| 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 | 33.1 | Very low | 61.3 | Low | 227 Ų | 227 | 122.5 Ų | 122.5 | 100% | 1.118 | 59% | 0.591 | S | S | * | * | 0 | 94.8 | 0 | -85.2 | -170 | -102 | 0 | 0 | 109.5 | |||||
| 2 | W | 41 | Very low | 62.3 | Low | 258 Ų | 258 | 121.9 Ų | 121.9 | 98% | 0.977 | 60% | 0.601 | S | S | * | * | trans | -89.5 | -3.5 | 178 | -94.6 | 29.2 | 0 | 0 | 0 | 113.8 | K4 | W2-K4 PolarHBondContact O-N 2.84Š| ||
| 3 | N | 55.7 | Low | 63.9 | Low | 96 Ų | 96 | 123.5 Ų | 123.5 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | 31.9 | -169.2 | -137.6 | 4.8 | 0 | 0 | 0 | 114.5 | ||
| 4 | K | 67.4 | Low | 65.4 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -15.7 | 175.9 | -79.2 | -172.4 | -178.6 | -176.6 | 0 | 112.8 | W2 I6 W42 R52 | W2-K4 PolarHBondContact O-N 2.84Å; K4-I6 VanDerWaalsContact C-N 3.3Å; K4-I6 CarbonylContact C-O 3.56Å; K4-W42 HydrophobicContact CB-CH2 3.6Å; K4-W42 HydrophobicContact CB-CZ3 3.93Å; K4-R52 PolarHBondContact O-NH2 3.03Å |
| 5 | A | 66.4 | Low | 67 | Low | 19 Ų | 19 | 109.1 Ų | 109.1 | 16% | 0.157 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -63.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W42 R52 | A5-W42 HydrophobicContact CB-CE3 4.01Å; A5-W42 HydrophobicContact CB-CZ3 4.17Å; A5-R52 PolarHBondContact O-NE 3.07Å; A5-R52 PolarHBondContact O-NH2 2.95Å |
| 6 | I | 76.1 | Confident | 68.6 | Low | 26 Ų | 26 | 107.1 Ų | 107.1 | 13% | 0.133 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -88.8 | 138.7 | 171.5 | -53.4 | 170.3 | 0 | 0 | 0 | 108.3 | K4 P14 F34 | K4-I6 VanDerWaalsContact C-N 3.3Å; K4-I6 CarbonylContact C-O 3.56Å; I6-P14 HydrophobicContact CD1-CG 3.53Å; I6-P14 HydrophobicContact CG1-CG 3.84Å; I6-P14 HydrophobicContact CG2-CG 4.03Å; I6-F34 HydrophobicContact CD1-CE1 3.94Å; I6-F34 HydrophobicContact CD1-CZ 4.12Å; I6-F34 HydrophobicContact CG1-CE1 4.19Å; I6-F34 HydrophobicContact CG1-CE2 4.44Å; I6-F34 HydrophobicContact CG1-CZ 3.87Å |
| 7 | E | 71.7 | Confident | 70.2 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | trans | -76.1 | 126 | 176.5 | -153.3 | -178.5 | 158.9 | 0 | 0 | 109.4 | S9 T10 | E7-S9 VanDerWaalsContact CG-OG 3.3Å; E7-S9 WeakPolarHBondContact CG-OG 3.27Å; E7-S9 PolarHBondContact O-N 3.06Å; E7-S9 PolarHBondContact OE1-OG 3.33Å; E7-S9 VanDerWaalsContact OE1-OG 3.11Å; E7-T10 HydrophobicContact CB-CG2 4.14Å; E7-T10 PolarHBondContact O-N 3.44Å; E7-T10 PolarHBondContact O-OG1 2.87Å | ||
| 8 | L | 64.8 | Low | 71.5 | Confident | 153 Ų | 153 | 102.3 Ų | 102.3 | 80% | 0.801 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.2 | -176.8 | -68.7 | 168.6 | 0 | 0 | 0 | 113.7 | ||
| 9 | S | 65.3 | Low | 72.8 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.9 | 176.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | E7 K11 | E7-S9 VanDerWaalsContact CG-OG 3.3Å; E7-S9 WeakPolarHBondContact CG-OG 3.27Å; E7-S9 PolarHBondContact O-N 3.06Å; E7-S9 PolarHBondContact OE1-OG 3.33Å; E7-S9 VanDerWaalsContact OE1-OG 3.11Å; S9-K11 PolarHBondContact O-N 3.14Å |
| 10 | T | 66.2 | Low | 73.9 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 30% | 0.301 | 51% | 0.508 | S | S | . | . | trans | -65.6 | 121.7 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | E7 T12 | E7-T10 HydrophobicContact CB-CG2 4.14Å; E7-T10 PolarHBondContact O-N 3.44Å; E7-T10 PolarHBondContact O-OG1 2.87Å; T10-T12 VanDerWaalsContact C-N 3.27Å; T10-T12 PolarHBondContact O-N 3.34Å | ||
| 11 | K | 66.5 | Low | 74.9 | Confident | 211 Ų | 211 | 95.8 Ų | 95.8 | 92% | 0.917 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -68.6 | -24.8 | -178.9 | -67.6 | -176.4 | 179.3 | 178.5 | 0 | 113.5 | S9 | S9-K11 PolarHBondContact O-N 3.14Š|
| 12 | T | 74.1 | Confident | 77.7 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -125.2 | 132 | -177.6 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | T10 | T10-T12 VanDerWaalsContact C-N 3.27Å; T10-T12 PolarHBondContact O-N 3.34Å |
| 13 | H | 82.4 | Confident | 80.1 | Confident | 142 Ų | 142 | 75.8 Ų | 75.8 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | trans | -63.4 | 134.9 | 176.6 | -168.1 | -79.7 | 0 | 0 | 0 | 109.8 | G15 | H13-G15 PolarHBondContact CE1-O 3.32Å; H13-G15 PolarHBondContact ND1-N 2.92Å; H13-G15 PolarHBondContact ND1-O 3.38Å; H13-G15 PolarHBondContact O-N 3.21Å | ||
| 14 | P | 85.3 | Confident | 81.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 8% | 0.078 | 39% | 0.389 | C | S | . | . | trans | -72.9 | 8.8 | -174.9 | 30.6 | -37 | 0 | 0 | 0 | 114.5 | I6 F34 G36 | I6-P14 HydrophobicContact CD1-CG 3.53Å; I6-P14 HydrophobicContact CG1-CG 3.84Å; I6-P14 HydrophobicContact CG2-CG 4.03Å; P14-F34 HydrophobicContact CB-CB 3.88Å; P14-F34 HydrophobicContact CB-CD1 4.31Å; P14-F34 HydrophobicContact CB-CG 4.04Å; P14-F34 HydrophobicContact CG-CB 4.46Å; P14-F34 HydrophobicContact CG-CD1 3.98Å; P14-F34 HydrophobicContact CG-CE1 4.35Å; P14-F34 HydrophobicContact CG-CG 4.12Å; P14-F34 WeakPolarHBondContact O-CB 3.04Å; P14-G36 WeakPolarHBondContact O-CA 3.44Å; P14-G36 PolarHBondContact O-N 2.93Å | ||
| 15 | G | 89.1 | Confident | 82.6 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | trans | 79.5 | -173.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H13 | H13-G15 PolarHBondContact CE1-O 3.32Å; H13-G15 PolarHBondContact ND1-N 2.92Å; H13-G15 PolarHBondContact ND1-O 3.38Å; H13-G15 PolarHBondContact O-N 3.21Å | ||
| 16 | P | 93.1 | Very high | 83.5 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -66.5 | 159.9 | 174 | 29.8 | -35.5 | 0 | 0 | 0 | 112.1 | V18 F34 E35 | P16-V18 PolarHBondContact O-N 3.08Å; P16-F34 WeakPolarHBondContact O-CA 3.48Å; P16-E35 WeakPolarHBondContact CD-OE2 3.46Å; P16-E35 HydrophobicContact CG-CB 4.07Å; P16-E35 VanDerWaalsContact CG-OE2 3.31Å; P16-E35 WeakPolarHBondContact CG-OE2 3.46Å; P16-E35 PolarHBondContact O-N 3.49Å |
| 17 | V | 94.6 | Very high | 83.8 | Confident | 78 Ų | 78 | 75 Ų | 75 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.7 | 169.7 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | H19 L20 V32 G33 F34 | V17-H19 WeakPolarHBondContact CG1-O 3.4Å; V17-L20 HydrophobicContact CG1-CB 4.49Å; V17-V32 HydrophobicContact CG1-CG1 3.89Å; V17-V32 HydrophobicContact CG2-CG1 3.93Å; V17-G33 WeakPolarHBondContact CA-O 3.35Å; V17-F34 HydrophobicContact CG2-CD1 3.9Å; V17-F34 HydrophobicContact CG2-CE1 3.52Å; V17-F34 HydrophobicContact CG2-CZ 4.15Å |
| 18 | V | 94.7 | Very high | 84.4 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 30% | 0.303 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -16.7 | 177.8 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | P16 G33 E35 I59 | P16-V18 PolarHBondContact O-N 3.08Å; V18-G33 WeakPolarHBondContact CG2-O 2.69Å; V18-G33 PolarHBondContact N-O 2.8Å; V18-E35 HydrophobicContact CG1-CB 3.7Å; V18-E35 HydrophobicContact CG1-CG 4.31Å; V18-I59 HydrophobicContact CG2-CB 4.25Å; V18-I59 HydrophobicContact CG2-CG2 3.96Å |
| 19 | H | 95.5 | Very high | 85.7 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.6 | 177.8 | -171.9 | 81.6 | 0 | 0 | 0 | 112.5 | V17 S21 V32 G33 V62 | V17-H19 WeakPolarHBondContact CG1-O 3.4Å; H19-S21 WeakPolarHBondContact NE2-CB 3.35Å; H19-S21 PolarHBondContact NE2-OG 3.2Å; H19-V32 WeakPolarHBondContact O-CA 3.36Å; H19-G33 PolarHBondContact N-O 2.91Å; H19-G33 PolarHBondContact O-N 2.89Å; H19-V62 HydrophobicContact CB-CB 4.1Å; H19-V62 HydrophobicContact CB-CG2 3.87Å; H19-V62 PolarHBondContact CE1-O 3.41Å; H19-V62 PolarHBondContact ND1-O 3.41Å |
| 20 | L | 95.6 | Very high | 87 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 59% | 0.586 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.9 | 173 | -174.9 | 65.8 | 0 | 0 | 0 | 109.8 | V17 L30 L31 V32 | V17-L20 HydrophobicContact CG1-CB 4.49Å; L20-L30 HydrophobicContact CD1-CB 4.5Å; L20-L30 HydrophobicContact CD1-CD1 4.33Å; L20-L31 WeakPolarHBondContact CA-O 3.33Å; L20-V32 HydrophobicContact CD1-CG2 3.79Å |
| 21 | S | 94.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 149.3 | 178.4 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | H19 L30 L31 W64 | H19-S21 WeakPolarHBondContact NE2-CB 3.35Å; H19-S21 PolarHBondContact NE2-OG 3.2Å; S21-L30 CarbonylContact O-C 3.55Å; S21-L30 WeakPolarHBondContact O-CA 3.44Å; S21-L31 PolarHBondContact N-O 3.2Å; S21-L31 VanDerWaalsContact N-O 3.09Å; S21-L31 PolarHBondContact O-N 2.84Å; S21-W64 PolarHBondContact OG-NE1 3.01Å |
| 22 | D | 91.3 | Very high | 89.8 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 147.4 | 168.5 | -67.1 | -3.3 | 0 | 0 | 0 | 109.8 | P24 L30 W64 R922 | D22-P24 WeakPolarHBondContact O-CD 3.33Å; D22-L30 WeakPolarHBondContact OD1-CD2 3.42Å; D22-W64 PolarHBondContact O-NE1 2.72Å; D22-R922 IonicContact OD1-NH2 2.68Å; D22-R922 IonicContact OD2-CZ 2.93Å; D22-R922 IonicContact OD2-NH1 3.42Å; D22-R922 PolarHBondContact OD2-NH1 3.1Å; D22-R922 IonicContact OD2-NH2 3.65Å; D22-R922 PolarHBondContact OD2-NH2 3.07Å |
| 23 | S | 91.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.8 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | K25 D26 K29 | S23-K25 PolarHBondContact O-N 3.4Å; S23-D26 WeakPolarHBondContact CB-O 3.37Å; S23-D26 CarbonylContact O-C 3.53Å; S23-D26 PolarHBondContact O-N 3.03Å; S23-D26 VanDerWaalsContact O-N 3.08Å; S23-K29 PolarHBondContact N-O 2.86Å |
| 24 | P | 89.8 | Confident | 91.4 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.3 | 176.5 | -25.9 | 33.8 | 0 | 0 | 0 | 113.5 | D22 W64 H66 N175 | D22-P24 WeakPolarHBondContact O-CD 3.33Å; P24-W64 HydrophobicContact CG-CB 3.74Å; P24-W64 HydrophobicContact CG-CD2 4.22Å; P24-W64 HydrophobicContact CG-CG 3.85Å; P24-H66 VanDerWaalsContact CB-O 3.25Å; P24-H66 WeakPolarHBondContact CB-O 3.29Å; P24-N175 HydrophobicContact CB-CB 4.09Å; P24-N175 WeakPolarHBondContact O-CB 3.45Å |
| 25 | K | 85.9 | Confident | 91.9 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -31.4 | -179.1 | -171.6 | -178.5 | 174.3 | -164.7 | 0 | 113 | S23 R906 | S23-K25 PolarHBondContact O-N 3.4Å; K25-R906 PolarHBondContact O-NH1 2.86Å; K25-R906 PolarHBondContact O-NH2 3.33Å |
| 26 | D | 85.3 | Confident | 92.1 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 105.6 | -173.4 | -174.6 | 0.5 | 0 | 0 | 0 | 110.5 | S23 G28 K29 R45 | S23-D26 WeakPolarHBondContact CB-O 3.37Å; S23-D26 CarbonylContact O-C 3.53Å; S23-D26 PolarHBondContact O-N 3.03Å; S23-D26 VanDerWaalsContact O-N 3.08Å; D26-G28 PolarHBondContact O-N 3.4Å; D26-G28 VanDerWaalsContact O-N 3.1Å; D26-G28 PolarHBondContact OD1-N 3.44Å; D26-G28 VanDerWaalsContact OD1-N 3.07Å; D26-K29 HydrophobicContact CB-CD 4.31Å; D26-K29 HydrophobicContact CB-CG 4.21Å; D26-K29 PolarHBondContact O-N 3.48Å; D26-K29 WeakPolarHBondContact OD2-CE 3.3Å; D26-R45 IonicContact OD1-NH2 2.83Å; D26-R45 PolarHBondContact OD1-NH2 2.86Å; D26-R45 IonicContact OD2-NH2 3.34Å; D26-R45 PolarHBondContact OD2-NH2 3.32Å |
| 27 | E | 82.1 | Confident | 92.1 | Very high | 102 Ų | 102 | 41 Ų | 41 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | -17.6 | -179.6 | -64.8 | 175.4 | -174.8 | 0 | 0 | 113.3 | K29 F920 | E27-K29 PolarHBondContact O-N 3.47Å; E27-F920 HydrophobicContact CB-CD1 4.14Å |
| 28 | G | 85.9 | Confident | 92 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 3.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D26 L44 | D26-G28 PolarHBondContact O-N 3.4Å; D26-G28 VanDerWaalsContact O-N 3.1Å; D26-G28 PolarHBondContact OD1-N 3.44Å; D26-G28 VanDerWaalsContact OD1-N 3.07Å; G28-L44 VanDerWaalsContact O-CB 3.29Å; G28-L44 WeakPolarHBondContact O-CB 3.47Å; G28-L44 PolarHBondContact O-N 2.9Å |
| 29 | K | 90.7 | Very high | 92 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.4 | -177.9 | -58.9 | -169.7 | -177.3 | -155.5 | 0 | 111.8 | S23 D26 E27 Q41 W42 D50 | S23-K29 PolarHBondContact N-O 2.86Å; D26-K29 HydrophobicContact CB-CD 4.31Å; D26-K29 HydrophobicContact CB-CG 4.21Å; D26-K29 PolarHBondContact O-N 3.48Å; D26-K29 WeakPolarHBondContact OD2-CE 3.3Å; E27-K29 PolarHBondContact O-N 3.47Å; K29-Q41 HydrophobicContact CB-CG 4.35Å; K29-Q41 HydrophobicContact CD-CG 4.43Å; K29-W42 CarbonylContact C-O 3.59Å; K29-W42 VanDerWaalsContact CA-O 3.3Å; K29-W42 WeakPolarHBondContact CA-O 3.15Å; K29-D50 WeakPolarHBondContact CE-OD2 3.39Å; K29-D50 IonicContact NZ-OD2 3.74Å; K29-D50 PolarHBondContact NZ-OD2 3.45Å |
| 30 | L | 93.2 | Very high | 91.9 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.1 | 175.1 | -59.4 | -178.2 | 0 | 0 | 0 | 110.8 | L20 S21 D22 Q41 W42 L44 | L20-L30 HydrophobicContact CD1-CB 4.5Å; L20-L30 HydrophobicContact CD1-CD1 4.33Å; S21-L30 CarbonylContact O-C 3.55Å; S21-L30 WeakPolarHBondContact O-CA 3.44Å; D22-L30 WeakPolarHBondContact OD1-CD2 3.42Å; L30-Q41 CarbonylContact O-C 3.55Å; L30-Q41 VanDerWaalsContact O-CA 3.3Å; L30-Q41 WeakPolarHBondContact O-CA 3.35Å; L30-W42 HydrophobicContact CB-CB 4.4Å; L30-W42 PolarHBondContact N-O 3.49Å; L30-W42 PolarHBondContact O-N 3.4Å; L30-L44 HydrophobicContact CD1-CD1 4.31Å; L30-L44 HydrophobicContact CD1-CD2 3.7Å; L30-L44 HydrophobicContact CD1-CG 4.23Å; L30-L44 HydrophobicContact CD2-CD1 4.22Å; L30-L44 HydrophobicContact CG-CD1 3.96Å; L30-L44 HydrophobicContact CG-CD2 4.06Å; L30-L44 HydrophobicContact CG-CG 4.03Å |
| 31 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.7 | 162.6 | -164.1 | 71 | 0 | 0 | 0 | 109 | L20 S21 I39 V40 Q41 F51 V62 W64 F71 | L20-L31 WeakPolarHBondContact CA-O 3.33Å; S21-L31 PolarHBondContact N-O 3.2Å; S21-L31 VanDerWaalsContact N-O 3.09Å; S21-L31 PolarHBondContact O-N 2.84Å; L31-I39 HydrophobicContact CD1-CG2 3.54Å; L31-I39 HydrophobicContact CD2-CG2 4.45Å; L31-I39 HydrophobicContact CG-CG2 3.95Å; L31-V40 WeakPolarHBondContact CA-O 3.29Å; L31-Q41 HydrophobicContact CD1-CB 4.4Å; L31-F51 HydrophobicContact CD1-CZ 4.44Å; L31-V62 HydrophobicContact CD2-CG1 3.77Å; L31-W64 HydrophobicContact CB-CZ2 3.6Å; L31-W64 HydrophobicContact CD1-CH2 4.42Å; L31-W64 HydrophobicContact CD1-CZ2 4.24Å; L31-W64 HydrophobicContact CD2-CH2 4.28Å; L31-W64 HydrophobicContact CD2-CZ2 3.77Å; L31-W64 HydrophobicContact CG-CZ2 4.09Å; L31-F71 HydrophobicContact CD1-CE1 4.31Å; L31-F71 HydrophobicContact CD2-CB 4.33Å; L31-F71 HydrophobicContact CD2-CD1 4.07Å; L31-F71 HydrophobicContact CD2-CD2 4.18Å; L31-F71 HydrophobicContact CD2-CE1 4.44Å; L31-F71 HydrophobicContact CD2-CG 3.93Å |
| 32 | V | 96.2 | Very high | 91.8 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.8 | 177.5 | -168.1 | 0 | 0 | 0 | 0 | 108.1 | V17 H19 L20 F34 I39 V40 | V17-V32 HydrophobicContact CG1-CG1 3.89Å; V17-V32 HydrophobicContact CG2-CG1 3.93Å; H19-V32 WeakPolarHBondContact O-CA 3.36Å; L20-V32 HydrophobicContact CD1-CG2 3.79Å; V32-F34 HydrophobicContact CB-CE2 4.24Å; V32-F34 HydrophobicContact CG1-CD2 4.31Å; V32-F34 HydrophobicContact CG1-CE1 4.44Å; V32-F34 HydrophobicContact CG1-CE2 3.67Å; V32-F34 HydrophobicContact CG1-CZ 3.75Å; V32-I39 CarbonylContact O-C 3.48Å; V32-I39 WeakPolarHBondContact O-CA 3.44Å; V32-V40 HydrophobicContact CB-CB 4.42Å; V32-V40 PolarHBondContact N-O 2.65Å; V32-V40 PolarHBondContact O-N 3.26Å |
| 33 | G | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V17 V18 H19 | V17-G33 WeakPolarHBondContact CA-O 3.35Å; V18-G33 WeakPolarHBondContact CG2-O 2.69Å; V18-G33 PolarHBondContact N-O 2.8Å; H19-G33 PolarHBondContact N-O 2.91Å; H19-G33 PolarHBondContact O-N 2.89Å |
| 34 | F | 94.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147 | 175.9 | -62.9 | -91.8 | 0 | 0 | 0 | 110.6 | I6 P14 P16 V17 V32 G36 G37 T38 V40 | I6-F34 HydrophobicContact CD1-CE1 3.94Å; I6-F34 HydrophobicContact CD1-CZ 4.12Å; I6-F34 HydrophobicContact CG1-CE1 4.19Å; I6-F34 HydrophobicContact CG1-CE2 4.44Å; I6-F34 HydrophobicContact CG1-CZ 3.87Å; P14-F34 HydrophobicContact CB-CB 3.88Å; P14-F34 HydrophobicContact CB-CD1 4.31Å; P14-F34 HydrophobicContact CB-CG 4.04Å; P14-F34 HydrophobicContact CG-CB 4.46Å; P14-F34 HydrophobicContact CG-CD1 3.98Å; P14-F34 HydrophobicContact CG-CE1 4.35Å; P14-F34 HydrophobicContact CG-CG 4.12Å; P14-F34 WeakPolarHBondContact O-CB 3.04Å; P16-F34 WeakPolarHBondContact O-CA 3.48Å; V17-F34 HydrophobicContact CG2-CD1 3.9Å; V17-F34 HydrophobicContact CG2-CE1 3.52Å; V17-F34 HydrophobicContact CG2-CZ 4.15Å; V32-F34 HydrophobicContact CB-CE2 4.24Å; V32-F34 HydrophobicContact CG1-CD2 4.31Å; V32-F34 HydrophobicContact CG1-CE1 4.44Å; V32-F34 HydrophobicContact CG1-CE2 3.67Å; V32-F34 HydrophobicContact CG1-CZ 3.75Å; F34-G36 PolarHBondContact O-N 3.3Å; F34-G37 PolarHBondContact O-N 3.11Å; F34-G37 VanDerWaalsContact O-N 3.16Å; F34-T38 HydrophobicContact CD2-CG2 4.21Å; F34-T38 PolarHBondContact N-O 2.91Å; F34-V40 HydrophobicContact CD2-CG2 4.43Å; F34-V40 HydrophobicContact CE2-CG2 3.88Å |
| 35 | E | 95 | Very high | 91.2 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -41.8 | -176.8 | -173.2 | -178.2 | -167.8 | 0 | 0 | 112.2 | P16 V18 G37 A58 I59 | P16-E35 WeakPolarHBondContact CD-OE2 3.46Å; P16-E35 HydrophobicContact CG-CB 4.07Å; P16-E35 VanDerWaalsContact CG-OE2 3.31Å; P16-E35 WeakPolarHBondContact CG-OE2 3.46Å; P16-E35 PolarHBondContact O-N 3.49Å; V18-E35 HydrophobicContact CG1-CB 3.7Å; V18-E35 HydrophobicContact CG1-CG 4.31Å; E35-G37 PolarHBondContact O-N 3.27Å; E35-A58 CarbonylContact O-C 3.54Å; E35-A58 WeakPolarHBondContact O-CA 3.16Å; E35-A58 WeakPolarHBondContact O-CB 3.46Å; E35-I59 PolarHBondContact O-N 2.98Å |
| 36 | G | 93.1 | Very high | 91.3 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 47% | 0.474 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 22 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P14 F34 T38 | P14-G36 WeakPolarHBondContact O-CA 3.44Å; P14-G36 PolarHBondContact O-N 2.93Å; F34-G36 PolarHBondContact O-N 3.3Å; G36-T38 PolarHBondContact O-N 2.8Å |
| 37 | G | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 85 | 6.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F34 E35 Y55 | F34-G37 PolarHBondContact O-N 3.11Å; F34-G37 VanDerWaalsContact O-N 3.16Å; E35-G37 PolarHBondContact O-N 3.27Å; G37-Y55 WeakPolarHBondContact CA-O 3.06Å; G37-Y55 PolarHBondContact O-N 3.43Å |
| 38 | T | 93.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132 | 179.2 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | F34 G36 V40 I53 Y54 | F34-T38 HydrophobicContact CD2-CG2 4.21Å; F34-T38 PolarHBondContact N-O 2.91Å; G36-T38 PolarHBondContact O-N 2.8Å; T38-V40 HydrophobicContact CG2-CG2 4.18Å; T38-I53 CarbonylContact C-O 3.46Å; T38-I53 VanDerWaalsContact CA-O 3.32Å; T38-I53 WeakPolarHBondContact CA-O 3.44Å; T38-Y54 HydrophobicContact CG2-CD1 4.08Å; T38-Y54 HydrophobicContact CG2-CE1 3.86Å |
| 39 | I | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.5 | 174.9 | -53.5 | 174 | 0 | 0 | 0 | 109.7 | L31 V32 R52 I53 I59 F71 C73 | L31-I39 HydrophobicContact CD1-CG2 3.54Å; L31-I39 HydrophobicContact CD2-CG2 4.45Å; L31-I39 HydrophobicContact CG-CG2 3.95Å; V32-I39 CarbonylContact O-C 3.48Å; V32-I39 WeakPolarHBondContact O-CA 3.44Å; I39-R52 CarbonylContact O-C 3.6Å; I39-R52 WeakPolarHBondContact O-CA 3.05Å; I39-I53 HydrophobicContact CB-CB 4.15Å; I39-I53 PolarHBondContact N-O 2.89Å; I39-I53 PolarHBondContact O-N 3.44Å; I39-I59 HydrophobicContact CD1-CD1 3.76Å; I39-I59 HydrophobicContact CG1-CD1 3.49Å; I39-I59 VanDerWaalsContact CG1-CD1 3.49Å; I39-F71 HydrophobicContact CD1-CE2 3.58Å; I39-F71 HydrophobicContact CD1-CZ 4.1Å; I39-F71 HydrophobicContact CG2-CE2 4.36Å; I39-F71 HydrophobicContact CG2-CZ 4.13Å; I39-C73 WeakPolarHBondContact CD1-SG 3.46Å |
| 40 | V | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.4 | -177.1 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | L31 V32 F34 T38 A49 R52 | L31-V40 WeakPolarHBondContact CA-O 3.29Å; V32-V40 HydrophobicContact CB-CB 4.42Å; V32-V40 PolarHBondContact N-O 2.65Å; V32-V40 PolarHBondContact O-N 3.26Å; F34-V40 HydrophobicContact CD2-CG2 4.43Å; F34-V40 HydrophobicContact CE2-CG2 3.88Å; T38-V40 HydrophobicContact CG2-CG2 4.18Å; V40-A49 HydrophobicContact CG1-CB 3.66Å; V40-R52 HydrophobicContact CG1-CG 4.46Å; V40-R52 HydrophobicContact CG2-CG 4.19Å |
| 41 | Q | 94.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.6 | 160.9 | -176.7 | 167 | 48.5 | 0 | 0 | 108.9 | K29 L30 L31 A49 D50 F51 | K29-Q41 HydrophobicContact CB-CG 4.35Å; K29-Q41 HydrophobicContact CD-CG 4.43Å; L30-Q41 CarbonylContact O-C 3.55Å; L30-Q41 VanDerWaalsContact O-CA 3.3Å; L30-Q41 WeakPolarHBondContact O-CA 3.35Å; L31-Q41 HydrophobicContact CD1-CB 4.4Å; Q41-A49 CarbonylContact O-C 3.54Å; Q41-A49 WeakPolarHBondContact O-CA 3.29Å; Q41-D50 HydrophobicContact CB-CB 4.5Å; Q41-D50 HydrophobicContact CG-CB 4.47Å; Q41-D50 PolarHBondContact O-N 2.94Å; Q41-F51 HydrophobicContact CB-CD1 3.87Å; Q41-F51 HydrophobicContact CB-CD2 4.35Å; Q41-F51 HydrophobicContact CB-CE1 3.4Å; Q41-F51 VanDerWaalsContact CB-CE1 3.4Å; Q41-F51 HydrophobicContact CB-CE2 3.89Å; Q41-F51 HydrophobicContact CB-CG 4.33Å; Q41-F51 HydrophobicContact CB-CZ 3.39Å; Q41-F51 HydrophobicContact CG-CE1 4.16Å; Q41-F51 HydrophobicContact CG-CZ 4.41Å; Q41-F51 PolarHBondContact N-O 3.03Å |
