobicContact CE3-CB 4.1Å; W729-F758 CarbonylContact C-O 3.55Å; W729-F758 WeakPolarHBondContact CA-O 3.47Å; W729-R759 HydrophobicContact CE3-CB 3.95Å; W729-R759 HydrophobicContact CE3-CG 4.44Å; W729-R759 HydrophobicContact CH2-CB 3.92Å; W729-R759 HydrophobicContact CH2-CG 4Å; W729-R759 HydrophobicContact CZ2-CG 4.22Å; W729-R759 HydrophobicContact CZ3-CB 3.57Å; W729-R759 HydrophobicContact CZ3-CG 4.12Å |
| 730 | F | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.3 | 177.8 | -61.5 | -92.3 | 0 | 0 | 0 | 109.8 | R728 L732 S736 P737 F757 F758 C786 L845 | R728-F730 HydrophobicContact CG-CE2 3.92Å; R728-F730 HydrophobicContact CG-CZ 4.03Å; F730-L732 PolarHBondContact O-N 2.88Å; F730-S736 WeakPolarHBondContact CA-O 3.37Å; F730-P737 HydrophobicContact CD1-CG 4.17Å; F730-P737 HydrophobicContact CE1-CG 4.03Å; F730-F757 CarbonylContact O-C 3.52Å; F730-F757 WeakPolarHBondContact O-CA 3.3Å; F730-F758 PolarHBondContact N-O 2.94Å; F730-F758 PolarHBondContact O-N 3.34Å; F730-C786 HydrophobicContact CD2-CB 4Å; F730-C786 HydrophobicContact CE2-CB 3.99Å; F730-L845 HydrophobicContact CB-CD1 3.9Å; F730-L845 HydrophobicContact CD1-CB 3.95Å; F730-L845 HydrophobicContact CD1-CD1 4.2Å; F730-L845 HydrophobicContact CE1-CB 3.92Å; F730-L845 HydrophobicContact CG-CB 4.44Å; F730-L845 HydrophobicContact CG-CD1 4.07Å; F730-L845 HydrophobicContact CZ-CB 4.39Å |
| 731 | N | 94.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.3 | 174.3 | 179.2 | -54.1 | 0 | 0 | 0 | 109.7 | T733 S734 L735 S736 F757 | N731-T733 VanDerWaalsContact C-N 3.29Å; N731-T733 PolarHBondContact O-N 2.97Å; N731-T733 WeakPolarHBondContact OD1-CA 3.38Å; N731-T733 WeakPolarHBondContact OD1-CB 3.34Å; N731-T733 PolarHBondContact OD1-N 3.03Å; N731-S734 WeakPolarHBondContact CB-OG 3.46Å; N731-S734 PolarHBondContact OD1-N 3.09Å; N731-L735 WeakPolarHBondContact O-CA 3.48Å; N731-L735 PolarHBondContact O-N 3.33Å; N731-S736 PolarHBondContact N-O 3.24Å; N731-F757 HydrophobicContact CB-CD1 3.98Å; N731-F757 HydrophobicContact CB-CE1 3.94Å |
| 732 | L | 90.7 | Very high | 93.7 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.2 | -176.9 | 166.3 | 58.9 | 0 | 0 | 0 | 113.4 | L658 F730 L735 M756 F758 | L658-L732 HydrophobicContact CD1-CD2 3.97Å; L658-L732 HydrophobicContact CD2-CD2 3.86Å; L658-L732 HydrophobicContact CG-CD2 4.46Å; F730-L732 PolarHBondContact O-N 2.88Å; L732-L735 VanDerWaalsContact O-CD2 3.29Å; L732-L735 WeakPolarHBondContact O-CD2 3.34Å; L732-M756 HydrophobicContact CB-CB 3.98Å; L732-M756 WeakPolarHBondContact CB-O 3.25Å; L732-M756 HydrophobicContact CD2-CB 3.79Å; L732-M756 HydrophobicContact CD2-CE 3.65Å; L732-M756 HydrophobicContact CD2-CG 4.43Å; L732-M756 HydrophobicContact CD2-SD 3.76Å; L732-M756 PolarHBondContact N-O 2.87Å; L732-F758 HydrophobicContact CB-CD2 4.29Å; L732-F758 HydrophobicContact CB-CE2 4.05Å; L732-F758 HydrophobicContact CD1-CD2 4.4Å; L732-F758 HydrophobicContact CD1-CE2 3.52Å; L732-F758 HydrophobicContact CD1-CZ 4.35Å; L732-F758 HydrophobicContact CD2-CE2 4.29Å; L732-F758 HydrophobicContact CG-CE2 4.12Å |
| 733 | T | 86.3 | Confident | 93.6 | Very high | 104 Ų | 104 | 47 Ų | 47 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -50.4 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | N731 | N731-T733 VanDerWaalsContact C-N 3.29Å; N731-T733 PolarHBondContact O-N 2.97Å; N731-T733 WeakPolarHBondContact OD1-CA 3.38Å; N731-T733 WeakPolarHBondContact OD1-CB 3.34Å; N731-T733 PolarHBondContact OD1-N 3.03Å |
| 734 | S | 87.9 | Confident | 93.5 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.3 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 113 | N731 S736 | N731-S734 WeakPolarHBondContact CB-OG 3.46Å; N731-S734 PolarHBondContact OD1-N 3.09Å; S734-S736 PolarHBondContact O-N 3.07Å; S734-S736 VanDerWaalsContact O-N 3.14Å; S734-S736 PolarHBondContact OG-N 3.2Å; S734-S736 PolarHBondContact OG-OG 2.99Å |
| 735 | L | 89.3 | Confident | 93.4 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | trans | 60.8 | 8.6 | -169.9 | -53.3 | 178.5 | 0 | 0 | 0 | 113.9 | N731 L732 L845 V874 | N731-L735 WeakPolarHBondContact O-CA 3.48Å; N731-L735 PolarHBondContact O-N 3.33Å; L732-L735 VanDerWaalsContact O-CD2 3.29Å; L732-L735 WeakPolarHBondContact O-CD2 3.34Å; L735-L845 HydrophobicContact CB-CD2 4.19Å; L735-L845 HydrophobicContact CD1-CD2 4.46Å; L735-L845 HydrophobicContact CD2-CD1 4.37Å; L735-L845 HydrophobicContact CD2-CD2 4.2Å; L735-V874 HydrophobicContact CB-CG2 4.09Å; L735-V874 HydrophobicContact CD1-CG2 4.08Å | ||
| 736 | S | 89.5 | Confident | 93.4 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 150.7 | -179 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | F730 N731 S734 | F730-S736 WeakPolarHBondContact CA-O 3.37Å; N731-S736 PolarHBondContact N-O 3.24Å; S734-S736 PolarHBondContact O-N 3.07Å; S734-S736 VanDerWaalsContact O-N 3.14Å; S734-S736 PolarHBondContact OG-N 3.2Å; S734-S736 PolarHBondContact OG-OG 2.99Å |
| 737 | P | 91.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -57.4 | 148 | 168 | -22.5 | 33.5 | 0 | 0 | 0 | 111.9 | W729 F730 | W729-P737 CarbonylContact O-C 3.59Å; W729-P737 VanDerWaalsContact O-CA 3.26Å; W729-P737 WeakPolarHBondContact O-CA 3.39Å; F730-P737 HydrophobicContact CD1-CG 4.17Å; F730-P737 HydrophobicContact CE1-CG 4.03Å |
| 738 | V | 93.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 128.4 | 168.3 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | F724 W729 V741 I745 F757 | F724-V738 HydrophobicContact CD1-CG1 4.15Å; F724-V738 HydrophobicContact CE1-CB 4.41Å; F724-V738 HydrophobicContact CE1-CG1 3.96Å; F724-V738 HydrophobicContact CE1-CG2 3.99Å; F724-V738 HydrophobicContact CZ-CG1 4.19Å; W729-V738 HydrophobicContact CB-CB 4.02Å; W729-V738 HydrophobicContact CB-CG2 3.82Å; W729-V738 PolarHBondContact O-N 3.33Å; V738-V741 HydrophobicContact CB-CG2 4.25Å; V738-V741 HydrophobicContact CG1-CG2 3.91Å; V738-I745 HydrophobicContact CG1-CD1 3.85Å; V738-F757 HydrophobicContact CG2-CD1 3.51Å; V738-F757 HydrophobicContact CG2-CE1 3.84Å |
| 739 | E | 92.4 | Very high | 93.1 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 163.5 | 178 | -60.1 | -176.6 | 172.5 | 0 | 0 | 111.4 | V741 I745 | E739-V741 PolarHBondContact O-N 2.74Å; E739-I745 VanDerWaalsContact O-CD1 3.26Å; E739-I745 WeakPolarHBondContact O-CD1 3.24Å |
| 740 | N | 91.4 | Very high | 92.9 | Very high | 139 Ų | 139 | 64.1 Ų | 64.1 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 64.2 | 31.4 | 175 | -49.4 | -58 | 0 | 0 | 0 | 115.9 | ||
| 741 | V | 92.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | trans | -91.4 | 142.4 | 173 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | F724 P725 A727 V738 E739 I745 | F724-V741 HydrophobicContact CB-CB 4.43Å; F724-V741 HydrophobicContact CB-CG1 4.01Å; F724-V741 HydrophobicContact CB-CG2 3.8Å; F724-V741 HydrophobicContact CD1-CG2 4.34Å; F724-V741 HydrophobicContact CG-CG2 4.22Å; P725-V741 WeakPolarHBondContact O-CG1 3.42Å; A727-V741 WeakPolarHBondContact O-CG1 3.49Å; V738-V741 HydrophobicContact CB-CG2 4.25Å; V738-V741 HydrophobicContact CG1-CG2 3.91Å; E739-V741 PolarHBondContact O-N 2.74Å; V741-I745 HydrophobicContact CG2-CD1 3.74Å | ||
| 742 | P | 95.7 | Very high | 92.7 | Very high | 77 Ų | 77 | 70.7 Ų | 70.7 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | S | Bend | cis | -84.5 | 158.5 | 0.1 | 34.5 | -35.4 | 0 | 0 | 0 | 114.1 | F724 | F724-P742 CarbonylContact O-C 3.46Å; F724-P742 WeakPolarHBondContact O-CA 3.35Å; F724-P742 WeakPolarHBondContact O-CB 3.33Å |
| 743 | G | 96 | Very high | 92.8 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 19% | 0.186 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -176.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | F724 | F724-G743 PolarHBondContact N-O 2.88Å; F724-G743 PolarHBondContact O-N 2.8Å |
| 744 | N | 96.8 | Very high | 93.2 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124 | 169.9 | -74 | -36 | 0 | 0 | 0 | 109.7 | A722 Y723 | A722-N744 WeakPolarHBondContact O-CA 3.38Å; Y723-N744 WeakPolarHBondContact CD2-OD1 3.49Å |
| 745 | I | 96.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.7 | 179.5 | -58.8 | 173.3 | 0 | 0 | 0 | 108 | A722 F724 V738 E739 V741 I747 | A722-I745 PolarHBondContact N-O 3.35Å; A722-I745 PolarHBondContact O-N 2.99Å; F724-I745 HydrophobicContact CB-CD1 4.09Å; F724-I745 HydrophobicContact CD2-CB 3.89Å; F724-I745 HydrophobicContact CD2-CD1 3.65Å; F724-I745 HydrophobicContact CD2-CG1 4Å; F724-I745 HydrophobicContact CE2-CB 4.02Å; F724-I745 HydrophobicContact CE2-CD1 4.26Å; F724-I745 HydrophobicContact CG-CD1 3.94Å; V738-I745 HydrophobicContact CG1-CD1 3.85Å; E739-I745 VanDerWaalsContact O-CD1 3.26Å; E739-I745 WeakPolarHBondContact O-CD1 3.24Å; V741-I745 HydrophobicContact CG2-CD1 3.74Å; I745-I747 PolarHBondContact O-N 3.36Å |
| 746 | T | 96.4 | Very high | 94 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 112.1 | 168.3 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | R720 Q721 Y748 | R720-T746 WeakPolarHBondContact O-CA 3.34Å; Q721-T746 PolarHBondContact NE2-OG1 2.81Å; T746-Y748 HydrophobicContact CG2-CE2 4Å |
| 747 | I | 94.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.2 | 171.2 | 63.4 | 162.9 | 0 | 0 | 0 | 109.8 | V710 S719 R720 A722 F724 I745 V749 F757 | V710-I747 HydrophobicContact CB-CD1 3.74Å; V710-I747 HydrophobicContact CG1-CD1 3.37Å; V710-I747 HydrophobicContact CG1-CG1 4.48Å; S719-I747 CarbonylContact C-O 3.48Å; S719-I747 WeakPolarHBondContact CA-O 3.44Å; S719-I747 VanDerWaalsContact CB-O 3.25Å; S719-I747 WeakPolarHBondContact CB-O 3.28Å; R720-I747 HydrophobicContact CG-CD1 4.21Å; R720-I747 HydrophobicContact CG-CG1 3.93Å; R720-I747 PolarHBondContact N-O 2.92Å; R720-I747 WeakPolarHBondContact O-CG1 3.34Å; R720-I747 PolarHBondContact O-N 2.81Å; A722-I747 HydrophobicContact CB-CD1 4.09Å; A722-I747 HydrophobicContact CB-CG1 4.1Å; A722-I747 HydrophobicContact CB-CG2 4.15Å; F724-I747 HydrophobicContact CE2-CG2 3.72Å; F724-I747 HydrophobicContact CZ-CG2 3.92Å; I745-I747 PolarHBondContact O-N 3.36Å; I747-V749 HydrophobicContact CD1-CG2 3.69Å; I747-V749 HydrophobicContact CG1-CG2 4.12Å; I747-F757 HydrophobicContact CD1-CE2 4.26Å; I747-F757 HydrophobicContact CD1-CZ 4.39Å; I747-F757 HydrophobicContact CG2-CZ 3.95Å |
| 748 | Y | 94.1 | Very high | 94.7 | Very high | 186 Ų | 186 | 57.3 Ų | 57.3 | 73% | 0.729 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.5 | 172 | -65.8 | -89.9 | 0 | 0 | 0 | 108.5 | T746 | T746-Y748 HydrophobicContact CG2-CE2 4Å |
| 749 | V | 92.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | trans | -127.5 | 105.1 | -177.3 | -175 | 0 | 0 | 0 | 0 | 107.6 | R616 I712 T718 I747 A753 | R616-V749 PolarHBondContact NH2-O 3.01Å; I712-V749 HydrophobicContact CD1-CB 4.06Å; I712-V749 HydrophobicContact CD1-CG2 4.28Å; I712-V749 HydrophobicContact CG1-CB 3.95Å; I712-V749 HydrophobicContact CG1-CG1 4.2Å; T718-V749 CarbonylContact C-O 3.52Å; T718-V749 WeakPolarHBondContact CA-O 3.26Å; T718-V749 CarbonylContact O-C 3.57Å; T718-V749 PolarHBondContact O-N 2.85Å; T718-V749 VanDerWaalsContact O-O 3.12Å; I747-V749 HydrophobicContact CD1-CG2 3.69Å; I747-V749 HydrophobicContact CG1-CG2 4.12Å; V749-A753 HydrophobicContact CG1-CB 4.33Å; V749-A753 WeakPolarHBondContact CG1-O 3.24Å | ||
| 750 | D | 92 | Very high | 95.1 | Very high | 122 Ų | 122 | 51.7 Ų | 51.7 | 65% | 0.652 | 27% | 0.266 | S | S | * | . | trans | -49.4 | 154.6 | 176.8 | -69.7 | -28.5 | 0 | 0 | 0 | 111.7 | R616 Y752 A753 | R616-D750 PolarHBondContact NH1-O 3.29Å; R616-D750 VanDerWaalsContact NH1-O 3.09Å; D750-Y752 PolarHBondContact O-N 2.8Å; D750-Y752 VanDerWaalsContact O-N 3.07Å; D750-A753 HydrophobicContact CB-CB 4.11Å; D750-A753 PolarHBondContact O-N 2.84Å; D750-A753 VanDerWaalsContact O-N 3.09Å | ||
| 751 | K | 93.4 | Very high | 95.4 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 39% | 0.391 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -37.5 | 179.2 | -175.4 | 176.8 | 177.4 | -173.5 | 0 | 112.7 | L615 R616 Q619 | L615-K751 HydrophobicContact CD2-CG 3.94Å; R616-K751 PolarHBondContact NH1-O 3.06Å; Q619-K751 PolarHBondContact NE2-O 3.19Å |
| 752 | Y | 94.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 35% | 0.349 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 31.4 | -175.7 | -52 | -63.2 | 0 | 0 | 0 | 113.2 | L615 E647 S651 D750 | L615-Y752 HydrophobicContact CD1-CD1 4.36Å; L615-Y752 HydrophobicContact CD2-CD1 3.82Å; L615-Y752 HydrophobicContact CD2-CE1 3.83Å; E647-Y752 HydrophobicContact CB-CE1 4.03Å; S651-Y752 WeakPolarHBondContact OG-CA 3.34Å; D750-Y752 PolarHBondContact O-N 2.8Å; D750-Y752 VanDerWaalsContact O-N 3.07Å |
| 753 | A | 92.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | trans | -139.8 | 165.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R616 Q619 V749 D750 | R616-A753 PolarHBondContact NH1-O 3.36Å; Q619-A753 VanDerWaalsContact CD-O 3.28Å; Q619-A753 PolarHBondContact NE2-O 2.88Å; Q619-A753 PolarHBondContact OE1-O 3.28Å; Q619-A753 VanDerWaalsContact OE1-O 3.09Å; V749-A753 HydrophobicContact CG1-CB 4.33Å; V749-A753 WeakPolarHBondContact CG1-O 3.24Å; D750-A753 HydrophobicContact CB-CB 4.11Å; D750-A753 PolarHBondContact O-N 2.84Å; D750-A753 VanDerWaalsContact O-N 3.09Å | ||
| 754 | I | 95.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | trans | -124.3 | 143.4 | 171.3 | -177.1 | 160.1 | 0 | 0 | 0 | 109.4 | Q619 F623 V655 V709 P711 M756 | Q619-I754 HydrophobicContact CB-CB 4.25Å; Q619-I754 HydrophobicContact CB-CD1 4.27Å; Q619-I754 WeakPolarHBondContact O-CD1 3.23Å; F623-I754 HydrophobicContact CD2-CD1 3.81Å; F623-I754 HydrophobicContact CE2-CD1 3.92Å; F623-I754 HydrophobicContact CE2-CG2 3.98Å; V655-I754 HydrophobicContact CG2-CG2 4Å; V709-I754 HydrophobicContact CG1-CD1 3.69Å; V709-I754 HydrophobicContact CG1-CG1 4.29Å; P711-I754 HydrophobicContact CB-CD1 4.42Å; I754-M756 HydrophobicContact CG1-CG 4.46Å; I754-M756 HydrophobicContact CG2-CG 4Å; I754-M756 HydrophobicContact CG2-SD 3.77Å; I754-M756 PolarHBondContact O-N 2.98Å | ||