| 42 | W | 92.9 | Very high | 91.5 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.8 | -176.2 | -176.5 | -96 | 0 | 0 | 0 | 110.8 | K4 A5 K29 L30 K47 K48 A49 | K4-W42 HydrophobicContact CB-CH2 3.6Å; K4-W42 HydrophobicContact CB-CZ3 3.93Å; A5-W42 HydrophobicContact CB-CE3 4.01Å; A5-W42 HydrophobicContact CB-CZ3 4.17Å; K29-W42 CarbonylContact C-O 3.59Å; K29-W42 VanDerWaalsContact CA-O 3.3Å; K29-W42 WeakPolarHBondContact CA-O 3.15Å; L30-W42 HydrophobicContact CB-CB 4.4Å; L30-W42 PolarHBondContact N-O 3.49Å; L30-W42 PolarHBondContact O-N 3.4Å; W42-K47 WeakPolarHBondContact CH2-O 3.4Å; W42-K47 HydrophobicContact CZ2-CB 4.16Å; W42-K47 WeakPolarHBondContact CZ2-O 3.22Å; W42-K48 VanDerWaalsContact CE3-C 3.43Å; W42-K48 VanDerWaalsContact CZ3-C 3.44Å; W42-A49 HydrophobicContact CE3-CB 4.2Å; W42-A49 HydrophobicContact CZ3-CB 4.45Å |
| 43 | D | 89.9 | Confident | 91.4 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 115.3 | 171.5 | -174.4 | -35.8 | 0 | 0 | 0 | 109 | R45 A46 K47 K48 | D43-R45 WeakPolarHBondContact OD1-CA 3.38Å; D43-R45 WeakPolarHBondContact OD1-CB 3.42Å; D43-R45 PolarHBondContact OD1-N 3.23Å; D43-A46 HydrophobicContact CB-CB 4.09Å; D43-A46 PolarHBondContact OD1-N 3.38Å; D43-K47 VanDerWaalsContact O-CA 3.29Å; D43-K47 WeakPolarHBondContact O-CA 3.44Å; D43-K47 PolarHBondContact O-N 2.84Å; D43-K48 PolarHBondContact N-O 2.94Å; D43-K48 PolarHBondContact O-N 3.39Å |
| 44 | L | 86.5 | Confident | 91.2 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -37.7 | -178.4 | -71.8 | 172.7 | 0 | 0 | 0 | 112.4 | G28 L30 K47 F920 L925 F926 | G28-L44 VanDerWaalsContact O-CB 3.29Å; G28-L44 WeakPolarHBondContact O-CB 3.47Å; G28-L44 PolarHBondContact O-N 2.9Å; L30-L44 HydrophobicContact CD1-CD1 4.31Å; L30-L44 HydrophobicContact CD1-CD2 3.7Å; L30-L44 HydrophobicContact CD1-CG 4.23Å; L30-L44 HydrophobicContact CD2-CD1 4.22Å; L30-L44 HydrophobicContact CG-CD1 3.96Å; L30-L44 HydrophobicContact CG-CD2 4.06Å; L30-L44 HydrophobicContact CG-CG 4.03Å; L44-K47 WeakPolarHBondContact O-CG 3.49Å; L44-F920 HydrophobicContact CB-CE2 4.36Å; L44-F920 HydrophobicContact CB-CZ 4.03Å; L44-F920 HydrophobicContact CD1-CE1 4.16Å; L44-F920 HydrophobicContact CD1-CZ 3.74Å; L44-L925 HydrophobicContact CB-CD2 3.8Å; L44-F926 HydrophobicContact CD1-CE2 4.18Å; L44-F926 HydrophobicContact CD1-CZ 3.92Å; L44-F926 HydrophobicContact CD2-CZ 3.83Å; L44-F926 HydrophobicContact CG-CZ 4.42Å |
| 45 | R | 83.8 | Confident | 91.2 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -50.4 | -178.9 | -67.3 | 178 | -87.8 | -129 | -7.9 | 110.3 | D26 D43 K47 F920 L925 | D26-R45 IonicContact OD1-NH2 2.83Å; D26-R45 PolarHBondContact OD1-NH2 2.86Å; D26-R45 IonicContact OD2-NH2 3.34Å; D26-R45 PolarHBondContact OD2-NH2 3.32Å; D43-R45 WeakPolarHBondContact OD1-CA 3.38Å; D43-R45 WeakPolarHBondContact OD1-CB 3.42Å; D43-R45 PolarHBondContact OD1-N 3.23Å; R45-K47 VanDerWaalsContact C-N 3.28Å; R45-K47 PolarHBondContact O-N 2.86Å; R45-F920 HydrophobicContact CG-CD2 4.08Å; R45-F920 HydrophobicContact CG-CE2 3.73Å; R45-L925 HydrophobicContact CG-CD1 4.42Å |
| 46 | A | 86.1 | Confident | 91 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -11.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D43 K48 | D43-A46 HydrophobicContact CB-CB 4.09Å; D43-A46 PolarHBondContact OD1-N 3.38Å; A46-K48 HydrophobicContact CB-CD 3.98Å; A46-K48 HydrophobicContact CB-CG 3.79Å; A46-K48 PolarHBondContact O-N 3.49Å |
| 47 | K | 85.5 | Confident | 91.1 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.7 | -177.7 | -59.2 | 178.7 | -178.6 | 177 | 0 | 111.8 | W42 D43 L44 R45 | W42-K47 WeakPolarHBondContact CH2-O 3.4Å; W42-K47 HydrophobicContact CZ2-CB 4.16Å; W42-K47 WeakPolarHBondContact CZ2-O 3.22Å; D43-K47 VanDerWaalsContact O-CA 3.29Å; D43-K47 WeakPolarHBondContact O-CA 3.44Å; D43-K47 PolarHBondContact O-N 2.84Å; L44-K47 WeakPolarHBondContact O-CG 3.49Å; R45-K47 VanDerWaalsContact C-N 3.28Å; R45-K47 PolarHBondContact O-N 2.86Å |
| 48 | K | 88.4 | Confident | 91.2 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.5 | -179.8 | 71.9 | -178.3 | -177.1 | 177.1 | 0 | 110.6 | W42 D43 A46 | W42-K48 VanDerWaalsContact CE3-C 3.43Å; W42-K48 VanDerWaalsContact CZ3-C 3.44Å; D43-K48 PolarHBondContact N-O 2.94Å; D43-K48 PolarHBondContact O-N 3.39Å; A46-K48 HydrophobicContact CB-CD 3.98Å; A46-K48 HydrophobicContact CB-CG 3.79Å; A46-K48 PolarHBondContact O-N 3.49Å |
| 49 | A | 90.5 | Very high | 91.4 | Very high | 17 Ų | 17 | 53 Ų | 53 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V40 Q41 W42 R52 | V40-A49 HydrophobicContact CG1-CB 3.66Å; Q41-A49 CarbonylContact O-C 3.54Å; Q41-A49 WeakPolarHBondContact O-CA 3.29Å; W42-A49 HydrophobicContact CE3-CB 4.2Å; W42-A49 HydrophobicContact CZ3-CB 4.45Å; A49-R52 HydrophobicContact CB-CG 4.37Å; A49-R52 VanDerWaalsContact CB-NH2 3.29Å |
| 50 | D | 90.5 | Very high | 91.5 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -42.5 | 171.4 | -80.3 | -11.4 | 0 | 0 | 0 | 110.9 | K29 Q41 | K29-D50 WeakPolarHBondContact CE-OD2 3.39Å; K29-D50 IonicContact NZ-OD2 3.74Å; K29-D50 PolarHBondContact NZ-OD2 3.45Å; Q41-D50 HydrophobicContact CB-CB 4.5Å; Q41-D50 HydrophobicContact CG-CB 4.47Å; Q41-D50 PolarHBondContact O-N 2.94Å |
| 51 | F | 91.4 | Very high | 91.6 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 165.6 | 171.5 | 64.4 | -105.2 | 0 | 0 | 0 | 111.5 | L31 Q41 I53 L85 T88 | L31-F51 HydrophobicContact CD1-CZ 4.44Å; Q41-F51 HydrophobicContact CB-CD1 3.87Å; Q41-F51 HydrophobicContact CB-CD2 4.35Å; Q41-F51 HydrophobicContact CB-CE1 3.4Å; Q41-F51 VanDerWaalsContact CB-CE1 3.4Å; Q41-F51 HydrophobicContact CB-CE2 3.89Å; Q41-F51 HydrophobicContact CB-CG 4.33Å; Q41-F51 HydrophobicContact CB-CZ 3.39Å; Q41-F51 HydrophobicContact CG-CE1 4.16Å; Q41-F51 HydrophobicContact CG-CZ 4.41Å; Q41-F51 PolarHBondContact N-O 3.03Å; F51-I53 HydrophobicContact CD2-CD1 4.1Å; F51-I53 HydrophobicContact CD2-CG1 4.06Å; F51-I53 HydrophobicContact CE2-CD1 3.69Å; F51-I53 HydrophobicContact CE2-CG1 4.14Å; F51-L85 HydrophobicContact CE1-CD2 3.66Å; F51-L85 HydrophobicContact CZ-CD2 3.48Å; F51-L85 VanDerWaalsContact CZ-CD2 3.48Å; F51-T88 HydrophobicContact CD1-CG2 4.18Å; F51-T88 HydrophobicContact CD2-CG2 4.02Å; F51-T88 HydrophobicContact CE1-CG2 4.28Å; F51-T88 HydrophobicContact CE2-CG2 4.19Å; F51-T88 HydrophobicContact CG-CG2 4.04Å; F51-T88 HydrophobicContact CZ-CG2 4.31Å |
| 52 | R | 91.9 | Very high | 91.8 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.9 | 169.8 | -60.5 | -177.6 | 179.4 | 76.3 | -1.4 | 108.9 | K4 A5 I39 V40 A49 Y54 | K4-R52 PolarHBondContact O-NH2 3.03Å; A5-R52 PolarHBondContact O-NE 3.07Å; A5-R52 PolarHBondContact O-NH2 2.95Å; I39-R52 CarbonylContact O-C 3.6Å; I39-R52 WeakPolarHBondContact O-CA 3.05Å; V40-R52 HydrophobicContact CG1-CG 4.46Å; V40-R52 HydrophobicContact CG2-CG 4.19Å; A49-R52 HydrophobicContact CB-CG 4.37Å; A49-R52 VanDerWaalsContact CB-NH2 3.29Å; R52-Y54 HydrophobicContact CB-CE2 4.2Å |
| 53 | I | 93.8 | Very high | 92 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.9 | 172.8 | -68.8 | 162.2 | 0 | 0 | 0 | 106.9 | T38 I39 F51 F71 W83 T88 | T38-I53 CarbonylContact C-O 3.46Å; T38-I53 VanDerWaalsContact CA-O 3.32Å; T38-I53 WeakPolarHBondContact CA-O 3.44Å; I39-I53 HydrophobicContact CB-CB 4.15Å; I39-I53 PolarHBondContact N-O 2.89Å; I39-I53 PolarHBondContact O-N 3.44Å; F51-I53 HydrophobicContact CD2-CD1 4.1Å; F51-I53 HydrophobicContact CD2-CG1 4.06Å; F51-I53 HydrophobicContact CE2-CD1 3.69Å; F51-I53 HydrophobicContact CE2-CG1 4.14Å; I53-F71 HydrophobicContact CD1-CE1 4.43Å; I53-F71 HydrophobicContact CD1-CZ 3.74Å; I53-W83 HydrophobicContact CB-CZ3 4.46Å; I53-W83 HydrophobicContact CD1-CD2 4.17Å; I53-W83 HydrophobicContact CD1-CE3 3.75Å; I53-W83 HydrophobicContact CD1-CZ3 4.17Å; I53-W83 HydrophobicContact CG1-CE3 4.3Å; I53-W83 HydrophobicContact CG1-CZ3 4.22Å; I53-W83 HydrophobicContact CG2-CD2 4.39Å; I53-W83 HydrophobicContact CG2-CE3 4Å; I53-W83 HydrophobicContact CG2-CH2 3.26Å; I53-W83 HydrophobicContact CG2-CZ2 3.75Å; I53-W83 HydrophobicContact CG2-CZ3 3.41Å; I53-W83 VanDerWaalsContact CG2-CZ3 3.41Å; I53-T88 HydrophobicContact CD1-CG2 4.02Å; I53-T88 HydrophobicContact CG1-CG2 4.28Å |
| 54 | Y | 92.1 | Very high | 92.2 | Very high | 116 Ų | 116 | 54 Ų | 54 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.7 | 171.1 | -58.3 | -76.7 | 0 | 0 | 0 | 107.4 | T38 R52 | T38-Y54 HydrophobicContact CG2-CD1 4.08Å; T38-Y54 HydrophobicContact CG2-CE1 3.86Å; R52-Y54 HydrophobicContact CB-CE2 4.2Å |
| 55 | Y | 93.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | trans | -122.7 | 142.5 | 176.3 | -165.7 | -112.9 | 0 | 0 | 0 | 109.2 | G37 E57 H75 T81 W83 P91 | G37-Y55 WeakPolarHBondContact CA-O 3.06Å; G37-Y55 PolarHBondContact O-N 3.43Å; Y55-E57 VanDerWaalsContact C-N 3.28Å; Y55-E57 HydrophobicContact CD1-CB 3.91Å; Y55-E57 HydrophobicContact CE1-CB 3.71Å; Y55-E57 HydrophobicContact CE1-CG 4.03Å; Y55-E57 PolarHBondContact O-N 3.4Å; Y55-H75 AromaticContact CD1-CE1 3.32Å; Y55-H75 WeakPolarHBondContact CD1-CE1 3.46Å; Y55-H75 AromaticContact CD1-ND1 3.69Å; Y55-H75 AromaticContact CD1-NE2 3.95Å; Y55-H75 AromaticContact CE1-CE1 3.49Å; Y55-H75 VanDerWaalsContact CE1-CE1 3.49Å; Y55-H75 WeakPolarHBondContact CE1-CE1 3.3Å; Y55-H75 AromaticContact CE1-ND1 3.76Å; Y55-H75 AromaticContact CE1-NE2 3.7Å; Y55-T81 HydrophobicContact CE1-CG2 3.83Å; Y55-T81 HydrophobicContact CE2-CG2 4.18Å; Y55-T81 WeakPolarHBondContact OH-CG2 3.1Å; Y55-W83 AromaticContact CD2-CH2 3.97Å; Y55-W83 HydrophobicContact CD2-CH2 3.97Å; Y55-W83 AromaticContact CD2-CZ2 3.62Å; Y55-W83 HydrophobicContact CD2-CZ2 3.62Å; Y55-W83 HydrophobicContact CE2-CZ2 4.27Å; Y55-W83 AromaticContact CG-CZ2 3.99Å; Y55-W83 HydrophobicContact CG-CZ2 3.99Å; Y55-P91 HydrophobicContact CE2-CG 4.01Å | ||
| 56 | D | 91.9 | Very high | 92.9 | Very high | 163 Ų | 163 | 50.7 Ų | 50.7 | 87% | 0.872 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -74.2 | -21 | -169.8 | -64.7 | -30.5 | 0 | 0 | 0 | 113 | ||
| 57 | E | 94.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -99 | 138.6 | -179.6 | -62.3 | -62 | 150.1 | 0 | 0 | 112.4 | Y55 H75 D77 | Y55-E57 VanDerWaalsContact C-N 3.28Å; Y55-E57 HydrophobicContact CD1-CB 3.91Å; Y55-E57 HydrophobicContact CE1-CB 3.71Å; Y55-E57 HydrophobicContact CE1-CG 4.03Å; Y55-E57 PolarHBondContact O-N 3.4Å; E57-H75 HydrophobicContact CB-CB 4.05Å; E57-H75 PolarHBondContact O-ND1 3.27Å; E57-D77 HydrophobicContact CG-CB 4.46Å |
| 58 | A | 95.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 138.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | E35 H75 S76 | E35-A58 CarbonylContact O-C 3.54Å; E35-A58 WeakPolarHBondContact O-CA 3.16Å; E35-A58 WeakPolarHBondContact O-CB 3.46Å; A58-H75 VanDerWaalsContact O-CA 3.24Å; A58-H75 WeakPolarHBondContact O-CA 2.91Å; A58-S76 WeakPolarHBondContact CB-OG 3.37Å; A58-S76 PolarHBondContact O-N 2.92Å; A58-S76 VanDerWaalsContact O-N 3.16Å |
| 59 | I | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.4 | -176.4 | -63.9 | 161.8 | 0 | 0 | 0 | 109.5 | V18 E35 I39 V62 S74 | V18-I59 HydrophobicContact CG2-CB 4.25Å; V18-I59 HydrophobicContact CG2-CG2 3.96Å; E35-I59 PolarHBondContact O-N 2.98Å; I39-I59 HydrophobicContact CD1-CD1 3.76Å; I39-I59 HydrophobicContact CG1-CD1 3.49Å; I39-I59 VanDerWaalsContact CG1-CD1 3.49Å; I59-V62 HydrophobicContact CG2-CG2 3.89Å; I59-S74 WeakPolarHBondContact CA-O 3.29Å |
| 60 | H | 96.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -38.3 | 173.3 | -69.9 | -70.4 | 0 | 0 | 0 | 113.6 | S74 S76 I113 L114 | H60-S74 PolarHBondContact N-O 2.89Å; H60-S76 PolarHBondContact NE2-OG 3.49Å; H60-I113 WeakPolarHBondContact CB-O 3.44Å; H60-L114 WeakPolarHBondContact CB-O 3.3Å |
| 61 | S | 97 | Very high | 94.1 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 148.5 | -178 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | C73 S74 V116 | S61-C73 WeakPolarHBondContact O-CA 3.42Å; S61-S74 WeakPolarHBondContact CB-OG 3.34Å; S61-S74 PolarHBondContact N-OG 3.43Å; S61-S74 VanDerWaalsContact N-OG 3.09Å; S61-S74 PolarHBondContact O-N 2.95Å; S61-S74 PolarHBondContact O-OG 3.38Å; S61-V116 PolarHBondContact OG-N 2.84Å; S61-V116 PolarHBondContact OG-O 3.27Å |
| 62 | V | 97.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.2 | 176.8 | -175 | 0 | 0 | 0 | 0 | 109.8 | H19 L31 I59 F71 M72 C73 | H19-V62 HydrophobicContact CB-CB 4.1Å; H19-V62 HydrophobicContact CB-CG2 3.87Å; H19-V62 PolarHBondContact CE1-O 3.41Å; H19-V62 PolarHBondContact ND1-O 3.41Å; L31-V62 HydrophobicContact CD2-CG1 3.77Å; I59-V62 HydrophobicContact CG2-CG2 3.89Å; V62-F71 HydrophobicContact CG1-CB 4.17Å; V62-F71 HydrophobicContact CG1-CD2 3.71Å; V62-F71 HydrophobicContact CG1-CG 4.24Å; V62-M72 CarbonylContact C-O 3.57Å; V62-M72 WeakPolarHBondContact CA-O 3.29Å; V62-M72 WeakPolarHBondContact CG1-O 3.42Å; V62-C73 HydrophobicContact CG2-CB 4.5Å |
| 63 | S | 96.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.2 | 175 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | F71 M72 Y118 | S63-F71 CarbonylContact O-C 3.38Å; S63-F71 VanDerWaalsContact O-CA 3.31Å; S63-F71 WeakPolarHBondContact O-CA 3.33Å; S63-M72 PolarHBondContact N-O 3.28Å; S63-M72 PolarHBondContact O-N 2.88Å; S63-Y118 PolarHBondContact OG-N 3.39Å; S63-Y118 PolarHBondContact OG-O 3.36Å |
| 64 | W | 95.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 8% | 0.076 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.5 | 178.7 | -81.1 | 110.5 | 0 | 0 | 0 | 112.5 | S21 D22 P24 L31 Q70 F71 L85 | S21-W64 PolarHBondContact OG-NE1 3.01Å; D22-W64 PolarHBondContact O-NE1 2.72Å; P24-W64 HydrophobicContact CG-CB 3.74Å; P24-W64 HydrophobicContact CG-CD2 4.22Å; P24-W64 HydrophobicContact CG-CG 3.85Å; L31-W64 HydrophobicContact CB-CZ2 3.6Å; L31-W64 HydrophobicContact CD1-CH2 4.42Å; L31-W64 HydrophobicContact CD1-CZ2 4.24Å; L31-W64 HydrophobicContact CD2-CH2 4.28Å; L31-W64 HydrophobicContact CD2-CZ2 3.77Å; L31-W64 HydrophobicContact CG-CZ2 4.09Å; W64-Q70 VanDerWaalsContact CE3-O 3.31Å; W64-F71 HydrophobicContact CD2-CB 4.23Å; W64-F71 HydrophobicContact CE3-CB 3.88Å; W64-F71 HydrophobicContact CE3-CD1 4.45Å; W64-F71 HydrophobicContact CH2-CD1 4.34Å; W64-F71 HydrophobicContact CZ3-CB 4.27Å; W64-F71 AromaticContact CZ3-CD1 3.99Å; W64-F71 HydrophobicContact CZ3-CD1 3.99Å; W64-L85 HydrophobicContact CH2-CD1 4.16Å; W64-L85 HydrophobicContact CH2-CD2 4.3Å; W64-L85 HydrophobicContact CZ3-CD1 4.12Å; W64-L85 HydrophobicContact CZ3-CD2 4.35Å |
| 65 | H | 94.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 13% | 0.13 | 16% | 0.163 | C | C | . | . | trans | -73.8 | 141.6 | 154.8 | -170 | -85.3 | 0 | 0 | 0 | 109.2 | E67 G68 Q70 Y118 T120 | H65-E67 VanDerWaalsContact C-N 3.29Å; H65-E67 PolarHBondContact ND1-N 3.44Å; H65-E67 PolarHBondContact O-N 3.39Å; H65-G68 WeakPolarHBondContact O-CA 3.35Å; H65-G68 PolarHBondContact O-N 3.39Å; H65-Q70 HydrophobicContact CB-CB 4.01Å; H65-Q70 VanDerWaalsContact CB-O 3.24Å; H65-Q70 WeakPolarHBondContact CB-O 3.48Å; H65-Q70 PolarHBondContact N-O 3.4Å; H65-Y118 HydrophobicContact CB-CD1 4.29Å; H65-Y118 HydrophobicContact CB-CE1 3.8Å; H65-Y118 AromaticContact CD2-CE1 3.54Å; H65-Y118 AromaticContact CD2-CZ 3.84Å; H65-Y118 PolarHBondContact CD2-OH 3.45Å; H65-T120 WeakPolarHBondContact NE2-CG2 3.38Å | ||
| 66 | H | 91.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 12% | 0.116 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.8 | -176.2 | 71 | 104 | 0 | 0 | 0 | 114.8 | P24 G68 T120 N174 N175 E176 | P24-H66 VanDerWaalsContact CB-O 3.25Å; P24-H66 WeakPolarHBondContact CB-O 3.29Å; H66-G68 PolarHBondContact O-N 2.9Å; H66-T120 VanDerWaalsContact CD2-CG2 3.42Å; H66-T120 WeakPolarHBondContact CD2-CG2 3.37Å; H66-T120 PolarHBondContact CD2-OG1 2.86Å; H66-T120 PolarHBondContact NE2-OG1 3Å; H66-N174 WeakPolarHBondContact CA-O 3.37Å; H66-N174 WeakPolarHBondContact CB-O 3.34Å; H66-N175 WeakPolarHBondContact O-CA 3.14Å; H66-E176 WeakPolarHBondContact CB-O 3.41Å |
| 67 | E | 91 | Very high | 95.3 | Very high | 92 Ų | 92 | 26.8 Ų | 26.8 | 43% | 0.43 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.4 | 173.2 | -68.4 | -166.2 | 164.1 | 0 | 0 | 114.9 | H65 K69 | H65-E67 VanDerWaalsContact C-N 3.29Å; H65-E67 PolarHBondContact ND1-N 3.44Å; H65-E67 PolarHBondContact O-N 3.39Å; E67-K69 HydrophobicContact CB-CG 4.34Å; E67-K69 PolarHBondContact O-N 2.92Å; E67-K69 IonicContact OE1-NZ 3.91Å; E67-K69 WeakPolarHBondContact OE2-CD 3.42Å; E67-K69 WeakPolarHBondContact OE2-CE 3.44Å; E67-K69 IonicContact OE2-NZ 3.87Å; E67-K69 PolarHBondContact OE2-NZ 2.91Å |
| 68 | G | 91.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 63.2 | 24.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | H65 H66 L85 | H65-G68 WeakPolarHBondContact O-CA 3.35Å; H65-G68 PolarHBondContact O-N 3.39Å; H66-G68 PolarHBondContact O-N 2.9Å; G68-L85 WeakPolarHBondContact O-CD1 3.4Å |
| 69 | K | 92.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 22 Ų | 22 | 34% | 0.335 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -104.7 | -13.8 | 175.2 | -61.5 | 179.6 | -161.5 | 143.8 | 0 | 113.2 | E67 L85 | E67-K69 HydrophobicContact CB-CG 4.34Å; E67-K69 PolarHBondContact O-N 2.92Å; E67-K69 IonicContact OE1-NZ 3.91Å; E67-K69 WeakPolarHBondContact OE2-CD 3.42Å; E67-K69 WeakPolarHBondContact OE2-CE 3.44Å; E67-K69 IonicContact OE2-NZ 3.87Å; E67-K69 PolarHBondContact OE2-NZ 2.91Å; K69-L85 WeakPolarHBondContact O-CG 3.32Å; K69-L85 PolarHBondContact O-N 2.87Å |
| 70 | Q | 94.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 22% | 0.215 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.2 | -176.2 | -62.1 | 178.7 | 0.5 | 0 | 0 | 109.7 | W64 H65 W83 N84 F92 | W64-Q70 VanDerWaalsContact CE3-O 3.31Å; H65-Q70 HydrophobicContact CB-CB 4.01Å; H65-Q70 VanDerWaalsContact CB-O 3.24Å; H65-Q70 WeakPolarHBondContact CB-O 3.48Å; H65-Q70 PolarHBondContact N-O 3.4Å; Q70-W83 WeakPolarHBondContact CA-O 3.34Å; Q70-W83 VanDerWaalsContact CB-O 3.29Å; Q70-W83 WeakPolarHBondContact CB-O 3.39Å; Q70-N84 HydrophobicContact CG-CB 4.41Å; Q70-F92 HydrophobicContact CG-CE1 4.28Å |
| 71 | F | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151.5 | 173.4 | 61.2 | -93.7 | 0 | 0 | 0 | 109.7 | L31 I39 I53 V62 S63 W64 C73 W83 L85 | L31-F71 HydrophobicContact CD1-CE1 4.31Å; L31-F71 HydrophobicContact CD2-CB 4.33Å; L31-F71 HydrophobicContact CD2-CD1 4.07Å; L31-F71 HydrophobicContact CD2-CD2 4.18Å; L31-F71 HydrophobicContact CD2-CE1 4.44Å; L31-F71 HydrophobicContact CD2-CG 3.93Å; I39-F71 HydrophobicContact CD1-CE2 3.58Å; I39-F71 HydrophobicContact CD1-CZ 4.1Å; I39-F71 HydrophobicContact CG2-CE2 4.36Å; I39-F71 HydrophobicContact CG2-CZ 4.13Å; I53-F71 HydrophobicContact CD1-CE1 4.43Å; I53-F71 HydrophobicContact CD1-CZ 3.74Å; V62-F71 HydrophobicContact CG1-CB 4.17Å; V62-F71 HydrophobicContact CG1-CD2 3.71Å; V62-F71 HydrophobicContact CG1-CG 4.24Å; S63-F71 CarbonylContact O-C 3.38Å; S63-F71 VanDerWaalsContact O-CA 3.31Å; S63-F71 WeakPolarHBondContact O-CA 3.33Å; W64-F71 HydrophobicContact CD2-CB 4.23Å; W64-F71 HydrophobicContact CE3-CB 3.88Å; W64-F71 HydrophobicContact CE3-CD1 4.45Å; W64-F71 HydrophobicContact CH2-CD1 4.34Å; W64-F71 HydrophobicContact CZ3-CB 4.27Å; W64-F71 AromaticContact CZ3-CD1 3.99Å; W64-F71 HydrophobicContact CZ3-CD1 3.99Å; F71-C73 VanDerWaalsContact CE2-SG 3.57Å; F71-W83 HydrophobicContact CD1-CB 4.22Å; F71-W83 HydrophobicContact CD2-CB 4.07Å; F71-W83 HydrophobicContact CD2-CG 4.32Å; F71-W83 HydrophobicContact CE1-CB 3.74Å; F71-W83 HydrophobicContact CE2-CB 3.56Å; F71-W83 AromaticContact CE2-CD1 3.47Å; F71-W83 VanDerWaalsContact CE2-CD1 3.47Å; F71-W83 AromaticContact CE2-CG 3.56Å; F71-W83 HydrophobicContact CE2-CG 3.56Å; F71-W83 HydrophobicContact CG-CB 4.38Å; F71-W83 HydrophobicContact CZ-CB 3.38Å; F71-W83 HydrophobicContact CZ-CD2 4.45Å; F71-W83 AromaticContact CZ-CG 3.68Å; F71-W83 HydrophobicContact CZ-CG 3.68Å; F71-W83 PolarHBondContact N-O 3.29Å; F71-W83 PolarHBondContact O-N 2.9Å; F71-L85 HydrophobicContact CD1-CD2 4Å; F71-L85 HydrophobicContact CE1-CD2 3.73Å |
| 72 | M | 97.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 7% | 0.074 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.4 | 178.1 | -174.3 | 171.1 | -67.9 | 0 | 0 | 110.3 | V62 S63 L80 T81 L82 V116 Y118 V128 | V62-M72 CarbonylContact C-O 3.57Å; V62-M72 WeakPolarHBondContact CA-O 3.29Å; V62-M72 WeakPolarHBondContact CG1-O 3.42Å; S63-M72 PolarHBondContact N-O 3.28Å; S63-M72 PolarHBondContact O-N 2.88Å; M72-L80 HydrophobicContact SD-CB 4.31Å; M72-L80 HydrophobicContact SD-CD1 4.09Å; M72-L80 HydrophobicContact SD-CD2 4.41Å; M72-T81 CarbonylContact C-O 3.56Å; M72-T81 VanDerWaalsContact CA-O 3.23Å; M72-T81 WeakPolarHBondContact CA-O 3.46Å; M72-L82 HydrophobicContact CB-CD1 3.86Å; M72-L82 HydrophobicContact CE-CD1 3.91Å; M72-L82 HydrophobicContact CG-CD1 4.47Å; M72-V116 HydrophobicContact CG-CG2 4.49Å; M72-V116 HydrophobicContact SD-CG2 3.85Å; M72-Y118 HydrophobicContact CB-CD1 4.42Å; M72-Y118 HydrophobicContact CB-CG 4.36Å; M72-Y118 HydrophobicContact CE-CD2 3.91Å; M72-Y118 HydrophobicContact CE-CE2 4.13Å; M72-Y118 HydrophobicContact CE-CG 4.25Å; M72-V128 HydrophobicContact CE-CG1 4.2Å; M72-V128 HydrophobicContact CE-CG2 3.79Å; M72-V128 HydrophobicContact SD-CG1 3.53Å; M72-V128 VanDerWaalsContact SD-CG1 3.53Å; M72-V128 HydrophobicContact SD-CG2 4.22Å |
| 73 | C | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.3 | 171.1 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | I39 S61 V62 F71 L80 T81 | I39-C73 WeakPolarHBondContact CD1-SG 3.46Å; S61-C73 WeakPolarHBondContact O-CA 3.42Å; V62-C73 HydrophobicContact CG2-CB 4.5Å; F71-C73 VanDerWaalsContact CE2-SG 3.57Å; C73-L80 CarbonylContact O-C 3.57Å; C73-L80 VanDerWaalsContact O-CA 3.3Å; C73-L80 WeakPolarHBondContact O-CA 3.4Å; C73-T81 WeakPolarHBondContact CB-OG1 3.2Å; C73-T81 PolarHBondContact N-O 3.32Å; C73-T81 PolarHBondContact O-N 3.35Å |