| 755 | G | 96.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V710 | V710-G755 PolarHBondContact N-O 2.8Å; V710-G755 WeakPolarHBondContact O-CA 3.39Å; V710-G755 PolarHBondContact O-N 3.09Å |
| 756 | M | 96.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.6 | 179.5 | -72.5 | 179.7 | 74.1 | 0 | 0 | 111 | F623 L658 L662 L707 M708 L732 I754 | F623-M756 HydrophobicContact CD1-CE 4.09Å; F623-M756 HydrophobicContact CE1-CE 3.24Å; F623-M756 HydrophobicContact CE1-SD 3.7Å; F623-M756 HydrophobicContact CE2-CE 4.39Å; F623-M756 HydrophobicContact CE2-SD 3.76Å; F623-M756 HydrophobicContact CZ-CE 3.44Å; F623-M756 VanDerWaalsContact CZ-CE 3.44Å; F623-M756 HydrophobicContact CZ-SD 3.18Å; F623-M756 WeakPolarHBondContact CZ-SD 3.3Å; L658-M756 HydrophobicContact CD2-CE 4.19Å; L658-M756 HydrophobicContact CD2-SD 3.45Å; L658-M756 WeakPolarHBondContact CD2-SD 3.29Å; L658-M756 HydrophobicContact CG-SD 4.37Å; L662-M756 HydrophobicContact CD1-CE 3.76Å; L707-M756 HydrophobicContact CD1-CB 4.35Å; L707-M756 HydrophobicContact CD1-CE 3.78Å; L707-M756 HydrophobicContact CD2-CE 3.63Å; L707-M756 HydrophobicContact CG-CE 4.13Å; M708-M756 CarbonylContact O-C 3.51Å; M708-M756 WeakPolarHBondContact O-CA 3.39Å; L732-M756 HydrophobicContact CB-CB 3.98Å; L732-M756 WeakPolarHBondContact CB-O 3.25Å; L732-M756 HydrophobicContact CD2-CB 3.79Å; L732-M756 HydrophobicContact CD2-CE 3.65Å; L732-M756 HydrophobicContact CD2-CG 4.43Å; L732-M756 HydrophobicContact CD2-SD 3.76Å; L732-M756 PolarHBondContact N-O 2.87Å; I754-M756 HydrophobicContact CG1-CG 4.46Å; I754-M756 HydrophobicContact CG2-CG 4Å; I754-M756 HydrophobicContact CG2-SD 3.77Å; I754-M756 PolarHBondContact O-N 2.98Å |
| 757 | F | 97.9 | Very high | 96 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 126.7 | -171.2 | -53.4 | -91.3 | 0 | 0 | 0 | 111.4 | M708 V710 F724 W729 F730 N731 V738 I747 | M708-F757 HydrophobicContact CB-CB 4.42Å; M708-F757 HydrophobicContact CE-CB 4.26Å; M708-F757 HydrophobicContact CE-CD2 4.13Å; M708-F757 HydrophobicContact CE-CG 4.39Å; M708-F757 PolarHBondContact N-O 3.01Å; M708-F757 PolarHBondContact O-N 3.35Å; V710-F757 HydrophobicContact CB-CE2 4.22Å; V710-F757 HydrophobicContact CG2-CD2 3.91Å; V710-F757 HydrophobicContact CG2-CE2 3.83Å; F724-F757 HydrophobicContact CE1-CB 4.3Å; F724-F757 AromaticContact CE1-CD1 3.81Å; F724-F757 HydrophobicContact CE1-CD1 3.81Å; F724-F757 HydrophobicContact CE1-CD2 4.06Å; F724-F757 HydrophobicContact CE1-CE1 4.11Å; F724-F757 HydrophobicContact CE1-CE2 4.36Å; F724-F757 AromaticContact CE1-CG 3.78Å; F724-F757 HydrophobicContact CE1-CG 3.78Å; F724-F757 HydrophobicContact CE1-CZ 4.38Å; F724-F757 HydrophobicContact CZ-CD1 4.01Å; F724-F757 AromaticContact CZ-CD2 4Å; F724-F757 HydrophobicContact CZ-CD2 4Å; F724-F757 AromaticContact CZ-CE1 3.83Å; F724-F757 HydrophobicContact CZ-CE1 3.83Å; F724-F757 AromaticContact CZ-CE2 3.84Å; F724-F757 HydrophobicContact CZ-CE2 3.84Å; F724-F757 HydrophobicContact CZ-CG 4.09Å; F724-F757 AromaticContact CZ-CZ 3.76Å; F724-F757 HydrophobicContact CZ-CZ 3.76Å; W729-F757 HydrophobicContact CE3-CB 4.1Å; F730-F757 CarbonylContact O-C 3.52Å; F730-F757 WeakPolarHBondContact O-CA 3.3Å; N731-F757 HydrophobicContact CB-CD1 3.98Å; N731-F757 HydrophobicContact CB-CE1 3.94Å; V738-F757 HydrophobicContact CG2-CD1 3.51Å; V738-F757 HydrophobicContact CG2-CE1 3.84Å; I747-F757 HydrophobicContact CD1-CE2 4.26Å; I747-F757 HydrophobicContact CD1-CZ 4.39Å; I747-F757 HydrophobicContact CG2-CZ 3.95Å |
| 758 | F | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 134.7 | 172.4 | -71.9 | -73.4 | 0 | 0 | 0 | 111.1 | L662 E706 L707 W729 F730 L732 V764 L784 C786 | L662-F758 HydrophobicContact CD2-CZ 4.26Å; E706-F758 CarbonylContact O-C 3.36Å; E706-F758 WeakPolarHBondContact O-CA 3.3Å; L707-F758 HydrophobicContact CB-CD1 4.25Å; L707-F758 HydrophobicContact CB-CE1 4.11Å; L707-F758 HydrophobicContact CD1-CD1 4.05Å; L707-F758 HydrophobicContact CD1-CE1 3.82Å; L707-F758 HydrophobicContact CD1-CE2 4.48Å; L707-F758 HydrophobicContact CD1-CG 4.47Å; L707-F758 HydrophobicContact CD1-CZ 4.06Å; L707-F758 HydrophobicContact CD2-CE1 4.42Å; L707-F758 HydrophobicContact CG-CE1 4.34Å; W729-F758 CarbonylContact C-O 3.55Å; W729-F758 WeakPolarHBondContact CA-O 3.47Å; F730-F758 PolarHBondContact N-O 2.94Å; F730-F758 PolarHBondContact O-N 3.34Å; L732-F758 HydrophobicContact CB-CD2 4.29Å; L732-F758 HydrophobicContact CB-CE2 4.05Å; L732-F758 HydrophobicContact CD1-CD2 4.4Å; L732-F758 HydrophobicContact CD1-CE2 3.52Å; L732-F758 HydrophobicContact CD1-CZ 4.35Å; L732-F758 HydrophobicContact CD2-CE2 4.29Å; L732-F758 HydrophobicContact CG-CE2 4.12Å; F758-V764 HydrophobicContact CD1-CG2 3.99Å; F758-V764 HydrophobicContact CE1-CB 4.15Å; F758-V764 HydrophobicContact CE1-CG1 4.12Å; F758-V764 HydrophobicContact CE1-CG2 3.87Å; F758-L784 HydrophobicContact CD1-CD2 4.32Å; F758-L784 HydrophobicContact CD2-CD2 3.47Å; F758-L784 VanDerWaalsContact CD2-CD2 3.47Å; F758-L784 HydrophobicContact CE1-CD2 4.1Å; F758-L784 HydrophobicContact CE2-CD2 3.18Å; F758-L784 HydrophobicContact CG-CD2 4.03Å; F758-L784 HydrophobicContact CZ-CD2 3.53Å; F758-C786 HydrophobicContact CB-CB 4.48Å |
| 759 | R | 97.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134 | 171.7 | -165.2 | -172.5 | 174.2 | 171.3 | 3.6 | 109.5 | E687 Y688 S705 E706 A727 W729 S762 | E687-R759 IonicContact OE2-NH1 3.78Å; E687-R759 PolarHBondContact OE2-NH1 2.88Å; Y688-R759 WeakPolarHBondContact OH-CD 3.49Å; Y688-R759 PolarHBondContact OH-NE 2.86Å; Y688-R759 PolarHBondContact OH-NH2 3.18Å; S705-R759 WeakPolarHBondContact O-CD 3.49Å; E706-R759 PolarHBondContact O-N 2.9Å; A727-R759 HydrophobicContact CB-CG 3.97Å; W729-R759 HydrophobicContact CE3-CB 3.95Å; W729-R759 HydrophobicContact CE3-CG 4.44Å; W729-R759 HydrophobicContact CH2-CB 3.92Å; W729-R759 HydrophobicContact CH2-CG 4Å; W729-R759 HydrophobicContact CZ2-CG 4.22Å; W729-R759 HydrophobicContact CZ3-CB 3.57Å; W729-R759 HydrophobicContact CZ3-CG 4.12Å; R759-S762 WeakPolarHBondContact O-CB 3.28Å; R759-S762 PolarHBondContact O-OG 2.81Å |
| 760 | G | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 144.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R728 C786 | R728-G760 PolarHBondContact O-N 3.49Å; G760-C786 CarbonylContact C-O 3.56Å; G760-C786 WeakPolarHBondContact CA-O 3.48Å |
| 761 | G | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C786 Q792 A793 Q794 | G761-C786 PolarHBondContact N-O 2.03Å; G761-Q792 WeakPolarHBondContact CA-O 3.5Å; G761-A793 CarbonylContact O-C 3.59Å; G761-A793 WeakPolarHBondContact O-CA 3.01Å; G761-Q794 PolarHBondContact O-N 3.05Å |
| 762 | S | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 146.5 | -174.9 | 67.5 | 0 | 0 | 0 | 0 | 114 | R759 C786 Q794 | R759-S762 WeakPolarHBondContact O-CB 3.28Å; R759-S762 PolarHBondContact O-OG 2.81Å; S762-C786 PolarHBondContact N-O 3.33Å; S762-C786 PolarHBondContact O-N 2.86Å; S762-Q794 CarbonylContact C-O 3.52Å; S762-Q794 WeakPolarHBondContact CA-O 3.23Å |
| 763 | I | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.9 | 167.7 | -57.3 | 175.8 | 0 | 0 | 0 | 107.5 | L783 L784 V785 A793 Q794 G795 F818 L820 L825 | I763-L783 HydrophobicContact CG2-CB 4.23Å; I763-L783 HydrophobicContact CG2-CD1 4.25Å; I763-L783 HydrophobicContact CG2-CD2 4.32Å; I763-L784 CarbonylContact C-O 3.57Å; I763-L784 WeakPolarHBondContact CA-O 3.49Å; I763-V785 HydrophobicContact CG1-CG1 4.18Å; I763-V785 HydrophobicContact CG1-CG2 4.27Å; I763-V785 HydrophobicContact CG2-CG2 4.12Å; I763-A793 HydrophobicContact CD1-CB 4.11Å; I763-A793 HydrophobicContact CG1-CB 3.66Å; I763-Q794 PolarHBondContact N-O 3.21Å; I763-G795 WeakPolarHBondContact O-CA 3.42Å; I763-F818 HydrophobicContact CB-CB 4.05Å; I763-F818 HydrophobicContact CB-CD2 4.42Å; I763-F818 HydrophobicContact CD1-CB 3.62Å; I763-F818 HydrophobicContact CG1-CB 4.42Å; I763-F818 HydrophobicContact CG2-CB 3.78Å; I763-F818 HydrophobicContact CG2-CD2 3.78Å; I763-F818 HydrophobicContact CG2-CG 3.98Å; I763-L820 HydrophobicContact CD1-CB 4.3Å; I763-L825 HydrophobicContact CD1-CD1 3.69Å |
| 764 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.1 | -173.2 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | L662 H665 E706 F758 L784 | L662-V764 HydrophobicContact CD2-CG1 4.35Å; H665-V764 HydrophobicContact CB-CG1 3.84Å; E706-V764 HydrophobicContact CB-CG2 3.72Å; E706-V764 HydrophobicContact CG-CG2 4.13Å; F758-V764 HydrophobicContact CD1-CG2 3.99Å; F758-V764 HydrophobicContact CE1-CB 4.15Å; F758-V764 HydrophobicContact CE1-CG1 4.12Å; F758-V764 HydrophobicContact CE1-CG2 3.87Å; V764-L784 PolarHBondContact N-O 3.46Å; V764-L784 PolarHBondContact O-N 3.19Å |
| 765 | P | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137.2 | 171.7 | 30.6 | -33.3 | 0 | 0 | 0 | 110.6 | P664 H665 N782 L783 L797 | P664-P765 HydrophobicContact CB-CB 4.17Å; P664-P765 HydrophobicContact CB-CG 4.38Å; H665-P765 HydrophobicContact CB-CG 4.45Å; P765-N782 WeakPolarHBondContact CA-O 3.22Å; P765-L783 HydrophobicContact CB-CD2 4.36Å; P765-L797 HydrophobicContact CB-CB 4.36Å; P765-L797 HydrophobicContact CB-CD1 3.88Å; P765-L797 HydrophobicContact CG-CB 4.37Å; P765-L797 HydrophobicContact CG-CD1 4.05Å |
| 766 | W | 97.1 | Very high | 97 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 22% | 0.223 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 168.7 | 176.5 | 70.5 | -80.9 | 0 | 0 | 0 | 110.5 | S661 L662 L781 N782 V843 | S661-W766 CarbonylContact O-C 3.53Å; S661-W766 WeakPolarHBondContact O-CA 3.33Å; S661-W766 VanDerWaalsContact O-CB 3.3Å; S661-W766 WeakPolarHBondContact O-CB 3.2Å; L662-W766 HydrophobicContact CD2-CB 4.45Å; W766-L781 CarbonylContact O-C 3.48Å; W766-N782 HydrophobicContact CD2-CB 3.88Å; W766-N782 HydrophobicContact CG-CB 4.21Å; W766-N782 HydrophobicContact CH2-CB 4.34Å; W766-N782 WeakPolarHBondContact CH2-ND2 3.42Å; W766-N782 HydrophobicContact CZ2-CB 3.64Å; W766-N782 PolarHBondContact N-O 3.26Å; W766-N782 PolarHBondContact O-N 2.79Å; W766-V843 HydrophobicContact CZ2-CG2 4.45Å |
| 767 | Q | 96.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 163.3 | 176.9 | 63.8 | -175 | 45.6 | 0 | 0 | 111.1 | S661 P664 A776 L781 | S661-Q767 VanDerWaalsContact CA-O 3.24Å; S661-Q767 WeakPolarHBondContact CA-O 3.31Å; S661-Q767 WeakPolarHBondContact CB-O 3.07Å; S661-Q767 PolarHBondContact O-N 3.32Å; P664-Q767 HydrophobicContact CG-CB 4.31Å; P664-Q767 HydrophobicContact CG-CG 3.86Å; P664-Q767 VanDerWaalsContact CG-OE1 3.3Å; Q767-A776 PolarHBondContact NE2-O 2.64Å; Q767-A776 VanDerWaalsContact NE2-O 3.11Å; Q767-L781 HydrophobicContact CB-CD2 4.06Å |
| 768 | K | 96.8 | Very high | 96.6 | Very high | 138 Ų | 138 | 35.5 Ų | 35.5 | 60% | 0.6 | 17% | 0.172 | S | C | * | . | trans | -63.4 | 129.8 | 167.6 | -172.7 | 179.9 | 178.8 | -177.9 | 0 | 108.6 | N779 | K768-N779 HydrophobicContact CB-CB 4.14Å; K768-N779 PolarHBondContact O-ND2 3.01Å | ||
| 769 | P | 97.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | trans | -76.3 | 166.3 | -178.6 | 33.6 | -35.3 | 0 | 0 | 0 | 111.1 | M657 S661 | M657-P769 HydrophobicContact CB-CB 4.29Å; M657-P769 HydrophobicContact CB-CG 4.08Å; M657-P769 WeakPolarHBondContact O-CB 3.12Å; M657-P769 WeakPolarHBondContact O-CG 3.2Å; M657-P769 HydrophobicContact SD-CB 3.75Å; M657-P769 HydrophobicContact SD-CG 3.98Å; S661-P769 VanDerWaalsContact OG-CD 3.28Å; S661-P769 WeakPolarHBondContact OG-CD 3.49Å; S661-P769 VanDerWaalsContact OG-CG 3.31Å; S661-P769 WeakPolarHBondContact OG-CG 3.46Å | ||
| 770 | A | 97 | Very high | 96.4 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | trans | -149.4 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y660 S772 L775 A776 | Y660-A770 WeakPolarHBondContact CD1-O 2.98Å; A770-S772 PolarHBondContact O-N 2.91Å; A770-S772 VanDerWaalsContact O-N 3.07Å; A770-L775 HydrophobicContact CB-CB 3.58Å; A770-A776 HydrophobicContact CB-CB 3.91Å | ||
| 771 | N | 95.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -71 | 1 | -174.3 | -69.3 | 10.7 | 0 | 0 | 0 | 115.2 | R347 P352 Q353 M657 | R347-N771 PolarHBondContact NH1-O 3.42Å; P352-N771 VanDerWaalsContact CA-O 3.28Å; P352-N771 WeakPolarHBondContact CA-O 3.33Å; Q353-N771 PolarHBondContact N-O 3.31Å; M657-N771 WeakPolarHBondContact CE-OD1 3.23Å |
| 772 | S | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -158.9 | 159.2 | 170.6 | 62.4 | 0 | 0 | 0 | 0 | 109 | A770 F774 L775 A776 | A770-S772 PolarHBondContact O-N 2.91Å; A770-S772 VanDerWaalsContact O-N 3.07Å; S772-F774 PolarHBondContact O-N 2.81Å; S772-L775 PolarHBondContact O-N 2.78Å; S772-L775 WeakPolarHBondContact OG-CG 3.5Å; S772-L775 PolarHBondContact OG-N 3.03Å; S772-A776 WeakPolarHBondContact O-CB 3.41Å; S772-A776 PolarHBondContact O-N 3.48Å |
| 773 | T | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -37.8 | 174.1 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | Y321 W322 D354 Y660 L663 L775 A776 R777 | Y321-T773 HydrophobicContact CD1-CG2 3.82Å; Y321-T773 HydrophobicContact CE1-CG2 3.86Å; W322-T773 WeakPolarHBondContact CA-OG1 3.46Å; D354-T773 VanDerWaalsContact OD1-CB 3.26Å; D354-T773 WeakPolarHBondContact OD1-CB 3.3Å; D354-T773 WeakPolarHBondContact OD1-CG2 3.48Å; D354-T773 PolarHBondContact OD1-N 3.03Å; D354-T773 PolarHBondContact OD1-OG1 3.02Å; D354-T773 WeakPolarHBondContact OD2-CG2 3.45Å; D354-T773 PolarHBondContact OD2-N 2.94Å; Y660-T773 HydrophobicContact CE1-CG2 4.29Å; L663-T773 HydrophobicContact CD1-CG2 3.65Å; T773-L775 VanDerWaalsContact C-N 3.35Å; T773-L775 PolarHBondContact O-N 3.47Å; T773-A776 PolarHBondContact O-N 2.85Å; T773-R777 WeakPolarHBondContact O-CB 3.43Å; T773-R777 WeakPolarHBondContact O-CG 3.47Å; T773-R777 PolarHBondContact O-N 3.14Å |