| 74 | S | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 146.8 | 171.4 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | I59 H60 S61 I113 | I59-S74 WeakPolarHBondContact CA-O 3.29Å; H60-S74 PolarHBondContact N-O 2.89Å; S61-S74 WeakPolarHBondContact CB-OG 3.34Å; S61-S74 PolarHBondContact N-OG 3.43Å; S61-S74 VanDerWaalsContact N-OG 3.09Å; S61-S74 PolarHBondContact O-N 2.95Å; S61-S74 PolarHBondContact O-OG 3.38Å; S74-I113 VanDerWaalsContact CB-CG2 3.49Å |
| 75 | H | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.8 | -167.1 | -59.8 | -76.3 | 0 | 0 | 0 | 114.5 | Y55 E57 A58 D77 G78 S79 T81 I113 | Y55-H75 AromaticContact CD1-CE1 3.32Å; Y55-H75 WeakPolarHBondContact CD1-CE1 3.46Å; Y55-H75 AromaticContact CD1-ND1 3.69Å; Y55-H75 AromaticContact CD1-NE2 3.95Å; Y55-H75 AromaticContact CE1-CE1 3.49Å; Y55-H75 VanDerWaalsContact CE1-CE1 3.49Å; Y55-H75 WeakPolarHBondContact CE1-CE1 3.3Å; Y55-H75 AromaticContact CE1-ND1 3.76Å; Y55-H75 AromaticContact CE1-NE2 3.7Å; E57-H75 HydrophobicContact CB-CB 4.05Å; E57-H75 PolarHBondContact O-ND1 3.27Å; A58-H75 VanDerWaalsContact O-CA 3.24Å; A58-H75 WeakPolarHBondContact O-CA 2.91Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 VanDerWaalsContact CB-OD1 3.24Å; H75-D77 WeakPolarHBondContact CB-OD1 3.41Å; H75-D77 PolarHBondContact O-N 3.49Å; H75-G78 PolarHBondContact O-N 2.89Å; H75-S79 PolarHBondContact CD2-O 2.86Å; H75-S79 PolarHBondContact CD2-OG 2.75Å; H75-S79 PolarHBondContact N-O 3.27Å; H75-S79 VanDerWaalsContact N-O 3.12Å; H75-T81 VanDerWaalsContact NE2-CG2 3.28Å; H75-T81 WeakPolarHBondContact NE2-CG2 3.31Å; H75-T81 PolarHBondContact NE2-OG1 3.38Å; H75-I113 PolarHBondContact O-N 2.97Å |
| 76 | S | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.3 | 179.8 | -66 | 0 | 0 | 0 | 0 | 114.6 | A58 H60 G78 P112 | A58-S76 WeakPolarHBondContact CB-OG 3.37Å; A58-S76 PolarHBondContact O-N 2.92Å; A58-S76 VanDerWaalsContact O-N 3.16Å; H60-S76 PolarHBondContact NE2-OG 3.49Å; S76-G78 PolarHBondContact O-N 2.98Å; S76-P112 WeakPolarHBondContact O-CA 3.46Å; S76-P112 WeakPolarHBondContact O-CG 3.46Å |
| 77 | D | 92.9 | Very high | 94.4 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.2 | 177.2 | 72.2 | -23.1 | 0 | 0 | 0 | 113.4 | E57 H75 S79 F96 | E57-D77 HydrophobicContact CG-CB 4.46Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 VanDerWaalsContact CB-OD1 3.24Å; H75-D77 WeakPolarHBondContact CB-OD1 3.41Å; H75-D77 PolarHBondContact O-N 3.49Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 3.42Å; D77-S79 PolarHBondContact OD1-OG 2.97Å; D77-S79 PolarHBondContact OD2-OG 2.82Å; D77-F96 WeakPolarHBondContact OD2-CE1 3.19Å; D77-F96 WeakPolarHBondContact OD2-CZ 3.32Å |
| 78 | G | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 78.5 | 14.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H75 S76 K111 I113 | H75-G78 PolarHBondContact O-N 2.89Å; S76-G78 PolarHBondContact O-N 2.98Å; G78-K111 VanDerWaalsContact CA-O 3.22Å; G78-K111 WeakPolarHBondContact CA-O 3.47Å; G78-I113 WeakPolarHBondContact O-CD1 3.2Å |
| 79 | S | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -90.8 | 158.3 | 175.3 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | H75 D77 T95 | H75-S79 PolarHBondContact CD2-O 2.86Å; H75-S79 PolarHBondContact CD2-OG 2.75Å; H75-S79 PolarHBondContact N-O 3.27Å; H75-S79 VanDerWaalsContact N-O 3.12Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 3.42Å; D77-S79 PolarHBondContact OD1-OG 2.97Å; D77-S79 PolarHBondContact OD2-OG 2.82Å; S79-T95 CarbonylContact C-O 3.42Å; S79-T95 WeakPolarHBondContact CA-O 3.21Å | ||
| 80 | L | 97.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.8 | 167.7 | -63.4 | 176.5 | 0 | 0 | 0 | 109.1 | M72 C73 V94 T95 P97 I113 V116 V128 F130 M148 | M72-L80 HydrophobicContact SD-CB 4.31Å; M72-L80 HydrophobicContact SD-CD1 4.09Å; M72-L80 HydrophobicContact SD-CD2 4.41Å; C73-L80 CarbonylContact O-C 3.57Å; C73-L80 VanDerWaalsContact O-CA 3.3Å; C73-L80 WeakPolarHBondContact O-CA 3.4Å; L80-V94 WeakPolarHBondContact O-CA 3.48Å; L80-T95 PolarHBondContact N-O 2.86Å; L80-T95 PolarHBondContact O-N 3.34Å; L80-P97 HydrophobicContact CD1-CG 3.77Å; L80-P97 HydrophobicContact CG-CG 4.19Å; L80-I113 HydrophobicContact CD1-CD1 4.41Å; L80-I113 HydrophobicContact CD2-CD1 3.67Å; L80-I113 HydrophobicContact CD2-CG2 4.17Å; L80-I113 HydrophobicContact CG-CD1 3.73Å; L80-V116 HydrophobicContact CD2-CB 4.26Å; L80-V116 HydrophobicContact CD2-CG2 4.04Å; L80-V128 HydrophobicContact CD1-CG1 3.75Å; L80-F130 HydrophobicContact CD1-CD1 4.2Å; L80-F130 HydrophobicContact CD1-CE1 4.2Å; L80-M148 HydrophobicContact CD1-SD 4.37Å |
| 81 | T | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.3 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | Y55 M72 C73 H75 W83 P91 Q93 V94 | Y55-T81 HydrophobicContact CE1-CG2 3.83Å; Y55-T81 HydrophobicContact CE2-CG2 4.18Å; Y55-T81 WeakPolarHBondContact OH-CG2 3.1Å; M72-T81 CarbonylContact C-O 3.56Å; M72-T81 VanDerWaalsContact CA-O 3.23Å; M72-T81 WeakPolarHBondContact CA-O 3.46Å; C73-T81 WeakPolarHBondContact CB-OG1 3.2Å; C73-T81 PolarHBondContact N-O 3.32Å; C73-T81 PolarHBondContact O-N 3.35Å; H75-T81 VanDerWaalsContact NE2-CG2 3.28Å; H75-T81 WeakPolarHBondContact NE2-CG2 3.31Å; H75-T81 PolarHBondContact NE2-OG1 3.38Å; T81-W83 PolarHBondContact OG1-NE1 3.14Å; T81-P91 HydrophobicContact CG2-CB 4.33Å; T81-P91 HydrophobicContact CG2-CG 4.36Å; T81-Q93 WeakPolarHBondContact CA-O 3.36Å; T81-V94 HydrophobicContact CG2-CG1 4.15Å; T81-V94 HydrophobicContact CG2-CG2 4.12Å |
| 82 | L | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.7 | 176.6 | -160.5 | 62.4 | 0 | 0 | 0 | 109.7 | M72 F92 Q93 Y118 | M72-L82 HydrophobicContact CB-CD1 3.86Å; M72-L82 HydrophobicContact CE-CD1 3.91Å; M72-L82 HydrophobicContact CG-CD1 4.47Å; L82-F92 HydrophobicContact CB-CD1 4.49Å; L82-F92 HydrophobicContact CB-CE1 3.95Å; L82-F92 HydrophobicContact CB-CZ 4.04Å; L82-F92 HydrophobicContact CD2-CE1 3.87Å; L82-F92 HydrophobicContact CD2-CE2 3.86Å; L82-F92 HydrophobicContact CD2-CZ 3.21Å; L82-F92 HydrophobicContact CG-CE1 3.53Å; L82-F92 HydrophobicContact CG-CE2 4.36Å; L82-F92 HydrophobicContact CG-CZ 3.46Å; L82-F92 VanDerWaalsContact CG-CZ 3.46Å; L82-F92 WeakPolarHBondContact O-CD1 3.39Å; L82-F92 PolarHBondContact O-N 3.34Å; L82-Q93 HydrophobicContact CB-CB 4.1Å; L82-Q93 PolarHBondContact N-O 2.83Å; L82-Y118 HydrophobicContact CD1-CE1 4.14Å |
| 83 | W | 96.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.8 | -173.9 | -64.9 | 85.4 | 0 | 0 | 0 | 111.1 | I53 Y55 Q70 F71 T81 K90 P91 | I53-W83 HydrophobicContact CB-CZ3 4.46Å; I53-W83 HydrophobicContact CD1-CD2 4.17Å; I53-W83 HydrophobicContact CD1-CE3 3.75Å; I53-W83 HydrophobicContact CD1-CZ3 4.17Å; I53-W83 HydrophobicContact CG1-CE3 4.3Å; I53-W83 HydrophobicContact CG1-CZ3 4.22Å; I53-W83 HydrophobicContact CG2-CD2 4.39Å; I53-W83 HydrophobicContact CG2-CE3 4Å; I53-W83 HydrophobicContact CG2-CH2 3.26Å; I53-W83 HydrophobicContact CG2-CZ2 3.75Å; I53-W83 HydrophobicContact CG2-CZ3 3.41Å; I53-W83 VanDerWaalsContact CG2-CZ3 3.41Å; Y55-W83 AromaticContact CD2-CH2 3.97Å; Y55-W83 HydrophobicContact CD2-CH2 3.97Å; Y55-W83 AromaticContact CD2-CZ2 3.62Å; Y55-W83 HydrophobicContact CD2-CZ2 3.62Å; Y55-W83 HydrophobicContact CE2-CZ2 4.27Å; Y55-W83 AromaticContact CG-CZ2 3.99Å; Y55-W83 HydrophobicContact CG-CZ2 3.99Å; Q70-W83 WeakPolarHBondContact CA-O 3.34Å; Q70-W83 VanDerWaalsContact CB-O 3.29Å; Q70-W83 WeakPolarHBondContact CB-O 3.39Å; F71-W83 HydrophobicContact CD1-CB 4.22Å; F71-W83 HydrophobicContact CD2-CB 4.07Å; F71-W83 HydrophobicContact CD2-CG 4.32Å; F71-W83 HydrophobicContact CE1-CB 3.74Å; F71-W83 HydrophobicContact CE2-CB 3.56Å; F71-W83 AromaticContact CE2-CD1 3.47Å; F71-W83 VanDerWaalsContact CE2-CD1 3.47Å; F71-W83 AromaticContact CE2-CG 3.56Å; F71-W83 HydrophobicContact CE2-CG 3.56Å; F71-W83 HydrophobicContact CG-CB 4.38Å; F71-W83 HydrophobicContact CZ-CB 3.38Å; F71-W83 HydrophobicContact CZ-CD2 4.45Å; F71-W83 AromaticContact CZ-CG 3.68Å; F71-W83 HydrophobicContact CZ-CG 3.68Å; F71-W83 PolarHBondContact N-O 3.29Å; F71-W83 PolarHBondContact O-N 2.9Å; T81-W83 PolarHBondContact OG1-NE1 3.14Å; W83-K90 VanDerWaalsContact CZ3-C 3.43Å; W83-P91 HydrophobicContact CD2-CB 4.12Å; W83-P91 HydrophobicContact CE3-CB 4.42Å; W83-P91 HydrophobicContact CH2-CB 4.35Å; W83-P91 VanDerWaalsContact CH2-CD 3.47Å; W83-P91 HydrophobicContact CH2-CG 4.3Å; W83-P91 HydrophobicContact CZ2-CB 4Å; W83-P91 HydrophobicContact CZ2-CG 4.13Å |
| 84 | N | 93.6 | Very high | 94 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.7 | 177 | -172.5 | -38.6 | 0 | 0 | 0 | 109.6 | Q70 R86 N87 F92 | Q70-N84 HydrophobicContact CG-CB 4.41Å; N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 VanDerWaalsContact O-N 3.09Å; N84-R86 WeakPolarHBondContact OD1-CB 3.4Å; N84-R86 PolarHBondContact OD1-N 3.38Å; N84-N87 CarbonylContact O-C 3.51Å; N84-N87 PolarHBondContact O-N 2.92Å; N84-F92 HydrophobicContact CB-CD1 3.86Å; N84-F92 HydrophobicContact CB-CE1 4.11Å |
| 85 | L | 90.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.4 | -177.5 | -57.1 | -173.4 | 0 | 0 | 0 | 113.6 | F51 W64 G68 K69 F71 | F51-L85 HydrophobicContact CE1-CD2 3.66Å; F51-L85 HydrophobicContact CZ-CD2 3.48Å; F51-L85 VanDerWaalsContact CZ-CD2 3.48Å; W64-L85 HydrophobicContact CH2-CD1 4.16Å; W64-L85 HydrophobicContact CH2-CD2 4.3Å; W64-L85 HydrophobicContact CZ3-CD1 4.12Å; W64-L85 HydrophobicContact CZ3-CD2 4.35Å; G68-L85 WeakPolarHBondContact O-CD1 3.4Å; K69-L85 WeakPolarHBondContact O-CG 3.32Å; K69-L85 PolarHBondContact O-N 2.87Å; F71-L85 HydrophobicContact CD1-CD2 4Å; F71-L85 HydrophobicContact CE1-CD2 3.73Å |
| 86 | R | 88.3 | Confident | 93.5 | Very high | 219 Ų | 219 | 54.8 Ų | 54.8 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27.3 | 174.4 | -66.7 | -175.2 | 178 | 178.1 | -0.7 | 113 | N84 | N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 VanDerWaalsContact O-N 3.09Å; N84-R86 WeakPolarHBondContact OD1-CB 3.4Å; N84-R86 PolarHBondContact OD1-N 3.38Å |
| 87 | N | 89.4 | Confident | 93.4 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -144.1 | 101.9 | 178.3 | -176.8 | 2.4 | 0 | 0 | 0 | 110.1 | N84 T89 | N84-N87 CarbonylContact O-C 3.51Å; N84-N87 PolarHBondContact O-N 2.92Å; N87-T89 PolarHBondContact OD1-N 2.89Å; N87-T89 VanDerWaalsContact OD1-N 3.14Å; N87-T89 PolarHBondContact OD1-OG1 2.86Å |
| 88 | T | 90.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | trans | -98.4 | 9 | -176.6 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | F51 I53 | F51-T88 HydrophobicContact CD1-CG2 4.18Å; F51-T88 HydrophobicContact CD2-CG2 4.02Å; F51-T88 HydrophobicContact CE1-CG2 4.28Å; F51-T88 HydrophobicContact CE2-CG2 4.19Å; F51-T88 HydrophobicContact CG-CG2 4.04Å; F51-T88 HydrophobicContact CZ-CG2 4.31Å; I53-T88 HydrophobicContact CD1-CG2 4.02Å; I53-T88 HydrophobicContact CG1-CG2 4.28Å | ||
| 89 | T | 90.3 | Very high | 92.8 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 72% | 0.718 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -75.2 | -27.7 | -177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | N87 | N87-T89 PolarHBondContact OD1-N 2.89Å; N87-T89 VanDerWaalsContact OD1-N 3.14Å; N87-T89 PolarHBondContact OD1-OG1 2.86Å |
| 90 | K | 92.4 | Very high | 92.1 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -155 | 153.5 | 176.9 | 62.7 | 179.9 | -179 | 179.3 | 0 | 109.7 | W83 | W83-K90 VanDerWaalsContact CZ3-C 3.43Š|
| 91 | P | 95.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 14% | 0.143 | 33% | 0.331 | C | S | . | . | trans | -63.3 | 141.2 | 170.1 | 28.6 | -33.4 | 0 | 0 | 0 | 108.9 | Y55 T81 W83 Q93 V94 | Y55-P91 HydrophobicContact CE2-CG 4.01Å; T81-P91 HydrophobicContact CG2-CB 4.33Å; T81-P91 HydrophobicContact CG2-CG 4.36Å; W83-P91 HydrophobicContact CD2-CB 4.12Å; W83-P91 HydrophobicContact CE3-CB 4.42Å; W83-P91 HydrophobicContact CH2-CB 4.35Å; W83-P91 VanDerWaalsContact CH2-CD 3.47Å; W83-P91 HydrophobicContact CH2-CG 4.3Å; W83-P91 HydrophobicContact CZ2-CB 4Å; W83-P91 HydrophobicContact CZ2-CG 4.13Å; P91-Q93 VanDerWaalsContact C-N 3.32Å; P91-V94 HydrophobicContact CB-CG2 4.12Å; P91-V94 HydrophobicContact CG-CG2 3.56Å | ||
| 92 | F | 94.7 | Very high | 89.8 | Confident | 103 Ų | 103 | 71.1 Ų | 71.1 | 45% | 0.452 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83 | -17.1 | 178 | 76.8 | -93.2 | 0 | 0 | 0 | 112 | Q70 L82 N84 | Q70-F92 HydrophobicContact CG-CE1 4.28Å; L82-F92 HydrophobicContact CB-CD1 4.49Å; L82-F92 HydrophobicContact CB-CE1 3.95Å; L82-F92 HydrophobicContact CB-CZ 4.04Å; L82-F92 HydrophobicContact CD2-CE1 3.87Å; L82-F92 HydrophobicContact CD2-CE2 3.86Å; L82-F92 HydrophobicContact CD2-CZ 3.21Å; L82-F92 HydrophobicContact CG-CE1 3.53Å; L82-F92 HydrophobicContact CG-CE2 4.36Å; L82-F92 HydrophobicContact CG-CZ 3.46Å; L82-F92 VanDerWaalsContact CG-CZ 3.46Å; L82-F92 WeakPolarHBondContact O-CD1 3.39Å; L82-F92 PolarHBondContact O-N 3.34Å; N84-F92 HydrophobicContact CB-CD1 3.86Å; N84-F92 HydrophobicContact CB-CE1 4.11Å |
| 93 | Q | 94.6 | Very high | 88.6 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.3 | 172.2 | -175 | 177.3 | -12.1 | 0 | 0 | 110.3 | T81 L82 P91 T95 | T81-Q93 WeakPolarHBondContact CA-O 3.36Å; L82-Q93 HydrophobicContact CB-CB 4.1Å; L82-Q93 PolarHBondContact N-O 2.83Å; P91-Q93 VanDerWaalsContact C-N 3.32Å; Q93-T95 PolarHBondContact NE2-OG1 2.68Å; Q93-T95 VanDerWaalsContact NE2-OG1 3.14Å |
| 94 | V | 94.8 | Very high | 87.5 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.7 | 170.4 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | L80 T81 P91 F96 | L80-V94 WeakPolarHBondContact O-CA 3.48Å; T81-V94 HydrophobicContact CG2-CG1 4.15Å; T81-V94 HydrophobicContact CG2-CG2 4.12Å; P91-V94 HydrophobicContact CB-CG2 4.12Å; P91-V94 HydrophobicContact CG-CG2 3.56Å; V94-F96 HydrophobicContact CG1-CD2 4.44Å; V94-F96 HydrophobicContact CG1-CE2 3.8Å |
| 95 | T | 93.3 | Very high | 86.4 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 23% | 0.233 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.6 | -176.4 | -49.3 | 0 | 0 | 0 | 0 | 109.1 | S79 L80 Q93 P97 M148 | S79-T95 CarbonylContact C-O 3.42Å; S79-T95 WeakPolarHBondContact CA-O 3.21Å; L80-T95 PolarHBondContact N-O 2.86Å; L80-T95 PolarHBondContact O-N 3.34Å; Q93-T95 PolarHBondContact NE2-OG1 2.68Å; Q93-T95 VanDerWaalsContact NE2-OG1 3.14Å; T95-P97 HydrophobicContact CG2-CG 4.37Å; T95-P97 WeakPolarHBondContact O-CD 3.46Å; T95-M148 HydrophobicContact CG2-CE 4.49Å |
| 96 | F | 92.4 | Very high | 85.5 | Confident | 48 Ų | 48 | 93.1 Ų | 93.1 | 21% | 0.211 | 46% | 0.458 | C | S | . | . | trans | -112 | 87.2 | 169.8 | -72.3 | -97.2 | 0 | 0 | 0 | 107 | D77 V94 H98 G99 K107 | D77-F96 WeakPolarHBondContact OD2-CE1 3.19Å; D77-F96 WeakPolarHBondContact OD2-CZ 3.32Å; V94-F96 HydrophobicContact CG1-CD2 4.44Å; V94-F96 HydrophobicContact CG1-CE2 3.8Å; F96-H98 PolarHBondContact O-N 2.83Å; F96-H98 VanDerWaalsContact O-N 3.1Å; F96-G99 PolarHBondContact O-N 2.79Å; F96-K107 HydrophobicContact CE2-CD 4.31Å; F96-K107 HydrophobicContact CZ-CD 4.29Å | ||
| 97 | P | 91.9 | Very high | 84.8 | Confident | 17 Ų | 17 | 88.9 Ų | 88.9 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -56.1 | -35.1 | -167.9 | -27.2 | 35.9 | 0 | 0 | 0 | 113.5 | L80 T95 F130 M148 I153 | L80-P97 HydrophobicContact CD1-CG 3.77Å; L80-P97 HydrophobicContact CG-CG 4.19Å; T95-P97 HydrophobicContact CG2-CG 4.37Å; T95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-F130 HydrophobicContact CB-CE1 4.17Å; P97-F130 HydrophobicContact CB-CZ 3.67Å; P97-F130 HydrophobicContact CG-CE1 4.06Å; P97-F130 HydrophobicContact CG-CZ 3.78Å; P97-M148 HydrophobicContact CB-SD 3.85Å; P97-M148 HydrophobicContact CG-SD 3.83Å; P97-I153 HydrophobicContact CB-CD1 4.47Å |
| 98 | H | 89.9 | Confident | 84.3 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 17% | 0.171 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -110.6 | -8.3 | -177.4 | -61.5 | -56.9 | 0 | 0 | 0 | 114.1 | F96 K100 F130 G133 T146 | F96-H98 PolarHBondContact O-N 2.83Å; F96-H98 VanDerWaalsContact O-N 3.1Å; H98-K100 PolarHBondContact O-N 3.27Å; H98-F130 AromaticContact CD2-CE2 3.92Å; H98-F130 AromaticContact CD2-CZ 3.97Å; H98-F130 AromaticContact NE2-CE2 3.62Å; H98-F130 AromaticContact NE2-CZ 3.51Å; H98-G133 WeakPolarHBondContact CB-O 3.29Å; H98-G133 PolarHBondContact CD2-O 3.39Å; H98-T146 PolarHBondContact NE2-OG1 3.41Å |
| 99 | G | 85 | Confident | 83.9 | Confident | 21 Ų | 21 | 88.3 Ų | 88.3 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | trans | -82.5 | 113.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F96 | F96-G99 PolarHBondContact O-N 2.79Š| ||
| 100 | K | 80.2 | Confident | 83.8 | Confident | 128 Ų | 128 | 83 Ų | 83 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 144.5 | 171.6 | -62.9 | -176.7 | 176.9 | -172.9 | 0 | 110.7 | H98 Q102 E108 | H98-K100 PolarHBondContact O-N 3.27Å; K100-Q102 PolarHBondContact O-N 3.49Å; K100-E108 WeakPolarHBondContact CB-OE2 3.12Å; K100-E108 PolarHBondContact N-OE2 3.35Å; K100-E108 WeakPolarHBondContact O-CB 3.43Å; K100-E108 PolarHBondContact O-N 3.38Å |
| 101 | I | 75 | Confident | 83.8 | Confident | 133 Ų | 133 | 79.6 Ų | 79.6 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -79.9 | 116.2 | 167.9 | -58.5 | 172 | 0 | 0 | 0 | 106.9 | ||
| 102 | Q | 70.9 | Confident | 83.7 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 162.7 | 177.9 | -62.7 | -173.7 | 21.4 | 0 | 0 | 110.9 | K100 D104 G105 R106 | K100-Q102 PolarHBondContact O-N 3.49Å; Q102-D104 WeakPolarHBondContact CB-OD1 3.32Å; Q102-D104 PolarHBondContact O-N 3.21Å; Q102-D104 VanDerWaalsContact O-N 3.1Å; Q102-G105 PolarHBondContact O-N 3.48Å; Q102-R106 VanDerWaalsContact CB-O 3.3Å; Q102-R106 WeakPolarHBondContact CB-O 3.35Å; Q102-R106 PolarHBondContact N-O 3.46Å |
| 103 | K | 70.6 | Confident | 83.8 | Confident | 231 Ų | 231 | 75.5 Ų | 75.5 | 100% | 1.004 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.6 | -176.3 | -72.1 | -175.2 | 177.7 | 179.8 | 0 | 113.8 | G105 | K103-G105 VanDerWaalsContact C-N 3.33Š|
| 104 | D | 74.4 | Confident | 83.7 | Confident | 95 Ų | 95 | 75.9 Ų | 75.9 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4.8 | 177 | 65 | -11.2 | 0 | 0 | 0 | 113.3 | Q102 R106 | Q102-D104 WeakPolarHBondContact CB-OD1 3.32Å; Q102-D104 PolarHBondContact O-N 3.21Å; Q102-D104 VanDerWaalsContact O-N 3.1Å; D104-R106 VanDerWaalsContact C-N 3.25Å; D104-R106 PolarHBondContact O-N 2.92Å; D104-R106 WeakPolarHBondContact OD1-CB 3.49Å; D104-R106 PolarHBondContact OD1-N 2.94Å; D104-R106 WeakPolarHBondContact OD2-CD 3.41Å; D104-R106 IonicContact OD2-NE 2.68Å |
| 105 | G | 70.1 | Confident | 83.8 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 79.6 | -0.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q102 K103 | Q102-G105 PolarHBondContact O-N 3.48Å; K103-G105 VanDerWaalsContact C-N 3.33Å |
| 106 | R | 72 | Confident | 84 | Confident | 181 Ų | 181 | 72.9 Ų | 72.9 | 68% | 0.683 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 139.4 | 175.7 | -65.8 | -175 | 176.7 | 174.5 | -1.4 | 110.3 | Q102 D104 | Q102-R106 VanDerWaalsContact CB-O 3.3Å; Q102-R106 WeakPolarHBondContact CB-O 3.35Å; Q102-R106 PolarHBondContact N-O 3.46Å; D104-R106 VanDerWaalsContact C-N 3.25Å; D104-R106 PolarHBondContact O-N 2.92Å; D104-R106 WeakPolarHBondContact OD1-CB 3.49Å; D104-R106 PolarHBondContact OD1-N 2.94Å; D104-R106 WeakPolarHBondContact OD2-CD 3.41Å; D104-R106 IonicContact OD2-NE 2.68Å |
| 107 | K | 71.9 | Confident | 84.2 | Confident | 130 Ų | 130 | 72.2 Ų | 72.2 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 134.6 | 175.5 | -67.6 | -179.2 | -178.9 | 178 | 0 | 109.3 | F96 S109 | F96-K107 HydrophobicContact CE2-CD 4.31Å; F96-K107 HydrophobicContact CZ-CD 4.29Å; K107-S109 PolarHBondContact O-N 3.06Å |
| 108 | E | 80.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 134.4 | 170 | -171 | 175.5 | -175.1 | 0 | 0 | 110.1 | K100 S135 | K100-E108 WeakPolarHBondContact CB-OE2 3.12Å; K100-E108 PolarHBondContact N-OE2 3.35Å; K100-E108 WeakPolarHBondContact O-CB 3.43Å; K100-E108 PolarHBondContact O-N 3.38Å; E108-S135 WeakPolarHBondContact OE1-CB 3.33Å; E108-S135 PolarHBondContact OE1-OG 3.14Å |
| 109 | S | 81.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 128.1 | 179 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | K107 Y136 | K107-S109 PolarHBondContact O-N 3.06Å; S109-Y136 WeakPolarHBondContact O-CD2 3.44Å; S109-Y136 PolarHBondContact O-N 2.66Å; S109-Y136 WeakPolarHBondContact OG-CD2 3.43Å; S109-Y136 WeakPolarHBondContact OG-CE2 3.41Å |
| 110 | C | 88.9 | Confident | 85 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -110.1 | 151.7 | 178 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | G133 Y136 | C110-G133 WeakPolarHBondContact CB-O 3.11Å; C110-G133 PolarHBondContact SG-O 3.19Å; C110-G133 VanDerWaalsContact SG-O 3.34Å; C110-Y136 WeakPolarHBondContact O-CE2 3.4Å |
| 111 | K | 90.9 | Very high | 85.5 | Confident | 70 Ų | 70 | 66 Ų | 66 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | trans | -66.9 | 158.2 | 167.9 | -69.5 | -179.9 | 174 | -173.9 | 0 | 110.3 | G78 G133 L134 Y136 A139 | G78-K111 VanDerWaalsContact CA-O 3.22Å; G78-K111 WeakPolarHBondContact CA-O 3.47Å; K111-G133 WeakPolarHBondContact O-CA 3.31Å; K111-G133 PolarHBondContact O-N 2.87Å; K111-L134 WeakPolarHBondContact CB-O 3.45Å; K111-L134 WeakPolarHBondContact CG-O 3.32Å; K111-L134 PolarHBondContact N-O 2.83Å; K111-Y136 HydrophobicContact CG-CD1 4.16Å; K111-Y136 HydrophobicContact CG-CD2 4.47Å; K111-Y136 HydrophobicContact CG-CE1 3.86Å; K111-Y136 HydrophobicContact CG-CE2 4.2Å; K111-Y136 HydrophobicContact CG-CG 4.45Å; K111-A139 PolarHBondContact NZ-O 2.98Å | ||