| 774 | F | 95.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 176.5 | 173.9 | -104.2 | 0 | 0 | 0 | 113.1 | N391 S772 K778 | N391-F774 HydrophobicContact CB-CB 3.79Å; N391-F774 HydrophobicContact CB-CD1 4Å; N391-F774 HydrophobicContact CB-CD2 4.41Å; N391-F774 HydrophobicContact CB-CG 3.82Å; N391-F774 WeakPolarHBondContact ND2-CB 3.37Å; S772-F774 PolarHBondContact O-N 2.81Å; F774-K778 VanDerWaalsContact CE1-NZ 3.29Å |
| 775 | L | 95.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.3 | -39.5 | 175.9 | -67.4 | 176.1 | 0 | 0 | 0 | 111.3 | A770 S772 T773 R777 K778 | A770-L775 HydrophobicContact CB-CB 3.58Å; S772-L775 PolarHBondContact O-N 2.78Å; S772-L775 WeakPolarHBondContact OG-CG 3.5Å; S772-L775 PolarHBondContact OG-N 3.03Å; T773-L775 VanDerWaalsContact C-N 3.35Å; T773-L775 PolarHBondContact O-N 3.47Å; L775-R777 VanDerWaalsContact C-N 3.33Å; L775-R777 PolarHBondContact O-N 3.03Å; L775-K778 WeakPolarHBondContact O-CB 3.49Å; L775-K778 PolarHBondContact O-N 3.29Å |
| 776 | A | 95.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q767 A770 S772 T773 K778 N779 | Q767-A776 PolarHBondContact NE2-O 2.64Å; Q767-A776 VanDerWaalsContact NE2-O 3.11Å; A770-A776 HydrophobicContact CB-CB 3.91Å; S772-A776 WeakPolarHBondContact O-CB 3.41Å; S772-A776 PolarHBondContact O-N 3.48Å; T773-A776 PolarHBondContact O-N 2.85Å; A776-K778 PolarHBondContact O-N 2.79Å; A776-K778 VanDerWaalsContact O-N 3.15Å; A776-N779 VanDerWaalsContact O-CB 3.29Å; A776-N779 WeakPolarHBondContact O-CB 3.48Å; A776-N779 PolarHBondContact O-N 3.27Å; A776-N779 PolarHBondContact O-ND2 3.5Å |
| 777 | R | 93.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.7 | 176.9 | -70.8 | 170.8 | 68.5 | 72.1 | 4.3 | 114.4 | Y321 T773 L775 N779 W799 D800 D801 | Y321-R777 HydrophobicContact CD1-CG 4.17Å; Y321-R777 HydrophobicContact CE1-CG 3.81Å; Y321-R777 VanDerWaalsContact CE2-NH1 3.33Å; T773-R777 WeakPolarHBondContact O-CB 3.43Å; T773-R777 WeakPolarHBondContact O-CG 3.47Å; T773-R777 PolarHBondContact O-N 3.14Å; L775-R777 VanDerWaalsContact C-N 3.33Å; L775-R777 PolarHBondContact O-N 3.03Å; R777-N779 VanDerWaalsContact C-N 3.32Å; R777-W799 HydrophobicContact CB-CZ2 4.37Å; R777-W799 HydrophobicContact CG-CH2 4.13Å; R777-W799 HydrophobicContact CG-CZ2 3.94Å; R777-W799 VanDerWaalsContact NH1-CH2 3.34Å; R777-D800 PolarHBondContact NH2-O 3.03Å; R777-D801 PolarHBondContact NH2-O 2.82Å |
| 778 | K | 93.2 | Very high | 96.3 | Very high | 138 Ų | 138 | 36.8 Ų | 36.8 | 60% | 0.6 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.4 | 171.1 | -61.3 | 177.6 | -176 | 177.6 | 0 | 112.4 | F774 L775 A776 | F774-K778 VanDerWaalsContact CE1-NZ 3.29Å; L775-K778 WeakPolarHBondContact O-CB 3.49Å; L775-K778 PolarHBondContact O-N 3.29Å; A776-K778 PolarHBondContact O-N 2.79Å; A776-K778 VanDerWaalsContact O-N 3.15Å |
| 779 | N | 95.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -79 | 148.4 | 175.9 | -62.4 | -45.1 | 0 | 0 | 0 | 110.2 | K768 A776 R777 | K768-N779 HydrophobicContact CB-CB 4.14Å; K768-N779 PolarHBondContact O-ND2 3.01Å; A776-N779 VanDerWaalsContact O-CB 3.29Å; A776-N779 WeakPolarHBondContact O-CB 3.48Å; A776-N779 PolarHBondContact O-N 3.27Å; A776-N779 PolarHBondContact O-ND2 3.5Å; R777-N779 VanDerWaalsContact C-N 3.32Å |
| 780 | P | 95.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 152.9 | 173.7 | 27 | -34.3 | 0 | 0 | 0 | 111.5 | N840 | P780-N840 HydrophobicContact CB-CB 3.57Å; P780-N840 HydrophobicContact CG-CB 3.92Å |
| 781 | L | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 155.4 | 171.6 | -63 | 179.5 | 0 | 0 | 0 | 109.8 | P664 W766 Q767 L797 W799 T837 M838 I839 N840 | P664-L781 HydrophobicContact CB-CD2 4.14Å; P664-L781 HydrophobicContact CG-CD2 3.75Å; W766-L781 CarbonylContact O-C 3.48Å; Q767-L781 HydrophobicContact CB-CD2 4.06Å; L781-L797 HydrophobicContact CD1-CD1 4.05Å; L781-L797 HydrophobicContact CD1-CD2 3.45Å; L781-L797 VanDerWaalsContact CD1-CD2 3.45Å; L781-L797 HydrophobicContact CD1-CG 4.35Å; L781-W799 HydrophobicContact CD1-CD2 4.27Å; L781-W799 HydrophobicContact CD1-CE3 4.35Å; L781-W799 HydrophobicContact CD2-CH2 4.07Å; L781-W799 HydrophobicContact CD2-CZ2 4.44Å; L781-W799 HydrophobicContact CD2-CZ3 4.22Å; L781-T837 HydrophobicContact CD1-CG2 3.83Å; L781-T837 HydrophobicContact CG-CG2 4.31Å; L781-M838 PolarHBondContact N-O 3.19Å; L781-I839 CarbonylContact O-C 3.55Å; L781-I839 VanDerWaalsContact O-CA 3.25Å; L781-I839 WeakPolarHBondContact O-CA 3.43Å; L781-N840 PolarHBondContact O-N 3.31Å |
| 782 | N | 97.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.5 | -178.4 | -57.3 | -46.9 | 0 | 0 | 0 | 109.1 | P765 W766 Q841 | P765-N782 WeakPolarHBondContact CA-O 3.22Å; W766-N782 HydrophobicContact CD2-CB 3.88Å; W766-N782 HydrophobicContact CG-CB 4.21Å; W766-N782 HydrophobicContact CH2-CB 4.34Å; W766-N782 WeakPolarHBondContact CH2-ND2 3.42Å; W766-N782 HydrophobicContact CZ2-CB 3.64Å; W766-N782 PolarHBondContact N-O 3.26Å; W766-N782 PolarHBondContact O-N 2.79Å; N782-Q841 CarbonylContact C-O 3.6Å; N782-Q841 WeakPolarHBondContact CA-O 3.32Å; N782-Q841 HydrophobicContact CB-CB 4.02Å; N782-Q841 WeakPolarHBondContact CB-O 3.4Å; N782-Q841 WeakPolarHBondContact OD1-CB 3.46Å; N782-Q841 PolarHBondContact OD1-N 3.45Å; N782-Q841 VanDerWaalsContact OD1-N 3.07Å |
| 783 | L | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.3 | 175.8 | -56.8 | -178.2 | 0 | 0 | 0 | 110.6 | I763 P765 V785 F818 M827 I839 Q841 V842 V843 | I763-L783 HydrophobicContact CG2-CB 4.23Å; I763-L783 HydrophobicContact CG2-CD1 4.25Å; I763-L783 HydrophobicContact CG2-CD2 4.32Å; P765-L783 HydrophobicContact CB-CD2 4.36Å; L783-V785 HydrophobicContact CB-CG2 4.44Å; L783-F818 HydrophobicContact CD1-CD1 4Å; L783-F818 HydrophobicContact CD1-CE1 3.97Å; L783-F818 HydrophobicContact CD1-CG 4.28Å; L783-F818 HydrophobicContact CD1-CZ 4.29Å; L783-F818 HydrophobicContact CD2-CD2 4.06Å; L783-F818 HydrophobicContact CD2-CE1 4.09Å; L783-F818 HydrophobicContact CD2-CE2 3.54Å; L783-F818 HydrophobicContact CD2-CZ 3.55Å; L783-M827 HydrophobicContact CD1-CG 4.37Å; L783-M827 HydrophobicContact CD1-SD 3.99Å; L783-I839 HydrophobicContact CD1-CD1 4.13Å; L783-I839 HydrophobicContact CD1-CG2 4.31Å; L783-I839 HydrophobicContact CD2-CD1 4.28Å; L783-I839 HydrophobicContact CG-CD1 4.27Å; L783-I839 HydrophobicContact CG-CG2 3.98Å; L783-Q841 PolarHBondContact N-O 2.81Å; L783-V842 HydrophobicContact CB-CG2 4.25Å; L783-V842 HydrophobicContact CD1-CG2 4.32Å; L783-V843 PolarHBondContact O-N 2.8Å |
| 784 | L | 97.5 | Very high | 95.9 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.7 | 162.9 | -178.2 | 67.1 | 0 | 0 | 0 | 108 | F758 I763 V764 V843 L845 | F758-L784 HydrophobicContact CD1-CD2 4.32Å; F758-L784 HydrophobicContact CD2-CD2 3.47Å; F758-L784 VanDerWaalsContact CD2-CD2 3.47Å; F758-L784 HydrophobicContact CE1-CD2 4.1Å; F758-L784 HydrophobicContact CE2-CD2 3.18Å; F758-L784 HydrophobicContact CG-CD2 4.03Å; F758-L784 HydrophobicContact CZ-CD2 3.53Å; I763-L784 CarbonylContact C-O 3.57Å; I763-L784 WeakPolarHBondContact CA-O 3.49Å; V764-L784 PolarHBondContact N-O 3.46Å; V764-L784 PolarHBondContact O-N 3.19Å; L784-V843 CarbonylContact C-O 3.6Å; L784-V843 WeakPolarHBondContact CA-O 3.5Å; L784-V843 HydrophobicContact CD1-CB 4.03Å; L784-V843 HydrophobicContact CD1-CG1 3.94Å; L784-L845 HydrophobicContact CD1-CD1 4.15Å; L784-L845 HydrophobicContact CD1-CD2 4.02Å; L784-L845 HydrophobicContact CD1-CG 3.91Å |
| 785 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.8 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | I763 L783 P787 A793 L820 L825 V842 V843 M844 L845 | I763-V785 HydrophobicContact CG1-CG1 4.18Å; I763-V785 HydrophobicContact CG1-CG2 4.27Å; I763-V785 HydrophobicContact CG2-CG2 4.12Å; L783-V785 HydrophobicContact CB-CG2 4.44Å; V785-P787 HydrophobicContact CG1-CG 4.41Å; V785-P787 WeakPolarHBondContact O-CD 3.38Å; V785-A793 HydrophobicContact CG1-CB 4.27Å; V785-L820 HydrophobicContact CG1-CB 4.44Å; V785-L820 HydrophobicContact CG1-CD2 3.75Å; V785-L825 HydrophobicContact CG2-CD2 4.23Å; V785-V842 HydrophobicContact CG2-CG1 3.91Å; V785-V843 PolarHBondContact N-O 2.92Å; V785-M844 HydrophobicContact CB-CB 4.28Å; V785-M844 HydrophobicContact CB-CG 4.21Å; V785-M844 HydrophobicContact CG1-CE 4.08Å; V785-M844 HydrophobicContact CG1-CG 4.12Å; V785-M844 WeakPolarHBondContact O-CA 3.5Å; V785-L845 PolarHBondContact O-N 3.38Å |
| 786 | C | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 89.1 | -179.3 | -65.3 | 0 | 0 | 0 | 0 | 108.6 | F730 F758 G760 G761 S762 | F730-C786 HydrophobicContact CD2-CB 4Å; F730-C786 HydrophobicContact CE2-CB 3.99Å; F758-C786 HydrophobicContact CB-CB 4.48Å; G760-C786 CarbonylContact C-O 3.56Å; G760-C786 WeakPolarHBondContact CA-O 3.48Å; G761-C786 PolarHBondContact N-O 2.03Å; S762-C786 PolarHBondContact N-O 3.33Å; S762-C786 PolarHBondContact O-N 2.86Å |
| 787 | P | 96.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | trans | -64.6 | 141.1 | 179.8 | -17.2 | 30.6 | 0 | 0 | 0 | 111.8 | R728 V785 Q792 L820 M844 L845 | R728-P787 WeakPolarHBondContact CD-O 3.43Å; R728-P787 PolarHBondContact NH1-O 3.32Å; R728-P787 VanDerWaalsContact NH1-O 3.15Å; V785-P787 HydrophobicContact CG1-CG 4.41Å; V785-P787 WeakPolarHBondContact O-CD 3.38Å; P787-Q792 CarbonylContact C-O 3.45Å; P787-Q792 WeakPolarHBondContact CA-O 3.35Å; P787-L820 HydrophobicContact CB-CD2 4.02Å; P787-L820 HydrophobicContact CG-CD2 3.7Å; P787-M844 HydrophobicContact CG-CG 3.93Å; P787-M844 HydrophobicContact CG-SD 4.22Å; P787-L845 VanDerWaalsContact CD-O 3.24Å; P787-L845 WeakPolarHBondContact CD-O 3.12Å | ||
| 788 | D | 95.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | trans | -71.5 | -169.6 | 168.8 | 67.3 | 13.5 | 0 | 0 | 0 | 111.9 | R728 A790 G791 Q792 | R728-D788 PolarHBondContact NH1-O 2.82Å; D788-A790 PolarHBondContact O-N 2.85Å; D788-A790 VanDerWaalsContact OD1-CA 3.31Å; D788-A790 WeakPolarHBondContact OD1-CA 3.46Å; D788-A790 WeakPolarHBondContact OD1-CB 3.39Å; D788-A790 PolarHBondContact OD1-N 2.89Å; D788-G791 PolarHBondContact O-N 3.36Å; D788-G791 PolarHBondContact OD1-N 2.98Å; D788-Q792 PolarHBondContact N-O 3.03Å; D788-Q792 PolarHBondContact OD1-N 3.21Å | ||
| 789 | Q | 91.9 | Very high | 96.6 | Very high | 143 Ų | 143 | 34.4 Ų | 34.4 | 67% | 0.668 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.4 | 176.5 | -71.5 | 84 | -12.4 | 0 | 0 | 113.5 | G791 | Q789-G791 VanDerWaalsContact C-N 3.31Š|
| 790 | A | 93.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 32.1 Ų | 32.1 | 60% | 0.595 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D788 Q792 | D788-A790 PolarHBondContact O-N 2.85Å; D788-A790 VanDerWaalsContact OD1-CA 3.31Å; D788-A790 WeakPolarHBondContact OD1-CA 3.46Å; D788-A790 WeakPolarHBondContact OD1-CB 3.39Å; D788-A790 PolarHBondContact OD1-N 2.89Å; A790-Q792 VanDerWaalsContact C-N 3.28Å; A790-Q792 HydrophobicContact CB-CG 4.24Å |
| 791 | G | 93.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 32.5 Ų | 32.5 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 73.8 | 19.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D788 Q789 L820 | D788-G791 PolarHBondContact O-N 3.36Å; D788-G791 PolarHBondContact OD1-N 2.98Å; Q789-G791 VanDerWaalsContact C-N 3.31Å; G791-L820 WeakPolarHBondContact O-CD2 3.43Å |
| 792 | Q | 97.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 32.4 Ų | 32.4 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | trans | -102.2 | 151 | -179.5 | -63.1 | 179.5 | -9.9 | 0 | 0 | 111 | G761 P787 D788 A790 L820 N821 | G761-Q792 WeakPolarHBondContact CA-O 3.5Å; P787-Q792 CarbonylContact C-O 3.45Å; P787-Q792 WeakPolarHBondContact CA-O 3.35Å; D788-Q792 PolarHBondContact N-O 3.03Å; D788-Q792 PolarHBondContact OD1-N 3.21Å; A790-Q792 VanDerWaalsContact C-N 3.28Å; A790-Q792 HydrophobicContact CB-CG 4.24Å; Q792-L820 VanDerWaalsContact CA-O 3.29Å; Q792-L820 WeakPolarHBondContact CA-O 3.15Å; Q792-N821 PolarHBondContact NE2-OD1 2.8Å | ||
| 793 | A | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 153.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G761 I763 V785 S819 L820 | G761-A793 CarbonylContact O-C 3.59Å; G761-A793 WeakPolarHBondContact O-CA 3.01Å; I763-A793 HydrophobicContact CD1-CB 4.11Å; I763-A793 HydrophobicContact CG1-CB 3.66Å; V785-A793 HydrophobicContact CG1-CB 4.27Å; A793-S819 CarbonylContact O-C 3.48Å; A793-S819 WeakPolarHBondContact O-CA 3.4Å; A793-L820 HydrophobicContact CB-CB 4.05Å; A793-L820 HydrophobicContact CB-CD2 4.36Å; A793-L820 PolarHBondContact N-O 3.4Å; A793-L820 PolarHBondContact O-N 3.28Å |
| 794 | Q | 98.5 | Very high | 96.4 | Very high | 144 Ų | 144 | 35.9 Ų | 35.9 | 67% | 0.673 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157 | 176.2 | 65.4 | -178.8 | 29 | 0 | 0 | 111.7 | G761 S762 I763 F818 | G761-Q794 PolarHBondContact O-N 3.05Å; S762-Q794 CarbonylContact C-O 3.52Å; S762-Q794 WeakPolarHBondContact CA-O 3.23Å; I763-Q794 PolarHBondContact N-O 3.21Å; Q794-F818 VanDerWaalsContact CA-O 3.3Å; Q794-F818 WeakPolarHBondContact CA-O 3.29Å |
| 795 | G | 98.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -178.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I763 F818 | I763-G795 WeakPolarHBondContact O-CA 3.42Å; G795-F818 PolarHBondContact N-O 3.42Å; G795-F818 PolarHBondContact O-N 2.91Å |
| 796 | N | 97.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 165 | 176.8 | 47.5 | 73 | 0 | 0 | 0 | 110.8 | T668 W672 V816 | T668-N796 WeakPolarHBondContact CG2-OD1 3.48Å; W672-N796 PolarHBondContact NE1-OD1 2.88Å; N796-V816 CarbonylContact C-O 3.54Å; N796-V816 WeakPolarHBondContact CA-O 3.42Å; N796-V816 WeakPolarHBondContact CB-O 3.47Å |