| 112 | P | 93.6 | Very high | 86 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | trans | -52.7 | 145.2 | 172.6 | -27.3 | 34.9 | 0 | 0 | 0 | 112.8 | S76 L114 G132 G133 | S76-P112 WeakPolarHBondContact O-CA 3.46Å; S76-P112 WeakPolarHBondContact O-CG 3.46Å; P112-L114 HydrophobicContact CB-CD2 3.97Å; P112-G132 WeakPolarHBondContact O-CA 3.41Å; P112-G133 PolarHBondContact O-N 3.49Å | ||
| 113 | I | 95.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.1 | 161.8 | -65 | 172 | 0 | 0 | 0 | 106.7 | H60 S74 H75 G78 L80 F130 S131 | H60-I113 WeakPolarHBondContact CB-O 3.44Å; S74-I113 VanDerWaalsContact CB-CG2 3.49Å; H75-I113 PolarHBondContact O-N 2.97Å; G78-I113 WeakPolarHBondContact O-CD1 3.2Å; L80-I113 HydrophobicContact CD1-CD1 4.41Å; L80-I113 HydrophobicContact CD2-CD1 3.67Å; L80-I113 HydrophobicContact CD2-CG2 4.17Å; L80-I113 HydrophobicContact CG-CD1 3.73Å; I113-F130 HydrophobicContact CB-CD2 4.46Å; I113-F130 HydrophobicContact CD1-CD2 3.88Å; I113-F130 HydrophobicContact CD1-CE2 3.82Å; I113-F130 HydrophobicContact CD1-CG 4.49Å; I113-F130 HydrophobicContact CD1-CZ 4.39Å; I113-F130 HydrophobicContact CG1-CD2 3.87Å; I113-F130 HydrophobicContact CG1-CE2 4.04Å; I113-F130 HydrophobicContact CG2-CB 3.72Å; I113-F130 HydrophobicContact CG2-CD2 3.76Å; I113-F130 HydrophobicContact CG2-CG 4.01Å; I113-S131 WeakPolarHBondContact CA-O 3.26Å |
| 114 | L | 94.3 | Very high | 86.4 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -32 | -169.9 | -63.2 | 177.2 | 0 | 0 | 0 | 112.8 | H60 P112 S131 | H60-L114 WeakPolarHBondContact CB-O 3.3Å; P112-L114 HydrophobicContact CB-CD2 3.97Å; L114-S131 PolarHBondContact N-O 3.22Å; L114-S131 VanDerWaalsContact N-O 3.08Å |
| 115 | K | 96.1 | Very high | 87.1 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 141.5 | 175.7 | -175.7 | 174.3 | -174.6 | 175.6 | 0 | 110.6 | F130 S131 E164 F165 | K115-F130 WeakPolarHBondContact O-CA 3.49Å; K115-F130 WeakPolarHBondContact O-CB 3.02Å; K115-S131 PolarHBondContact O-N 2.89Å; K115-S131 VanDerWaalsContact O-N 3.16Å; K115-E164 WeakPolarHBondContact CD-OE1 3.49Å; K115-E164 WeakPolarHBondContact CE-OE1 3.32Å; K115-E164 IonicContact NZ-OE1 3.71Å; K115-E164 PolarHBondContact NZ-OE1 2.93Å; K115-E164 IonicContact NZ-OE2 2.6Å; K115-E164 PolarHBondContact NZ-OE2 3.38Å; K115-F165 HydrophobicContact CB-CE1 3.82Å; K115-F165 HydrophobicContact CB-CZ 4.33Å; K115-F165 HydrophobicContact CD-CD1 4.15Å; K115-F165 HydrophobicContact CD-CE1 3.84Å; K115-F165 HydrophobicContact CD-CZ 4.17Å; K115-F165 HydrophobicContact CG-CE1 3.8Å; K115-F165 HydrophobicContact CG-CZ 3.94Å; K115-F165 PolarHBondContact NZ-O 3.38Å |
| 116 | V | 97.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.7 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | S61 M72 L80 V128 I129 F130 | S61-V116 PolarHBondContact OG-N 2.84Å; S61-V116 PolarHBondContact OG-O 3.27Å; M72-V116 HydrophobicContact CG-CG2 4.49Å; M72-V116 HydrophobicContact SD-CG2 3.85Å; L80-V116 HydrophobicContact CD2-CB 4.26Å; L80-V116 HydrophobicContact CD2-CG2 4.04Å; V116-V128 HydrophobicContact CG2-CG1 3.82Å; V116-I129 CarbonylContact C-O 3.42Å; V116-I129 WeakPolarHBondContact CA-O 3.25Å; V116-F130 HydrophobicContact CB-CB 4.14Å; V116-F130 HydrophobicContact CG2-CB 4.18Å |
| 117 | E | 97.2 | Very high | 89.2 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.6 | 170.9 | -73.5 | -80 | -178.8 | 0 | 0 | 108.6 | K119 I129 F165 V167 | E117-K119 WeakPolarHBondContact OE2-CE 3.38Å; E117-K119 IonicContact OE2-NZ 2.73Å; E117-K119 PolarHBondContact OE2-NZ 2.87Å; E117-I129 PolarHBondContact N-O 2.68Å; E117-I129 PolarHBondContact O-N 2.84Å; E117-F165 HydrophobicContact CB-CE2 3.97Å; E117-F165 HydrophobicContact CG-CD2 4.41Å; E117-F165 HydrophobicContact CG-CE2 3.58Å; E117-F165 HydrophobicContact CG-CZ 4.14Å; E117-V167 HydrophobicContact CB-CG2 3.71Å; E117-V167 HydrophobicContact CG-CG2 3.95Å |
| 118 | Y | 95.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 106.8 | 178.7 | 178.2 | -130.2 | 0 | 0 | 0 | 108.9 | S63 H65 M72 L82 P126 F127 V128 | S63-Y118 PolarHBondContact OG-N 3.39Å; S63-Y118 PolarHBondContact OG-O 3.36Å; H65-Y118 HydrophobicContact CB-CD1 4.29Å; H65-Y118 HydrophobicContact CB-CE1 3.8Å; H65-Y118 AromaticContact CD2-CE1 3.54Å; H65-Y118 AromaticContact CD2-CZ 3.84Å; H65-Y118 PolarHBondContact CD2-OH 3.45Å; M72-Y118 HydrophobicContact CB-CD1 4.42Å; M72-Y118 HydrophobicContact CB-CG 4.36Å; M72-Y118 HydrophobicContact CE-CD2 3.91Å; M72-Y118 HydrophobicContact CE-CE2 4.13Å; M72-Y118 HydrophobicContact CE-CG 4.25Å; L82-Y118 HydrophobicContact CD1-CE1 4.14Å; Y118-P126 HydrophobicContact CD2-CB 4.08Å; Y118-P126 HydrophobicContact CE2-CB 3.35Å; Y118-P126 HydrophobicContact CE2-CG 3.63Å; Y118-F127 WeakPolarHBondContact CA-O 3.19Å; Y118-V128 HydrophobicContact CD2-CG2 3.81Å; Y118-V128 HydrophobicContact CE2-CG2 4.18Å |
| 119 | K | 95.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.2 | -174.2 | -58.5 | -58.9 | -177.4 | -159.5 | 0 | 111.4 | E117 P126 F127 V167 Q178 P180 | E117-K119 WeakPolarHBondContact OE2-CE 3.38Å; E117-K119 IonicContact OE2-NZ 2.73Å; E117-K119 PolarHBondContact OE2-NZ 2.87Å; K119-P126 CarbonylContact O-C 3.59Å; K119-P126 WeakPolarHBondContact O-CA 3.48Å; K119-F127 PolarHBondContact N-O 2.97Å; K119-F127 PolarHBondContact O-N 3.31Å; K119-V167 HydrophobicContact CG-CB 4.23Å; K119-V167 HydrophobicContact CG-CG1 4.01Å; K119-V167 HydrophobicContact CG-CG2 4.48Å; K119-Q178 VanDerWaalsContact CA-OE1 3.28Å; K119-Q178 HydrophobicContact CD-CG 4.45Å; K119-P180 HydrophobicContact CB-CB 4.07Å; K119-P180 HydrophobicContact CB-CG 3.82Å; K119-P180 HydrophobicContact CG-CB 4.42Å |
| 120 | T | 92.9 | Very high | 92 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | trans | -95.4 | 152.1 | 179.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | H65 H66 Q178 D179 P180 | H65-T120 WeakPolarHBondContact NE2-CG2 3.38Å; H66-T120 VanDerWaalsContact CD2-CG2 3.42Å; H66-T120 WeakPolarHBondContact CD2-CG2 3.37Å; H66-T120 PolarHBondContact CD2-OG1 2.86Å; H66-T120 PolarHBondContact NE2-OG1 3Å; T120-Q178 PolarHBondContact O-N 2.9Å; T120-Q178 PolarHBondContact OG1-OE1 3.01Å; T120-D179 PolarHBondContact O-N 3.42Å; T120-P180 WeakPolarHBondContact O-CD 3.4Å | ||
| 121 | S | 89.9 | Confident | 92.3 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | trans | -126.9 | 151.4 | 178.4 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | S123 S124 D179 | S121-S123 WeakPolarHBondContact CB-OG 3.42Å; S121-S123 PolarHBondContact O-N 3.38Å; S121-S123 PolarHBondContact OG-N 3Å; S121-S123 PolarHBondContact OG-OG 3.31Å; S121-S124 PolarHBondContact O-N 2.94Å; S121-D179 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 122 | R | 86.3 | Confident | 92.2 | Very high | 180 Ų | 180 | 39.2 Ų | 39.2 | 68% | 0.679 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | 173 | -69.9 | 177.4 | -154.5 | -98.4 | -7 | 113.2 | S124 V177 D179 | R122-S124 PolarHBondContact O-N 3.22Å; R122-S124 VanDerWaalsContact O-N 3.1Å; R122-V177 HydrophobicContact CG-CG1 3.89Å; R122-D179 WeakPolarHBondContact CD-OD2 3.48Å; R122-D179 WeakPolarHBondContact CG-OD2 3.49Å; R122-D179 IonicContact CZ-OD2 2.66Å; R122-D179 PolarHBondContact N-OD1 2.92Å; R122-D179 IonicContact NE-OD2 3.99Å; R122-D179 PolarHBondContact NE-OD2 3.26Å; R122-D179 IonicContact NH2-OD2 2.94Å |
| 123 | S | 75.6 | Confident | 92 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.8 | 171.1 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | S121 E125 | S121-S123 WeakPolarHBondContact CB-OG 3.42Å; S121-S123 PolarHBondContact O-N 3.38Å; S121-S123 PolarHBondContact OG-N 3Å; S121-S123 PolarHBondContact OG-OG 3.31Å; S123-E125 PolarHBondContact O-N 3.42Å; S123-E125 VanDerWaalsContact O-N 3.13Å |
| 124 | S | 74.1 | Confident | 91.6 | Very high | 102 Ų | 102 | 38.9 Ų | 38.9 | 71% | 0.713 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 70.3 | -19.7 | -176.5 | 73.2 | 0 | 0 | 0 | 0 | 116.6 | S121 R122 | S121-S124 PolarHBondContact O-N 2.94Å; R122-S124 PolarHBondContact O-N 3.22Å; R122-S124 VanDerWaalsContact O-N 3.1Å |
| 125 | E | 88.4 | Confident | 91.1 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -86.2 | 125.8 | 174.2 | -65.4 | -64 | 162.1 | 0 | 0 | 110.5 | S123 G150 | S123-E125 PolarHBondContact O-N 3.42Å; S123-E125 VanDerWaalsContact O-N 3.13Å; E125-G150 VanDerWaalsContact OE2-CA 3.25Å; E125-G150 WeakPolarHBondContact OE2-CA 3.44Å |
| 126 | P | 91.9 | Very high | 90.2 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 155 | 179 | 33 | -34.8 | 0 | 0 | 0 | 111.9 | Y118 K119 | Y118-P126 HydrophobicContact CD2-CB 4.08Å; Y118-P126 HydrophobicContact CE2-CB 3.35Å; Y118-P126 HydrophobicContact CE2-CG 3.63Å; K119-P126 CarbonylContact O-C 3.59Å; K119-P126 WeakPolarHBondContact O-CA 3.48Å |
| 127 | F | 95.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.4 | 164.7 | -76.4 | -97.6 | 0 | 0 | 0 | 109.8 | Y118 K119 I129 I147 M148 H149 P180 L196 F201 | Y118-F127 WeakPolarHBondContact CA-O 3.19Å; K119-F127 PolarHBondContact N-O 2.97Å; K119-F127 PolarHBondContact O-N 3.31Å; F127-I129 HydrophobicContact CB-CD1 4.31Å; F127-I129 HydrophobicContact CB-CG1 4.29Å; F127-I129 HydrophobicContact CD1-CD1 4.45Å; F127-I147 HydrophobicContact CD1-CG2 3.99Å; F127-I147 HydrophobicContact CE1-CG2 4.33Å; F127-M148 WeakPolarHBondContact CA-O 3.24Å; F127-H149 HydrophobicContact CD1-CB 4.08Å; F127-H149 AromaticContact CD2-CD2 3.67Å; F127-H149 HydrophobicContact CE1-CB 3.93Å; F127-H149 AromaticContact CE1-CG 3.84Å; F127-H149 AromaticContact CE2-CD2 3.42Å; F127-H149 VanDerWaalsContact CE2-CD2 3.42Å; F127-H149 WeakPolarHBondContact CE2-CD2 3.16Å; F127-H149 AromaticContact CE2-NE2 3.5Å; F127-H149 HydrophobicContact CZ-CB 4.33Å; F127-H149 AromaticContact CZ-CD2 3.62Å; F127-H149 AromaticContact CZ-CE1 3.94Å; F127-H149 AromaticContact CZ-CG 3.73Å; F127-H149 AromaticContact CZ-ND1 3.92Å; F127-H149 AromaticContact CZ-NE2 3.8Å; F127-P180 HydrophobicContact CB-CG 4.05Å; F127-P180 HydrophobicContact CD2-CG 3.4Å; F127-P180 VanDerWaalsContact CD2-CG 3.4Å; F127-P180 HydrophobicContact CE2-CG 3.98Å; F127-P180 HydrophobicContact CG-CG 3.81Å; F127-L196 HydrophobicContact CD1-CD1 4.48Å; F127-L196 HydrophobicContact CD1-CD2 4.32Å; F127-L196 HydrophobicContact CE1-CB 4.23Å; F127-L196 HydrophobicContact CE1-CD2 4.16Å; F127-L196 HydrophobicContact CZ-CB 4.48Å; F127-F201 HydrophobicContact CE1-CE1 4.1Å; F127-F201 HydrophobicContact CE1-CZ 4.36Å |
| 128 | V | 97.1 | Very high | 87.2 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 110.8 | 168.6 | -174.4 | 0 | 0 | 0 | 0 | 107.5 | M72 L80 V116 Y118 F130 M148 | M72-V128 HydrophobicContact CE-CG1 4.2Å; M72-V128 HydrophobicContact CE-CG2 3.79Å; M72-V128 HydrophobicContact SD-CG1 3.53Å; M72-V128 VanDerWaalsContact SD-CG1 3.53Å; M72-V128 HydrophobicContact SD-CG2 4.22Å; L80-V128 HydrophobicContact CD1-CG1 3.75Å; V116-V128 HydrophobicContact CG2-CG1 3.82Å; Y118-V128 HydrophobicContact CD2-CG2 3.81Å; Y118-V128 HydrophobicContact CE2-CG2 4.18Å; V128-F130 HydrophobicContact CG1-CD1 4.28Å; V128-M148 HydrophobicContact CB-CB 4.11Å; V128-M148 HydrophobicContact CB-SD 4.41Å; V128-M148 HydrophobicContact CG1-SD 4.46Å; V128-M148 PolarHBondContact N-O 3.07Å; V128-M148 PolarHBondContact O-N 3.1Å |
| 129 | I | 98 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.5 | -173.1 | -52.2 | -179.3 | 0 | 0 | 0 | 108 | V116 E117 F127 L145 T146 I147 F165 V167 V183 L196 | V116-I129 CarbonylContact C-O 3.42Å; V116-I129 WeakPolarHBondContact CA-O 3.25Å; E117-I129 PolarHBondContact N-O 2.68Å; E117-I129 PolarHBondContact O-N 2.84Å; F127-I129 HydrophobicContact CB-CD1 4.31Å; F127-I129 HydrophobicContact CB-CG1 4.29Å; F127-I129 HydrophobicContact CD1-CD1 4.45Å; I129-L145 HydrophobicContact CG2-CD1 4.03Å; I129-L145 HydrophobicContact CG2-CD2 4.05Å; I129-L145 HydrophobicContact CG2-CG 4.09Å; I129-T146 WeakPolarHBondContact CA-O 3.43Å; I129-I147 HydrophobicContact CG1-CG1 4.39Å; I129-I147 HydrophobicContact CG1-CG2 4.32Å; I129-I147 HydrophobicContact CG2-CG1 4.2Å; I129-F165 HydrophobicContact CB-CE2 4.25Å; I129-F165 HydrophobicContact CG2-CD2 4.29Å; I129-F165 HydrophobicContact CG2-CE2 3.79Å; I129-F165 HydrophobicContact CG2-CZ 4.34Å; I129-F165 WeakPolarHBondContact O-CZ 3.3Å; I129-V167 HydrophobicContact CD1-CG1 4.36Å; I129-V167 HydrophobicContact CD1-CG2 3.91Å; I129-V183 HydrophobicContact CD1-CG2 3.51Å; I129-V183 HydrophobicContact CG2-CG1 4.48Å; I129-V183 HydrophobicContact CG2-CG2 4.28Å; I129-L196 HydrophobicContact CD1-CD1 3.74Å; I129-L196 HydrophobicContact CD1-CD2 4.09Å |
| 130 | F | 97.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 155.5 | -174.3 | 65.9 | -90.4 | 0 | 0 | 0 | 114 | L80 P97 H98 I113 K115 V116 V128 G132 T146 M148 | L80-F130 HydrophobicContact CD1-CD1 4.2Å; L80-F130 HydrophobicContact CD1-CE1 4.2Å; P97-F130 HydrophobicContact CB-CE1 4.17Å; P97-F130 HydrophobicContact CB-CZ 3.67Å; P97-F130 HydrophobicContact CG-CE1 4.06Å; P97-F130 HydrophobicContact CG-CZ 3.78Å; H98-F130 AromaticContact CD2-CE2 3.92Å; H98-F130 AromaticContact CD2-CZ 3.97Å; H98-F130 AromaticContact NE2-CE2 3.62Å; H98-F130 AromaticContact NE2-CZ 3.51Å; I113-F130 HydrophobicContact CB-CD2 4.46Å; I113-F130 HydrophobicContact CD1-CD2 3.88Å; I113-F130 HydrophobicContact CD1-CE2 3.82Å; I113-F130 HydrophobicContact CD1-CG 4.49Å; I113-F130 HydrophobicContact CD1-CZ 4.39Å; I113-F130 HydrophobicContact CG1-CD2 3.87Å; I113-F130 HydrophobicContact CG1-CE2 4.04Å; I113-F130 HydrophobicContact CG2-CB 3.72Å; I113-F130 HydrophobicContact CG2-CD2 3.76Å; I113-F130 HydrophobicContact CG2-CG 4.01Å; K115-F130 WeakPolarHBondContact O-CA 3.49Å; K115-F130 WeakPolarHBondContact O-CB 3.02Å; V116-F130 HydrophobicContact CB-CB 4.14Å; V116-F130 HydrophobicContact CG2-CB 4.18Å; V128-F130 HydrophobicContact CG1-CD1 4.28Å; F130-G132 WeakPolarHBondContact CE2-O 3.34Å; F130-T146 HydrophobicContact CD1-CG2 4.38Å; F130-T146 HydrophobicContact CE1-CG2 3.53Å; F130-T146 HydrophobicContact CE2-CG2 4.15Å; F130-T146 HydrophobicContact CZ-CG2 3.4Å; F130-T146 PolarHBondContact N-O 2.84Å; F130-T146 PolarHBondContact O-N 3.01Å; F130-M148 HydrophobicContact CE1-CG 3.98Å; F130-M148 HydrophobicContact CE1-SD 3.72Å |
| 131 | S | 95.1 | Very high | 81.8 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140.1 | 172.2 | 61 | 0 | 0 | 0 | 0 | 111.1 | I113 L114 K115 | I113-S131 WeakPolarHBondContact CA-O 3.26Å; L114-S131 PolarHBondContact N-O 3.22Å; L114-S131 VanDerWaalsContact N-O 3.08Å; K115-S131 PolarHBondContact O-N 2.89Å; K115-S131 VanDerWaalsContact O-N 3.16Å |
| 132 | G | 89.2 | Confident | 81.1 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | -154 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P112 F130 L134 | P112-G132 WeakPolarHBondContact O-CA 3.41Å; F130-G132 WeakPolarHBondContact CE2-O 3.34Å; G132-L134 PolarHBondContact O-N 2.91Å |
| 133 | G | 88.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | 78.6 | -9.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | H98 C110 K111 P112 | H98-G133 WeakPolarHBondContact CB-O 3.29Å; H98-G133 PolarHBondContact CD2-O 3.39Å; C110-G133 WeakPolarHBondContact CB-O 3.11Å; C110-G133 PolarHBondContact SG-O 3.19Å; C110-G133 VanDerWaalsContact SG-O 3.34Å; K111-G133 WeakPolarHBondContact O-CA 3.31Å; K111-G133 PolarHBondContact O-N 2.87Å; P112-G133 PolarHBondContact O-N 3.49Å | ||
| 134 | L | 88.5 | Confident | 82 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | trans | -69.6 | 150.1 | -176.9 | -62.3 | 176 | 0 | 0 | 0 | 112.1 | K111 G132 A139 A144 V155 | K111-L134 WeakPolarHBondContact CB-O 3.45Å; K111-L134 WeakPolarHBondContact CG-O 3.32Å; K111-L134 PolarHBondContact N-O 2.83Å; G132-L134 PolarHBondContact O-N 2.91Å; L134-A139 HydrophobicContact CB-CB 3.28Å; L134-A139 HydrophobicContact CD1-CB 3.59Å; L134-A139 HydrophobicContact CG-CB 4.09Å; L134-A144 HydrophobicContact CD1-CB 3.73Å; L134-V155 HydrophobicContact CD2-CG1 4.15Å; L134-V155 HydrophobicContact CD2-CG2 4.34Å | ||
| 135 | S | 83.8 | Confident | 83 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 143.2 | 174.8 | 163 | 0 | 0 | 0 | 0 | 112.3 | E108 D137 K138 A139 | E108-S135 WeakPolarHBondContact OE1-CB 3.33Å; E108-S135 PolarHBondContact OE1-OG 3.14Å; S135-D137 PolarHBondContact O-N 2.82Å; S135-D137 PolarHBondContact OG-N 2.89Å; S135-D137 VanDerWaalsContact OG-N 3.14Å; S135-K138 PolarHBondContact O-N 2.9Å; S135-A139 VanDerWaalsContact O-CB 3.25Å; S135-A139 WeakPolarHBondContact O-CB 3.22Å; S135-A139 PolarHBondContact O-N 3.16Å |
| 136 | Y | 76.8 | Confident | 83.4 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.8 | 174.7 | -77.6 | -84 | 0 | 0 | 0 | 113.1 | S109 C110 K111 | S109-Y136 WeakPolarHBondContact O-CD2 3.44Å; S109-Y136 PolarHBondContact O-N 2.66Å; S109-Y136 WeakPolarHBondContact OG-CD2 3.43Å; S109-Y136 WeakPolarHBondContact OG-CE2 3.41Å; C110-Y136 WeakPolarHBondContact O-CE2 3.4Å; K111-Y136 HydrophobicContact CG-CD1 4.16Å; K111-Y136 HydrophobicContact CG-CD2 4.47Å; K111-Y136 HydrophobicContact CG-CE1 3.86Å; K111-Y136 HydrophobicContact CG-CE2 4.2Å; K111-Y136 HydrophobicContact CG-CG 4.45Å |
| 137 | D | 69.4 | Low | 83.6 | Confident | 141 Ų | 141 | 49.3 Ų | 49.3 | 75% | 0.754 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.9 | -176.5 | -67.8 | -15.1 | 0 | 0 | 0 | 112.9 | S135 | S135-D137 PolarHBondContact O-N 2.82Å; S135-D137 PolarHBondContact OG-N 2.89Å; S135-D137 VanDerWaalsContact OG-N 3.14Å |
| 138 | K | 61.7 | Low | 83.6 | Confident | 158 Ų | 158 | 50 Ų | 50 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -26.6 | 179.1 | -74.6 | -173.6 | 172.5 | -170 | 0 | 114 | S135 | S135-K138 PolarHBondContact O-N 2.9Š|
| 139 | A | 54 | Low | 83.4 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -117.9 | 40.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115 | K111 L134 S135 | K111-A139 PolarHBondContact NZ-O 2.98Å; L134-A139 HydrophobicContact CB-CB 3.28Å; L134-A139 HydrophobicContact CD1-CB 3.59Å; L134-A139 HydrophobicContact CG-CB 4.09Å; S135-A139 VanDerWaalsContact O-CB 3.25Å; S135-A139 WeakPolarHBondContact O-CB 3.22Å; S135-A139 PolarHBondContact O-N 3.16Å | ||
| 140 | G | 52.3 | Low | 82.8 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -79 | -5.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 141 | R | 63.6 | Low | 82.3 | Confident | 242 Ų | 242 | 64.1 Ų | 64.1 | 91% | 0.913 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -132.3 | -26 | -169.5 | -67.4 | -168.8 | -178 | -172.1 | 0.9 | 118.2 | ||
| 142 | R | 76.4 | Confident | 82.1 | Confident | 148 Ų | 148 | 66.1 Ų | 66.1 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | trans | -132.4 | 130.5 | -173.4 | -67.7 | -174.5 | 178.8 | 177.8 | -6.6 | 113.2 | E157 | R142-E157 WeakPolarHBondContact CD-OE2 3.28Å; R142-E157 IonicContact NH1-OE2 3.73Å; R142-E157 PolarHBondContact NH1-OE2 3.5Å; R142-E157 VanDerWaalsContact NH1-OE2 3.14Å | ||
| 143 | P | 88.3 | Confident | 82.3 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -57.8 | 149.7 | 168 | -19.8 | 32.5 | 0 | 0 | 0 | 110.7 | M158 P161 | P143-M158 HydrophobicContact CB-CB 4.32Å; P143-M158 PolarHBondContact O-N 3.49Å; P143-P161 VanDerWaalsContact CG-CA 3.46Å; P143-P161 HydrophobicContact CG-CB 4.18Å; P143-P161 HydrophobicContact CG-CG 4.12Å | ||
| 144 | A | 91.6 | Very high | 82.5 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 149 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L134 V155 L156 I162 | L134-A144 HydrophobicContact CD1-CB 3.73Å; A144-V155 HydrophobicContact CB-CG1 3.81Å; A144-L156 CarbonylContact C-O 3.55Å; A144-L156 WeakPolarHBondContact CA-O 3.41Å; A144-L156 WeakPolarHBondContact CB-O 3.49Å; A144-I162 WeakPolarHBondContact O-CD1 3.45Å |
| 145 | L | 95.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.6 | 168.1 | -171 | 79 | 0 | 0 | 0 | 108.7 | I129 L156 M158 I162 F165 V183 V185 | I129-L145 HydrophobicContact CG2-CD1 4.03Å; I129-L145 HydrophobicContact CG2-CD2 4.05Å; I129-L145 HydrophobicContact CG2-CG 4.09Å; L145-L156 PolarHBondContact N-O 3.49Å; L145-L156 PolarHBondContact O-N 2.83Å; L145-M158 HydrophobicContact CB-CE 3.35Å; L145-M158 HydrophobicContact CD2-CE 4.28Å; L145-M158 HydrophobicContact CG-CE 4.44Å; L145-I162 HydrophobicContact CB-CD1 4.09Å; L145-I162 HydrophobicContact CD1-CD1 4.43Å; L145-F165 HydrophobicContact CD1-CD1 3.77Å; L145-F165 HydrophobicContact CD1-CD2 4.29Å; L145-F165 HydrophobicContact CD1-CE1 3.96Å; L145-F165 HydrophobicContact CD1-CE2 4.46Å; L145-F165 HydrophobicContact CD1-CG 3.95Å; L145-F165 HydrophobicContact CD1-CZ 4.32Å; L145-V183 HydrophobicContact CD2-CG1 4.1Å; L145-V185 HydrophobicContact CD2-CG2 3.92Å |
| 146 | T | 96 | Very high | 83.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 175.1 | -55.2 | 0 | 0 | 0 | 0 | 110 | H98 I129 F130 M148 I153 T154 V155 | H98-T146 PolarHBondContact NE2-OG1 3.41Å; I129-T146 WeakPolarHBondContact CA-O 3.43Å; F130-T146 HydrophobicContact CD1-CG2 4.38Å; F130-T146 HydrophobicContact CE1-CG2 3.53Å; F130-T146 HydrophobicContact CE2-CG2 4.15Å; F130-T146 HydrophobicContact CZ-CG2 3.4Å; F130-T146 PolarHBondContact N-O 2.84Å; F130-T146 PolarHBondContact O-N 3.01Å; T146-M148 HydrophobicContact CG2-CG 4.36Å; T146-I153 HydrophobicContact CG2-CG2 3.63Å; T146-T154 CarbonylContact C-O 3.53Å; T146-T154 WeakPolarHBondContact CA-O 3.23Å; T146-V155 HydrophobicContact CG2-CG2 4.31Å |
| 147 | I | 96.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.4 | 173.2 | -59.1 | 167.4 | 0 | 0 | 0 | 107.8 | F127 I129 T154 L156 V194 L196 F201 | F127-I147 HydrophobicContact CD1-CG2 3.99Å; F127-I147 HydrophobicContact CE1-CG2 4.33Å; I129-I147 HydrophobicContact CG1-CG1 4.39Å; I129-I147 HydrophobicContact CG1-CG2 4.32Å; I129-I147 HydrophobicContact CG2-CG1 4.2Å; I147-T154 PolarHBondContact N-O 2.92Å; I147-T154 PolarHBondContact O-N 3.32Å; I147-L156 HydrophobicContact CD1-CD1 3.73Å; I147-L156 HydrophobicContact CD1-CG 4.47Å; I147-V194 HydrophobicContact CD1-CG1 4.25Å; I147-L196 HydrophobicContact CD1-CD2 3.82Å; I147-L196 HydrophobicContact CG2-CD2 4.32Å; I147-F201 HydrophobicContact CB-CD2 4.43Å; I147-F201 HydrophobicContact CB-CE2 4.04Å; I147-F201 HydrophobicContact CB-CZ 4.36Å; I147-F201 HydrophobicContact CD1-CB 4.32Å; I147-F201 HydrophobicContact CD1-CD1 4.27Å; I147-F201 HydrophobicContact CD1-CD2 3.94Å; I147-F201 HydrophobicContact CD1-CE2 4.31Å; I147-F201 HydrophobicContact CD1-CG 3.92Å; I147-F201 HydrophobicContact CG2-CD2 4.46Å; I147-F201 HydrophobicContact CG2-CE1 4.14Å; I147-F201 HydrophobicContact CG2-CE2 3.76Å; I147-F201 HydrophobicContact CG2-CZ 3.58Å |
| 148 | M | 95.2 | Very high | 84.9 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.5 | 168.2 | -49.6 | 172.3 | 50.2 | 0 | 0 | 109.3 | L80 T95 P97 F127 V128 F130 T146 A152 I153 | L80-M148 HydrophobicContact CD1-SD 4.37Å; T95-M148 HydrophobicContact CG2-CE 4.49Å; P97-M148 HydrophobicContact CB-SD 3.85Å; P97-M148 HydrophobicContact CG-SD 3.83Å; F127-M148 WeakPolarHBondContact CA-O 3.24Å; V128-M148 HydrophobicContact CB-CB 4.11Å; V128-M148 HydrophobicContact CB-SD 4.41Å; V128-M148 HydrophobicContact CG1-SD 4.46Å; V128-M148 PolarHBondContact N-O 3.07Å; V128-M148 PolarHBondContact O-N 3.1Å; F130-M148 HydrophobicContact CE1-CG 3.98Å; F130-M148 HydrophobicContact CE1-SD 3.72Å; T146-M148 HydrophobicContact CG2-CG 4.36Å; M148-A152 VanDerWaalsContact CA-O 3.31Å; M148-A152 WeakPolarHBondContact CA-O 3.41Å; M148-I153 HydrophobicContact CE-CD1 4.34Å; M148-I153 HydrophobicContact CE-CG1 4.45Å; M148-I153 HydrophobicContact CG-CG1 4.08Å; M148-I153 HydrophobicContact CG-CG2 4.29Å |
| 149 | H | 92.9 | Very high | 86.1 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 111.3 | 174 | -179.1 | -130.2 | 0 | 0 | 0 | 108.3 | F127 K151 A152 | F127-H149 HydrophobicContact CD1-CB 4.08Å; F127-H149 AromaticContact CD2-CD2 3.67Å; F127-H149 HydrophobicContact CE1-CB 3.93Å; F127-H149 AromaticContact CE1-CG 3.84Å; F127-H149 AromaticContact CE2-CD2 3.42Å; F127-H149 VanDerWaalsContact CE2-CD2 3.42Å; F127-H149 WeakPolarHBondContact CE2-CD2 3.16Å; F127-H149 AromaticContact CE2-NE2 3.5Å; F127-H149 HydrophobicContact CZ-CB 4.33Å; F127-H149 AromaticContact CZ-CD2 3.62Å; F127-H149 AromaticContact CZ-CE1 3.94Å; F127-H149 AromaticContact CZ-CG 3.73Å; F127-H149 AromaticContact CZ-ND1 3.92Å; F127-H149 AromaticContact CZ-NE2 3.8Å; H149-K151 PolarHBondContact O-N 2.83Å; H149-A152 PolarHBondContact N-O 2.85Å; H149-A152 VanDerWaalsContact N-O 3.07Å; H149-A152 PolarHBondContact O-N 2.99Å; H149-A152 VanDerWaalsContact O-N 3.14Å |
| 150 | G | 85.8 | Confident | 87.9 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -121.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 | E125-G150 VanDerWaalsContact OE2-CA 3.25Å; E125-G150 WeakPolarHBondContact OE2-CA 3.44Å |
| 151 | K | 86.5 | Confident | 89.7 | Confident | 215 Ų | 215 | 67.8 Ų | 67.8 | 94% | 0.935 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -9.9 | 178.1 | -64.5 | -178.5 | -178 | 175.3 | 0 | 113.8 | H149 | H149-K151 PolarHBondContact O-N 2.83Š|
| 152 | A | 91.2 | Very high | 91.2 | Very high | 58 Ų | 58 | 58 Ų | 58 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136 | -179 | 0 | 0 | 0 | 0 | 0 | 110.2 | M148 H149 | M148-A152 VanDerWaalsContact CA-O 3.31Å; M148-A152 WeakPolarHBondContact CA-O 3.41Å; H149-A152 PolarHBondContact N-O 2.85Å; H149-A152 VanDerWaalsContact N-O 3.07Å; H149-A152 PolarHBondContact O-N 2.99Å; H149-A152 VanDerWaalsContact O-N 3.14Å |
| 153 | I | 92.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.7 | 173.7 | -54.5 | -176.2 | 0 | 0 | 0 | 107 | P97 T146 M148 | P97-I153 HydrophobicContact CB-CD1 4.47Å; T146-I153 HydrophobicContact CG2-CG2 3.63Å; M148-I153 HydrophobicContact CE-CD1 4.34Å; M148-I153 HydrophobicContact CE-CG1 4.45Å; M148-I153 HydrophobicContact CG-CG1 4.08Å; M148-I153 HydrophobicContact CG-CG2 4.29Å |
| 154 | T | 94.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130 | 176.7 | -57 | 0 | 0 | 0 | 0 | 109.5 | T146 I147 L156 F201 | T146-T154 CarbonylContact C-O 3.53Å; T146-T154 WeakPolarHBondContact CA-O 3.23Å; I147-T154 PolarHBondContact N-O 2.92Å; I147-T154 PolarHBondContact O-N 3.32Å; T154-L156 HydrophobicContact CG2-CD2 3.98Å; T154-F201 HydrophobicContact CG2-CD2 3.88Å; T154-F201 HydrophobicContact CG2-CE2 4.3Å |
| 155 | V | 93.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.9 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L134 A144 T146 | L134-V155 HydrophobicContact CD2-CG1 4.15Å; L134-V155 HydrophobicContact CD2-CG2 4.34Å; A144-V155 HydrophobicContact CB-CG1 3.81Å; T146-V155 HydrophobicContact CG2-CG2 4.31Å |
| 156 | L | 93.2 | Very high | 92.7 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112 | 174.8 | -55.7 | -178.8 | 0 | 0 | 0 | 108.3 | A144 L145 I147 T154 M158 V194 | A144-L156 CarbonylContact C-O 3.55Å; A144-L156 WeakPolarHBondContact CA-O 3.41Å; A144-L156 WeakPolarHBondContact CB-O 3.49Å; L145-L156 PolarHBondContact N-O 3.49Å; L145-L156 PolarHBondContact O-N 2.83Å; I147-L156 HydrophobicContact CD1-CD1 3.73Å; I147-L156 HydrophobicContact CD1-CG 4.47Å; T154-L156 HydrophobicContact CG2-CD2 3.98Å; L156-M158 HydrophobicContact CB-CE 3.85Å; L156-V194 HydrophobicContact CD1-CG1 3.86Å; L156-V194 HydrophobicContact CD1-CG2 3.95Å |
| 157 | E | 91.4 | Very high | 92.8 | Very high | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.2 | 172.4 | -65.8 | -171.2 | 175 | 0 | 0 | 110 | R142 | R142-E157 WeakPolarHBondContact CD-OE2 3.28Å; R142-E157 IonicContact NH1-OE2 3.73Å; R142-E157 PolarHBondContact NH1-OE2 3.5Å; R142-E157 VanDerWaalsContact NH1-OE2 3.14Å |
| 158 | M | 90.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | trans | -106 | 145 | 178 | -53.3 | -53.9 | 176.3 | 0 | 0 | 110.4 | P143 L145 L156 Y160 I162 L187 I192 | P143-M158 HydrophobicContact CB-CB 4.32Å; P143-M158 PolarHBondContact O-N 3.49Å; L145-M158 HydrophobicContact CB-CE 3.35Å; L145-M158 HydrophobicContact CD2-CE 4.28Å; L145-M158 HydrophobicContact CG-CE 4.44Å; L156-M158 HydrophobicContact CB-CE 3.85Å; M158-Y160 VanDerWaalsContact C-N 3.28Å; M158-Y160 WeakPolarHBondContact CB-O 3.36Å; M158-I162 HydrophobicContact CG-CD1 3.99Å; M158-I162 HydrophobicContact CG-CG1 3.95Å; M158-L187 HydrophobicContact CB-CD1 4.31Å; M158-L187 HydrophobicContact CB-CD2 4.15Å; M158-L187 HydrophobicContact CG-CD2 4.14Å; M158-I192 HydrophobicContact CE-CD1 3.66Å; M158-I192 HydrophobicContact SD-CD1 3.28Å; M158-I192 WeakPolarHBondContact SD-CD1 3.12Å | ||
| 159 | D | 87.7 | Confident | 92.8 | Very high | 130 Ų | 130 | 64.4 Ų | 64.4 | 70% | 0.695 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -71.9 | -26.7 | 176.6 | -70.7 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 160 | Y | 90.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 68 Ų | 68 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -130.8 | 158.4 | -178.7 | -60.2 | -66.1 | 0 | 0 | 0 | 111.9 | M158 I162 K189 D190 | M158-Y160 VanDerWaalsContact C-N 3.28Å; M158-Y160 WeakPolarHBondContact CB-O 3.36Å; Y160-I162 PolarHBondContact O-N 2.91Å; Y160-K189 HydrophobicContact CD1-CB 4.24Å; Y160-K189 HydrophobicContact CD1-CD 3.98Å; Y160-K189 HydrophobicContact CD1-CG 4.18Å; Y160-K189 HydrophobicContact CD2-CB 4.07Å; Y160-K189 HydrophobicContact CE1-CB 4.26Å; Y160-K189 HydrophobicContact CE1-CD 3.68Å; Y160-K189 HydrophobicContact CE1-CG 4.29Å; Y160-K189 HydrophobicContact CE2-CB 4.07Å; Y160-K189 HydrophobicContact CG-CB 4.14Å; Y160-K189 HydrophobicContact CG-CG 4.47Å; Y160-D190 HydrophobicContact CD2-CB 4.05Å; Y160-D190 HydrophobicContact CE2-CB 4.37Å |
| 161 | P | 91.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | trans | -57.4 | 137.1 | 176 | -25.2 | 35.8 | 0 | 0 | 0 | 112.5 | P143 V163 L187 E188 | P143-P161 VanDerWaalsContact CG-CA 3.46Å; P143-P161 HydrophobicContact CG-CB 4.18Å; P143-P161 HydrophobicContact CG-CG 4.12Å; P161-V163 PolarHBondContact O-N 2.99Å; P161-L187 CarbonylContact O-C 3.6Å; P161-L187 VanDerWaalsContact O-CA 3.27Å; P161-L187 WeakPolarHBondContact O-CA 2.98Å; P161-E188 HydrophobicContact CB-CG 4Å; P161-E188 HydrophobicContact CG-CG 4.28Å; P161-E188 PolarHBondContact O-N 3.09Å | ||
| 162 | I | 93.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.3 | 174.9 | -60.6 | 172.8 | 0 | 0 | 0 | 107.9 | A144 L145 M158 Y160 V185 L187 | A144-I162 WeakPolarHBondContact O-CD1 3.45Å; L145-I162 HydrophobicContact CB-CD1 4.09Å; L145-I162 HydrophobicContact CD1-CD1 4.43Å; M158-I162 HydrophobicContact CG-CD1 3.99Å; M158-I162 HydrophobicContact CG-CG1 3.95Å; Y160-I162 PolarHBondContact O-N 2.91Å; I162-V185 HydrophobicContact CD1-CG1 4.38Å; I162-V185 HydrophobicContact CG1-CG1 4.07Å; I162-V185 HydrophobicContact CG2-CG1 3.93Å; I162-L187 HydrophobicContact CB-CD2 4.29Å; I162-L187 HydrophobicContact CG1-CD2 3.69Å |
| 163 | V | 95.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -49.3 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | P161 L186 E188 | P161-V163 PolarHBondContact O-N 2.99Å; V163-L186 HydrophobicContact CB-CD2 4.25Å; V163-L186 HydrophobicContact CB-CG 4.18Å; V163-L186 HydrophobicContact CG1-CD2 4.11Å; V163-L186 PolarHBondContact N-O 3.33Å; V163-E188 HydrophobicContact CG2-CG 3.97Å |
| 164 | E | 95.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 157 | -178.7 | -174.7 | 52.8 | -70.3 | 0 | 0 | 111.3 | K115 L186 | K115-E164 WeakPolarHBondContact CD-OE1 3.49Å; K115-E164 WeakPolarHBondContact CE-OE1 3.32Å; K115-E164 IonicContact NZ-OE1 3.71Å; K115-E164 PolarHBondContact NZ-OE1 2.93Å; K115-E164 IonicContact NZ-OE2 2.6Å; K115-E164 PolarHBondContact NZ-OE2 3.38Å; E164-L186 PolarHBondContact N-O 3.33Å; E164-L186 PolarHBondContact O-N 2.91Å |
| 165 | F | 97.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.5 | 166.7 | 75 | -89.6 | 0 | 0 | 0 | 112.8 | K115 E117 I129 L145 V167 V183 V184 V185 | K115-F165 HydrophobicContact CB-CE1 3.82Å; K115-F165 HydrophobicContact CB-CZ 4.33Å; K115-F165 HydrophobicContact CD-CD1 4.15Å; K115-F165 HydrophobicContact CD-CE1 3.84Å; K115-F165 HydrophobicContact CD-CZ 4.17Å; K115-F165 HydrophobicContact CG-CE1 3.8Å; K115-F165 HydrophobicContact CG-CZ 3.94Å; K115-F165 PolarHBondContact NZ-O 3.38Å; E117-F165 HydrophobicContact CB-CE2 3.97Å; E117-F165 HydrophobicContact CG-CD2 4.41Å; E117-F165 HydrophobicContact CG-CE2 3.58Å; E117-F165 HydrophobicContact CG-CZ 4.14Å; I129-F165 HydrophobicContact CB-CE2 4.25Å; I129-F165 HydrophobicContact CG2-CD2 4.29Å; I129-F165 HydrophobicContact CG2-CE2 3.79Å; I129-F165 HydrophobicContact CG2-CZ 4.34Å; I129-F165 WeakPolarHBondContact O-CZ 3.3Å; L145-F165 HydrophobicContact CD1-CD1 3.77Å; L145-F165 HydrophobicContact CD1-CD2 4.29Å; L145-F165 HydrophobicContact CD1-CE1 3.96Å; L145-F165 HydrophobicContact CD1-CE2 4.46Å; L145-F165 HydrophobicContact CD1-CG 3.95Å; L145-F165 HydrophobicContact CD1-CZ 4.32Å; F165-V167 HydrophobicContact CE2-CG2 4.48Å; F165-V183 HydrophobicContact CB-CG1 4.17Å; F165-V183 HydrophobicContact CD2-CG1 3.85Å; F165-V183 HydrophobicContact CG-CG1 4.4Å; F165-V184 CarbonylContact C-O 3.56Å; F165-V184 WeakPolarHBondContact CA-O 3.42Å; F165-V184 WeakPolarHBondContact CB-O 3.48Å; F165-V185 HydrophobicContact CB-CB 4.33Å; F165-V185 HydrophobicContact CB-CG1 4.24Å; F165-V185 HydrophobicContact CB-CG2 4.08Å |
| 166 | M | 96.4 | Very high | 92 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 53% | 0.527 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151 | 171.9 | 72.3 | -175.8 | -56.5 | 0 | 0 | 111.2 | L168 V183 V184 | M166-L168 HydrophobicContact CE-CD2 4.36Å; M166-L168 HydrophobicContact CG-CD2 4.44Å; M166-L168 HydrophobicContact SD-CD2 4.48Å; M166-V183 CarbonylContact O-C 3.57Å; M166-V183 WeakPolarHBondContact O-CA 3.01Å; M166-V183 WeakPolarHBondContact O-CG1 3.42Å; M166-V184 HydrophobicContact CG-CB 3.89Å; M166-V184 HydrophobicContact CG-CG2 4.27Å; M166-V184 PolarHBondContact N-O 3.27Å; M166-V184 PolarHBondContact O-N 3.49Å |
| 167 | V | 97.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.6 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | E117 K119 I129 F165 P180 V183 L196 | E117-V167 HydrophobicContact CB-CG2 3.71Å; E117-V167 HydrophobicContact CG-CG2 3.95Å; K119-V167 HydrophobicContact CG-CB 4.23Å; K119-V167 HydrophobicContact CG-CG1 4.01Å; K119-V167 HydrophobicContact CG-CG2 4.48Å; I129-V167 HydrophobicContact CD1-CG1 4.36Å; I129-V167 HydrophobicContact CD1-CG2 3.91Å; F165-V167 HydrophobicContact CE2-CG2 4.48Å; V167-P180 HydrophobicContact CG1-CB 3.46Å; V167-P180 VanDerWaalsContact CG1-CB 3.46Å; V167-V183 HydrophobicContact CG2-CG2 4.36Å; V167-L196 HydrophobicContact CG1-CD1 4.01Å |
| 168 | L | 96.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.6 | 175 | -52.1 | -175.5 | 0 | 0 | 0 | 109.7 | M166 P180 Y181 A182 V184 P252 | M166-L168 HydrophobicContact CE-CD2 4.36Å; M166-L168 HydrophobicContact CG-CD2 4.44Å; M166-L168 HydrophobicContact SD-CD2 4.48Å; L168-P180 CarbonylContact O-C 3.55Å; L168-P180 WeakPolarHBondContact O-CA 3.46Å; L168-Y181 HydrophobicContact CB-CD1 4.49Å; L168-Y181 HydrophobicContact CB-CD2 4.37Å; L168-Y181 HydrophobicContact CB-CE1 3.89Å; L168-Y181 HydrophobicContact CB-CE2 3.76Å; L168-Y181 VanDerWaalsContact CB-CZ 3.49Å; L168-Y181 HydrophobicContact CD1-CE2 4.08Å; L168-Y181 PolarHBondContact O-N 2.91Å; L168-A182 HydrophobicContact CB-CB 4.24Å; L168-A182 HydrophobicContact CD1-CB 4.13Å; L168-A182 HydrophobicContact CG-CB 4.37Å; L168-A182 PolarHBondContact N-O 3.34Å; L168-V184 HydrophobicContact CD1-CG2 3.77Å; L168-V184 HydrophobicContact CD2-CG2 4.01Å; L168-V184 HydrophobicContact CG-CG2 3.86Å; L168-P252 HydrophobicContact CD1-CB 3.92Å; L168-P252 HydrophobicContact CD1-CG 4.06Å |
| 169 | C | 95 | Very high | 92.1 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.3 | -172 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | T171 Q178 Y181 | C169-T171 PolarHBondContact O-N 3.47Å; C169-Q178 HydrophobicContact CB-CB 4.09Å; C169-Q178 VanDerWaalsContact CB-O 3.31Å; C169-Q178 WeakPolarHBondContact CB-O 3.48Å; C169-Y181 VanDerWaalsContact C-CE1 3.48Å; C169-Y181 WeakPolarHBondContact O-CE1 3.24Å |
| 170 | E | 91.8 | Very high | 92.5 | Very high | 135 Ų | 135 | 51.4 Ų | 51.4 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -62.7 | -29 | -178.9 | -70.4 | -68.4 | 156.9 | 0 | 0 | 113 | Q178 D179 Y181 | E170-Q178 PolarHBondContact N-O 3.08Å; E170-D179 HydrophobicContact CB-CB 4.28Å; E170-D179 HydrophobicContact CG-CB 3.92Å; E170-D179 PolarHBondContact N-O 2.82Å; E170-Y181 HydrophobicContact CG-CD1 4.27Å |
| 171 | T | 89.6 | Confident | 92.7 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | trans | -114.2 | 139.6 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | C169 Y173 E176 V177 | C169-T171 PolarHBondContact O-N 3.47Å; T171-Y173 PolarHBondContact O-N 2.77Å; T171-Y173 WeakPolarHBondContact OG1-CD2 3.19Å; T171-Y173 PolarHBondContact OG1-N 2.92Å; T171-Y173 VanDerWaalsContact OG1-N 3.14Å; T171-E176 WeakPolarHBondContact CB-OE2 3.4Å; T171-E176 HydrophobicContact CG2-CB 3.86Å; T171-E176 PolarHBondContact OG1-OE2 2.93Å; T171-V177 WeakPolarHBondContact CG2-O 3.24Å | ||
| 172 | P | 87.4 | Confident | 93 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -75.4 | -10.3 | 171.1 | 32.9 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 173 | Y | 87.8 | Confident | 93.2 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | trans | -90.2 | 117.7 | -173.5 | -60.6 | -66.9 | 0 | 0 | 0 | 112.6 | T171 N175 E176 P901 A903 | T171-Y173 PolarHBondContact O-N 2.77Å; T171-Y173 WeakPolarHBondContact OG1-CD2 3.19Å; T171-Y173 PolarHBondContact OG1-N 2.92Å; T171-Y173 VanDerWaalsContact OG1-N 3.14Å; Y173-N175 PolarHBondContact O-N 2.99Å; Y173-N175 VanDerWaalsContact O-N 3.1Å; Y173-E176 PolarHBondContact O-N 3.24Å; Y173-P901 HydrophobicContact CE2-CB 4.42Å; Y173-P901 WeakPolarHBondContact CE2-O 3.45Å; Y173-P901 VanDerWaalsContact CZ-O 3.23Å; Y173-P901 PolarHBondContact OH-O 3.39Å; Y173-A903 HydrophobicContact CD1-CB 4.1Å; Y173-A903 HydrophobicContact CD2-CB 4.13Å; Y173-A903 HydrophobicContact CE1-CB 3.84Å; Y173-A903 HydrophobicContact CE2-CB 3.87Å; Y173-A903 HydrophobicContact CG-CB 4.24Å | ||
| 174 | N | 86.2 | Confident | 93.3 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 55% | 0.551 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.8 | 179.7 | -74.7 | -38.3 | 0 | 0 | 0 | 114.8 | H66 | H66-N174 WeakPolarHBondContact CA-O 3.37Å; H66-N174 WeakPolarHBondContact CB-O 3.34Å |
| 175 | N | 87.3 | Confident | 93.4 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.1 | -177.9 | 66.3 | -3.4 | 0 | 0 | 0 | 113.6 | P24 H66 Y173 | P24-N175 HydrophobicContact CB-CB 4.09Å; P24-N175 WeakPolarHBondContact O-CB 3.45Å; H66-N175 WeakPolarHBondContact O-CA 3.14Å; Y173-N175 PolarHBondContact O-N 2.99Å; Y173-N175 VanDerWaalsContact O-N 3.1Å |
| 176 | E | 89.4 | Confident | 93.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -103.2 | 163.6 | 177.1 | -70.4 | 177 | -174 | 0 | 0 | 111.4 | H66 T171 Y173 Q178 Q904 | H66-E176 WeakPolarHBondContact CB-O 3.41Å; T171-E176 WeakPolarHBondContact CB-OE2 3.4Å; T171-E176 HydrophobicContact CG2-CB 3.86Å; T171-E176 PolarHBondContact OG1-OE2 2.93Å; Y173-E176 PolarHBondContact O-N 3.24Å; E176-Q178 PolarHBondContact O-N 2.86Å; E176-Q904 HydrophobicContact CG-CB 4.34Å; E176-Q904 HydrophobicContact CG-CG 4.35Å; E176-Q904 WeakPolarHBondContact OE1-CB 3.33Å; E176-Q904 WeakPolarHBondContact OE1-CG 3.46Å; E176-Q904 PolarHBondContact OE1-N 2.93Å |
| 177 | V | 91.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | trans | -63.7 | 123.1 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | R122 T171 | R122-V177 HydrophobicContact CG-CG1 3.89Å; T171-V177 WeakPolarHBondContact CG2-O 3.24Å | ||
| 178 | Q | 92.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | trans | -81 | -33 | -164.1 | -71.9 | 144 | -34.2 | 0 | 0 | 113.6 | K119 T120 C169 E170 E176 | K119-Q178 VanDerWaalsContact CA-OE1 3.28Å; K119-Q178 HydrophobicContact CD-CG 4.45Å; T120-Q178 PolarHBondContact O-N 2.9Å; T120-Q178 PolarHBondContact OG1-OE1 3.01Å; C169-Q178 HydrophobicContact CB-CB 4.09Å; C169-Q178 VanDerWaalsContact CB-O 3.31Å; C169-Q178 WeakPolarHBondContact CB-O 3.48Å; E170-Q178 PolarHBondContact N-O 3.08Å; E176-Q178 PolarHBondContact O-N 2.86Å | ||
| 179 | D | 93.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | trans | 46.8 | 71 | -175.2 | -67.8 | -44 | 0 | 0 | 0 | 111.9 | T120 S121 R122 E170 Y181 | T120-D179 PolarHBondContact O-N 3.42Å; S121-D179 WeakPolarHBondContact CA-OD1 3.44Å; R122-D179 WeakPolarHBondContact CD-OD2 3.48Å; R122-D179 WeakPolarHBondContact CG-OD2 3.49Å; R122-D179 IonicContact CZ-OD2 2.66Å; R122-D179 PolarHBondContact N-OD1 2.92Å; R122-D179 IonicContact NE-OD2 3.99Å; R122-D179 PolarHBondContact NE-OD2 3.26Å; R122-D179 IonicContact NH2-OD2 2.94Å; E170-D179 HydrophobicContact CB-CB 4.28Å; E170-D179 HydrophobicContact CG-CB 3.92Å; E170-D179 PolarHBondContact N-O 2.82Å; D179-Y181 PolarHBondContact O-N 3.3Å | ||
| 180 | P | 95.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.9 | -177.2 | 30.8 | -37.3 | 0 | 0 | 0 | 110.9 | K119 T120 F127 V167 L168 L196 | K119-P180 HydrophobicContact CB-CB 4.07Å; K119-P180 HydrophobicContact CB-CG 3.82Å; K119-P180 HydrophobicContact CG-CB 4.42Å; T120-P180 WeakPolarHBondContact O-CD 3.4Å; F127-P180 HydrophobicContact CB-CG 4.05Å; F127-P180 HydrophobicContact CD2-CG 3.4Å; F127-P180 VanDerWaalsContact CD2-CG 3.4Å; F127-P180 HydrophobicContact CE2-CG 3.98Å; F127-P180 HydrophobicContact CG-CG 3.81Å; V167-P180 HydrophobicContact CG1-CB 3.46Å; V167-P180 VanDerWaalsContact CG1-CB 3.46Å; L168-P180 CarbonylContact O-C 3.55Å; L168-P180 WeakPolarHBondContact O-CA 3.46Å; P180-L196 HydrophobicContact CB-CD1 3.84Å; P180-L196 HydrophobicContact CG-CD1 4.47Å |
| 181 | Y | 95.6 | Very high | 91.9 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -19.1 | -176.5 | 66.6 | -98.3 | 0 | 0 | 0 | 113.8 | L168 C169 E170 D179 L196 P252 | L168-Y181 HydrophobicContact CB-CD1 4.49Å; L168-Y181 HydrophobicContact CB-CD2 4.37Å; L168-Y181 HydrophobicContact CB-CE1 3.89Å; L168-Y181 HydrophobicContact CB-CE2 3.76Å; L168-Y181 VanDerWaalsContact CB-CZ 3.49Å; L168-Y181 HydrophobicContact CD1-CE2 4.08Å; L168-Y181 PolarHBondContact O-N 2.91Å; C169-Y181 VanDerWaalsContact C-CE1 3.48Å; C169-Y181 WeakPolarHBondContact O-CE1 3.24Å; E170-Y181 HydrophobicContact CG-CD1 4.27Å; D179-Y181 PolarHBondContact O-N 3.3Å; Y181-L196 PolarHBondContact O-N 2.98Å; Y181-P252 HydrophobicContact CE2-CB 3.8Å |