| 797 | L | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.4 | 176.5 | 167.8 | 69.1 | 0 | 0 | 0 | 108.4 | P664 P765 L781 W799 L815 V816 F818 | P664-L797 HydrophobicContact CB-CD1 4.3Å; P765-L797 HydrophobicContact CB-CB 4.36Å; P765-L797 HydrophobicContact CB-CD1 3.88Å; P765-L797 HydrophobicContact CG-CB 4.37Å; P765-L797 HydrophobicContact CG-CD1 4.05Å; L781-L797 HydrophobicContact CD1-CD1 4.05Å; L781-L797 HydrophobicContact CD1-CD2 3.45Å; L781-L797 VanDerWaalsContact CD1-CD2 3.45Å; L781-L797 HydrophobicContact CD1-CG 4.35Å; L797-W799 HydrophobicContact CD1-CE3 4.12Å; L797-L815 WeakPolarHBondContact O-CA 3.48Å; L797-V816 PolarHBondContact N-O 3.49Å; L797-V816 PolarHBondContact O-N 2.92Å; L797-F818 HydrophobicContact CB-CE2 3.66Å; L797-F818 HydrophobicContact CB-CZ 3.63Å; L797-F818 HydrophobicContact CD2-CZ 4.31Å |
| 798 | Y | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.3 | 163.2 | 171 | -95.9 | 0 | 0 | 0 | 109.8 | L318 Y667 T668 F671 D800 V808 Y813 | L318-Y798 HydrophobicContact CD2-CE1 4.01Å; Y667-Y798 AromaticContact CD1-CD1 3.84Å; Y667-Y798 HydrophobicContact CD1-CD1 3.84Å; Y667-Y798 HydrophobicContact CD1-CE1 4.21Å; Y667-Y798 AromaticContact CE1-CD1 3.56Å; Y667-Y798 HydrophobicContact CE1-CD1 3.56Å; Y667-Y798 AromaticContact CE1-CE1 3.45Å; Y667-Y798 HydrophobicContact CE1-CE1 3.45Å; Y667-Y798 VanDerWaalsContact CE1-CE1 3.45Å; Y667-Y798 AromaticContact CZ-CE1 3.72Å; T668-Y798 PolarHBondContact OG1-N 3.34Å; F671-Y798 HydrophobicContact CB-CD1 3.58Å; F671-Y798 HydrophobicContact CB-CD2 4.17Å; F671-Y798 HydrophobicContact CB-CE1 4.14Å; F671-Y798 HydrophobicContact CB-CG 3.6Å; F671-Y798 AromaticContact CD1-CD2 3.79Å; F671-Y798 HydrophobicContact CD1-CD2 3.79Å; F671-Y798 AromaticContact CD1-CG 3.79Å; F671-Y798 HydrophobicContact CD1-CG 3.79Å; F671-Y798 HydrophobicContact CD2-CD1 4.02Å; F671-Y798 AromaticContact CD2-CD2 3.29Å; F671-Y798 HydrophobicContact CD2-CD2 3.29Å; F671-Y798 HydrophobicContact CD2-CE1 4.04Å; F671-Y798 AromaticContact CD2-CE2 3.28Å; F671-Y798 HydrophobicContact CD2-CE2 3.28Å; F671-Y798 AromaticContact CD2-CG 3.66Å; F671-Y798 HydrophobicContact CD2-CG 3.66Å; F671-Y798 AromaticContact CD2-CZ 3.69Å; F671-Y798 AromaticContact CE1-CD2 3.93Å; F671-Y798 HydrophobicContact CE1-CD2 3.93Å; F671-Y798 HydrophobicContact CE1-CG 4.37Å; F671-Y798 AromaticContact CE2-CD2 3.44Å; F671-Y798 HydrophobicContact CE2-CD2 3.44Å; F671-Y798 VanDerWaalsContact CE2-CD2 3.44Å; F671-Y798 AromaticContact CE2-CE2 3.37Å; F671-Y798 HydrophobicContact CE2-CE2 3.37Å; F671-Y798 HydrophobicContact CE2-CG 4.26Å; F671-Y798 AromaticContact CG-CD1 3.83Å; F671-Y798 HydrophobicContact CG-CD1 3.83Å; F671-Y798 AromaticContact CG-CD2 3.45Å; F671-Y798 HydrophobicContact CG-CD2 3.45Å; F671-Y798 VanDerWaalsContact CG-CD2 3.45Å; F671-Y798 HydrophobicContact CG-CE1 4.3Å; F671-Y798 AromaticContact CG-CE2 3.94Å; F671-Y798 HydrophobicContact CG-CE2 3.94Å; F671-Y798 AromaticContact CG-CG 3.38Å; F671-Y798 HydrophobicContact CG-CG 3.38Å; F671-Y798 AromaticContact CZ-CD2 3.76Å; F671-Y798 HydrophobicContact CZ-CD2 3.76Å; F671-Y798 HydrophobicContact CZ-CE2 4.1Å; Y798-D800 HydrophobicContact CE1-CB 4.43Å; Y798-D800 WeakPolarHBondContact CE1-OD2 3.34Å; Y798-D800 PolarHBondContact OH-OD2 3.2Å; Y798-V808 HydrophobicContact CE2-CG2 4.18Å; Y798-V808 VanDerWaalsContact OH-CG2 3.26Å; Y798-V808 WeakPolarHBondContact OH-CG2 3.23Å; Y798-Y813 AromaticContact CD2-CD2 3.73Å; Y798-Y813 HydrophobicContact CD2-CD2 3.73Å; Y798-Y813 HydrophobicContact CD2-CE2 4.38Å; Y798-Y813 HydrophobicContact CD2-CG 4.28Å; Y798-Y813 HydrophobicContact CE2-CD1 4.4Å; Y798-Y813 AromaticContact CE2-CD2 3.48Å; Y798-Y813 HydrophobicContact CE2-CD2 3.48Å; Y798-Y813 VanDerWaalsContact CE2-CD2 3.48Å; Y798-Y813 HydrophobicContact CE2-CE2 4.25Å; Y798-Y813 AromaticContact CE2-CG 3.57Å; Y798-Y813 HydrophobicContact CE2-CG 3.57Å |
| 799 | W | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 131.9 | 178.5 | -156.8 | -96.2 | 0 | 0 | 0 | 113.3 | Y321 P664 Y667 R777 L781 L797 Y813 T814 Y834 T837 | Y321-W799 HydrophobicContact CE2-CE3 4.49Å; Y321-W799 AromaticContact CE2-CH2 3.88Å; Y321-W799 HydrophobicContact CE2-CH2 3.88Å; Y321-W799 AromaticContact CE2-CZ3 3.69Å; Y321-W799 HydrophobicContact CE2-CZ3 3.69Å; Y321-W799 AromaticContact CZ-CH2 3.78Å; Y321-W799 AromaticContact CZ-CZ3 3.94Å; Y321-W799 WeakPolarHBondContact OH-CH2 3.35Å; P664-W799 HydrophobicContact CB-CE3 4.5Å; P664-W799 HydrophobicContact CB-CZ3 3.8Å; P664-W799 HydrophobicContact CG-CH2 4.21Å; P664-W799 HydrophobicContact CG-CZ3 3.88Å; Y667-W799 HydrophobicContact CD1-CE3 4.41Å; R777-W799 HydrophobicContact CB-CZ2 4.37Å; R777-W799 HydrophobicContact CG-CH2 4.13Å; R777-W799 HydrophobicContact CG-CZ2 3.94Å; R777-W799 VanDerWaalsContact NH1-CH2 3.34Å; L781-W799 HydrophobicContact CD1-CD2 4.27Å; L781-W799 HydrophobicContact CD1-CE3 4.35Å; L781-W799 HydrophobicContact CD2-CH2 4.07Å; L781-W799 HydrophobicContact CD2-CZ2 4.44Å; L781-W799 HydrophobicContact CD2-CZ3 4.22Å; L797-W799 HydrophobicContact CD1-CE3 4.12Å; W799-Y813 CarbonylContact O-C 3.56Å; W799-Y813 WeakPolarHBondContact O-CA 3.37Å; W799-T814 PolarHBondContact N-O 3.23Å; W799-T814 PolarHBondContact O-N 3.25Å; W799-Y834 AromaticContact CD1-CD1 3.86Å; W799-Y834 AromaticContact CD1-CE1 3.7Å; W799-T837 HydrophobicContact CD2-CG2 4.11Å; W799-T837 HydrophobicContact CG-CG2 3.79Å; W799-T837 HydrophobicContact CZ2-CG2 4.38Å |
| 800 | D | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -138.5 | -162.6 | 175 | 60.1 | 8.3 | 0 | 0 | 0 | 109.4 | R550 Y667 R777 Y798 G802 A807 Y834 | R550-D800 IonicContact CZ-OD2 3.98Å; R550-D800 IonicContact NH1-OD1 2.93Å; R550-D800 IonicContact NH1-OD2 3.88Å; R550-D800 PolarHBondContact NH1-OD2 3.4Å; R550-D800 IonicContact NH2-OD2 2.95Å; R550-D800 PolarHBondContact NH2-OD2 2.99Å; Y667-D800 WeakPolarHBondContact CE1-OD1 3.45Å; Y667-D800 PolarHBondContact OH-OD1 2.84Å; Y667-D800 PolarHBondContact OH-OD2 3.26Å; R777-D800 PolarHBondContact NH2-O 3.03Å; Y798-D800 HydrophobicContact CE1-CB 4.43Å; Y798-D800 WeakPolarHBondContact CE1-OD2 3.34Å; Y798-D800 PolarHBondContact OH-OD2 3.2Å; D800-G802 PolarHBondContact O-N 3.43Å; D800-G802 WeakPolarHBondContact OD1-CA 3.44Å; D800-G802 PolarHBondContact OD1-N 2.92Å; D800-A807 HydrophobicContact CB-CB 4.21Å; D800-Y834 VanDerWaalsContact C-CE1 3.45Å; D800-Y834 VanDerWaalsContact O-CE1 3.24Å; D800-Y834 WeakPolarHBondContact O-CE1 3.34Å | ||
| 801 | D | 95.2 | Very high | 96.4 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | trans | -69.3 | -19.6 | 175.6 | 66.5 | 10.6 | 0 | 0 | 0 | 114.1 | R777 E803 N804 Y834 | R777-D801 PolarHBondContact NH2-O 2.82Å; D801-E803 PolarHBondContact OD1-N 2.68Å; D801-N804 WeakPolarHBondContact OD1-CB 3.46Å; D801-N804 PolarHBondContact OD1-N 3.38Å; D801-N804 WeakPolarHBondContact OD2-CB 3.49Å; D801-Y834 HydrophobicContact CB-CE2 3.91Å | ||
| 802 | G | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 85.7 | 1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | P320 Y321 D800 | P320-G802 CarbonylContact C-O 3.6Å; P320-G802 WeakPolarHBondContact CA-O 3.43Å; Y321-G802 PolarHBondContact N-O 3.03Å; D800-G802 PolarHBondContact O-N 3.43Å; D800-G802 WeakPolarHBondContact OD1-CA 3.44Å; D800-G802 PolarHBondContact OD1-N 2.92Å |
| 803 | E | 96.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -130.4 | -38.6 | -171.9 | -67.5 | -81.3 | -178.7 | 0 | 0 | 112 | K549 R550 D801 E805 | K549-E803 CarbonylContact C-O 3.59Å; K549-E803 VanDerWaalsContact CA-O 3.31Å; K549-E803 WeakPolarHBondContact CA-O 3.41Å; R550-E803 PolarHBondContact N-O 3.49Å; D801-E803 PolarHBondContact OD1-N 2.68Å; E803-E805 PolarHBondContact O-N 2.84Å |
| 804 | N | 96.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 40 Ų | 40 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 123.9 | -171 | 178.5 | 11.1 | 0 | 0 | 0 | 112.2 | G548 R550 D801 D806 A807 | G548-N804 WeakPolarHBondContact O-CA 3.48Å; G548-N804 PolarHBondContact O-OD1 2.92Å; R550-N804 PolarHBondContact NE-O 2.85Å; R550-N804 VanDerWaalsContact NE-O 3.07Å; R550-N804 PolarHBondContact NH2-O 3.03Å; D801-N804 WeakPolarHBondContact OD1-CB 3.46Å; D801-N804 PolarHBondContact OD1-N 3.38Å; D801-N804 WeakPolarHBondContact OD2-CB 3.49Å; N804-D806 VanDerWaalsContact C-N 3.34Å; N804-D806 PolarHBondContact O-N 2.87Å; N804-D806 PolarHBondContact OD1-N 3.07Å; N804-D806 VanDerWaalsContact OD1-N 3.09Å; N804-A807 HydrophobicContact CB-CB 4.12Å; N804-A807 PolarHBondContact O-N 3.4Å |
| 805 | E | 94.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 34 Ų | 34 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -47.8 | 178.3 | -174.5 | -178.7 | 171.2 | 0 | 0 | 112 | K543 G548 E803 A807 | K543-E805 VanDerWaalsContact CD-OE1 3.23Å; K543-E805 WeakPolarHBondContact CD-OE1 3.36Å; K543-E805 WeakPolarHBondContact CE-OE1 3.48Å; K543-E805 IonicContact NZ-OE1 2.64Å; K543-E805 PolarHBondContact NZ-OE1 3.41Å; G548-E805 PolarHBondContact O-N 3.39Å; E803-E805 PolarHBondContact O-N 2.84Å; E805-A807 PolarHBondContact O-N 2.96Å |
| 806 | D | 94.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 34% | 0.342 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.2 | -170.4 | -66.4 | -42.7 | 0 | 0 | 0 | 113 | N804 V808 I809 D810 | N804-D806 VanDerWaalsContact C-N 3.34Å; N804-D806 PolarHBondContact O-N 2.87Å; N804-D806 PolarHBondContact OD1-N 3.07Å; N804-D806 VanDerWaalsContact OD1-N 3.09Å; D806-V808 PolarHBondContact O-N 2.99Å; D806-I809 PolarHBondContact O-N 3.34Å; D806-D810 WeakPolarHBondContact O-CB 3.3Å; D806-D810 PolarHBondContact O-N 2.95Å |
| 807 | A | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | D800 N804 E805 G811 H812 | D800-A807 HydrophobicContact CB-CB 4.21Å; N804-A807 HydrophobicContact CB-CB 4.12Å; N804-A807 PolarHBondContact O-N 3.4Å; E805-A807 PolarHBondContact O-N 2.96Å; A807-G811 CarbonylContact O-C 3.44Å; A807-G811 PolarHBondContact O-N 3.37Å; A807-H812 PolarHBondContact O-N 2.61Å |
| 808 | V | 96 | Very high | 96.2 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -44.4 | 178 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | F671 Y674 I675 Y798 D806 D810 G811 Y813 | F671-V808 HydrophobicContact CD2-CG2 4.3Å; F671-V808 HydrophobicContact CE2-CG1 4.27Å; F671-V808 HydrophobicContact CE2-CG2 4.1Å; Y674-V808 HydrophobicContact CD1-CG2 4.48Å; Y674-V808 HydrophobicContact CE1-CB 4.15Å; Y674-V808 HydrophobicContact CE1-CG1 4.28Å; Y674-V808 HydrophobicContact CE1-CG2 3.99Å; I675-V808 HydrophobicContact CD1-CG1 3.83Å; Y798-V808 HydrophobicContact CE2-CG2 4.18Å; Y798-V808 VanDerWaalsContact OH-CG2 3.26Å; Y798-V808 WeakPolarHBondContact OH-CG2 3.23Å; D806-V808 PolarHBondContact O-N 2.99Å; V808-D810 VanDerWaalsContact C-N 3.32Å; V808-D810 PolarHBondContact O-N 2.98Å; V808-G811 PolarHBondContact O-N 3.12Å; V808-Y813 HydrophobicContact CG1-CE1 4.22Å |
| 809 | I | 95 | Very high | 96.3 | Very high | 121 Ų | 121 | 37.4 Ų | 37.4 | 62% | 0.621 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -42.5 | -177.6 | -64.1 | 173.2 | 0 | 0 | 0 | 109.9 | D806 G811 | D806-I809 PolarHBondContact O-N 3.34Å; I809-G811 VanDerWaalsContact C-N 3.27Å; I809-G811 PolarHBondContact O-N 3.28Å |
| 810 | D | 96.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8 | 179.7 | -67.9 | -17.4 | 0 | 0 | 0 | 113.5 | D806 V808 H812 | D806-D810 WeakPolarHBondContact O-CB 3.3Å; D806-D810 PolarHBondContact O-N 2.95Å; V808-D810 VanDerWaalsContact C-N 3.32Å; V808-D810 PolarHBondContact O-N 2.98Å; D810-H812 VanDerWaalsContact C-N 3.29Å; D810-H812 WeakPolarHBondContact CB-ND1 3.04Å; D810-H812 PolarHBondContact O-N 2.92Å; D810-H812 IonicContact OD2-ND1 2.87Å |
| 811 | G | 95.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A807 V808 I809 Y813 G833 | A807-G811 CarbonylContact O-C 3.44Å; A807-G811 PolarHBondContact O-N 3.37Å; V808-G811 PolarHBondContact O-N 3.12Å; I809-G811 VanDerWaalsContact C-N 3.27Å; I809-G811 PolarHBondContact O-N 3.28Å; G811-Y813 PolarHBondContact O-N 3.26Å; G811-G833 WeakPolarHBondContact O-CA 3.35Å |
| 812 | H | 95.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | trans | -81.2 | 50.7 | 177 | -64.4 | 148.4 | 0 | 0 | 0 | 112.8 | A807 D810 | A807-H812 PolarHBondContact O-N 2.61Å; D810-H812 VanDerWaalsContact C-N 3.29Å; D810-H812 WeakPolarHBondContact CB-ND1 3.04Å; D810-H812 PolarHBondContact O-N 2.92Å; D810-H812 IonicContact OD2-ND1 2.87Å | ||
| 813 | Y | 96.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -144.3 | 167.7 | 178.2 | 68.9 | -85.5 | 0 | 0 | 0 | 111.3 | Y798 W799 V808 G811 L815 M831 G833 Y834 | Y798-Y813 AromaticContact CD2-CD2 3.73Å; Y798-Y813 HydrophobicContact CD2-CD2 3.73Å; Y798-Y813 HydrophobicContact CD2-CE2 4.38Å; Y798-Y813 HydrophobicContact CD2-CG 4.28Å; Y798-Y813 HydrophobicContact CE2-CD1 4.4Å; Y798-Y813 AromaticContact CE2-CD2 3.48Å; Y798-Y813 HydrophobicContact CE2-CD2 3.48Å; Y798-Y813 VanDerWaalsContact CE2-CD2 3.48Å; Y798-Y813 HydrophobicContact CE2-CE2 4.25Å; Y798-Y813 AromaticContact CE2-CG 3.57Å; Y798-Y813 HydrophobicContact CE2-CG 3.57Å; W799-Y813 CarbonylContact O-C 3.56Å; W799-Y813 WeakPolarHBondContact O-CA 3.37Å; V808-Y813 HydrophobicContact CG1-CE1 4.22Å; G811-Y813 PolarHBondContact O-N 3.26Å; Y813-L815 HydrophobicContact CD2-CB 4.06Å; Y813-L815 HydrophobicContact CE2-CB 3.76Å; Y813-M831 HydrophobicContact CD1-CG 4.41Å; Y813-M831 HydrophobicContact CD2-CB 4.12Å; Y813-M831 HydrophobicContact CD2-CG 4.06Å; Y813-M831 HydrophobicContact CE1-CE 4.47Å; Y813-M831 HydrophobicContact CE1-CG 4.16Å; Y813-M831 HydrophobicContact CE2-CB 3.61Å; Y813-M831 HydrophobicContact CE2-CG 3.78Å; Y813-M831 HydrophobicContact CG-CG 4.36Å; Y813-M831 WeakPolarHBondContact O-CG 3.47Å; Y813-G833 WeakPolarHBondContact O-CA 3.37Å; Y813-G833 PolarHBondContact O-N 2.97Å; Y813-Y834 PolarHBondContact O-N 3.03Å |
| 814 | T | 96 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.4 | 172.6 | -73.9 | 0 | 0 | 0 | 0 | 108.7 | W799 V816 M831 Y834 F884 | W799-T814 PolarHBondContact N-O 3.23Å; W799-T814 PolarHBondContact O-N 3.25Å; T814-V816 HydrophobicContact CG2-CG2 3.72Å; T814-M831 CarbonylContact C-O 3.44Å; T814-M831 WeakPolarHBondContact CA-O 3.48Å; T814-Y834 PolarHBondContact OG1-N 3.05Å; T814-Y834 PolarHBondContact OG1-O 3.32Å; T814-F884 HydrophobicContact CG2-CB 4.35Å |