| 182 | A | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L168 V193 V194 F204 P252 | L168-A182 HydrophobicContact CB-CB 4.24Å; L168-A182 HydrophobicContact CD1-CB 4.13Å; L168-A182 HydrophobicContact CG-CB 4.37Å; L168-A182 PolarHBondContact N-O 3.34Å; A182-V193 HydrophobicContact CB-CG1 4.04Å; A182-V194 CarbonylContact C-O 3.47Å; A182-V194 WeakPolarHBondContact CA-O 3.2Å; A182-V194 WeakPolarHBondContact CB-O 3.34Å; A182-F204 HydrophobicContact CB-CE2 3.9Å; A182-F204 HydrophobicContact CB-CZ 4.4Å; A182-P252 HydrophobicContact CB-CG 4.34Å |
| 183 | V | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.5 | 168.2 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | I129 L145 F165 M166 V167 V185 V193 V194 L196 | I129-V183 HydrophobicContact CD1-CG2 3.51Å; I129-V183 HydrophobicContact CG2-CG1 4.48Å; I129-V183 HydrophobicContact CG2-CG2 4.28Å; L145-V183 HydrophobicContact CD2-CG1 4.1Å; F165-V183 HydrophobicContact CB-CG1 4.17Å; F165-V183 HydrophobicContact CD2-CG1 3.85Å; F165-V183 HydrophobicContact CG-CG1 4.4Å; M166-V183 CarbonylContact O-C 3.57Å; M166-V183 WeakPolarHBondContact O-CA 3.01Å; M166-V183 WeakPolarHBondContact O-CG1 3.42Å; V167-V183 HydrophobicContact CG2-CG2 4.36Å; V183-V185 HydrophobicContact CG1-CG2 3.89Å; V183-V193 CarbonylContact O-C 3.49Å; V183-V193 VanDerWaalsContact O-CA 3.28Å; V183-V193 WeakPolarHBondContact O-CA 3.3Å; V183-V194 HydrophobicContact CB-CB 4.41Å; V183-V194 PolarHBondContact N-O 3.45Å; V183-V194 PolarHBondContact O-N 2.77Å; V183-L196 HydrophobicContact CG2-CD1 3.63Å; V183-L196 HydrophobicContact CG2-CD2 3.76Å; V183-L196 HydrophobicContact CG2-CG 3.83Å |
| 184 | V | 97.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.6 | 170.9 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | F165 M166 L168 L191 V193 I253 | F165-V184 CarbonylContact C-O 3.56Å; F165-V184 WeakPolarHBondContact CA-O 3.42Å; F165-V184 WeakPolarHBondContact CB-O 3.48Å; M166-V184 HydrophobicContact CG-CB 3.89Å; M166-V184 HydrophobicContact CG-CG2 4.27Å; M166-V184 PolarHBondContact N-O 3.27Å; M166-V184 PolarHBondContact O-N 3.49Å; L168-V184 HydrophobicContact CD1-CG2 3.77Å; L168-V184 HydrophobicContact CD2-CG2 4.01Å; L168-V184 HydrophobicContact CG-CG2 3.86Å; V184-L191 HydrophobicContact CG1-CD1 3.82Å; V184-V193 HydrophobicContact CB-CG2 4.39Å; V184-V193 HydrophobicContact CG1-CG2 4.17Å; V184-V193 HydrophobicContact CG2-CG1 4.21Å; V184-V193 HydrophobicContact CG2-CG2 4.1Å; V184-I253 HydrophobicContact CG1-CD1 4.03Å; V184-I253 HydrophobicContact CG2-CD1 3.84Å; V184-I253 HydrophobicContact CG2-CG1 4.36Å |
| 185 | V | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116 | -178.5 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | L145 I162 F165 V183 L187 I192 | L145-V185 HydrophobicContact CD2-CG2 3.92Å; I162-V185 HydrophobicContact CD1-CG1 4.38Å; I162-V185 HydrophobicContact CG1-CG1 4.07Å; I162-V185 HydrophobicContact CG2-CG1 3.93Å; F165-V185 HydrophobicContact CB-CB 4.33Å; F165-V185 HydrophobicContact CB-CG1 4.24Å; F165-V185 HydrophobicContact CB-CG2 4.08Å; V183-V185 HydrophobicContact CG1-CG2 3.89Å; V185-L187 HydrophobicContact CG1-CD2 3.73Å; V185-I192 HydrophobicContact CB-CD1 4.08Å; V185-I192 HydrophobicContact CB-CG1 3.61Å; V185-I192 HydrophobicContact CG1-CG1 4.39Å; V185-I192 HydrophobicContact CG2-CD1 4.3Å; V185-I192 HydrophobicContact CG2-CG1 4.11Å; V185-I192 PolarHBondContact N-O 2.87Å; V185-I192 PolarHBondContact O-N 3.35Å |
| 186 | L | 95.8 | Very high | 93.8 | Very high | 84 Ų | 84 | 29.8 Ų | 29.8 | 44% | 0.44 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.5 | 171.8 | -179.5 | 64.8 | 0 | 0 | 0 | 109.1 | V163 E164 L191 | V163-L186 HydrophobicContact CB-CD2 4.25Å; V163-L186 HydrophobicContact CB-CG 4.18Å; V163-L186 HydrophobicContact CG1-CD2 4.11Å; V163-L186 PolarHBondContact N-O 3.33Å; E164-L186 PolarHBondContact N-O 3.33Å; E164-L186 PolarHBondContact O-N 2.91Å; L186-L191 HydrophobicContact CD1-CD1 4.41Å |
| 187 | L | 92.8 | Very high | 94 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 164.2 | 174 | -50 | 179.9 | 0 | 0 | 0 | 109.9 | M158 P161 I162 V185 K189 D190 I192 | M158-L187 HydrophobicContact CB-CD1 4.31Å; M158-L187 HydrophobicContact CB-CD2 4.15Å; M158-L187 HydrophobicContact CG-CD2 4.14Å; P161-L187 CarbonylContact O-C 3.6Å; P161-L187 VanDerWaalsContact O-CA 3.27Å; P161-L187 WeakPolarHBondContact O-CA 2.98Å; I162-L187 HydrophobicContact CB-CD2 4.29Å; I162-L187 HydrophobicContact CG1-CD2 3.69Å; V185-L187 HydrophobicContact CG1-CD2 3.73Å; L187-K189 PolarHBondContact O-N 2.87Å; L187-D190 WeakPolarHBondContact CA-O 3.38Å; L187-D190 HydrophobicContact CB-CB 4.36Å; L187-D190 WeakPolarHBondContact CB-O 3.39Å; L187-D190 HydrophobicContact CD1-CB 4.25Å; L187-D190 PolarHBondContact N-O 3.09Å; L187-I192 HydrophobicContact CD1-CD1 4.38Å; L187-I192 HydrophobicContact CD1-CG2 4.25Å |
| 188 | E | 89.3 | Confident | 93.9 | Very high | 126 Ų | 126 | 33 Ų | 33 | 59% | 0.589 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -55.1 | -27.3 | 179.6 | -79.7 | -176.8 | 175.6 | 0 | 0 | 114.2 | P161 V163 | P161-E188 HydrophobicContact CB-CG 4Å; P161-E188 HydrophobicContact CG-CG 4.28Å; P161-E188 PolarHBondContact O-N 3.09Å; V163-E188 HydrophobicContact CG2-CG 3.97Å |
| 189 | K | 85 | Confident | 93.6 | Very high | 106 Ų | 106 | 38.2 Ų | 38.2 | 46% | 0.461 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -135.7 | 6.5 | -175.9 | -52 | -172.6 | -173.6 | 173.6 | 0 | 113.8 | Y160 L187 H213 | Y160-K189 HydrophobicContact CD1-CB 4.24Å; Y160-K189 HydrophobicContact CD1-CD 3.98Å; Y160-K189 HydrophobicContact CD1-CG 4.18Å; Y160-K189 HydrophobicContact CD2-CB 4.07Å; Y160-K189 HydrophobicContact CE1-CB 4.26Å; Y160-K189 HydrophobicContact CE1-CD 3.68Å; Y160-K189 HydrophobicContact CE1-CG 4.29Å; Y160-K189 HydrophobicContact CE2-CB 4.07Å; Y160-K189 HydrophobicContact CG-CB 4.14Å; Y160-K189 HydrophobicContact CG-CG 4.47Å; L187-K189 PolarHBondContact O-N 2.87Å; K189-H213 WeakPolarHBondContact CB-NE2 3.46Å; K189-H213 PolarHBondContact O-CE1 3.03Å; K189-H213 PolarHBondContact O-NE2 2.86Å |
| 190 | D | 88.4 | Confident | 93.4 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | trans | -154.9 | 163.8 | -174.1 | -161.9 | 7.2 | 0 | 0 | 0 | 111.4 | Y160 L187 M210 | Y160-D190 HydrophobicContact CD2-CB 4.05Å; Y160-D190 HydrophobicContact CE2-CB 4.37Å; L187-D190 WeakPolarHBondContact CA-O 3.38Å; L187-D190 HydrophobicContact CB-CB 4.36Å; L187-D190 WeakPolarHBondContact CB-O 3.39Å; L187-D190 HydrophobicContact CD1-CB 4.25Å; L187-D190 PolarHBondContact N-O 3.09Å; D190-M210 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 191 | L | 92.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.9 | 174.9 | 179.4 | 69.3 | 0 | 0 | 0 | 108.8 | V184 L186 N206 | V184-L191 HydrophobicContact CG1-CD1 3.82Å; L186-L191 HydrophobicContact CD1-CD1 4.41Å; L191-N206 PolarHBondContact O-ND2 3.18Å |
| 192 | I | 93 | Very high | 93.3 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.4 | 177.8 | 68.1 | 171.4 | 0 | 0 | 0 | 110.2 | M158 V185 L187 V203 | M158-I192 HydrophobicContact CE-CD1 3.66Å; M158-I192 HydrophobicContact SD-CD1 3.28Å; M158-I192 WeakPolarHBondContact SD-CD1 3.12Å; V185-I192 HydrophobicContact CB-CD1 4.08Å; V185-I192 HydrophobicContact CB-CG1 3.61Å; V185-I192 HydrophobicContact CG1-CG1 4.39Å; V185-I192 HydrophobicContact CG2-CD1 4.3Å; V185-I192 HydrophobicContact CG2-CG1 4.11Å; V185-I192 PolarHBondContact N-O 2.87Å; V185-I192 PolarHBondContact O-N 3.35Å; L187-I192 HydrophobicContact CD1-CD1 4.38Å; L187-I192 HydrophobicContact CD1-CG2 4.25Å; I192-V203 HydrophobicContact CB-CG1 4.2Å |
| 193 | V | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.8 | 172.1 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | A182 V183 V184 V203 F204 W251 P252 I253 | A182-V193 HydrophobicContact CB-CG1 4.04Å; V183-V193 CarbonylContact O-C 3.49Å; V183-V193 VanDerWaalsContact O-CA 3.28Å; V183-V193 WeakPolarHBondContact O-CA 3.3Å; V184-V193 HydrophobicContact CB-CG2 4.39Å; V184-V193 HydrophobicContact CG1-CG2 4.17Å; V184-V193 HydrophobicContact CG2-CG1 4.21Å; V184-V193 HydrophobicContact CG2-CG2 4.1Å; V193-V203 CarbonylContact O-C 3.57Å; V193-V203 VanDerWaalsContact O-CA 3.26Å; V193-V203 WeakPolarHBondContact O-CA 3.16Å; V193-V203 WeakPolarHBondContact O-CG1 3.42Å; V193-F204 HydrophobicContact CB-CB 4.34Å; V193-F204 HydrophobicContact CB-CD2 3.97Å; V193-F204 HydrophobicContact CG1-CD2 3.61Å; V193-F204 HydrophobicContact CG1-CE2 3.97Å; V193-F204 HydrophobicContact CG1-CG 4.43Å; V193-F204 WeakPolarHBondContact O-CD2 3.35Å; V193-F204 PolarHBondContact O-N 2.94Å; V193-W251 HydrophobicContact CB-CH2 4.04Å; V193-W251 HydrophobicContact CB-CZ3 3.87Å; V193-W251 HydrophobicContact CG2-CE3 4.48Å; V193-W251 HydrophobicContact CG2-CH2 3.23Å; V193-W251 HydrophobicContact CG2-CZ2 3.82Å; V193-W251 HydrophobicContact CG2-CZ3 3.6Å; V193-P252 HydrophobicContact CG1-CG 3.65Å; V193-I253 HydrophobicContact CG2-CD1 4.21Å |
| 194 | V | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.4 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | I147 L156 A182 V183 F201 | I147-V194 HydrophobicContact CD1-CG1 4.25Å; L156-V194 HydrophobicContact CD1-CG1 3.86Å; L156-V194 HydrophobicContact CD1-CG2 3.95Å; A182-V194 CarbonylContact C-O 3.47Å; A182-V194 WeakPolarHBondContact CA-O 3.2Å; A182-V194 WeakPolarHBondContact CB-O 3.34Å; V183-V194 HydrophobicContact CB-CB 4.41Å; V183-V194 PolarHBondContact N-O 3.45Å; V183-V194 PolarHBondContact O-N 2.77Å; V194-F201 HydrophobicContact CG1-CB 3.72Å |
| 195 | D | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.7 | 175.5 | -176.6 | -7.4 | 0 | 0 | 0 | 110.7 | T197 Q198 F201 P202 F204 S247 | D195-T197 VanDerWaalsContact C-N 3.35Å; D195-T197 WeakPolarHBondContact OD1-CA 3.32Å; D195-T197 WeakPolarHBondContact OD1-CB 3.22Å; D195-T197 PolarHBondContact OD1-N 3.25Å; D195-T197 PolarHBondContact OD1-OG1 2.88Å; D195-Q198 PolarHBondContact OD2-NE2 2.97Å; D195-F201 WeakPolarHBondContact O-CA 3.41Å; D195-P202 HydrophobicContact CB-CG 4.08Å; D195-P202 VanDerWaalsContact CB-O 3.32Å; D195-P202 WeakPolarHBondContact CB-O 3.45Å; D195-P202 PolarHBondContact N-O 2.94Å; D195-F204 VanDerWaalsContact CA-CE2 3.44Å; D195-F204 HydrophobicContact CB-CD2 4.15Å; D195-F204 HydrophobicContact CB-CE2 3.53Å; D195-F204 HydrophobicContact CB-CZ 3.85Å; D195-S247 PolarHBondContact OD2-OG 3.46Å |
| 196 | L | 95.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -85.2 | -9.4 | 179.4 | -66.1 | 178.6 | 0 | 0 | 0 | 113.5 | F127 I129 I147 V167 P180 Y181 V183 Q198 F201 | F127-L196 HydrophobicContact CD1-CD1 4.48Å; F127-L196 HydrophobicContact CD1-CD2 4.32Å; F127-L196 HydrophobicContact CE1-CB 4.23Å; F127-L196 HydrophobicContact CE1-CD2 4.16Å; F127-L196 HydrophobicContact CZ-CB 4.48Å; I129-L196 HydrophobicContact CD1-CD1 3.74Å; I129-L196 HydrophobicContact CD1-CD2 4.09Å; I147-L196 HydrophobicContact CD1-CD2 3.82Å; I147-L196 HydrophobicContact CG2-CD2 4.32Å; V167-L196 HydrophobicContact CG1-CD1 4.01Å; P180-L196 HydrophobicContact CB-CD1 3.84Å; P180-L196 HydrophobicContact CG-CD1 4.47Å; Y181-L196 PolarHBondContact O-N 2.98Å; V183-L196 HydrophobicContact CG2-CD1 3.63Å; V183-L196 HydrophobicContact CG2-CD2 3.76Å; V183-L196 HydrophobicContact CG2-CG 3.83Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; L196-F201 HydrophobicContact CD2-CD1 4.04Å; L196-F201 HydrophobicContact CD2-CE1 4.09Å |
| 197 | T | 93.1 | Very high | 91.1 | Very high | 68 Ų | 68 | 46 Ų | 46 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -82.3 | -12.1 | -175.4 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | D195 K249 | D195-T197 VanDerWaalsContact C-N 3.35Å; D195-T197 WeakPolarHBondContact OD1-CA 3.32Å; D195-T197 WeakPolarHBondContact OD1-CB 3.22Å; D195-T197 PolarHBondContact OD1-N 3.25Å; D195-T197 PolarHBondContact OD1-OG1 2.88Å; T197-K249 VanDerWaalsContact CG2-NZ 3.32Å; T197-K249 WeakPolarHBondContact OG1-CE 3.32Å; T197-K249 PolarHBondContact OG1-NZ 3.45Å |
| 198 | Q | 90 | Very high | 90.5 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -112.7 | 141.7 | 177.1 | -60.9 | -178.8 | 58.4 | 0 | 0 | 110.6 | D195 L196 N200 F201 P202 S247 | D195-Q198 PolarHBondContact OD2-NE2 2.97Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; Q198-N200 VanDerWaalsContact C-N 3.26Å; Q198-N200 PolarHBondContact O-N 3.48Å; Q198-F201 VanDerWaalsContact O-CD1 3.27Å; Q198-F201 WeakPolarHBondContact O-CD1 3.39Å; Q198-F201 PolarHBondContact O-N 3.43Å; Q198-F201 VanDerWaalsContact O-N 3.08Å; Q198-P202 HydrophobicContact CB-CG 4.09Å; Q198-P202 HydrophobicContact CG-CG 4.4Å; Q198-S247 PolarHBondContact NE2-OG 3.4Å |
| 199 | S | 86 | Confident | 89.6 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 81% | 0.811 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21 | -172 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 200 | N | 89.7 | Confident | 89.2 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0 | 176.1 | 64.3 | -35.7 | 0 | 0 | 0 | 113.5 | Q198 P202 | Q198-N200 VanDerWaalsContact C-N 3.26Å; Q198-N200 PolarHBondContact O-N 3.48Å; N200-P202 WeakPolarHBondContact OD1-CD 3.34Å |
| 201 | F | 94.3 | Very high | 88.6 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | 48.6 | 58.6 | 179 | -54 | -52.2 | 0 | 0 | 0 | 114.2 | F127 I147 T154 V194 D195 L196 Q198 | F127-F201 HydrophobicContact CE1-CE1 4.1Å; F127-F201 HydrophobicContact CE1-CZ 4.36Å; I147-F201 HydrophobicContact CB-CD2 4.43Å; I147-F201 HydrophobicContact CB-CE2 4.04Å; I147-F201 HydrophobicContact CB-CZ 4.36Å; I147-F201 HydrophobicContact CD1-CB 4.32Å; I147-F201 HydrophobicContact CD1-CD1 4.27Å; I147-F201 HydrophobicContact CD1-CD2 3.94Å; I147-F201 HydrophobicContact CD1-CE2 4.31Å; I147-F201 HydrophobicContact CD1-CG 3.92Å; I147-F201 HydrophobicContact CG2-CD2 4.46Å; I147-F201 HydrophobicContact CG2-CE1 4.14Å; I147-F201 HydrophobicContact CG2-CE2 3.76Å; I147-F201 HydrophobicContact CG2-CZ 3.58Å; T154-F201 HydrophobicContact CG2-CD2 3.88Å; T154-F201 HydrophobicContact CG2-CE2 4.3Å; V194-F201 HydrophobicContact CG1-CB 3.72Å; D195-F201 WeakPolarHBondContact O-CA 3.41Å; L196-F201 HydrophobicContact CD2-CD1 4.04Å; L196-F201 HydrophobicContact CD2-CE1 4.09Å; Q198-F201 VanDerWaalsContact O-CD1 3.27Å; Q198-F201 WeakPolarHBondContact O-CD1 3.39Å; Q198-F201 PolarHBondContact O-N 3.43Å; Q198-F201 VanDerWaalsContact O-N 3.08Å | ||
| 202 | P | 94.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 153.1 | 179.5 | 30.8 | -31.4 | 0 | 0 | 0 | 110.6 | D195 Q198 N200 G245 | D195-P202 HydrophobicContact CB-CG 4.08Å; D195-P202 VanDerWaalsContact CB-O 3.32Å; D195-P202 WeakPolarHBondContact CB-O 3.45Å; D195-P202 PolarHBondContact N-O 2.94Å; Q198-P202 HydrophobicContact CB-CG 4.09Å; Q198-P202 HydrophobicContact CG-CG 4.4Å; N200-P202 WeakPolarHBondContact OD1-CD 3.34Å; P202-G245 WeakPolarHBondContact CB-O 3.43Å |
| 203 | V | 93.1 | Very high | 87.8 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -83.6 | 145.4 | 177 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | I192 V193 Y246 S247 | I192-V203 HydrophobicContact CB-CG1 4.2Å; V193-V203 CarbonylContact O-C 3.57Å; V193-V203 VanDerWaalsContact O-CA 3.26Å; V193-V203 WeakPolarHBondContact O-CA 3.16Å; V193-V203 WeakPolarHBondContact O-CG1 3.42Å; V203-Y246 HydrophobicContact CB-CD1 4.39Å; V203-Y246 CarbonylContact O-C 3.49Å; V203-Y246 WeakPolarHBondContact O-CA 3.38Å; V203-Y246 VanDerWaalsContact O-CD1 3.29Å; V203-Y246 WeakPolarHBondContact O-CD1 3.41Å; V203-S247 PolarHBondContact O-N 2.89Å |
| 204 | F | 92.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 147.2 | 168.8 | -68.2 | -99 | 0 | 0 | 0 | 110.4 | A182 V193 D195 N206 K249 E250 W251 P252 | A182-F204 HydrophobicContact CB-CE2 3.9Å; A182-F204 HydrophobicContact CB-CZ 4.4Å; V193-F204 HydrophobicContact CB-CB 4.34Å; V193-F204 HydrophobicContact CB-CD2 3.97Å; V193-F204 HydrophobicContact CG1-CD2 3.61Å; V193-F204 HydrophobicContact CG1-CE2 3.97Å; V193-F204 HydrophobicContact CG1-CG 4.43Å; V193-F204 WeakPolarHBondContact O-CD2 3.35Å; V193-F204 PolarHBondContact O-N 2.94Å; D195-F204 VanDerWaalsContact CA-CE2 3.44Å; D195-F204 HydrophobicContact CB-CD2 4.15Å; D195-F204 HydrophobicContact CB-CE2 3.53Å; D195-F204 HydrophobicContact CB-CZ 3.85Å; F204-N206 PolarHBondContact O-N 2.89Å; F204-K249 HydrophobicContact CD1-CB 4.39Å; F204-K249 HydrophobicContact CE1-CB 3.61Å; F204-K249 HydrophobicContact CZ-CB 4.4Å; F204-E250 WeakPolarHBondContact CD1-O 3.4Å; F204-E250 WeakPolarHBondContact CE1-O 3.42Å; F204-W251 HydrophobicContact CB-CE3 3.71Å; F204-W251 HydrophobicContact CB-CZ3 3.95Å; F204-P252 HydrophobicContact CD1-CG 4.48Å; F204-P252 HydrophobicContact CD2-CG 4.34Å; F204-P252 HydrophobicContact CE1-CG 4.3Å; F204-P252 HydrophobicContact CE2-CG 4.14Å; F204-P252 HydrophobicContact CG-CG 4.49Å; F204-P252 HydrophobicContact CZ-CG 4.14Å |
| 205 | E | 87.8 | Confident | 87 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 117.1 | 170.9 | -171.4 | 171.9 | -157.7 | 0 | 0 | 108.4 | P207 K242 Y246 | E205-P207 WeakPolarHBondContact O-CD 3.43Å; E205-K242 IonicContact OE1-NZ 2.72Å; E205-K242 PolarHBondContact OE1-NZ 2.73Å; E205-K242 IonicContact OE2-NZ 3.36Å; E205-K242 PolarHBondContact OE2-NZ 3.2Å; E205-Y246 HydrophobicContact CB-CD1 4.28Å; E205-Y246 HydrophobicContact CB-CG 4.31Å |
| 206 | N | 86.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 118.5 | 179.5 | -173.5 | -13.1 | 0 | 0 | 0 | 109.1 | L191 F204 Y208 W251 | L191-N206 PolarHBondContact O-ND2 3.18Å; F204-N206 PolarHBondContact O-N 2.89Å; N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.16Å; N206-Y208 PolarHBondContact O-N 2.88Å; N206-Y208 WeakPolarHBondContact OD1-CD2 2.97Å; N206-Y208 PolarHBondContact OD1-N 2.9Å; N206-Y208 PolarHBondContact OD1-O 3.43Å; N206-W251 HydrophobicContact CB-CH2 4.14Å; N206-W251 HydrophobicContact CB-CZ3 4.04Å |
| 207 | P | 80.6 | Confident | 86.7 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -73.9 | -10.5 | -179.8 | 31.2 | -35.3 | 0 | 0 | 0 | 112.8 | E205 W251 | E205-P207 WeakPolarHBondContact O-CD 3.43Å; P207-W251 HydrophobicContact CG-CB 4.3Å; P207-W251 HydrophobicContact CG-CD2 3.94Å; P207-W251 HydrophobicContact CG-CG 3.77Å |
| 208 | Y | 79.4 | Confident | 86.7 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 42% | 0.424 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -106.7 | 121.3 | 179 | -48.2 | -70.8 | 0 | 0 | 0 | 109.7 | N206 M210 W251 | N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.16Å; N206-Y208 PolarHBondContact O-N 2.88Å; N206-Y208 WeakPolarHBondContact OD1-CD2 2.97Å; N206-Y208 PolarHBondContact OD1-N 2.9Å; N206-Y208 PolarHBondContact OD1-O 3.43Å; Y208-M210 PolarHBondContact O-N 3.43Å; Y208-M210 VanDerWaalsContact O-N 3.13Å; Y208-W251 AromaticContact CE2-NE1 3.96Å |
| 209 | P | 70.7 | Confident | 86.8 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | trans | -71.8 | 112.5 | -178.1 | 26.6 | -31.5 | 0 | 0 | 0 | 110.9 | D211 W281 L288 | P209-D211 WeakPolarHBondContact CB-OD1 3.49Å; P209-W281 HydrophobicContact CB-CE3 4.28Å; P209-W281 HydrophobicContact CB-CH2 4.38Å; P209-W281 HydrophobicContact CB-CZ3 3.5Å; P209-W281 HydrophobicContact CG-CE3 4.3Å; P209-W281 HydrophobicContact CG-CZ3 3.97Å; P209-L288 WeakPolarHBondContact CD-O 3.43Å; P209-L288 HydrophobicContact CG-CB 4.17Å; P209-L288 HydrophobicContact CG-CG 4.3Å; P209-L288 WeakPolarHBondContact CG-O 3.31Å | ||
| 210 | M | 75.6 | Confident | 87.3 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | trans | -93.1 | 0.2 | 169.1 | -61.6 | -61.2 | 161 | 0 | 0 | 111.5 | D190 Y208 I212 H213 | D190-M210 WeakPolarHBondContact OD1-CB 3.16Å; Y208-M210 PolarHBondContact O-N 3.43Å; Y208-M210 VanDerWaalsContact O-N 3.13Å; M210-I212 PolarHBondContact O-N 3.1Å; M210-H213 PolarHBondContact O-CE1 2.86Å; M210-H213 PolarHBondContact O-ND1 3.07Å | ||
| 211 | D | 76.5 | Confident | 87.5 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -93 | 5.2 | -164 | 72.5 | -43.7 | 0 | 0 | 0 | 114.6 | P209 H213 E214 K279 W281 M290 | P209-D211 WeakPolarHBondContact CB-OD1 3.49Å; D211-H213 PolarHBondContact O-N 3.24Å; D211-H213 VanDerWaalsContact O-N 3.14Å; D211-E214 HydrophobicContact CB-CG 3.92Å; D211-E214 WeakPolarHBondContact O-CB 3.49Å; D211-E214 WeakPolarHBondContact O-CG 2.73Å; D211-E214 PolarHBondContact O-N 3.46Å; D211-E214 VanDerWaalsContact O-N 3.16Å; D211-K279 PolarHBondContact O-NZ 2.66Å; D211-K279 IonicContact OD2-NZ 2.94Å; D211-K279 PolarHBondContact OD2-NZ 3.19Å; D211-W281 VanDerWaalsContact OD1-CH2 3.26Å; D211-W281 WeakPolarHBondContact OD1-CH2 3.13Å; D211-W281 WeakPolarHBondContact OD1-CZ3 2.81Å; D211-M290 WeakPolarHBondContact OD2-CE 3.41Å; D211-M290 VanDerWaalsContact OD2-SD 3.39Å |
| 212 | I | 86 | Confident | 87.6 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -57.1 | -30 | 177.5 | -168.5 | 172.7 | 0 | 0 | 0 | 112.5 | M210 V217 T271 H273 W281 T872 I874 | M210-I212 PolarHBondContact O-N 3.1Å; I212-V217 HydrophobicContact CG1-CG2 3.99Å; I212-T271 HydrophobicContact CD1-CG2 4.42Å; I212-H273 PolarHBondContact O-CE1 3.05Å; I212-W281 HydrophobicContact CB-CH2 4.13Å; I212-W281 HydrophobicContact CB-CZ2 4.11Å; I212-W281 HydrophobicContact CG1-CZ2 4.12Å; I212-T872 VanDerWaalsContact CG2-O 3.27Å; I212-T872 WeakPolarHBondContact CG2-O 3.42Å; I212-I874 HydrophobicContact CD1-CD1 3.42Å; I212-I874 VanDerWaalsContact CD1-CD1 3.42Å; I212-I874 HydrophobicContact CD1-CG1 3.51Å |
| 213 | H | 81.8 | Confident | 87.5 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -97.8 | 7.2 | -176.2 | 71.4 | -86 | 0 | 0 | 0 | 113.9 | K189 M210 D211 S215 P871 T872 | K189-H213 WeakPolarHBondContact CB-NE2 3.46Å; K189-H213 PolarHBondContact O-CE1 3.03Å; K189-H213 PolarHBondContact O-NE2 2.86Å; M210-H213 PolarHBondContact O-CE1 2.86Å; M210-H213 PolarHBondContact O-ND1 3.07Å; D211-H213 PolarHBondContact O-N 3.24Å; D211-H213 VanDerWaalsContact O-N 3.14Å; H213-S215 PolarHBondContact O-N 2.73Å; H213-P871 WeakPolarHBondContact CB-O 3.42Å; H213-T872 HydrophobicContact CB-CG2 3.64Å |
| 214 | E | 85.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 40 Ų | 40 | 45% | 0.453 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -49.3 | -34.3 | 174.8 | -82.9 | -176 | 157.8 | 0 | 0 | 111.7 | D211 K279 K293 | D211-E214 HydrophobicContact CB-CG 3.92Å; D211-E214 WeakPolarHBondContact O-CB 3.49Å; D211-E214 WeakPolarHBondContact O-CG 2.73Å; D211-E214 PolarHBondContact O-N 3.46Å; D211-E214 VanDerWaalsContact O-N 3.16Å; E214-K279 IonicContact OE2-NZ 2.67Å; E214-K279 PolarHBondContact OE2-NZ 2.91Å; E214-K293 IonicContact OE2-NZ 3.96Å; E214-K293 PolarHBondContact OE2-NZ 3.04Å |
| 215 | S | 90.7 | Very high | 87 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -142.2 | 144.6 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | H213 V217 H273 A274 D275 | H213-S215 PolarHBondContact O-N 2.73Å; S215-V217 PolarHBondContact O-N 2.84Å; S215-H273 PolarHBondContact O-ND1 2.99Å; S215-A274 PolarHBondContact OG-N 3.48Å; S215-D275 WeakPolarHBondContact CB-OD1 3.28Å; S215-D275 WeakPolarHBondContact OG-CB 3.15Å; S215-D275 PolarHBondContact OG-N 3.35Å; S215-D275 PolarHBondContact OG-OD1 2.94Å |
| 216 | P | 91.9 | Very high | 87.3 | Confident | 94 Ų | 94 | 40.8 Ų | 40.8 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | trans | -51.5 | 128.1 | 179.6 | -27.5 | 34.3 | 0 | 0 | 0 | 112.4 | T218 H273 A274 | P216-T218 PolarHBondContact O-N 2.93Å; P216-H273 CarbonylContact O-C 3.28Å; P216-H273 VanDerWaalsContact O-CA 3.3Å; P216-H273 WeakPolarHBondContact O-CA 3.31Å; P216-A274 HydrophobicContact CB-CB 4.2Å; P216-A274 HydrophobicContact CG-CB 4.39Å; P216-A274 PolarHBondContact O-N 3.29Å | ||
| 217 | V | 93.6 | Very high | 87.6 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.5 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 109 | I212 S215 T220 T271 G272 L868 | I212-V217 HydrophobicContact CG1-CG2 3.99Å; S215-V217 PolarHBondContact O-N 2.84Å; V217-T220 HydrophobicContact CG1-CG2 3.89Å; V217-T271 HydrophobicContact CG1-CG2 4.43Å; V217-G272 WeakPolarHBondContact CA-O 3.37Å; V217-L868 HydrophobicContact CB-CD2 3.66Å; V217-L868 HydrophobicContact CG1-CD1 4.17Å; V217-L868 HydrophobicContact CG1-CD2 4.07Å; V217-L868 HydrophobicContact CG2-CD2 3.85Å |
| 218 | T | 93 | Very high | 88.1 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 29% | 0.288 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -30.9 | -177.1 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | P216 G272 A274 V321 | P216-T218 PolarHBondContact O-N 2.93Å; T218-G272 PolarHBondContact N-O 3.44Å; T218-G272 PolarHBondContact OG1-O 3.24Å; T218-G272 VanDerWaalsContact OG1-O 3.1Å; T218-A274 HydrophobicContact CG2-CB 3.95Å; T218-V321 WeakPolarHBondContact CB-O 3.49Å; T218-V321 PolarHBondContact OG1-O 3.33Å |
| 219 | C | 93 | Very high | 88.7 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 157.9 | 174 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | G272 Q322 | C219-G272 PolarHBondContact N-O 3.24Å; C219-G272 PolarHBondContact O-N 3.28Å; C219-Q322 WeakPolarHBondContact CB-O 2.94Å |
| 220 | T | 95.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 153.7 | 176 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | V217 I270 T271 T856 C858 L868 | V217-T220 HydrophobicContact CG1-CG2 3.89Å; T220-I270 CarbonylContact C-O 3.56Å; T220-I270 WeakPolarHBondContact CA-O 3.35Å; T220-T271 HydrophobicContact CG2-CG2 4.32Å; T220-T856 HydrophobicContact CG2-CG2 4.03Å; T220-T856 VanDerWaalsContact OG1-C 3.29Å; T220-T856 VanDerWaalsContact OG1-CA 3.23Å; T220-T856 WeakPolarHBondContact OG1-CA 3.38Å; T220-T856 PolarHBondContact OG1-O 3.14Å; T220-C858 PolarHBondContact O-SG 2.72Å; T220-C858 PolarHBondContact OG1-SG 3.18Å; T220-C858 VanDerWaalsContact OG1-SG 3.41Å; T220-L868 HydrophobicContact CG2-CD1 3.71Å |
| 221 | A | 95.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 142.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | F223 I269 I270 V324 | A221-F223 HydrophobicContact CB-CD2 4.45Å; A221-F223 HydrophobicContact CB-CE2 3.5Å; A221-F223 HydrophobicContact CB-CZ 3.99Å; A221-I269 WeakPolarHBondContact O-CA 3.33Å; A221-I270 HydrophobicContact CB-CB 4.4Å; A221-I270 PolarHBondContact N-O 3.2Å; A221-I270 PolarHBondContact O-N 3.19Å; A221-V324 HydrophobicContact CB-CG2 3.81Å |
| 222 | Y | 95.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 121.2 | -173.1 | -177.4 | -156 | 0 | 0 | 0 | 111.2 | E267 I269 T860 Q864 L866 R876 | Y222-E267 HydrophobicContact CE2-CB 4.26Å; Y222-E267 PolarHBondContact OH-OE1 2.89Å; Y222-I269 HydrophobicContact CD2-CG1 3.79Å; Y222-I269 HydrophobicContact CE2-CG1 4.22Å; Y222-I269 HydrophobicContact CG-CG1 4.49Å; Y222-T860 HydrophobicContact CD1-CG2 3.39Å; Y222-T860 HydrophobicContact CD2-CG2 4.47Å; Y222-T860 HydrophobicContact CE1-CG2 3.2Å; Y222-T860 HydrophobicContact CE2-CG2 4.27Å; Y222-T860 HydrophobicContact CG-CG2 4.05Å; Y222-T860 PolarHBondContact O-OG1 2.79Å; Y222-T860 VanDerWaalsContact O-OG1 3.12Å; Y222-Q864 HydrophobicContact CE1-CB 4.05Å; Y222-Q864 PolarHBondContact OH-NE2 2.85Å; Y222-L866 HydrophobicContact CD1-CB 4.31Å; Y222-L866 HydrophobicContact CD1-CD2 3.49Å; Y222-L866 VanDerWaalsContact CD1-CD2 3.49Å; Y222-L866 HydrophobicContact CD1-CG 3.71Å; Y222-L866 HydrophobicContact CD2-CD2 3.9Å; Y222-L866 HydrophobicContact CE1-CD2 4.01Å; Y222-L866 HydrophobicContact CE1-CG 4.38Å; Y222-L866 HydrophobicContact CE2-CD2 4.43Å; Y222-L866 HydrophobicContact CG-CD2 3.42Å; Y222-L866 VanDerWaalsContact CG-CD2 3.42Å; Y222-L866 HydrophobicContact CG-CG 4Å; Y222-R876 WeakPolarHBondContact OH-CD 3.42Å |
| 223 | F | 93.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 106.6 | -175.2 | -57.1 | -93.4 | 0 | 0 | 0 | 109.4 | A221 C226 E267 I268 I270 W326 P328 | A221-F223 HydrophobicContact CB-CD2 4.45Å; A221-F223 HydrophobicContact CB-CE2 3.5Å; A221-F223 HydrophobicContact CB-CZ 3.99Å; F223-C226 VanDerWaalsContact CB-SG 3.5Å; F223-C226 PolarHBondContact O-SG 2.92Å; F223-C226 VanDerWaalsContact O-SG 3.34Å; F223-E267 WeakPolarHBondContact O-CA 2.93Å; F223-I268 PolarHBondContact N-O 2.87Å; F223-I268 PolarHBondContact O-N 2.71Å; F223-I270 HydrophobicContact CD2-CD1 4.41Å; F223-I270 HydrophobicContact CE2-CD1 3.89Å; F223-I270 HydrophobicContact CE2-CG1 4.35Å; F223-W326 HydrophobicContact CB-CE3 4.5Å; F223-W326 HydrophobicContact CB-CZ3 4.2Å; F223-W326 HydrophobicContact CD1-CE3 4.13Å; F223-W326 AromaticContact CD2-CE3 3.56Å; F223-W326 HydrophobicContact CD2-CE3 3.56Å; F223-W326 AromaticContact CD2-CZ3 3.93Å; F223-W326 HydrophobicContact CD2-CZ3 3.93Å; F223-W326 HydrophobicContact CE1-CB 4.39Å; F223-W326 HydrophobicContact CE1-CE3 4.23Å; F223-W326 HydrophobicContact CE2-CB 4.23Å; F223-W326 AromaticContact CE2-CE3 3.67Å; F223-W326 HydrophobicContact CE2-CE3 3.67Å; F223-W326 HydrophobicContact CE2-CZ3 4.48Å; F223-W326 AromaticContact CG-CE3 3.8Å; F223-W326 HydrophobicContact CG-CE3 3.8Å; F223-W326 AromaticContact CG-CZ3 3.99Å; F223-W326 HydrophobicContact CG-CZ3 3.99Å; F223-W326 HydrophobicContact CZ-CB 3.79Å; F223-W326 HydrophobicContact CZ-CE3 4.02Å; F223-P328 HydrophobicContact CD1-CG 4.1Å |
| 224 | A | 89.7 | Confident | 92.3 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.1 | 159.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C226 Y265 T860 N861 | A224-C226 PolarHBondContact O-N 3.25Å; A224-Y265 HydrophobicContact CB-CD2 4.4Å; A224-Y265 HydrophobicContact CB-CE2 3.76Å; A224-T860 HydrophobicContact CB-CG2 3.75Å; A224-T860 PolarHBondContact N-OG1 2.9Å; A224-T860 VanDerWaalsContact N-OG1 3.14Å; A224-N861 HydrophobicContact CB-CB 4.46Å |
| 225 | D | 86.5 | Confident | 92.6 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 57% | 0.572 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 54.6 | 47.3 | 177 | -164.9 | 31.7 | 0 | 0 | 0 | 114 | P266 | D225-P266 PolarHBondContact N-O 2.83Š|
| 226 | C | 92.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | trans | -73.5 | 157.4 | 175.9 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | F223 A224 I230 P266 I268 | F223-C226 VanDerWaalsContact CB-SG 3.5Å; F223-C226 PolarHBondContact O-SG 2.92Å; F223-C226 VanDerWaalsContact O-SG 3.34Å; A224-C226 PolarHBondContact O-N 3.25Å; C226-I230 HydrophobicContact CB-CG2 3.83Å; C226-P266 HydrophobicContact CB-CB 4.02Å; C226-P266 WeakPolarHBondContact CB-O 3.41Å; C226-P266 PolarHBondContact N-O 3.25Å; C226-P266 VanDerWaalsContact O-CG 3.32Å; C226-P266 WeakPolarHBondContact O-CG 3.39Å; C226-I268 HydrophobicContact CB-CG1 4.42Å | ||
| 227 | P | 92.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | trans | -52.7 | 135.6 | 174.4 | -27.7 | 35.1 | 0 | 0 | 0 | 112.5 | D229 I230 P328 | P227-D229 PolarHBondContact O-N 2.86Å; P227-I230 WeakPolarHBondContact O-CB 3.38Å; P227-I230 VanDerWaalsContact O-CG2 3.27Å; P227-I230 WeakPolarHBondContact O-CG2 3.43Å; P227-I230 PolarHBondContact O-N 3Å; P227-P328 HydrophobicContact CG-CB 4.2Å | ||
| 228 | P | 91.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 37.9 Ų | 37.9 | 71% | 0.708 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | -170.9 | 23.6 | -34.5 | 0 | 0 | 0 | 114.7 | P232 | P228-P232 WeakPolarHBondContact O-CD 3.45Š|
| 229 | D | 92.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -4.9 | 179.9 | 74.8 | -37 | 0 | 0 | 0 | 113.8 | P227 I233 R331 | P227-D229 PolarHBondContact O-N 2.86Å; D229-I233 WeakPolarHBondContact O-CB 3.35Å; D229-I233 VanDerWaalsContact O-CG2 3.25Å; D229-I233 WeakPolarHBondContact O-CG2 3.47Å; D229-I233 PolarHBondContact O-N 2.93Å; D229-I233 VanDerWaalsContact O-N 3.16Å; D229-R331 IonicContact OD1-NH2 2.95Å; D229-R331 PolarHBondContact OD1-NH2 2.84Å; D229-R331 VanDerWaalsContact OD1-NH2 3.11Å; D229-R331 IonicContact OD2-CZ 2.83Å; D229-R331 IonicContact OD2-NH2 3.43Å; D229-R331 PolarHBondContact OD2-NH2 2.92Å |
| 230 | I | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -38.8 | -175.2 | -154.7 | 64.2 | 0 | 0 | 0 | 113.2 | C226 P227 I233 L234 I268 W326 R331 | C226-I230 HydrophobicContact CB-CG2 3.83Å; P227-I230 WeakPolarHBondContact O-CB 3.38Å; P227-I230 VanDerWaalsContact O-CG2 3.27Å; P227-I230 WeakPolarHBondContact O-CG2 3.43Å; P227-I230 PolarHBondContact O-N 3Å; I230-I233 HydrophobicContact CD1-CG2 4.2Å; I230-I233 VanDerWaalsContact O-CG2 3.3Å; I230-I233 WeakPolarHBondContact O-CG2 3.5Å; I230-L234 HydrophobicContact CG1-CD1 4.07Å; I230-L234 HydrophobicContact CG1-CG 4.39Å; I230-L234 WeakPolarHBondContact O-CB 3.33Å; I230-L234 WeakPolarHBondContact O-CG 3.39Å; I230-L234 PolarHBondContact O-N 2.99Å; I230-I268 HydrophobicContact CG2-CD1 4.45Å; I230-I268 HydrophobicContact CG2-CG1 4.13Å; I230-W326 HydrophobicContact CD1-CZ2 4.17Å; I230-W326 HydrophobicContact CG1-CH2 3.98Å; I230-W326 HydrophobicContact CG1-CZ2 3.92Å; I230-R331 HydrophobicContact CD1-CG 4.08Å |
| 231 | I | 93.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -52.7 | 178.8 | -69.5 | 170.4 | 0 | 0 | 0 | 110.2 | I233 L234 Y235 P266 I268 D282 S284 L291 | I231-I233 VanDerWaalsContact C-N 3.26Å; I231-I233 PolarHBondContact O-N 3.09Å; I231-L234 PolarHBondContact O-N 2.94Å; I231-Y235 WeakPolarHBondContact O-CB 3.38Å; I231-Y235 PolarHBondContact O-N 3.43Å; I231-P266 HydrophobicContact CD1-CB 3.67Å; I231-P266 HydrophobicContact CG1-CB 4.33Å; I231-I268 HydrophobicContact CD1-CD1 4.48Å; I231-I268 HydrophobicContact CG1-CD1 3.76Å; I231-D282 WeakPolarHBondContact CD1-OD1 3.16Å; I231-S284 WeakPolarHBondContact CD1-OG 3.38Å; I231-L291 HydrophobicContact CB-CD1 4.39Å; I231-L291 HydrophobicContact CG1-CD1 4.08Å; I231-L291 HydrophobicContact CG2-CD1 4.18Å; I231-L291 HydrophobicContact CG2-CD2 4.16Å |
| 232 | P | 93.3 | Very high | 86 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 177.7 | -26.3 | 33.7 | 0 | 0 | 0 | 113.1 | P228 S236 | P228-P232 WeakPolarHBondContact O-CD 3.45Å; P232-S236 WeakPolarHBondContact O-CB 3.49Å; P232-S236 PolarHBondContact O-N 2.9Å |
| 233 | I | 93 | Very high | 84.4 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.7 | -44 | -178 | -157.1 | 177 | 0 | 0 | 0 | 111.9 | D229 I230 I231 S236 I237 F347 K349 | D229-I233 WeakPolarHBondContact O-CB 3.35Å; D229-I233 VanDerWaalsContact O-CG2 3.25Å; D229-I233 WeakPolarHBondContact O-CG2 3.47Å; D229-I233 PolarHBondContact O-N 2.93Å; D229-I233 VanDerWaalsContact O-N 3.16Å; I230-I233 HydrophobicContact CD1-CG2 4.2Å; I230-I233 VanDerWaalsContact O-CG2 3.3Å; I230-I233 WeakPolarHBondContact O-CG2 3.5Å; I231-I233 VanDerWaalsContact C-N 3.26Å; I231-I233 PolarHBondContact O-N 3.09Å; I233-S236 PolarHBondContact O-N 3.04Å; I233-S236 PolarHBondContact O-OG 3.12Å; I233-I237 WeakPolarHBondContact O-CG1 3.44Å; I233-I237 PolarHBondContact O-N 2.75Å; I233-F347 HydrophobicContact CD1-CE1 3.39Å; I233-F347 HydrophobicContact CD1-CZ 3.46Å; I233-F347 VanDerWaalsContact CD1-CZ 3.46Å; I233-F347 HydrophobicContact CG1-CE1 4.23Å; I233-F347 HydrophobicContact CG1-CZ 3.78Å; I233-F347 HydrophobicContact CG2-CZ 4.2Å; I233-K349 HydrophobicContact CD1-CD 4.06Å; I233-K349 HydrophobicContact CD1-CG 3.81Å |
| 234 | L | 93.5 | Very high | 83 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 177.1 | -70.5 | 178.9 | 0 | 0 | 0 | 111.2 | I230 I231 S236 I237 G238 I268 F280 L291 Y292 F347 Y428 | I230-L234 HydrophobicContact CG1-CD1 4.07Å; I230-L234 HydrophobicContact CG1-CG 4.39Å; I230-L234 WeakPolarHBondContact O-CB 3.33Å; I230-L234 WeakPolarHBondContact O-CG 3.39Å; I230-L234 PolarHBondContact O-N 2.99Å; I231-L234 PolarHBondContact O-N 2.94Å; L234-S236 PolarHBondContact O-N 2.62Å; L234-I237 HydrophobicContact CD2-CD1 3.98Å; L234-I237 WeakPolarHBondContact O-CG1 3.3Å; L234-I237 PolarHBondContact O-N 3.27Å; L234-G238 PolarHBondContact O-N 3.49Å; L234-I268 HydrophobicContact CD1-CD1 4.44Å; L234-F280 HydrophobicContact CD1-CB 4.33Å; L234-F280 HydrophobicContact CD1-CD1 3.89Å; L234-F280 HydrophobicContact CD1-CG 4.34Å; L234-L291 HydrophobicContact CB-CB 3.97Å; L234-L291 HydrophobicContact CB-CD1 4.31Å; L234-L291 HydrophobicContact CD1-CD1 4.46Å; L234-Y292 HydrophobicContact CD2-CG 4.44Å; L234-F347 HydrophobicContact CD2-CE2 4.08Å; L234-Y428 HydrophobicContact CD2-CE2 4.03Å |
| 235 | Y | 91.1 | Very high | 82.4 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 46% | 0.459 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 172.6 | -174.4 | -92.2 | 0 | 0 | 0 | 111.5 | I231 I237 G238 A239 L291 | I231-Y235 WeakPolarHBondContact O-CB 3.38Å; I231-Y235 PolarHBondContact O-N 3.43Å; Y235-I237 VanDerWaalsContact C-N 3.29Å; Y235-I237 PolarHBondContact O-N 2.99Å; Y235-G238 PolarHBondContact O-N 2.83Å; Y235-A239 HydrophobicContact CE1-CB 4.35Å; Y235-A239 WeakPolarHBondContact O-CB 3.39Å; Y235-A239 PolarHBondContact O-N 3.16Å; Y235-L291 HydrophobicContact CD2-CD2 4.11Å |
| 236 | S | 90.2 | Very high | 82.5 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | -177.1 | 76.7 | 0 | 0 | 0 | 0 | 113.9 | P232 I233 L234 | P232-S236 WeakPolarHBondContact O-CB 3.49Å; P232-S236 PolarHBondContact O-N 2.9Å; I233-S236 PolarHBondContact O-N 3.04Å; I233-S236 PolarHBondContact O-OG 3.12Å; L234-S236 PolarHBondContact O-N 2.62Å |
| 237 | I | 89.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -84 | -33.2 | 177.6 | 62.5 | 170.6 | 0 | 0 | 0 | 112 | I233 L234 Y235 Y292 F347 P426 G427 | I233-I237 WeakPolarHBondContact O-CG1 3.44Å; I233-I237 PolarHBondContact O-N 2.75Å; L234-I237 HydrophobicContact CD2-CD1 3.98Å; L234-I237 WeakPolarHBondContact O-CG1 3.3Å; L234-I237 PolarHBondContact O-N 3.27Å; Y235-I237 VanDerWaalsContact C-N 3.29Å; Y235-I237 PolarHBondContact O-N 2.99Å; I237-Y292 HydrophobicContact CD1-CD2 3.64Å; I237-Y292 HydrophobicContact CD1-CE2 3.73Å; I237-Y292 HydrophobicContact CD1-CG 4.24Å; I237-Y292 HydrophobicContact CG1-CD2 3.88Å; I237-Y292 HydrophobicContact CG1-CE2 4.27Å; I237-F347 HydrophobicContact CD1-CE2 3.76Å; I237-F347 HydrophobicContact CD1-CZ 4.31Å; I237-P426 HydrophobicContact CG2-CB 3.89Å; I237-G427 VanDerWaalsContact CD1-CA 3.44Å |
| 238 | G | 84.9 | Confident | 82.3 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.5 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L234 Y235 K240 N241 L291 | L234-G238 PolarHBondContact O-N 3.49Å; Y235-G238 PolarHBondContact O-N 2.83Å; G238-K240 PolarHBondContact O-N 3.3Å; G238-K240 VanDerWaalsContact O-N 3.13Å; G238-N241 WeakPolarHBondContact O-CB 3.2Å; G238-N241 PolarHBondContact O-N 3.02Å; G238-N241 PolarHBondContact O-ND2 3.42Å; G238-L291 WeakPolarHBondContact CA-O 3.27Å |
| 239 | A | 75.8 | Confident | 82.4 | Confident | 34 Ų | 34 | 73.7 Ų | 73.7 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -60 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y235 N241 K242 | Y235-A239 HydrophobicContact CE1-CB 4.35Å; Y235-A239 WeakPolarHBondContact O-CB 3.39Å; Y235-A239 PolarHBondContact O-N 3.16Å; A239-N241 PolarHBondContact O-N 2.54Å; A239-N241 VanDerWaalsContact O-N 3.14Å; A239-K242 WeakPolarHBondContact O-CG 3.18Å; A239-K242 PolarHBondContact O-N 3.4Å; A239-K242 VanDerWaalsContact O-N 3.16Å |
| 240 | K | 61.1 | Low | 82.3 | Confident | 163 Ų | 163 | 78.8 Ų | 78.8 | 71% | 0.709 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -67.1 | -8.8 | 175.3 | -66.7 | -176.5 | -179.2 | -180 | 0 | 113.6 | G238 | G238-K240 PolarHBondContact O-N 3.3Å; G238-K240 VanDerWaalsContact O-N 3.13Å |
| 241 | N | 56.8 | Low | 82.2 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 62% | 0.62 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -95.5 | 11.6 | 173.7 | -61.5 | -53.6 | 0 | 0 | 0 | 113.8 | G238 A239 K243 | G238-N241 WeakPolarHBondContact O-CB 3.2Å; G238-N241 PolarHBondContact O-N 3.02Å; G238-N241 PolarHBondContact O-ND2 3.42Å; A239-N241 PolarHBondContact O-N 2.54Å; A239-N241 VanDerWaalsContact O-N 3.14Å; N241-K243 PolarHBondContact O-N 3.07Å; N241-K243 VanDerWaalsContact O-N 3.13Å |
| 242 | K | 56.1 | Low | 82.2 | Confident | 110 Ų | 110 | 81.1 Ų | 81.1 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 120.9 | 178 | -83.6 | -177.3 | 179.7 | -122.4 | 0 | 110.4 | E205 A239 T244 | E205-K242 IonicContact OE1-NZ 2.72Å; E205-K242 PolarHBondContact OE1-NZ 2.73Å; E205-K242 IonicContact OE2-NZ 3.36Å; E205-K242 PolarHBondContact OE2-NZ 3.2Å; A239-K242 WeakPolarHBondContact O-CG 3.18Å; A239-K242 PolarHBondContact O-N 3.4Å; A239-K242 VanDerWaalsContact O-N 3.16Å; K242-T244 PolarHBondContact O-N 3.48Å |
| 243 | K | 60.2 | Low | 82.1 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 61% | 0.613 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 134.2 | -178.1 | -49.8 | 175.7 | -178.7 | 166.5 | 0 | 108.4 | N241 Y246 | N241-K243 PolarHBondContact O-N 3.07Å; N241-K243 VanDerWaalsContact O-N 3.13Å; K243-Y246 HydrophobicContact CB-CD2 4.2Å; K243-Y246 HydrophobicContact CB-CE2 3.64Å; K243-Y246 HydrophobicContact CD-CE2 4.08Å; K243-Y246 HydrophobicContact CG-CE2 4.09Å; K243-Y246 WeakPolarHBondContact O-CD2 3Å |
| 244 | T | 64.9 | Low | 81.8 | Confident | 145 Ų | 145 | 83.1 Ų | 83.1 | 89% | 0.89 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 135.3 | 169.3 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | K242 | K242-T244 PolarHBondContact O-N 3.48Š|
| 245 | G | 77.9 | Confident | 81.6 | Confident | 61 Ų | 61 | 86.5 Ų | 86.5 | 63% | 0.629 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.1 | 2.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P202 | P202-G245 WeakPolarHBondContact CB-O 3.43Š|
| 246 | Y | 88.1 | Confident | 81.3 | Confident | 75 Ų | 75 | 82 Ų | 82 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 157.5 | 167.6 | -70.3 | -75.1 | 0 | 0 | 0 | 111.8 | V203 E205 K243 | V203-Y246 HydrophobicContact CB-CD1 4.39Å; V203-Y246 CarbonylContact O-C 3.49Å; V203-Y246 WeakPolarHBondContact O-CA 3.38Å; V203-Y246 VanDerWaalsContact O-CD1 3.29Å; V203-Y246 WeakPolarHBondContact O-CD1 3.41Å; E205-Y246 HydrophobicContact CB-CD1 4.28Å; E205-Y246 HydrophobicContact CB-CG 4.31Å; K243-Y246 HydrophobicContact CB-CD2 4.2Å; K243-Y246 HydrophobicContact CB-CE2 3.64Å; K243-Y246 HydrophobicContact CD-CE2 4.08Å; K243-Y246 HydrophobicContact CG-CE2 4.09Å; K243-Y246 WeakPolarHBondContact O-CD2 3Å |
| 247 | S | 91.4 | Very high | 81 | Confident | 10 Ų | 10 | 82.9 Ų | 82.9 | 7% | 0.07 | 47% | 0.469 | C | S | . | . | trans | -62.6 | 144.7 | 169.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | D195 Q198 V203 K249 | D195-S247 PolarHBondContact OD2-OG 3.46Å; Q198-S247 PolarHBondContact NE2-OG 3.4Å; V203-S247 PolarHBondContact O-N 2.89Å; S247-K249 VanDerWaalsContact C-N 3.28Å; S247-K249 PolarHBondContact OG-N 3.47Å | ||
| 248 | H | 89.8 | Confident | 80.5 | Confident | 186 Ų | 186 | 88 Ų | 88 | 86% | 0.861 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -85.4 | -1.7 | 173.8 | -65.2 | -63.2 | 0 | 0 | 0 | 113.1 | ||