| 815 | L | 96.6 | Very high | 96 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.1 | 177.7 | 177.9 | 65.9 | 0 | 0 | 0 | 108.7 | F671 W672 L797 Y813 A829 A830 M831 | F671-L815 HydrophobicContact CE1-CD1 4.12Å; F671-L815 HydrophobicContact CE1-CD2 4.39Å; W672-L815 HydrophobicContact CH2-CD2 4.37Å; W672-L815 HydrophobicContact CZ2-CD1 4.22Å; L797-L815 WeakPolarHBondContact O-CA 3.48Å; Y813-L815 HydrophobicContact CD2-CB 4.06Å; Y813-L815 HydrophobicContact CE2-CB 3.76Å; L815-A829 CarbonylContact O-C 3.56Å; L815-A829 WeakPolarHBondContact O-CA 3.47Å; L815-A830 HydrophobicContact CD2-CB 4.31Å; L815-A830 HydrophobicContact CG-CB 4.45Å; L815-A830 PolarHBondContact O-N 3.22Å; L815-M831 HydrophobicContact CB-CB 4.15Å; L815-M831 PolarHBondContact N-O 3.28Å; L815-M831 PolarHBondContact O-N 3.45Å |
| 816 | V | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130 | -176.8 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | N796 L797 T814 F818 M827 T828 A829 F884 | N796-V816 CarbonylContact C-O 3.54Å; N796-V816 WeakPolarHBondContact CA-O 3.42Å; N796-V816 WeakPolarHBondContact CB-O 3.47Å; L797-V816 PolarHBondContact N-O 3.49Å; L797-V816 PolarHBondContact O-N 2.92Å; T814-V816 HydrophobicContact CG2-CG2 3.72Å; V816-F818 HydrophobicContact CB-CE1 3.86Å; V816-F818 HydrophobicContact CB-CZ 4.05Å; V816-F818 HydrophobicContact CG1-CD1 3.89Å; V816-F818 HydrophobicContact CG1-CE1 3.36Å; V816-F818 HydrophobicContact CG1-CZ 4.07Å; V816-M827 HydrophobicContact CG1-CB 4.28Å; V816-T828 WeakPolarHBondContact CA-O 3.47Å; V816-A829 HydrophobicContact CG2-CB 4.41Å; V816-F884 HydrophobicContact CB-CE2 4.45Å; V816-F884 HydrophobicContact CB-CZ 4.49Å; V816-F884 HydrophobicContact CG1-CD1 4.49Å; V816-F884 HydrophobicContact CG1-CE1 3.83Å; V816-F884 HydrophobicContact CG1-CE2 3.96Å; V816-F884 HydrophobicContact CG1-CZ 3.54Å; V816-F884 HydrophobicContact CG2-CD1 4.37Å; V816-F884 HydrophobicContact CG2-CD2 3.66Å; V816-F884 HydrophobicContact CG2-CE1 4.41Å; V816-F884 HydrophobicContact CG2-CE2 3.74Å; V816-F884 HydrophobicContact CG2-CG 4Å; V816-F884 HydrophobicContact CG2-CZ 4.13Å |
| 817 | N | 98 | Very high | 96.3 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.5 | 170.9 | -65 | -44.9 | 0 | 0 | 0 | 109.6 | M827 T828 | N817-M827 CarbonylContact O-C 3.53Å; N817-M827 WeakPolarHBondContact O-CA 3.44Å; N817-T828 PolarHBondContact N-O 2.9Å; N817-T828 PolarHBondContact O-N 3.17Å |
| 818 | F | 98.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.1 | 178 | -48.4 | -53.4 | 0 | 0 | 0 | 109.6 | I763 L783 Q794 G795 L797 V816 L826 M827 I839 | I763-F818 HydrophobicContact CB-CB 4.05Å; I763-F818 HydrophobicContact CB-CD2 4.42Å; I763-F818 HydrophobicContact CD1-CB 3.62Å; I763-F818 HydrophobicContact CG1-CB 4.42Å; I763-F818 HydrophobicContact CG2-CB 3.78Å; I763-F818 HydrophobicContact CG2-CD2 3.78Å; I763-F818 HydrophobicContact CG2-CG 3.98Å; L783-F818 HydrophobicContact CD1-CD1 4Å; L783-F818 HydrophobicContact CD1-CE1 3.97Å; L783-F818 HydrophobicContact CD1-CG 4.28Å; L783-F818 HydrophobicContact CD1-CZ 4.29Å; L783-F818 HydrophobicContact CD2-CD2 4.06Å; L783-F818 HydrophobicContact CD2-CE1 4.09Å; L783-F818 HydrophobicContact CD2-CE2 3.54Å; L783-F818 HydrophobicContact CD2-CZ 3.55Å; Q794-F818 VanDerWaalsContact CA-O 3.3Å; Q794-F818 WeakPolarHBondContact CA-O 3.29Å; G795-F818 PolarHBondContact N-O 3.42Å; G795-F818 PolarHBondContact O-N 2.91Å; L797-F818 HydrophobicContact CB-CE2 3.66Å; L797-F818 HydrophobicContact CB-CZ 3.63Å; L797-F818 HydrophobicContact CD2-CZ 4.31Å; V816-F818 HydrophobicContact CB-CE1 3.86Å; V816-F818 HydrophobicContact CB-CZ 4.05Å; V816-F818 HydrophobicContact CG1-CD1 3.89Å; V816-F818 HydrophobicContact CG1-CE1 3.36Å; V816-F818 HydrophobicContact CG1-CZ 4.07Å; F818-L826 WeakPolarHBondContact CA-O 3.33Å; F818-M827 HydrophobicContact CD1-CB 4Å; F818-M827 HydrophobicContact CD1-CG 3.68Å; F818-M827 HydrophobicContact CE1-CB 4.26Å; F818-M827 HydrophobicContact CE1-CG 4.09Å; F818-I839 HydrophobicContact CE1-CD1 3.71Å; F818-I839 HydrophobicContact CZ-CD1 3.98Å |
| 819 | S | 98.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 41 Ų | 41 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 124.5 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | A793 L825 L826 | A793-S819 CarbonylContact O-C 3.48Å; A793-S819 WeakPolarHBondContact O-CA 3.4Å; S819-L825 WeakPolarHBondContact O-CA 3.21Å; S819-L826 PolarHBondContact N-O 2.91Å; S819-L826 PolarHBondContact O-N 2.7Å |
| 820 | L | 98.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.2 | 166.6 | 178 | 73.4 | 0 | 0 | 0 | 108.6 | I763 V785 P787 G791 Q792 A793 Q824 L825 M844 Y895 | I763-L820 HydrophobicContact CD1-CB 4.3Å; V785-L820 HydrophobicContact CG1-CB 4.44Å; V785-L820 HydrophobicContact CG1-CD2 3.75Å; P787-L820 HydrophobicContact CB-CD2 4.02Å; P787-L820 HydrophobicContact CG-CD2 3.7Å; G791-L820 WeakPolarHBondContact O-CD2 3.43Å; Q792-L820 VanDerWaalsContact CA-O 3.29Å; Q792-L820 WeakPolarHBondContact CA-O 3.15Å; A793-L820 HydrophobicContact CB-CB 4.05Å; A793-L820 HydrophobicContact CB-CD2 4.36Å; A793-L820 PolarHBondContact N-O 3.4Å; A793-L820 PolarHBondContact O-N 3.28Å; L820-Q824 VanDerWaalsContact CA-O 3.31Å; L820-Q824 WeakPolarHBondContact CA-O 3.34Å; L820-L825 HydrophobicContact CB-CD1 4.4Å; L820-L825 HydrophobicContact CD1-CB 4.09Å; L820-M844 HydrophobicContact CD1-CE 3.79Å; L820-M844 HydrophobicContact CD2-CE 3.95Å; L820-M844 HydrophobicContact CD2-SD 4.46Å; L820-Y895 HydrophobicContact CD1-CE2 4.28Å |
| 821 | N | 96.6 | Very high | 96.2 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 138.9 | 170.6 | -168.1 | -0 | 0 | 0 | 0 | 109.9 | Q792 G823 Q824 | Q792-N821 PolarHBondContact NE2-OD1 2.8Å; N821-G823 VanDerWaalsContact C-N 3.25Å; N821-G823 PolarHBondContact O-N 3.32Å; N821-G823 VanDerWaalsContact O-N 3.11Å; N821-Q824 PolarHBondContact N-O 3.26Å; N821-Q824 WeakPolarHBondContact O-CB 3.45Å; N821-Q824 PolarHBondContact O-N 2.76Å |
| 822 | A | 89.4 | Confident | 96.1 | Very high | 95 Ų | 95 | 36 Ų | 36 | 79% | 0.785 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q824 | A822-Q824 VanDerWaalsContact C-N 3.3Å; A822-Q824 PolarHBondContact O-N 3.3Å |
| 823 | G | 91.3 | Very high | 96 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 15.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N821 Y895 W897 | N821-G823 VanDerWaalsContact C-N 3.25Å; N821-G823 PolarHBondContact O-N 3.32Å; N821-G823 VanDerWaalsContact O-N 3.11Å; G823-Y895 VanDerWaalsContact O-CD2 3.29Å; G823-Y895 WeakPolarHBondContact O-CD2 3.15Å; G823-Y895 PolarHBondContact O-N 3.24Å; G823-W897 VanDerWaalsContact CA-CZ3 3.46Å |
| 824 | Q | 97 | Very high | 95.9 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.8 | 177.1 | -177.8 | -170.9 | 28.1 | 0 | 0 | 109.1 | L820 N821 A822 E892 I893 K894 | L820-Q824 VanDerWaalsContact CA-O 3.31Å; L820-Q824 WeakPolarHBondContact CA-O 3.34Å; N821-Q824 PolarHBondContact N-O 3.26Å; N821-Q824 WeakPolarHBondContact O-CB 3.45Å; N821-Q824 PolarHBondContact O-N 2.76Å; A822-Q824 VanDerWaalsContact C-N 3.3Å; A822-Q824 PolarHBondContact O-N 3.3Å; Q824-E892 HydrophobicContact CG-CG 4.13Å; Q824-E892 PolarHBondContact NE2-OE1 2.9Å; Q824-I893 CarbonylContact C-O 3.54Å; Q824-I893 WeakPolarHBondContact CA-O 3.41Å; Q824-K894 HydrophobicContact CG-CG 4.19Å |
| 825 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.4 | 169.1 | 173.3 | 62.9 | 0 | 0 | 0 | 108.7 | I763 V785 S819 L820 V842 I893 Y895 | I763-L825 HydrophobicContact CD1-CD1 3.69Å; V785-L825 HydrophobicContact CG2-CD2 4.23Å; S819-L825 WeakPolarHBondContact O-CA 3.21Å; L820-L825 HydrophobicContact CB-CD1 4.4Å; L820-L825 HydrophobicContact CD1-CB 4.09Å; L825-V842 HydrophobicContact CD2-CG1 3.8Å; L825-V842 HydrophobicContact CD2-CG2 4.26Å; L825-I893 HydrophobicContact CB-CB 4.28Å; L825-I893 HydrophobicContact CD2-CD1 4.37Å; L825-I893 PolarHBondContact N-O 2.93Å; L825-I893 PolarHBondContact O-N 3.08Å; L825-Y895 HydrophobicContact CB-CE2 4.05Å |
| 826 | L | 98.2 | Very high | 93.6 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.9 | 177.8 | -171.9 | 67.6 | 0 | 0 | 0 | 110.1 | F818 S819 M890 E892 | F818-L826 WeakPolarHBondContact CA-O 3.33Å; S819-L826 PolarHBondContact N-O 2.91Å; S819-L826 PolarHBondContact O-N 2.7Å; L826-M890 HydrophobicContact CD1-CE 4.42Å; L826-M890 HydrophobicContact CD1-CG 3.7Å; L826-M890 HydrophobicContact CD1-SD 3.75Å; L826-E892 HydrophobicContact CD1-CB 4.35Å |
| 827 | M | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.4 | 176.5 | -58.5 | 165.2 | -90.2 | 0 | 0 | 108.1 | L783 V816 N817 F818 I839 L882 F884 M890 H891 I893 | L783-M827 HydrophobicContact CD1-CG 4.37Å; L783-M827 HydrophobicContact CD1-SD 3.99Å; V816-M827 HydrophobicContact CG1-CB 4.28Å; N817-M827 CarbonylContact O-C 3.53Å; N817-M827 WeakPolarHBondContact O-CA 3.44Å; F818-M827 HydrophobicContact CD1-CB 4Å; F818-M827 HydrophobicContact CD1-CG 3.68Å; F818-M827 HydrophobicContact CE1-CB 4.26Å; F818-M827 HydrophobicContact CE1-CG 4.09Å; M827-I839 HydrophobicContact SD-CD1 4.07Å; M827-L882 HydrophobicContact CE-CD1 3.45Å; M827-L882 VanDerWaalsContact CE-CD1 3.45Å; M827-L882 HydrophobicContact SD-CD1 3.69Å; M827-F884 HydrophobicContact CB-CE1 4.22Å; M827-F884 HydrophobicContact CB-CZ 3.86Å; M827-M890 VanDerWaalsContact O-CA 3.29Å; M827-M890 WeakPolarHBondContact O-CA 3.4Å; M827-H891 HydrophobicContact CB-CB 4.42Å; M827-H891 HydrophobicContact CE-CB 3.78Å; M827-H891 PolarHBondContact N-O 2.75Å; M827-H891 PolarHBondContact O-N 2.8Å; M827-I893 HydrophobicContact CE-CD1 3.88Å; M827-I893 HydrophobicContact CE-CG1 3.9Å |
| 828 | T | 96.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.3 | -174 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | V816 N817 A830 R889 M890 | V816-T828 WeakPolarHBondContact CA-O 3.47Å; N817-T828 PolarHBondContact N-O 2.9Å; N817-T828 PolarHBondContact O-N 3.17Å; T828-A830 PolarHBondContact O-N 3.06Å; T828-R889 CarbonylContact C-O 3.58Å; T828-R889 WeakPolarHBondContact CA-O 3.25Å; T828-M890 HydrophobicContact CG2-CE 4.27Å |
| 829 | A | 95.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L815 V816 M831 A832 F884 R889 | L815-A829 CarbonylContact O-C 3.56Å; L815-A829 WeakPolarHBondContact O-CA 3.47Å; V816-A829 HydrophobicContact CG2-CB 4.41Å; A829-M831 VanDerWaalsContact C-N 3.33Å; A829-A832 HydrophobicContact CB-CB 4.25Å; A829-F884 HydrophobicContact CB-CB 3.98Å; A829-F884 HydrophobicContact CB-CD1 3.6Å; A829-F884 HydrophobicContact CB-CE1 4.43Å; A829-F884 HydrophobicContact CB-CG 3.98Å; A829-R889 HydrophobicContact CB-CB 4.45Å; A829-R889 PolarHBondContact N-O 3.03Å |
| 830 | A | 94.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -34 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | L815 T828 | L815-A830 HydrophobicContact CD2-CB 4.31Å; L815-A830 HydrophobicContact CG-CB 4.45Å; L815-A830 PolarHBondContact O-N 3.22Å; T828-A830 PolarHBondContact O-N 3.06Å |
| 831 | M | 94.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141 | 171.4 | -173 | 61.5 | 77.5 | 0 | 0 | 109.5 | Y813 T814 L815 A829 | Y813-M831 HydrophobicContact CD1-CG 4.41Å; Y813-M831 HydrophobicContact CD2-CB 4.12Å; Y813-M831 HydrophobicContact CD2-CG 4.06Å; Y813-M831 HydrophobicContact CE1-CE 4.47Å; Y813-M831 HydrophobicContact CE1-CG 4.16Å; Y813-M831 HydrophobicContact CE2-CB 3.61Å; Y813-M831 HydrophobicContact CE2-CG 3.78Å; Y813-M831 HydrophobicContact CG-CG 4.36Å; Y813-M831 WeakPolarHBondContact O-CG 3.47Å; T814-M831 CarbonylContact C-O 3.44Å; T814-M831 WeakPolarHBondContact CA-O 3.48Å; L815-M831 HydrophobicContact CB-CB 4.15Å; L815-M831 PolarHBondContact N-O 3.28Å; L815-M831 PolarHBondContact O-N 3.45Å; A829-M831 VanDerWaalsContact C-N 3.33Å |
| 832 | A | 93.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 48.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A829 F884 | A829-A832 HydrophobicContact CB-CB 4.25Å; A832-F884 HydrophobicContact CB-CB 4.34Å |
| 833 | G | 93.7 | Very high | 92 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 38% | 0.381 | 22% | 0.22 | S | C | . | . | trans | -87.9 | -6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G811 Y813 | G811-G833 WeakPolarHBondContact O-CA 3.35Å; Y813-G833 WeakPolarHBondContact O-CA 3.37Å; Y813-G833 PolarHBondContact O-N 2.97Å | ||
| 834 | Y | 92.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 24% | 0.239 | 22% | 0.216 | C | C | . | . | trans | -135.5 | 116.1 | 178.3 | -177.6 | -102.2 | 0 | 0 | 0 | 111.7 | W799 D800 D801 Y813 T814 S836 | W799-Y834 AromaticContact CD1-CD1 3.86Å; W799-Y834 AromaticContact CD1-CE1 3.7Å; D800-Y834 VanDerWaalsContact C-CE1 3.45Å; D800-Y834 VanDerWaalsContact O-CE1 3.24Å; D800-Y834 WeakPolarHBondContact O-CE1 3.34Å; D801-Y834 HydrophobicContact CB-CE2 3.91Å; Y813-Y834 PolarHBondContact O-N 3.03Å; T814-Y834 PolarHBondContact OG1-N 3.05Å; T814-Y834 PolarHBondContact OG1-O 3.32Å; Y834-S836 WeakPolarHBondContact CE1-OG 3.49Å; Y834-S836 VanDerWaalsContact CZ-OG 3.28Å; Y834-S836 WeakPolarHBondContact OH-CB 3.32Å; Y834-S836 PolarHBondContact OH-OG 3.33Å | ||
| 835 | S | 76.3 | Confident | 92.2 | Very high | 102 Ų | 102 | 32.7 Ų | 32.7 | 71% | 0.713 | 20% | 0.201 | S | C | * | . | trans | -100 | 9.5 | -162.3 | 65.5 | 0 | 0 | 0 | 0 | 115.8 | T837 | S835-T837 PolarHBondContact O-N 2.54Š| ||
| 836 | S | 69.7 | Low | 91.9 | Very high | 67 Ų | 67 | 33.3 Ų | 33.3 | 47% | 0.469 | 21% | 0.206 | S | C | . | . | trans | -79.5 | 5.7 | -170.4 | 95.3 | 0 | 0 | 0 | 0 | 115.1 | Y834 | Y834-S836 WeakPolarHBondContact CE1-OG 3.49Å; Y834-S836 VanDerWaalsContact CZ-OG 3.28Å; Y834-S836 WeakPolarHBondContact OH-CB 3.32Å; Y834-S836 PolarHBondContact OH-OG 3.33Å | ||
| 837 | T | 69.4 | Low | 91.6 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 10% | 0.104 | 20% | 0.199 | C | C | . | . | trans | -123.9 | 142.6 | -171.9 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | L781 W799 S835 | L781-T837 HydrophobicContact CD1-CG2 3.83Å; L781-T837 HydrophobicContact CG-CG2 4.31Å; W799-T837 HydrophobicContact CD2-CG2 4.11Å; W799-T837 HydrophobicContact CG-CG2 3.79Å; W799-T837 HydrophobicContact CZ2-CG2 4.38Å; S835-T837 PolarHBondContact O-N 2.54Å | ||
| 838 | M | 87.3 | Confident | 91.3 | Very high | 98 Ų | 98 | 37.1 Ų | 37.1 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.8 | 173.9 | -60.7 | -174.3 | -74.8 | 0 | 0 | 109.7 | L781 L882 | L781-M838 PolarHBondContact N-O 3.19Å; M838-L882 CarbonylContact C-O 3.6Å; M838-L882 WeakPolarHBondContact CA-O 3.33Å |
| 839 | I | 95.5 | Very high | 91 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.8 | 166.6 | -60.3 | 174.2 | 0 | 0 | 0 | 107.6 | L781 L783 F818 M827 V842 Q881 L882 F884 | L781-I839 CarbonylContact O-C 3.55Å; L781-I839 VanDerWaalsContact O-CA 3.25Å; L781-I839 WeakPolarHBondContact O-CA 3.43Å; L783-I839 HydrophobicContact CD1-CD1 4.13Å; L783-I839 HydrophobicContact CD1-CG2 4.31Å; L783-I839 HydrophobicContact CD2-CD1 4.28Å; L783-I839 HydrophobicContact CG-CD1 4.27Å; L783-I839 HydrophobicContact CG-CG2 3.98Å; F818-I839 HydrophobicContact CE1-CD1 3.71Å; F818-I839 HydrophobicContact CZ-CD1 3.98Å; M827-I839 HydrophobicContact SD-CD1 4.07Å; I839-V842 HydrophobicContact CG2-CG2 4.48Å; I839-Q881 PolarHBondContact O-N 3.16Å; I839-L882 HydrophobicContact CB-CB 4.17Å; I839-L882 HydrophobicContact CB-CD1 4.42Å; I839-L882 HydrophobicContact CG2-CD1 4.42Å; I839-L882 PolarHBondContact N-O 2.95Å; I839-L882 PolarHBondContact O-N 2.66Å; I839-F884 HydrophobicContact CD1-CE2 3.84Å; I839-F884 HydrophobicContact CD1-CZ 4.22Å; I839-F884 HydrophobicContact CG1-CE2 4.41Å |
| 840 | N | 96.5 | Very high | 90.9 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -27.4 | -174.1 | -164.4 | 60.4 | 0 | 0 | 0 | 114 | P780 L781 F878 D879 L880 Q881 | P780-N840 HydrophobicContact CB-CB 3.57Å; P780-N840 HydrophobicContact CG-CB 3.92Å; L781-N840 PolarHBondContact O-N 3.31Å; N840-F878 CarbonylContact O-C 3.43Å; N840-D879 PolarHBondContact O-N 3.12Å; N840-D879 VanDerWaalsContact O-N 3.13Å; N840-L880 PolarHBondContact O-N 2.89Å; N840-Q881 PolarHBondContact OD1-N 3.15Å |
| 841 | Q | 97.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.9 | -179 | -166.5 | -174 | -19.4 | 0 | 0 | 111.4 | N782 L783 V843 L877 F878 | N782-Q841 CarbonylContact C-O 3.6Å; N782-Q841 WeakPolarHBondContact CA-O 3.32Å; N782-Q841 HydrophobicContact CB-CB 4.02Å; N782-Q841 WeakPolarHBondContact CB-O 3.4Å; N782-Q841 WeakPolarHBondContact OD1-CB 3.46Å; N782-Q841 PolarHBondContact OD1-N 3.45Å; N782-Q841 VanDerWaalsContact OD1-N 3.07Å; L783-Q841 PolarHBondContact N-O 2.81Å; Q841-V843 HydrophobicContact CG-CG2 4.14Å; Q841-L877 VanDerWaalsContact CA-O 3.26Å; Q841-L877 WeakPolarHBondContact CA-O 3.36Å; Q841-L877 WeakPolarHBondContact CG-O 3.11Å; Q841-F878 VanDerWaalsContact CD-CE1 3.44Å; Q841-F878 HydrophobicContact CG-CD1 3.77Å; Q841-F878 HydrophobicContact CG-CE1 3.89Å; Q841-F878 VanDerWaalsContact NE2-CE1 3.25Å |
| 842 | V | 98.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.3 | 168.5 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | L783 V785 L825 I839 S876 L877 L880 I893 | L783-V842 HydrophobicContact CB-CG2 4.25Å; L783-V842 HydrophobicContact CD1-CG2 4.32Å; V785-V842 HydrophobicContact CG2-CG1 3.91Å; L825-V842 HydrophobicContact CD2-CG1 3.8Å; L825-V842 HydrophobicContact CD2-CG2 4.26Å; I839-V842 HydrophobicContact CG2-CG2 4.48Å; V842-S876 CarbonylContact O-C 3.57Å; V842-S876 WeakPolarHBondContact O-CA 3.41Å; V842-L877 HydrophobicContact CB-CB 4.37Å; V842-L877 HydrophobicContact CB-CD1 4.45Å; V842-L877 PolarHBondContact N-O 3.02Å; V842-L877 PolarHBondContact O-N 3.36Å; V842-L880 HydrophobicContact CB-CD1 4.09Å; V842-L880 HydrophobicContact CG2-CD1 3.55Å; V842-I893 HydrophobicContact CG2-CD1 4.1Å |
| 843 | V | 96.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.9 | 175.4 | -179 | 0 | 0 | 0 | 0 | 108.3 | W766 L783 L784 V785 Q841 L845 V874 L875 | W766-V843 HydrophobicContact CZ2-CG2 4.45Å; L783-V843 PolarHBondContact O-N 2.8Å; L784-V843 CarbonylContact C-O 3.6Å; L784-V843 WeakPolarHBondContact CA-O 3.5Å; L784-V843 HydrophobicContact CD1-CB 4.03Å; L784-V843 HydrophobicContact CD1-CG1 3.94Å; V785-V843 PolarHBondContact N-O 2.92Å; Q841-V843 HydrophobicContact CG-CG2 4.14Å; V843-L845 HydrophobicContact CG1-CD2 4.12Å; V843-V874 HydrophobicContact CG1-CG1 3.68Å; V843-L875 CarbonylContact C-O 3.5Å; V843-L875 WeakPolarHBondContact CA-O 3.11Å |
| 844 | M | 96.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.8 | 176.9 | -171.1 | -177.1 | -69.2 | 0 | 0 | 110.3 | V785 P787 L820 V847 V874 L875 Y895 | V785-M844 HydrophobicContact CB-CB 4.28Å; V785-M844 HydrophobicContact CB-CG 4.21Å; V785-M844 HydrophobicContact CG1-CE 4.08Å; V785-M844 HydrophobicContact CG1-CG 4.12Å; V785-M844 WeakPolarHBondContact O-CA 3.5Å; P787-M844 HydrophobicContact CG-CG 3.93Å; P787-M844 HydrophobicContact CG-SD 4.22Å; L820-M844 HydrophobicContact CD1-CE 3.79Å; L820-M844 HydrophobicContact CD2-CE 3.95Å; L820-M844 HydrophobicContact CD2-SD 4.46Å; M844-V847 HydrophobicContact CB-CG2 3.88Å; M844-V847 HydrophobicContact CG-CG2 3.5Å; M844-V847 HydrophobicContact SD-CG2 3.53Å; M844-V847 VanDerWaalsContact SD-CG2 3.53Å; M844-V874 WeakPolarHBondContact O-CA 3.33Å; M844-L875 HydrophobicContact CB-CB 4.41Å; M844-L875 PolarHBondContact N-O 3.36Å; M844-L875 PolarHBondContact O-N 2.8Å; M844-Y895 HydrophobicContact CE-CD2 4.08Å; M844-Y895 HydrophobicContact CE-CE1 4.24Å; M844-Y895 HydrophobicContact CE-CE2 3.4Å; M844-Y895 VanDerWaalsContact CE-CE2 3.4Å; M844-Y895 VanDerWaalsContact CE-CZ 3.49Å |
| 845 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 156.9 | 178.1 | -53.9 | -170.6 | 0 | 0 | 0 | 111.7 | F730 L735 L784 V785 P787 V843 V847 V874 | F730-L845 HydrophobicContact CB-CD1 3.9Å; F730-L845 HydrophobicContact CD1-CB 3.95Å; F730-L845 HydrophobicContact CD1-CD1 4.2Å; F730-L845 HydrophobicContact CE1-CB 3.92Å; F730-L845 HydrophobicContact CG-CB 4.44Å; F730-L845 HydrophobicContact CG-CD1 4.07Å; F730-L845 HydrophobicContact CZ-CB 4.39Å; L735-L845 HydrophobicContact CB-CD2 4.19Å; L735-L845 HydrophobicContact CD1-CD2 4.46Å; L735-L845 HydrophobicContact CD2-CD1 4.37Å; L735-L845 HydrophobicContact CD2-CD2 4.2Å; L784-L845 HydrophobicContact CD1-CD1 4.15Å; L784-L845 HydrophobicContact CD1-CD2 4.02Å; L784-L845 HydrophobicContact CD1-CG 3.91Å; V785-L845 PolarHBondContact O-N 3.38Å; P787-L845 VanDerWaalsContact CD-O 3.24Å; P787-L845 WeakPolarHBondContact CD-O 3.12Å; V843-L845 HydrophobicContact CG1-CD2 4.12Å; L845-V847 VanDerWaalsContact C-N 3.27Å; L845-V847 PolarHBondContact O-N 3.41Å; L845-V874 HydrophobicContact CD2-CG1 4.16Å; L845-V874 HydrophobicContact CD2-CG2 3.76Å |
| 846 | G | 92.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 39 Ų | 39 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 67.2 | 26.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R728 E848 K873 | R728-G846 PolarHBondContact NH2-O 3.2Å; G846-E848 PolarHBondContact O-N 3.35Å; G846-K873 PolarHBondContact N-O 3.34Å |
| 847 | V | 92.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | trans | -82.7 | 107 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | M844 L845 T849 Y868 K873 L875 | M844-V847 HydrophobicContact CB-CG2 3.88Å; M844-V847 HydrophobicContact CG-CG2 3.5Å; M844-V847 HydrophobicContact SD-CG2 3.53Å; M844-V847 VanDerWaalsContact SD-CG2 3.53Å; L845-V847 VanDerWaalsContact C-N 3.27Å; L845-V847 PolarHBondContact O-N 3.41Å; V847-T849 WeakPolarHBondContact CG1-O 3.48Å; V847-Y868 HydrophobicContact CB-CE2 4.31Å; V847-Y868 HydrophobicContact CG1-CE2 4.18Å; V847-Y868 WeakPolarHBondContact O-CE2 3.31Å; V847-Y868 PolarHBondContact O-OH 2.95Å; V847-K873 PolarHBondContact N-O 3.17Å; V847-K873 WeakPolarHBondContact O-CA 3.24Å; V847-K873 VanDerWaalsContact O-CB 3.3Å; V847-K873 WeakPolarHBondContact O-CB 3.23Å; V847-L875 HydrophobicContact CB-CB 4.2Å; V847-L875 HydrophobicContact CG1-CB 4.23Å; V847-L875 HydrophobicContact CG2-CB 3.89Å | ||
| 848 | E | 90.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 40.6 Ų | 40.6 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | trans | -67.5 | -36.8 | -174.3 | -68.8 | -64.5 | 152.6 | 0 | 0 | 113.6 | G846 Y868 K873 | G846-E848 PolarHBondContact O-N 3.35Å; E848-Y868 VanDerWaalsContact C-OH 3.23Å; E848-Y868 PolarHBondContact O-OH 2.86Å; E848-K873 WeakPolarHBondContact OE1-CD 3.44Å; E848-K873 IonicContact OE1-NZ 2.72Å; E848-K873 PolarHBondContact OE1-NZ 2.98Å; E848-K873 WeakPolarHBondContact OE2-CE 3.45Å; E848-K873 IonicContact OE2-NZ 2.76Å; E848-K873 PolarHBondContact OE2-NZ 3.22Å | ||
| 849 | T | 90.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -137.3 | 144.4 | 180 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | V847 W897 | V847-T849 WeakPolarHBondContact CG1-O 3.48Å; T849-W897 PolarHBondContact O-NE1 2.92Å; T849-W897 VanDerWaalsContact O-NE1 3.11Å |
| 850 | I | 93.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 45% | 0.446 | 25% | 0.252 | S | S | . | . | trans | -61.6 | 135.4 | 173.2 | -166.6 | 171.8 | 0 | 0 | 0 | 109.2 | Y868 | I850-Y868 HydrophobicContact CB-CD1 3.68Å; I850-Y868 HydrophobicContact CB-CD2 4.48Å; I850-Y868 HydrophobicContact CB-CE1 4.18Å; I850-Y868 HydrophobicContact CB-CG 3.84Å; I850-Y868 HydrophobicContact CD1-CG 4.3Å; I850-Y868 HydrophobicContact CG1-CD1 4.39Å; I850-Y868 HydrophobicContact CG1-CG 4.13Å; I850-Y868 HydrophobicContact CG2-CD1 4.47Å | ||
| 851 | P | 92.5 | Very high | 95.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | trans | -63.8 | 144.6 | 170.4 | 26.7 | -35.1 | 0 | 0 | 0 | 110.8 | Q853 V854 L875 Y895 H896 W897 | P851-Q853 PolarHBondContact O-N 3.45Å; P851-V854 HydrophobicContact CB-CG2 4.15Å; P851-V854 HydrophobicContact CG-CG2 3.45Å; P851-V854 VanDerWaalsContact CG-CG2 3.45Å; P851-L875 HydrophobicContact CG-CD2 3.97Å; P851-Y895 HydrophobicContact CG-CD1 4.27Å; P851-H896 CarbonylContact C-O 3.58Å; P851-H896 WeakPolarHBondContact CA-O 3.18Å; P851-H896 WeakPolarHBondContact CB-O 3.48Å; P851-W897 HydrophobicContact CB-CG 4.46Å | ||
| 852 | D | 92 | Very high | 95 | Very high | 90 Ų | 90 | 45 Ų | 45 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65.6 | -31.7 | 173.2 | -68.2 | -90.9 | 0 | 0 | 0 | 111.7 | H896 K898 | D852-H896 PolarHBondContact N-O 2.75Å; D852-K898 WeakPolarHBondContact OD1-CD 3.36Å; D852-K898 VanDerWaalsContact OD1-CE 3.27Å; D852-K898 WeakPolarHBondContact OD1-CE 3.33Å; D852-K898 IonicContact OD1-NZ 3.65Å; D852-K898 PolarHBondContact OD1-NZ 2.96Å; D852-K898 WeakPolarHBondContact OD2-CA 3.31Å; D852-K898 VanDerWaalsContact OD2-CB 3.23Å; D852-K898 WeakPolarHBondContact OD2-CB 3.38Å; D852-K898 WeakPolarHBondContact OD2-CG 3.18Å; D852-K898 PolarHBondContact OD2-N 3.36Å |
| 853 | Q | 94.2 | Very high | 94.7 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 140.8 | 178.2 | -171.2 | 175.6 | 38.6 | 0 | 0 | 110.7 | P851 M855 H896 | P851-Q853 PolarHBondContact O-N 3.45Å; Q853-M855 HydrophobicContact CG-CG 4.23Å; Q853-M855 HydrophobicContact CG-SD 3.76Å; Q853-M855 PolarHBondContact NE2-SD 3.48Å; Q853-M855 VanDerWaalsContact NE2-SD 3.42Å; Q853-H896 HydrophobicContact CB-CB 4.2Å; Q853-H896 PolarHBondContact N-O 3.01Å; Q853-H896 PolarHBondContact O-N 3.43Å |
| 854 | V | 96.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.5 | 170.1 | -173 | 0 | 0 | 0 | 0 | 108.4 | P851 L861 I866 L877 I893 K894 Y895 | P851-V854 HydrophobicContact CB-CG2 4.15Å; P851-V854 HydrophobicContact CG-CG2 3.45Å; P851-V854 VanDerWaalsContact CG-CG2 3.45Å; V854-L861 HydrophobicContact CB-CD1 4.28Å; V854-L861 HydrophobicContact CG1-CD1 3.73Å; V854-L861 HydrophobicContact CG1-CG 4.42Å; V854-L861 PolarHBondContact O-N 3.24Å; V854-I866 HydrophobicContact CB-CD1 3.94Å; V854-I866 HydrophobicContact CG2-CD1 3.88Å; V854-L877 HydrophobicContact CG1-CD1 3.99Å; V854-L877 HydrophobicContact CG1-CD2 4.18Å; V854-L877 HydrophobicContact CG2-CD2 4.44Å; V854-I893 HydrophobicContact CG1-CG2 3.66Å; V854-K894 CarbonylContact C-O 3.51Å; V854-K894 WeakPolarHBondContact CA-O 3.13Å; V854-Y895 HydrophobicContact CG1-CD1 4.06Å; V854-Y895 HydrophobicContact CG1-CE1 4.08Å; V854-Y895 HydrophobicContact CG2-CD1 4.03Å |
| 855 | M | 97.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 61.5 Ų | 61.5 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.6 | -179.6 | -56.7 | -67.5 | -74.5 | 0 | 0 | 109.4 | Q853 G858 Q859 P860 I893 K894 | Q853-M855 HydrophobicContact CG-CG 4.23Å; Q853-M855 HydrophobicContact CG-SD 3.76Å; Q853-M855 PolarHBondContact NE2-SD 3.48Å; Q853-M855 VanDerWaalsContact NE2-SD 3.42Å; M855-G858 WeakPolarHBondContact CE-O 3.36Å; M855-Q859 CarbonylContact C-O 3.57Å; M855-Q859 VanDerWaalsContact CA-O 3.29Å; M855-Q859 WeakPolarHBondContact CA-O 3.3Å; M855-P860 WeakPolarHBondContact SD-CA 3.29Å; M855-P860 HydrophobicContact SD-CB 3.75Å; M855-I893 CarbonylContact O-C 3.59Å; M855-I893 VanDerWaalsContact O-CA 3.26Å; M855-I893 WeakPolarHBondContact O-CA 3.27Å; M855-K894 HydrophobicContact CB-CB 4.31Å; M855-K894 PolarHBondContact N-O 2.77Å; M855-K894 PolarHBondContact O-N 2.88Å |
| 856 | L | 97.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120 | 169.4 | 171.1 | 64.7 | 0 | 0 | 0 | 108.7 | G858 Q859 L861 L880 L882 E892 I893 | L856-G858 PolarHBondContact O-N 3.18Å; L856-G858 VanDerWaalsContact O-N 3.1Å; L856-Q859 PolarHBondContact N-O 3.4Å; L856-Q859 PolarHBondContact O-N 3.28Å; L856-L861 HydrophobicContact CB-CD2 3.69Å; L856-L861 HydrophobicContact CB-CG 4.01Å; L856-L861 HydrophobicContact CD2-CD2 3.91Å; L856-L861 HydrophobicContact CG-CD2 4.47Å; L856-L880 HydrophobicContact CD2-CD2 4.21Å; L856-L882 HydrophobicContact CD1-CD1 4.39Å; L856-L882 HydrophobicContact CD1-CD2 3.58Å; L856-L882 HydrophobicContact CD2-CD2 3.78Å; L856-L882 HydrophobicContact CG-CD2 4.24Å; L856-E892 CarbonylContact C-O 3.6Å; L856-E892 WeakPolarHBondContact CA-O 3.42Å; L856-I893 HydrophobicContact CD1-CD1 4.41Å; L856-I893 HydrophobicContact CD1-CG1 3.75Å |
| 857 | D | 96.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.4 | -179.9 | -60.8 | -31.2 | 0 | 0 | 0 | 113.3 | Q859 H891 E892 | D857-Q859 VanDerWaalsContact C-N 3.31Å; D857-Q859 PolarHBondContact O-N 3.18Å; D857-H891 VanDerWaalsContact OD1-CA 3.3Å; D857-H891 WeakPolarHBondContact OD1-CA 3.27Å; D857-H891 IonicContact OD1-ND1 3.99Å; D857-H891 IonicContact OD2-CE1 3.36Å; D857-H891 IonicContact OD2-CG 3.4Å; D857-H891 IonicContact OD2-ND1 3Å; D857-H891 PolarHBondContact OD2-ND1 3.33Å; D857-E892 PolarHBondContact N-O 3.48Å; D857-E892 PolarHBondContact OD1-N 2.96Å |
| 858 | G | 95.7 | Very high | 95 | Very high | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 3.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M855 L856 | M855-G858 WeakPolarHBondContact CE-O 3.36Å; L856-G858 PolarHBondContact O-N 3.18Å; L856-G858 VanDerWaalsContact O-N 3.1Å |
| 859 | Q | 96.7 | Very high | 95.3 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.8 | 174 | -61 | -57 | -42 | 0 | 0 | 111.3 | M855 L856 D857 L861 | M855-Q859 CarbonylContact C-O 3.57Å; M855-Q859 VanDerWaalsContact CA-O 3.29Å; M855-Q859 WeakPolarHBondContact CA-O 3.3Å; L856-Q859 PolarHBondContact N-O 3.4Å; L856-Q859 PolarHBondContact O-N 3.28Å; D857-Q859 VanDerWaalsContact C-N 3.31Å; D857-Q859 PolarHBondContact O-N 3.18Å; Q859-L861 PolarHBondContact O-N 2.94Å |
| 860 | P | 96.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.1 | 176.4 | 27.4 | -32.4 | 0 | 0 | 0 | 110.7 | M855 | M855-P860 WeakPolarHBondContact SD-CA 3.29Å; M855-P860 HydrophobicContact SD-CB 3.75Å |
| 861 | L | 96.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 71.3 Ų | 71.3 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 143.1 | 169.8 | -73.4 | -177.9 | 0 | 0 | 0 | 110.2 | V854 L856 Q859 I866 L877 L880 | V854-L861 HydrophobicContact CB-CD1 4.28Å; V854-L861 HydrophobicContact CG1-CD1 3.73Å; V854-L861 HydrophobicContact CG1-CG 4.42Å; V854-L861 PolarHBondContact O-N 3.24Å; L856-L861 HydrophobicContact CB-CD2 3.69Å; L856-L861 HydrophobicContact CB-CG 4.01Å; L856-L861 HydrophobicContact CD2-CD2 3.91Å; L856-L861 HydrophobicContact CG-CD2 4.47Å; Q859-L861 PolarHBondContact O-N 2.94Å; L861-I866 HydrophobicContact CB-CD1 4.15Å; L861-I866 HydrophobicContact CB-CG1 4.26Å; L861-L877 HydrophobicContact CD1-CB 4.48Å; L861-L877 HydrophobicContact CD1-CD1 4.07Å; L861-L877 HydrophobicContact CD1-CD2 4.12Å; L861-L877 HydrophobicContact CD1-CG 4.46Å; L861-L880 HydrophobicContact CD1-CD2 3.96Å; L861-L880 HydrophobicContact CD2-CD2 4.12Å |
| 862 | A | 95.1 | Very high | 95 | Very high | 33 Ų | 33 | 75.1 Ų | 75.1 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 150.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q864 Q865 | A862-Q864 VanDerWaalsContact CB-CD 3.49Å; A862-Q864 HydrophobicContact CB-CG 4.47Å; A862-Q864 PolarHBondContact O-N 3.13Å; A862-Q865 HydrophobicContact CB-CG 4.4Å; A862-Q865 WeakPolarHBondContact O-CB 3.47Å; A862-Q865 PolarHBondContact O-N 3.37Å |
| 863 | E | 92.5 | Very high | 95.1 | Very high | 173 Ų | 173 | 74.3 Ų | 74.3 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -56.1 | -38.1 | -177.2 | -169.4 | 177.6 | 178 | 0 | 0 | 112.3 | Q865 I866 | E863-Q865 PolarHBondContact O-N 3.15Å; E863-I866 PolarHBondContact O-N 2.77Å; E863-I866 VanDerWaalsContact O-N 3.09Å |
| 864 | Q | 94.7 | Very high | 95.2 | Very high | 158 Ų | 158 | 70.1 Ų | 70.1 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -65 | -19 | 177.3 | 68.7 | -87.8 | 6.6 | 0 | 0 | 114.6 | A862 I866 | A862-Q864 VanDerWaalsContact CB-CD 3.49Å; A862-Q864 HydrophobicContact CB-CG 4.47Å; A862-Q864 PolarHBondContact O-N 3.13Å; Q864-I866 VanDerWaalsContact C-N 3.32Å |
| 865 | Q | 96.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 70 Ų | 70 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -85.2 | -8.7 | 178 | -63.1 | 177.6 | -84.9 | 0 | 0 | 112 | A862 E863 L877 F878 D879 | A862-Q865 HydrophobicContact CB-CG 4.4Å; A862-Q865 WeakPolarHBondContact O-CB 3.47Å; A862-Q865 PolarHBondContact O-N 3.37Å; E863-Q865 PolarHBondContact O-N 3.15Å; Q865-L877 CarbonylContact O-C 3.5Å; Q865-L877 VanDerWaalsContact O-CA 3.26Å; Q865-L877 WeakPolarHBondContact O-CA 3.2Å; Q865-F878 PolarHBondContact NE2-O 3.04Å; Q865-F878 PolarHBondContact O-N 2.51Å; Q865-D879 PolarHBondContact NE2-O 3.1Å; Q865-D879 VanDerWaalsContact NE2-O 3.16Å |
| 866 | I | 97.3 | Very high | 95.2 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.6 | -175.2 | -54.1 | 173.6 | 0 | 0 | 0 | 108.9 | V854 L861 E863 Q864 L875 L877 | V854-I866 HydrophobicContact CB-CD1 3.94Å; V854-I866 HydrophobicContact CG2-CD1 3.88Å; L861-I866 HydrophobicContact CB-CD1 4.15Å; L861-I866 HydrophobicContact CB-CG1 4.26Å; E863-I866 PolarHBondContact O-N 2.77Å; E863-I866 VanDerWaalsContact O-N 3.09Å; Q864-I866 VanDerWaalsContact C-N 3.32Å; I866-L875 HydrophobicContact CG2-CD1 3.81Å; I866-L877 HydrophobicContact CB-CD2 4.48Å; I866-L877 HydrophobicContact CG1-CD2 4.02Å; I866-L877 HydrophobicContact CG2-CD2 4.27Å |
| 867 | R | 96.8 | Very high | 95.2 | Very high | 148 Ų | 148 | 67.7 Ų | 67.7 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.3 | 171.5 | -170.2 | 178 | 174.5 | 173.1 | -1.5 | 110.1 | L875 S876 F878 | R867-L875 CarbonylContact O-C 3.54Å; R867-S876 PolarHBondContact N-O 3.11Å; R867-S876 PolarHBondContact O-N 3.4Å; R867-F878 HydrophobicContact CB-CE2 3.7Å |
| 868 | Y | 96 | Very high | 95.2 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.7 | 172.9 | -178.6 | -120.3 | 0 | 0 | 0 | 110.7 | V847 E848 I850 V874 L875 | V847-Y868 HydrophobicContact CB-CE2 4.31Å; V847-Y868 HydrophobicContact CG1-CE2 4.18Å; V847-Y868 WeakPolarHBondContact O-CE2 3.31Å; V847-Y868 PolarHBondContact O-OH 2.95Å; E848-Y868 VanDerWaalsContact C-OH 3.23Å; E848-Y868 PolarHBondContact O-OH 2.86Å; I850-Y868 HydrophobicContact CB-CD1 3.68Å; I850-Y868 HydrophobicContact CB-CD2 4.48Å; I850-Y868 HydrophobicContact CB-CE1 4.18Å; I850-Y868 HydrophobicContact CB-CG 3.84Å; I850-Y868 HydrophobicContact CD1-CG 4.3Å; I850-Y868 HydrophobicContact CG1-CD1 4.39Å; I850-Y868 HydrophobicContact CG1-CG 4.13Å; I850-Y868 HydrophobicContact CG2-CD1 4.47Å; Y868-V874 WeakPolarHBondContact CA-O 3.35Å; Y868-V874 WeakPolarHBondContact CD2-O 3.26Å; Y868-L875 HydrophobicContact CD2-CB 4.41Å; Y868-L875 HydrophobicContact CD2-CD1 4.49Å |
| 869 | Q | 94.8 | Very high | 95.2 | Very high | 47 Ų | 47 | 69.2 Ų | 69.2 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 95.4 | 172.7 | -70 | 170.6 | 89.7 | 0 | 0 | 107.8 | D871 K872 K873 V874 | Q869-D871 VanDerWaalsContact C-N 3.32Å; Q869-D871 PolarHBondContact O-N 3.04Å; Q869-K872 HydrophobicContact CB-CB 4.31Å; Q869-K872 PolarHBondContact O-N 3.44Å; Q869-K873 WeakPolarHBondContact O-CA 3.17Å; Q869-K873 PolarHBondContact O-N 3.5Å; Q869-V874 HydrophobicContact CB-CB 4.4Å; Q869-V874 PolarHBondContact N-O 3.36Å; Q869-V874 PolarHBondContact O-N 2.82Å; Q869-V874 VanDerWaalsContact O-N 3.14Å |
| 870 | S | 91.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32.3 | -173.3 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | K872 | S870-K872 VanDerWaalsContact C-N 3.33Š|
| 871 | D | 90.5 | Very high | 95 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 68% | 0.684 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -35.4 | 176.2 | 61.6 | -48.3 | 0 | 0 | 0 | 112.2 | Q869 | Q869-D871 VanDerWaalsContact C-N 3.32Å; Q869-D871 PolarHBondContact O-N 3.04Å |
| 872 | K | 89.7 | Confident | 94.9 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 39% | 0.391 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.6 | 178.7 | -61.2 | -176.1 | -177.5 | 175.9 | 0 | 113.9 | Q869 S870 V874 | Q869-K872 HydrophobicContact CB-CB 4.31Å; Q869-K872 PolarHBondContact O-N 3.44Å; S870-K872 VanDerWaalsContact C-N 3.33Å; K872-V874 VanDerWaalsContact C-N 3.31Å; K872-V874 HydrophobicContact CB-CB 4.38Å; K872-V874 HydrophobicContact CB-CG2 3.75Å; K872-V874 PolarHBondContact O-N 2.71Å |
| 873 | K | 93.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 32% | 0.317 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 46.2 | -172 | -58.5 | -179.6 | -179.8 | -173 | 0 | 111.9 | G846 V847 E848 Q869 | G846-K873 PolarHBondContact N-O 3.34Å; V847-K873 PolarHBondContact N-O 3.17Å; V847-K873 WeakPolarHBondContact O-CA 3.24Å; V847-K873 VanDerWaalsContact O-CB 3.3Å; V847-K873 WeakPolarHBondContact O-CB 3.23Å; E848-K873 WeakPolarHBondContact OE1-CD 3.44Å; E848-K873 IonicContact OE1-NZ 2.72Å; E848-K873 PolarHBondContact OE1-NZ 2.98Å; E848-K873 WeakPolarHBondContact OE2-CE 3.45Å; E848-K873 IonicContact OE2-NZ 2.76Å; E848-K873 PolarHBondContact OE2-NZ 3.22Å; Q869-K873 WeakPolarHBondContact O-CA 3.17Å; Q869-K873 PolarHBondContact O-N 3.5Å |
| 874 | V | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.1 | -177.5 | 178 | 0 | 0 | 0 | 0 | 110.3 | L735 V843 M844 L845 Y868 Q869 K872 | L735-V874 HydrophobicContact CB-CG2 4.09Å; L735-V874 HydrophobicContact CD1-CG2 4.08Å; V843-V874 HydrophobicContact CG1-CG1 3.68Å; M844-V874 WeakPolarHBondContact O-CA 3.33Å; L845-V874 HydrophobicContact CD2-CG1 4.16Å; L845-V874 HydrophobicContact CD2-CG2 3.76Å; Y868-V874 WeakPolarHBondContact CA-O 3.35Å; Y868-V874 WeakPolarHBondContact CD2-O 3.26Å; Q869-V874 HydrophobicContact CB-CB 4.4Å; Q869-V874 PolarHBondContact N-O 3.36Å; Q869-V874 PolarHBondContact O-N 2.82Å; Q869-V874 VanDerWaalsContact O-N 3.14Å; K872-V874 VanDerWaalsContact C-N 3.31Å; K872-V874 HydrophobicContact CB-CB 4.38Å; K872-V874 HydrophobicContact CB-CG2 3.75Å; K872-V874 PolarHBondContact O-N 2.71Å |
| 875 | L | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.1 | 170.1 | -178.1 | 65.5 | 0 | 0 | 0 | 109.1 | V843 M844 V847 P851 I866 R867 Y868 L877 Y895 | V843-L875 CarbonylContact C-O 3.5Å; V843-L875 WeakPolarHBondContact CA-O 3.11Å; M844-L875 HydrophobicContact CB-CB 4.41Å; M844-L875 PolarHBondContact N-O 3.36Å; M844-L875 PolarHBondContact O-N 2.8Å; V847-L875 HydrophobicContact CB-CB 4.2Å; V847-L875 HydrophobicContact CG1-CB 4.23Å; V847-L875 HydrophobicContact CG2-CB 3.89Å; P851-L875 HydrophobicContact CG-CD2 3.97Å; I866-L875 HydrophobicContact CG2-CD1 3.81Å; R867-L875 CarbonylContact O-C 3.54Å; Y868-L875 HydrophobicContact CD2-CB 4.41Å; Y868-L875 HydrophobicContact CD2-CD1 4.49Å; L875-L877 HydrophobicContact CG-CD2 4.46Å; L875-Y895 HydrophobicContact CD2-CD1 3.79Å; L875-Y895 HydrophobicContact CD2-CE1 3.62Å |
| 876 | S | 97.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130 | 177 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | V842 R867 F878 | V842-S876 CarbonylContact O-C 3.57Å; V842-S876 WeakPolarHBondContact O-CA 3.41Å; R867-S876 PolarHBondContact N-O 3.11Å; R867-S876 PolarHBondContact O-N 3.4Å; S876-F878 VanDerWaalsContact CB-CE2 3.42Å; S876-F878 VanDerWaalsContact CB-CZ 3.46Å |
| 877 | L | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.8 | 174.5 | -50.8 | -179.2 | 0 | 0 | 0 | 108.7 | Q841 V842 V854 L861 Q865 I866 L875 L880 I893 Y895 | Q841-L877 VanDerWaalsContact CA-O 3.26Å; Q841-L877 WeakPolarHBondContact CA-O 3.36Å; Q841-L877 WeakPolarHBondContact CG-O 3.11Å; V842-L877 HydrophobicContact CB-CB 4.37Å; V842-L877 HydrophobicContact CB-CD1 4.45Å; V842-L877 PolarHBondContact N-O 3.02Å; V842-L877 PolarHBondContact O-N 3.36Å; V854-L877 HydrophobicContact CG1-CD1 3.99Å; V854-L877 HydrophobicContact CG1-CD2 4.18Å; V854-L877 HydrophobicContact CG2-CD2 4.44Å; L861-L877 HydrophobicContact CD1-CB 4.48Å; L861-L877 HydrophobicContact CD1-CD1 4.07Å; L861-L877 HydrophobicContact CD1-CD2 4.12Å; L861-L877 HydrophobicContact CD1-CG 4.46Å; Q865-L877 CarbonylContact O-C 3.5Å; Q865-L877 VanDerWaalsContact O-CA 3.26Å; Q865-L877 WeakPolarHBondContact O-CA 3.2Å; I866-L877 HydrophobicContact CB-CD2 4.48Å; I866-L877 HydrophobicContact CG1-CD2 4.02Å; I866-L877 HydrophobicContact CG2-CD2 4.27Å; L875-L877 HydrophobicContact CG-CD2 4.46Å; L877-L880 HydrophobicContact CB-CD1 4.18Å; L877-L880 HydrophobicContact CB-CD2 4.1Å; L877-L880 HydrophobicContact CB-CG 4.43Å; L877-I893 HydrophobicContact CD1-CD1 3.98Å; L877-I893 HydrophobicContact CD1-CG2 3.79Å; L877-Y895 HydrophobicContact CD1-CE1 3.9Å |
| 878 | F | 97.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | trans | -123.2 | 163.6 | -174.9 | -58 | -88.5 | 0 | 0 | 0 | 112.1 | N840 Q841 Q865 R867 S876 L880 | N840-F878 CarbonylContact O-C 3.43Å; Q841-F878 VanDerWaalsContact CD-CE1 3.44Å; Q841-F878 HydrophobicContact CG-CD1 3.77Å; Q841-F878 HydrophobicContact CG-CE1 3.89Å; Q841-F878 VanDerWaalsContact NE2-CE1 3.25Å; Q865-F878 PolarHBondContact NE2-O 3.04Å; Q865-F878 PolarHBondContact O-N 2.51Å; R867-F878 HydrophobicContact CB-CE2 3.7Å; S876-F878 VanDerWaalsContact CB-CE2 3.42Å; S876-F878 VanDerWaalsContact CB-CZ 3.46Å; F878-L880 VanDerWaalsContact C-N 3.26Å; F878-L880 PolarHBondContact O-N 3.25Å | ||
| 879 | D | 95.2 | Very high | 93.2 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | trans | 52.6 | 42.9 | 174.2 | -57.1 | -35 | 0 | 0 | 0 | 113 | N840 Q865 | N840-D879 PolarHBondContact O-N 3.12Å; N840-D879 VanDerWaalsContact O-N 3.13Å; Q865-D879 PolarHBondContact NE2-O 3.1Å; Q865-D879 VanDerWaalsContact NE2-O 3.16Å | ||
| 880 | L | 96.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | trans | -78.6 | -31 | -176.8 | -59.8 | 172.8 | 0 | 0 | 0 | 113 | N840 V842 L856 L861 L877 F878 L882 I893 | N840-L880 PolarHBondContact O-N 2.89Å; V842-L880 HydrophobicContact CB-CD1 4.09Å; V842-L880 HydrophobicContact CG2-CD1 3.55Å; L856-L880 HydrophobicContact CD2-CD2 4.21Å; L861-L880 HydrophobicContact CD1-CD2 3.96Å; L861-L880 HydrophobicContact CD2-CD2 4.12Å; L877-L880 HydrophobicContact CB-CD1 4.18Å; L877-L880 HydrophobicContact CB-CD2 4.1Å; L877-L880 HydrophobicContact CB-CG 4.43Å; F878-L880 VanDerWaalsContact C-N 3.26Å; F878-L880 PolarHBondContact O-N 3.25Å; L880-L882 VanDerWaalsContact C-N 3.28Å; L880-L882 HydrophobicContact CB-CD1 4.14Å; L880-L882 HydrophobicContact CB-CD2 4.12Å; L880-L882 HydrophobicContact CB-CG 3.76Å; L880-L882 HydrophobicContact CD1-CD1 4.34Å; L880-L882 VanDerWaalsContact O-CD2 3.27Å; L880-L882 WeakPolarHBondContact O-CD2 3.34Å; L880-L882 PolarHBondContact O-N 3.09Å; L880-I893 HydrophobicContact CD1-CD1 4.12Å | ||
| 881 | Q | 92.9 | Very high | 93.5 | Very high | 134 Ų | 134 | 61.8 Ų | 61.8 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | trans | 49.3 | 41.3 | 177.5 | -57 | -174.3 | -16.3 | 0 | 0 | 114.9 | I839 N840 | I839-Q881 PolarHBondContact O-N 3.16Å; N840-Q881 PolarHBondContact OD1-N 3.15Å | ||
| 882 | L | 94.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.2 | -175 | -46.9 | 176.8 | 0 | 0 | 0 | 110.7 | M827 M838 I839 L856 L880 H891 | M827-L882 HydrophobicContact CE-CD1 3.45Å; M827-L882 VanDerWaalsContact CE-CD1 3.45Å; M827-L882 HydrophobicContact SD-CD1 3.69Å; M838-L882 CarbonylContact C-O 3.6Å; M838-L882 WeakPolarHBondContact CA-O 3.33Å; I839-L882 HydrophobicContact CB-CB 4.17Å; I839-L882 HydrophobicContact CB-CD1 4.42Å; I839-L882 HydrophobicContact CG2-CD1 4.42Å; I839-L882 PolarHBondContact N-O 2.95Å; I839-L882 PolarHBondContact O-N 2.66Å; L856-L882 HydrophobicContact CD1-CD1 4.39Å; L856-L882 HydrophobicContact CD1-CD2 3.58Å; L856-L882 HydrophobicContact CD2-CD2 3.78Å; L856-L882 HydrophobicContact CG-CD2 4.24Å; L880-L882 VanDerWaalsContact C-N 3.28Å; L880-L882 HydrophobicContact CB-CD1 4.14Å; L880-L882 HydrophobicContact CB-CD2 4.12Å; L880-L882 HydrophobicContact CB-CG 3.76Å; L880-L882 HydrophobicContact CD1-CD1 4.34Å; L880-L882 VanDerWaalsContact O-CD2 3.27Å; L880-L882 WeakPolarHBondContact O-CD2 3.34Å; L880-L882 PolarHBondContact O-N 3.09Å; L882-H891 HydrophobicContact CD1-CB 4.3Å; L882-H891 HydrophobicContact CD2-CB 4.48Å |
| 883 | S | 93.7 | Very high | 94.3 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.4 | -178.3 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | H891 | S883-H891 PolarHBondContact N-NE2 2.85Å; S883-H891 PolarHBondContact O-NE2 2.87Å; S883-H891 VanDerWaalsContact O-NE2 3.14Å |
| 884 | F | 92.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.044 | 26% | 0.261 | C | S | . | . | trans | -98.3 | 135.3 | 178.1 | -58.1 | -85.1 | 0 | 0 | 0 | 111.1 | T814 V816 M827 A829 A832 I839 I888 H891 | T814-F884 HydrophobicContact CG2-CB 4.35Å; V816-F884 HydrophobicContact CB-CE2 4.45Å; V816-F884 HydrophobicContact CB-CZ 4.49Å; V816-F884 HydrophobicContact CG1-CD1 4.49Å; V816-F884 HydrophobicContact CG1-CE1 3.83Å; V816-F884 HydrophobicContact CG1-CE2 3.96Å; V816-F884 HydrophobicContact CG1-CZ 3.54Å; V816-F884 HydrophobicContact CG2-CD1 4.37Å; V816-F884 HydrophobicContact CG2-CD2 3.66Å; V816-F884 HydrophobicContact CG2-CE1 4.41Å; V816-F884 HydrophobicContact CG2-CE2 3.74Å; V816-F884 HydrophobicContact CG2-CG 4Å; V816-F884 HydrophobicContact CG2-CZ 4.13Å; M827-F884 HydrophobicContact CB-CE1 4.22Å; M827-F884 HydrophobicContact CB-CZ 3.86Å; A829-F884 HydrophobicContact CB-CB 3.98Å; A829-F884 HydrophobicContact CB-CD1 3.6Å; A829-F884 HydrophobicContact CB-CE1 4.43Å; A829-F884 HydrophobicContact CB-CG 3.98Å; A832-F884 HydrophobicContact CB-CB 4.34Å; I839-F884 HydrophobicContact CD1-CE2 3.84Å; I839-F884 HydrophobicContact CD1-CZ 4.22Å; I839-F884 HydrophobicContact CG1-CE2 4.41Å; F884-I888 WeakPolarHBondContact CA-O 3.16Å; F884-H891 AromaticContact CE1-CD2 3.75Å; F884-H891 AromaticContact CZ-CD2 3.93Å | ||
| 885 | S | 90.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -146 | 175.2 | 176.8 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | Q887 I888 R889 | S885-Q887 PolarHBondContact O-N 2.81Å; S885-Q887 PolarHBondContact OG-N 2.74Å; S885-I888 PolarHBondContact N-O 2.69Å; S885-I888 CarbonylContact O-C 3.52Å; S885-I888 VanDerWaalsContact O-C 3.27Å; S885-I888 PolarHBondContact O-N 2.82Å; S885-I888 PolarHBondContact OG-N 2.6Å; S885-R889 VanDerWaalsContact O-CG 3.24Å; S885-R889 WeakPolarHBondContact O-CG 3.33Å | ||
| 886 | N | 85.7 | Confident | 94.2 | Very high | 113 Ų | 113 | 57.5 Ų | 57.5 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -60.4 | -25.2 | 172.4 | -79.3 | -36.9 | 0 | 0 | 0 | 113.6 | R889 | N886-R889 PolarHBondContact OD1-NH2 2.84Š|
| 887 | Q | 88.7 | Confident | 93.6 | Very high | 186 Ų | 186 | 61.9 Ų | 61.9 | 87% | 0.869 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -89.2 | -34.8 | 178.1 | -66.3 | -178.7 | -25.8 | 0 | 0 | 112.6 | S885 | S885-Q887 PolarHBondContact O-N 2.81Å; S885-Q887 PolarHBondContact OG-N 2.74Å |
| 888 | I | 90.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 41% | 0.405 | 33% | 0.325 | S | S | . | . | trans | -119.3 | 95.1 | -178.9 | -55.6 | 174.9 | 0 | 0 | 0 | 107.8 | F884 S885 | F884-I888 WeakPolarHBondContact CA-O 3.16Å; S885-I888 PolarHBondContact N-O 2.69Å; S885-I888 CarbonylContact O-C 3.52Å; S885-I888 VanDerWaalsContact O-C 3.27Å; S885-I888 PolarHBondContact O-N 2.82Å; S885-I888 PolarHBondContact OG-N 2.6Å | ||
| 889 | R | 92.5 | Very high | 90.1 | Very high | 112 Ų | 112 | 70.1 Ų | 70.1 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | trans | -102.4 | -2.3 | -179.2 | -68.4 | -170.3 | 174.3 | -155.4 | -4.6 | 113.7 | T828 A829 S885 N886 | T828-R889 CarbonylContact C-O 3.58Å; T828-R889 WeakPolarHBondContact CA-O 3.25Å; A829-R889 HydrophobicContact CB-CB 4.45Å; A829-R889 PolarHBondContact N-O 3.03Å; S885-R889 VanDerWaalsContact O-CG 3.24Å; S885-R889 WeakPolarHBondContact O-CG 3.33Å; N886-R889 PolarHBondContact OD1-NH2 2.84Å | ||
| 890 | M | 95.8 | Very high | 87.5 | Confident | 101 Ų | 101 | 75.6 Ų | 75.6 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.5 | -172.9 | -175.1 | -178.3 | -72.8 | 0 | 0 | 109.9 | L826 M827 T828 | L826-M890 HydrophobicContact CD1-CE 4.42Å; L826-M890 HydrophobicContact CD1-CG 3.7Å; L826-M890 HydrophobicContact CD1-SD 3.75Å; M827-M890 VanDerWaalsContact O-CA 3.29Å; M827-M890 WeakPolarHBondContact O-CA 3.4Å; T828-M890 HydrophobicContact CG2-CE 4.27Å |
| 891 | H | 96.8 | Very high | 84.5 | Confident | 13 Ų | 13 | 87.3 Ų | 87.3 | 6% | 0.06 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.4 | 166.6 | -71 | -73.4 | 0 | 0 | 0 | 109.3 | M827 D857 L882 S883 F884 | M827-H891 HydrophobicContact CB-CB 4.42Å; M827-H891 HydrophobicContact CE-CB 3.78Å; M827-H891 PolarHBondContact N-O 2.75Å; M827-H891 PolarHBondContact O-N 2.8Å; D857-H891 VanDerWaalsContact OD1-CA 3.3Å; D857-H891 WeakPolarHBondContact OD1-CA 3.27Å; D857-H891 IonicContact OD1-ND1 3.99Å; D857-H891 IonicContact OD2-CE1 3.36Å; D857-H891 IonicContact OD2-CG 3.4Å; D857-H891 IonicContact OD2-ND1 3Å; D857-H891 PolarHBondContact OD2-ND1 3.33Å; L882-H891 HydrophobicContact CD1-CB 4.3Å; L882-H891 HydrophobicContact CD2-CB 4.48Å; S883-H891 PolarHBondContact N-NE2 2.85Å; S883-H891 PolarHBondContact O-NE2 2.87Å; S883-H891 VanDerWaalsContact O-NE2 3.14Å; F884-H891 AromaticContact CE1-CD2 3.75Å; F884-H891 AromaticContact CZ-CD2 3.93Å |
| 892 | E | 97.7 | Very high | 84.1 | Confident | 37 Ų | 37 | 85 Ų | 85 | 17% | 0.173 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.7 | -176.2 | -177.4 | -169.9 | -122.6 | 0 | 0 | 110.7 | Q824 L826 L856 D857 K894 | Q824-E892 HydrophobicContact CG-CG 4.13Å; Q824-E892 PolarHBondContact NE2-OE1 2.9Å; L826-E892 HydrophobicContact CD1-CB 4.35Å; L856-E892 CarbonylContact C-O 3.6Å; L856-E892 WeakPolarHBondContact CA-O 3.42Å; D857-E892 PolarHBondContact N-O 3.48Å; D857-E892 PolarHBondContact OD1-N 2.96Å; E892-K894 VanDerWaalsContact CD-CE 3.4Å; E892-K894 HydrophobicContact CG-CG 4.12Å; E892-K894 WeakPolarHBondContact OE1-CE 3.45Å; E892-K894 IonicContact OE1-NZ 3.39Å; E892-K894 PolarHBondContact OE1-NZ 2.99Å; E892-K894 WeakPolarHBondContact OE2-CE 3.38Å; E892-K894 IonicContact OE2-NZ 2.62Å; E892-K894 PolarHBondContact OE2-NZ 3.1Å |
| 893 | I | 98.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.8 | 168.7 | -58.6 | 175.6 | 0 | 0 | 0 | 108.8 | Q824 L825 M827 V842 V854 M855 L856 L877 L880 Y895 | Q824-I893 CarbonylContact C-O 3.54Å; Q824-I893 WeakPolarHBondContact CA-O 3.41Å; L825-I893 HydrophobicContact CB-CB 4.28Å; L825-I893 HydrophobicContact CD2-CD1 4.37Å; L825-I893 PolarHBondContact N-O 2.93Å; L825-I893 PolarHBondContact O-N 3.08Å; M827-I893 HydrophobicContact CE-CD1 3.88Å; M827-I893 HydrophobicContact CE-CG1 3.9Å; V842-I893 HydrophobicContact CG2-CD1 4.1Å; V854-I893 HydrophobicContact CG1-CG2 3.66Å; M855-I893 CarbonylContact O-C 3.59Å; M855-I893 VanDerWaalsContact O-CA 3.26Å; M855-I893 WeakPolarHBondContact O-CA 3.27Å; L856-I893 HydrophobicContact CD1-CD1 4.41Å; L856-I893 HydrophobicContact CD1-CG1 3.75Å; L877-I893 HydrophobicContact CD1-CD1 3.98Å; L877-I893 HydrophobicContact CD1-CG2 3.79Å; L880-I893 HydrophobicContact CD1-CD1 4.12Å; I893-Y895 HydrophobicContact CG2-CE1 3.96Å; I893-Y895 HydrophobicContact CG2-CE2 3.9Å |
| 894 | K | 97.4 | Very high | 83 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 32% | 0.317 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.5 | 174.4 | -70.5 | -178.9 | 168.7 | 123.4 | 0 | 110.7 | Q824 V854 M855 E892 | Q824-K894 HydrophobicContact CG-CG 4.19Å; V854-K894 CarbonylContact C-O 3.51Å; V854-K894 WeakPolarHBondContact CA-O 3.13Å; M855-K894 HydrophobicContact CB-CB 4.31Å; M855-K894 PolarHBondContact N-O 2.77Å; M855-K894 PolarHBondContact O-N 2.88Å; E892-K894 VanDerWaalsContact CD-CE 3.4Å; E892-K894 HydrophobicContact CG-CG 4.12Å; E892-K894 WeakPolarHBondContact OE1-CE 3.45Å; E892-K894 IonicContact OE1-NZ 3.39Å; E892-K894 PolarHBondContact OE1-NZ 2.99Å; E892-K894 WeakPolarHBondContact OE2-CE 3.38Å; E892-K894 IonicContact OE2-NZ 2.62Å; E892-K894 PolarHBondContact OE2-NZ 3.1Å |
| 895 | Y | 95.3 | Very high | 82.4 | Confident | 9 Ų | 9 | 96.4 Ų | 96.4 | 4% | 0.035 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.2 | 175.4 | -54.2 | -84.6 | 0 | 0 | 0 | 108.7 | L820 G823 L825 M844 P851 V854 L875 L877 I893 W897 | L820-Y895 HydrophobicContact CD1-CE2 4.28Å; G823-Y895 VanDerWaalsContact O-CD2 3.29Å; G823-Y895 WeakPolarHBondContact O-CD2 3.15Å; G823-Y895 PolarHBondContact O-N 3.24Å; L825-Y895 HydrophobicContact CB-CE2 4.05Å; M844-Y895 HydrophobicContact CE-CD2 4.08Å; M844-Y895 HydrophobicContact CE-CE1 4.24Å; M844-Y895 HydrophobicContact CE-CE2 3.4Å; M844-Y895 VanDerWaalsContact CE-CE2 3.4Å; M844-Y895 VanDerWaalsContact CE-CZ 3.49Å; P851-Y895 HydrophobicContact CG-CD1 4.27Å; V854-Y895 HydrophobicContact CG1-CD1 4.06Å; V854-Y895 HydrophobicContact CG1-CE1 4.08Å; V854-Y895 HydrophobicContact CG2-CD1 4.03Å; L875-Y895 HydrophobicContact CD2-CD1 3.79Å; L875-Y895 HydrophobicContact CD2-CE1 3.62Å; L877-Y895 HydrophobicContact CD1-CE1 3.9Å; I893-Y895 HydrophobicContact CG2-CE1 3.96Å; I893-Y895 HydrophobicContact CG2-CE2 3.9Å; Y895-W897 VanDerWaalsContact CB-CH2 3.49Å; Y895-W897 HydrophobicContact CD2-CH2 4.42Å; Y895-W897 HydrophobicContact CG-CH2 4.11Å; Y895-W897 HydrophobicContact CG-CZ2 4.29Å |
| 896 | H | 91 | Very high | 81.9 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 39% | 0.394 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 108.2 | 175.1 | -64.5 | -71.7 | 0 | 0 | 0 | 109.5 | P851 D852 Q853 | P851-H896 CarbonylContact C-O 3.58Å; P851-H896 WeakPolarHBondContact CA-O 3.18Å; P851-H896 WeakPolarHBondContact CB-O 3.48Å; D852-H896 PolarHBondContact N-O 2.75Å; Q853-H896 HydrophobicContact CB-CB 4.2Å; Q853-H896 PolarHBondContact N-O 3.01Å; Q853-H896 PolarHBondContact O-N 3.43Å |
| 897 | W | 86.1 | Confident | 81.7 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 37% | 0.367 | 45% | 0.449 | S | S | . | . | trans | -95.1 | 135.9 | 165.3 | -59.2 | -85.1 | 0 | 0 | 0 | 108.8 | G823 T849 P851 Y895 S899 | G823-W897 VanDerWaalsContact CA-CZ3 3.46Å; T849-W897 PolarHBondContact O-NE1 2.92Å; T849-W897 VanDerWaalsContact O-NE1 3.11Å; P851-W897 HydrophobicContact CB-CG 4.46Å; Y895-W897 VanDerWaalsContact CB-CH2 3.49Å; Y895-W897 HydrophobicContact CD2-CH2 4.42Å; Y895-W897 HydrophobicContact CG-CH2 4.11Å; Y895-W897 HydrophobicContact CG-CZ2 4.29Å; W897-S899 PolarHBondContact O-N 3.28Å | ||
| 898 | K | 70 | Confident | 81.2 | Confident | 139 Ų | 139 | 93.2 Ų | 93.2 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | trans | -55.3 | 124.7 | 162.4 | -89.5 | 168.8 | -169.1 | 138.6 | 0 | 107.5 | D852 Y900 | D852-K898 WeakPolarHBondContact OD1-CD 3.36Å; D852-K898 VanDerWaalsContact OD1-CE 3.27Å; D852-K898 WeakPolarHBondContact OD1-CE 3.33Å; D852-K898 IonicContact OD1-NZ 3.65Å; D852-K898 PolarHBondContact OD1-NZ 2.96Å; D852-K898 WeakPolarHBondContact OD2-CA 3.31Å; D852-K898 VanDerWaalsContact OD2-CB 3.23Å; D852-K898 WeakPolarHBondContact OD2-CB 3.38Å; D852-K898 WeakPolarHBondContact OD2-CG 3.18Å; D852-K898 PolarHBondContact OD2-N 3.36Å; K898-Y900 VanDerWaalsContact C-N 3.35Å; K898-Y900 PolarHBondContact O-N 3.09Å | ||
| 899 | S | 51.1 | Low | 80.4 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 63% | 0.629 | 42% | 0.42 | S | S | * | . | trans | -58.4 | 104 | 165.4 | 61.3 | 0 | 0 | 0 | 0 | 107.4 | W897 F901 | W897-S899 PolarHBondContact O-N 3.28Å; S899-F901 PolarHBondContact O-N 2.94Å | ||
| 900 | Y | 40.4 | Very low | 79.4 | Confident | 213 Ų | 213 | 92.8 Ų | 92.8 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | trans | -72.5 | 80.3 | 153.1 | -77.7 | -84.2 | 0 | 0 | 0 | 105.6 | K898 | K898-Y900 VanDerWaalsContact C-N 3.35Å; K898-Y900 PolarHBondContact O-N 3.09Å | ||
| 901 | F | 33.6 | Very low | 78 | Confident | 257 Ų | 257 | 92.1 Ų | 92.1 | 100% | 1.127 | 41% | 0.413 | S | S | * | . | trans | -79.4 | 0 | 155.1 | -88.6 | -69.2 | 0 | 0 | 0 | 108.3 | S899 | S899-F901 PolarHBondContact O-N 2.94Š|
Retrieved 901 of 901 residues in 235.4 ms
(Link to these results)