| 249 | K | 91.8 | Very high | 79.9 | Confident | 105 Ų | 105 | 91.4 Ų | 91.4 | 46% | 0.457 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -81.8 | 157.6 | 178 | -70.6 | -173.7 | 168.8 | -173.3 | 0 | 111.4 | T197 F204 S247 | T197-K249 VanDerWaalsContact CG2-NZ 3.32Å; T197-K249 WeakPolarHBondContact OG1-CE 3.32Å; T197-K249 PolarHBondContact OG1-NZ 3.45Å; F204-K249 HydrophobicContact CD1-CB 4.39Å; F204-K249 HydrophobicContact CE1-CB 3.61Å; F204-K249 HydrophobicContact CZ-CB 4.4Å; S247-K249 VanDerWaalsContact C-N 3.28Å; S247-K249 PolarHBondContact OG-N 3.47Å |
| 250 | E | 91.3 | Very high | 79.5 | Confident | 179 Ų | 179 | 95.1 Ų | 95.1 | 84% | 0.836 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 150.7 | 174.3 | -65.1 | -175.8 | 170.7 | 0 | 0 | 111.5 | F204 | F204-E250 WeakPolarHBondContact CD1-O 3.4Å; F204-E250 WeakPolarHBondContact CE1-O 3.42Å |
| 251 | W | 92.3 | Very high | 79.7 | Confident | 44 Ų | 44 | 87.8 Ų | 87.8 | 17% | 0.167 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 124.7 | 177.4 | 177.2 | -103.5 | 0 | 0 | 0 | 110.6 | V193 F204 N206 P207 Y208 I253 | V193-W251 HydrophobicContact CB-CH2 4.04Å; V193-W251 HydrophobicContact CB-CZ3 3.87Å; V193-W251 HydrophobicContact CG2-CE3 4.48Å; V193-W251 HydrophobicContact CG2-CH2 3.23Å; V193-W251 HydrophobicContact CG2-CZ2 3.82Å; V193-W251 HydrophobicContact CG2-CZ3 3.6Å; F204-W251 HydrophobicContact CB-CE3 3.71Å; F204-W251 HydrophobicContact CB-CZ3 3.95Å; N206-W251 HydrophobicContact CB-CH2 4.14Å; N206-W251 HydrophobicContact CB-CZ3 4.04Å; P207-W251 HydrophobicContact CG-CB 4.3Å; P207-W251 HydrophobicContact CG-CD2 3.94Å; P207-W251 HydrophobicContact CG-CG 3.77Å; Y208-W251 AromaticContact CE2-NE1 3.96Å; W251-I253 VanDerWaalsContact C-N 3.33Å; W251-I253 HydrophobicContact CZ2-CD1 3.92Å; W251-I253 HydrophobicContact CZ2-CG1 4.35Å; W251-I253 PolarHBondContact NE1-O 2.89Å; W251-I253 PolarHBondContact O-N 3.45Å |
| 252 | P | 93.5 | Very high | 80.1 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 20% | 0.195 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -81.3 | -7.6 | -166.8 | 30.1 | -35.4 | 0 | 0 | 0 | 114.6 | L168 Y181 A182 V193 F204 | L168-P252 HydrophobicContact CD1-CB 3.92Å; L168-P252 HydrophobicContact CD1-CG 4.06Å; Y181-P252 HydrophobicContact CE2-CB 3.8Å; A182-P252 HydrophobicContact CB-CG 4.34Å; V193-P252 HydrophobicContact CG1-CG 3.65Å; F204-P252 HydrophobicContact CD1-CG 4.48Å; F204-P252 HydrophobicContact CD2-CG 4.34Å; F204-P252 HydrophobicContact CE1-CG 4.3Å; F204-P252 HydrophobicContact CE2-CG 4.14Å; F204-P252 HydrophobicContact CG-CG 4.49Å; F204-P252 HydrophobicContact CZ-CG 4.14Å |
| 253 | I | 91.4 | Very high | 80.5 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -103.9 | 82.3 | 179.6 | -44.7 | 174.3 | 0 | 0 | 0 | 108.5 | V184 V193 W251 | V184-I253 HydrophobicContact CG1-CD1 4.03Å; V184-I253 HydrophobicContact CG2-CD1 3.84Å; V184-I253 HydrophobicContact CG2-CG1 4.36Å; V193-I253 HydrophobicContact CG2-CD1 4.21Å; W251-I253 VanDerWaalsContact C-N 3.33Å; W251-I253 HydrophobicContact CZ2-CD1 3.92Å; W251-I253 HydrophobicContact CZ2-CG1 4.35Å; W251-I253 PolarHBondContact NE1-O 2.89Å; W251-I253 PolarHBondContact O-N 3.45Å | ||
| 254 | G | 86.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | trans | -116.1 | 24.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 255 | G | 87.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 73% | 0.732 | 44% | 0.443 | S | S | * | . | trans | -70.1 | 152.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | G | 86.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 78.4 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E893 | G256-E893 CarbonylContact C-O 3.51Å; G256-E893 WeakPolarHBondContact CA-O 3.38Å |
| 257 | T | 83.2 | Confident | 82.6 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -140 | 152.6 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | G892 E893 | T257-G892 CarbonylContact O-C 3.57Å; T257-G892 VanDerWaalsContact O-C 3.28Å; T257-G892 WeakPolarHBondContact O-CA 3.31Å; T257-E893 PolarHBondContact N-O 3.28Å; T257-E893 PolarHBondContact O-N 2.8Å |
| 258 | W | 78.8 | Confident | 82.8 | Confident | 123 Ų | 123 | 72 Ų | 72 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | trans | -143.4 | 155.2 | 173.6 | 65.3 | -69.2 | 0 | 0 | 0 | 109.4 | L260 A285 T287 | W258-L260 HydrophobicContact CZ3-CD1 4.33Å; W258-A285 HydrophobicContact CH2-CB 3.59Å; W258-A285 HydrophobicContact CZ3-CB 3.63Å; W258-T287 HydrophobicContact CH2-CG2 4.26Å; W258-T287 HydrophobicContact CZ2-CG2 3.86Å | ||
| 259 | T | 72.4 | Confident | 83.1 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | trans | -113.8 | 146.2 | -179 | 42.1 | 0 | 0 | 0 | 0 | 110.5 | E889 | T259-E889 PolarHBondContact OG1-O 3.45Š| ||
| 260 | L | 68.7 | Low | 83.3 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 59% | 0.586 | 34% | 0.343 | S | S | * | . | trans | -69.3 | 132.4 | 167.3 | -152 | 71.9 | 0 | 0 | 0 | 107.8 | W258 T264 A285 | W258-L260 HydrophobicContact CZ3-CD1 4.33Å; L260-T264 HydrophobicContact CD1-CG2 4.16Å; L260-T264 HydrophobicContact CD2-CG2 4.47Å; L260-T264 HydrophobicContact CG-CG2 3.79Å; L260-A285 HydrophobicContact CD1-CB 4.38Å | ||
| 261 | G | 64.8 | Low | 83.6 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | trans | -61.6 | 158.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H263 M890 | G261-H263 PolarHBondContact O-N 2.8Å; G261-M890 VanDerWaalsContact CA-CG 3.42Å; G261-M890 VanDerWaalsContact N-CG 3.26Å | ||
| 262 | S | 64 | Low | 83.8 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 53% | 0.531 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -60.5 | -25.1 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 113 | E889 | S262-E889 WeakPolarHBondContact CB-OE2 3.13Å; S262-E889 PolarHBondContact OG-OE2 3.11Å |
| 263 | H | 64.6 | Low | 83.9 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -128.9 | 81.8 | 179.8 | -64.4 | -81.4 | 0 | 0 | 0 | 111.4 | G261 N886 | G261-H263 PolarHBondContact O-N 2.8Å; H263-N886 PolarHBondContact O-ND2 3.48Å |
| 264 | T | 70.3 | Confident | 84 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | trans | -109 | 119.2 | 171.2 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | L260 M890 | L260-T264 HydrophobicContact CD1-CG2 4.16Å; L260-T264 HydrophobicContact CD2-CG2 4.47Å; L260-T264 HydrophobicContact CG-CG2 3.79Å; T264-M890 HydrophobicContact CG2-SD 4.21Å | ||
| 265 | Y | 82.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 18% | 0.18 | 26% | 0.256 | C | S | . | . | trans | -103.4 | 157.3 | 166.6 | 43.2 | -96.8 | 0 | 0 | 0 | 109.9 | A224 E267 E862 Q864 | A224-Y265 HydrophobicContact CB-CD2 4.4Å; A224-Y265 HydrophobicContact CB-CE2 3.76Å; Y265-E267 HydrophobicContact CD2-CG 3.64Å; Y265-E267 HydrophobicContact CE2-CG 3.56Å; Y265-E267 PolarHBondContact O-N 3.33Å; Y265-E862 HydrophobicContact CE1-CG 4.09Å; Y265-E862 VanDerWaalsContact OH-CB 3.25Å; Y265-E862 WeakPolarHBondContact OH-CB 3.46Å; Y265-Q864 PolarHBondContact OH-OE1 2.88Å | ||
| 266 | P | 90.8 | Very high | 84.7 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | trans | -61.4 | 123.4 | 175.5 | -21.6 | 32.3 | 0 | 0 | 0 | 111.6 | D225 C226 I231 S284 | D225-P266 PolarHBondContact N-O 2.83Å; C226-P266 HydrophobicContact CB-CB 4.02Å; C226-P266 WeakPolarHBondContact CB-O 3.41Å; C226-P266 PolarHBondContact N-O 3.25Å; C226-P266 VanDerWaalsContact O-CG 3.32Å; C226-P266 WeakPolarHBondContact O-CG 3.39Å; I231-P266 HydrophobicContact CD1-CB 3.67Å; I231-P266 HydrophobicContact CG1-CB 4.33Å; P266-S284 WeakPolarHBondContact CA-OG 3.36Å | ||
| 267 | E | 92.6 | Very high | 85.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -119.4 | 129.3 | 176.7 | -59.4 | -175.3 | 94.6 | 0 | 0 | 110.2 | Y222 F223 Y265 A283 S284 Q864 R876 | Y222-E267 HydrophobicContact CE2-CB 4.26Å; Y222-E267 PolarHBondContact OH-OE1 2.89Å; F223-E267 WeakPolarHBondContact O-CA 2.93Å; Y265-E267 HydrophobicContact CD2-CG 3.64Å; Y265-E267 HydrophobicContact CE2-CG 3.56Å; Y265-E267 PolarHBondContact O-N 3.33Å; E267-A283 HydrophobicContact CB-CB 4.14Å; E267-A283 PolarHBondContact O-N 3.09Å; E267-S284 PolarHBondContact N-OG 2.7Å; E267-Q864 PolarHBondContact OE1-NE2 2.87Å; E267-Q864 PolarHBondContact OE1-OE1 2.92Å; E267-Q864 VanDerWaalsContact OE1-OE1 3.05Å; E267-R876 IonicContact OE1-NH1 3.53Å; E267-R876 IonicContact OE2-NH1 2.93Å; E267-R876 PolarHBondContact OE2-NH1 2.78Å | ||
| 268 | I | 95.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.7 | 179.1 | -65 | -68.8 | 0 | 0 | 0 | 110.1 | F223 C226 I230 I231 L234 I270 F280 W281 L291 W326 | F223-I268 PolarHBondContact N-O 2.87Å; F223-I268 PolarHBondContact O-N 2.71Å; C226-I268 HydrophobicContact CB-CG1 4.42Å; I230-I268 HydrophobicContact CG2-CD1 4.45Å; I230-I268 HydrophobicContact CG2-CG1 4.13Å; I231-I268 HydrophobicContact CD1-CD1 4.48Å; I231-I268 HydrophobicContact CG1-CD1 3.76Å; L234-I268 HydrophobicContact CD1-CD1 4.44Å; I268-I270 HydrophobicContact CG2-CG1 3.94Å; I268-F280 HydrophobicContact CG2-CD1 4.09Å; I268-W281 WeakPolarHBondContact CA-O 3.09Å; I268-L291 HydrophobicContact CD1-CD1 3.5Å; I268-W326 HydrophobicContact CB-CH2 4.27Å; I268-W326 HydrophobicContact CB-CZ3 3.92Å; I268-W326 HydrophobicContact CG1-CH2 4.16Å; I268-W326 HydrophobicContact CG1-CZ3 4.31Å; I268-W326 HydrophobicContact CG2-CH2 4.12Å; I268-W326 HydrophobicContact CG2-CZ3 3.75Å |
| 269 | I | 95.8 | Very high | 86.7 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.3 | 164.3 | -58.8 | 170.5 | 0 | 0 | 0 | 108.1 | A221 Y222 T271 F280 W281 A283 L288 L866 I874 | A221-I269 WeakPolarHBondContact O-CA 3.33Å; Y222-I269 HydrophobicContact CD2-CG1 3.79Å; Y222-I269 HydrophobicContact CE2-CG1 4.22Å; Y222-I269 HydrophobicContact CG-CG1 4.49Å; I269-T271 HydrophobicContact CG2-CG2 4.29Å; I269-F280 CarbonylContact O-C 3.58Å; I269-F280 WeakPolarHBondContact O-CA 3.35Å; I269-W281 HydrophobicContact CB-CB 4.18Å; I269-W281 PolarHBondContact N-O 3.4Å; I269-W281 PolarHBondContact O-N 3.29Å; I269-A283 HydrophobicContact CD1-CB 3.54Å; I269-A283 HydrophobicContact CG1-CB 3.72Å; I269-L288 HydrophobicContact CD1-CD1 4.03Å; I269-L866 HydrophobicContact CD1-CD2 3.47Å; I269-L866 VanDerWaalsContact CD1-CD2 3.47Å; I269-L866 HydrophobicContact CG1-CD2 3.63Å; I269-L866 HydrophobicContact CG2-CD2 4.29Å; I269-I874 HydrophobicContact CD1-CD1 4.39Å; I269-I874 HydrophobicContact CD1-CG2 4.5Å; I269-I874 HydrophobicContact CG2-CD1 4.23Å |
| 270 | I | 97.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.6 | 170.8 | -56.4 | 179.8 | 0 | 0 | 0 | 108.3 | T220 A221 F223 I268 I278 K279 F280 V324 W326 F333 | T220-I270 CarbonylContact C-O 3.56Å; T220-I270 WeakPolarHBondContact CA-O 3.35Å; A221-I270 HydrophobicContact CB-CB 4.4Å; A221-I270 PolarHBondContact N-O 3.2Å; A221-I270 PolarHBondContact O-N 3.19Å; F223-I270 HydrophobicContact CD2-CD1 4.41Å; F223-I270 HydrophobicContact CE2-CD1 3.89Å; F223-I270 HydrophobicContact CE2-CG1 4.35Å; I268-I270 HydrophobicContact CG2-CG1 3.94Å; I270-I278 HydrophobicContact CG2-CG2 3.6Å; I270-K279 WeakPolarHBondContact CA-O 3.33Å; I270-F280 HydrophobicContact CD1-CD1 3.91Å; I270-F280 HydrophobicContact CD1-CE1 3.4Å; I270-F280 VanDerWaalsContact CD1-CE1 3.4Å; I270-F280 HydrophobicContact CD1-CZ 3.88Å; I270-F280 HydrophobicContact CG1-CD1 3.83Å; I270-F280 HydrophobicContact CG1-CE1 3.86Å; I270-F280 HydrophobicContact CG1-CG 4.37Å; I270-F280 HydrophobicContact CG1-CZ 4.41Å; I270-V324 HydrophobicContact CG2-CG2 4.27Å; I270-W326 HydrophobicContact CD1-CB 4.03Å; I270-W326 HydrophobicContact CD1-CD2 3.84Å; I270-W326 HydrophobicContact CD1-CE3 3.67Å; I270-W326 HydrophobicContact CD1-CG 4.01Å; I270-W326 HydrophobicContact CD1-CZ3 4.4Å; I270-F333 HydrophobicContact CD1-CE2 4.08Å; I270-F333 HydrophobicContact CG2-CZ 4.27Å |
| 271 | T | 96.7 | Very high | 89 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.1 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | I212 V217 T220 I269 H273 I278 K279 W281 I874 | I212-T271 HydrophobicContact CD1-CG2 4.42Å; V217-T271 HydrophobicContact CG1-CG2 4.43Å; T220-T271 HydrophobicContact CG2-CG2 4.32Å; I269-T271 HydrophobicContact CG2-CG2 4.29Å; T271-H273 PolarHBondContact O-CD2 2.88Å; T271-H273 PolarHBondContact OG1-NE2 2.83Å; T271-I278 CarbonylContact O-C 3.53Å; T271-I278 VanDerWaalsContact O-CA 3.27Å; T271-I278 WeakPolarHBondContact O-CA 3.47Å; T271-K279 PolarHBondContact N-O 2.98Å; T271-K279 PolarHBondContact O-N 3.14Å; T271-W281 PolarHBondContact OG1-NE1 3.38Å; T271-I874 HydrophobicContact CG2-CD1 4.46Å |
| 272 | G | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V217 T218 C219 | V217-G272 WeakPolarHBondContact CA-O 3.37Å; T218-G272 PolarHBondContact N-O 3.44Å; T218-G272 PolarHBondContact OG1-O 3.24Å; T218-G272 VanDerWaalsContact OG1-O 3.1Å; C219-G272 PolarHBondContact N-O 3.24Å; C219-G272 PolarHBondContact O-N 3.28Å |
| 273 | H | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.8 | -173.6 | -60.2 | -99.3 | 0 | 0 | 0 | 112.8 | I212 S215 P216 T271 D275 G276 S277 V321 | I212-H273 PolarHBondContact O-CE1 3.05Å; S215-H273 PolarHBondContact O-ND1 2.99Å; P216-H273 CarbonylContact O-C 3.28Å; P216-H273 VanDerWaalsContact O-CA 3.3Å; P216-H273 WeakPolarHBondContact O-CA 3.31Å; T271-H273 PolarHBondContact O-CD2 2.88Å; T271-H273 PolarHBondContact OG1-NE2 2.83Å; H273-D275 WeakPolarHBondContact CB-OD1 3.31Å; H273-D275 PolarHBondContact O-N 2.9Å; H273-G276 PolarHBondContact O-N 3.49Å; H273-G276 VanDerWaalsContact O-N 3.14Å; H273-S277 WeakPolarHBondContact CB-O 3.2Å; H273-S277 PolarHBondContact CD2-O 3.43Å; H273-S277 VanDerWaalsContact CD2-O 3.32Å; H273-S277 PolarHBondContact N-O 2.92Å; H273-V321 PolarHBondContact O-N 2.68Å; H273-V321 VanDerWaalsContact O-N 3.08Å |
| 274 | A | 94.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 12 Ų | 12 | 22% | 0.223 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S215 P216 T218 G276 D317 A320 | S215-A274 PolarHBondContact OG-N 3.48Å; P216-A274 HydrophobicContact CB-CB 4.2Å; P216-A274 HydrophobicContact CG-CB 4.39Å; P216-A274 PolarHBondContact O-N 3.29Å; T218-A274 HydrophobicContact CG2-CB 3.95Å; A274-G276 PolarHBondContact O-N 3.23Å; A274-D317 WeakPolarHBondContact O-CB 3.49Å; A274-A320 VanDerWaalsContact O-CA 3.23Å; A274-A320 WeakPolarHBondContact O-CA 3.36Å; A274-A320 VanDerWaalsContact O-CB 3.27Å; A274-A320 WeakPolarHBondContact O-CB 3.32Å |
| 275 | D | 93.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 10 Ų | 10 | 21% | 0.214 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 8 | 177.5 | 79.9 | -36.3 | 0 | 0 | 0 | 113.6 | S215 H273 S277 K295 | S215-D275 WeakPolarHBondContact CB-OD1 3.28Å; S215-D275 WeakPolarHBondContact OG-CB 3.15Å; S215-D275 PolarHBondContact OG-N 3.35Å; S215-D275 PolarHBondContact OG-OD1 2.94Å; H273-D275 WeakPolarHBondContact CB-OD1 3.31Å; H273-D275 PolarHBondContact O-N 2.9Å; D275-S277 PolarHBondContact O-N 3.16Å; D275-S277 WeakPolarHBondContact OD1-CB 3.42Å; D275-S277 PolarHBondContact OD1-N 2.66Å; D275-S277 PolarHBondContact OD1-OG 3.08Å; D275-K295 IonicContact OD2-NZ 3.6Å |
| 276 | G | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 73.5 | 11.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H273 A274 T296 F319 | H273-G276 PolarHBondContact O-N 3.49Å; H273-G276 VanDerWaalsContact O-N 3.14Å; A274-G276 PolarHBondContact O-N 3.23Å; G276-T296 WeakPolarHBondContact CA-OG1 3.46Å; G276-T296 WeakPolarHBondContact O-CG2 3.4Å; G276-T296 PolarHBondContact O-N 3.39Å; G276-T296 PolarHBondContact O-OG1 2.81Å; G276-T296 VanDerWaalsContact O-OG1 3.05Å; G276-F319 WeakPolarHBondContact CA-O 3.37Å |
| 277 | S | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.3 | 168.8 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | H273 D275 L294 | H273-S277 WeakPolarHBondContact CB-O 3.2Å; H273-S277 PolarHBondContact CD2-O 3.43Å; H273-S277 VanDerWaalsContact CD2-O 3.32Å; H273-S277 PolarHBondContact N-O 2.92Å; D275-S277 PolarHBondContact O-N 3.16Å; D275-S277 WeakPolarHBondContact OD1-CB 3.42Å; D275-S277 PolarHBondContact OD1-N 2.66Å; D275-S277 PolarHBondContact OD1-OG 3.08Å; S277-L294 CarbonylContact C-O 3.53Å; S277-L294 WeakPolarHBondContact CA-O 3.36Å |
| 278 | I | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132 | 176.2 | -60.6 | 166.6 | 0 | 0 | 0 | 107.5 | I270 T271 F280 K293 L294 T296 V321 F333 V335 | I270-I278 HydrophobicContact CG2-CG2 3.6Å; T271-I278 CarbonylContact O-C 3.53Å; T271-I278 VanDerWaalsContact O-CA 3.27Å; T271-I278 WeakPolarHBondContact O-CA 3.47Å; I278-F280 HydrophobicContact CG2-CD2 4.46Å; I278-F280 HydrophobicContact CG2-CE2 4.03Å; I278-K293 CarbonylContact O-C 3.47Å; I278-K293 WeakPolarHBondContact O-CA 3.25Å; I278-L294 HydrophobicContact CB-CB 4.27Å; I278-L294 HydrophobicContact CD1-CD2 4.36Å; I278-L294 PolarHBondContact N-O 2.84Å; I278-L294 PolarHBondContact O-N 2.84Å; I278-T296 HydrophobicContact CD1-CG2 4.14Å; I278-V321 HydrophobicContact CD1-CG2 4.21Å; I278-V321 HydrophobicContact CG1-CG2 3.8Å; I278-F333 HydrophobicContact CD1-CE1 3.78Å; I278-F333 HydrophobicContact CD1-CZ 4.06Å; I278-F333 HydrophobicContact CG2-CE1 4.12Å; I278-F333 HydrophobicContact CG2-CZ 3.91Å; I278-V335 HydrophobicContact CD1-CB 4.14Å; I278-V335 HydrophobicContact CD1-CG1 3.66Å; I278-V335 HydrophobicContact CD1-CG2 3.32Å |
| 279 | K | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.3 | -179.3 | -60.2 | 179.5 | -178.8 | -165.8 | 0 | 110.1 | D211 E214 I270 T271 W281 M290 Y292 K293 | D211-K279 PolarHBondContact O-NZ 2.66Å; D211-K279 IonicContact OD2-NZ 2.94Å; D211-K279 PolarHBondContact OD2-NZ 3.19Å; E214-K279 IonicContact OE2-NZ 2.67Å; E214-K279 PolarHBondContact OE2-NZ 2.91Å; I270-K279 WeakPolarHBondContact CA-O 3.33Å; T271-K279 PolarHBondContact N-O 2.98Å; T271-K279 PolarHBondContact O-N 3.14Å; K279-W281 HydrophobicContact CB-CZ2 3.66Å; K279-W281 HydrophobicContact CD-CH2 3.79Å; K279-W281 HydrophobicContact CD-CZ2 3.41Å; K279-W281 VanDerWaalsContact CD-CZ2 3.41Å; K279-W281 HydrophobicContact CG-CZ2 4.17Å; K279-W281 PolarHBondContact O-NE1 3.46Å; K279-M290 HydrophobicContact CD-SD 3.94Å; K279-M290 HydrophobicContact CG-SD 4.16Å; K279-Y292 WeakPolarHBondContact CA-O 3.07Å; K279-K293 HydrophobicContact CG-CG 4.26Å |
| 280 | F | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.7 | 172.8 | -70.5 | -110.6 | 0 | 0 | 0 | 107.8 | L234 I268 I269 I270 I278 L291 Y292 W326 F333 Y428 | L234-F280 HydrophobicContact CD1-CB 4.33Å; L234-F280 HydrophobicContact CD1-CD1 3.89Å; L234-F280 HydrophobicContact CD1-CG 4.34Å; I268-F280 HydrophobicContact CG2-CD1 4.09Å; I269-F280 CarbonylContact O-C 3.58Å; I269-F280 WeakPolarHBondContact O-CA 3.35Å; I270-F280 HydrophobicContact CD1-CD1 3.91Å; I270-F280 HydrophobicContact CD1-CE1 3.4Å; I270-F280 VanDerWaalsContact CD1-CE1 3.4Å; I270-F280 HydrophobicContact CD1-CZ 3.88Å; I270-F280 HydrophobicContact CG1-CD1 3.83Å; I270-F280 HydrophobicContact CG1-CE1 3.86Å; I270-F280 HydrophobicContact CG1-CG 4.37Å; I270-F280 HydrophobicContact CG1-CZ 4.41Å; I278-F280 HydrophobicContact CG2-CD2 4.46Å; I278-F280 HydrophobicContact CG2-CE2 4.03Å; F280-L291 PolarHBondContact O-N 3.05Å; F280-Y292 AromaticContact CD2-CD1 3.74Å; F280-Y292 HydrophobicContact CD2-CD1 3.74Å; F280-Y292 AromaticContact CE2-CD1 3.99Å; F280-Y292 HydrophobicContact CE2-CD1 3.99Å; F280-Y292 HydrophobicContact CE2-CE1 4.48Å; F280-Y292 HydrophobicContact CG-CD1 4.48Å; F280-Y292 PolarHBondContact N-O 3.06Å; F280-Y292 PolarHBondContact O-N 2.91Å; F280-W326 HydrophobicContact CE1-CD2 4.43Å; F280-W326 HydrophobicContact CE1-CZ2 4.4Å; F280-F333 HydrophobicContact CE2-CE1 4.37Å; F280-F333 HydrophobicContact CZ-CD1 4.31Å; F280-F333 HydrophobicContact CZ-CD2 4.48Å; F280-F333 HydrophobicContact CZ-CE1 4.18Å; F280-F333 HydrophobicContact CZ-CE2 4.35Å; F280-F333 HydrophobicContact CZ-CG 4.46Å; F280-F333 HydrophobicContact CZ-CZ 4.21Å; F280-Y428 AromaticContact CE1-CE2 3.91Å; F280-Y428 HydrophobicContact CE1-CE2 3.91Å; F280-Y428 HydrophobicContact CE2-CD2 4.34Å; F280-Y428 HydrophobicContact CE2-CE2 4.2Å; F280-Y428 HydrophobicContact CZ-CD2 4.1Å; F280-Y428 AromaticContact CZ-CE2 3.61Å; F280-Y428 HydrophobicContact CZ-CE2 3.61Å |
| 281 | W | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.8 | -176.3 | -45.8 | 86.7 | 0 | 0 | 0 | 110.3 | P209 D211 I212 I268 I269 T271 K279 L288 Q289 M290 | P209-W281 HydrophobicContact CB-CE3 4.28Å; P209-W281 HydrophobicContact CB-CH2 4.38Å; P209-W281 HydrophobicContact CB-CZ3 3.5Å; P209-W281 HydrophobicContact CG-CE3 4.3Å; P209-W281 HydrophobicContact CG-CZ3 3.97Å; D211-W281 VanDerWaalsContact OD1-CH2 3.26Å; D211-W281 WeakPolarHBondContact OD1-CH2 3.13Å; D211-W281 WeakPolarHBondContact OD1-CZ3 2.81Å; I212-W281 HydrophobicContact CB-CH2 4.13Å; I212-W281 HydrophobicContact CB-CZ2 4.11Å; I212-W281 HydrophobicContact CG1-CZ2 4.12Å; I268-W281 WeakPolarHBondContact CA-O 3.09Å; I269-W281 HydrophobicContact CB-CB 4.18Å; I269-W281 PolarHBondContact N-O 3.4Å; I269-W281 PolarHBondContact O-N 3.29Å; T271-W281 PolarHBondContact OG1-NE1 3.38Å; K279-W281 HydrophobicContact CB-CZ2 3.66Å; K279-W281 HydrophobicContact CD-CH2 3.79Å; K279-W281 HydrophobicContact CD-CZ2 3.41Å; K279-W281 VanDerWaalsContact CD-CZ2 3.41Å; K279-W281 HydrophobicContact CG-CZ2 4.17Å; K279-W281 PolarHBondContact O-NE1 3.46Å; W281-L288 HydrophobicContact CB-CD1 3.73Å; W281-L288 HydrophobicContact CB-CG 4.28Å; W281-L288 HydrophobicContact CE3-CD2 4.3Å; W281-L288 HydrophobicContact CE3-CG 4.17Å; W281-L288 HydrophobicContact CG-CD1 4.38Å; W281-Q289 CarbonylContact C-O 3.51Å; W281-Q289 WeakPolarHBondContact CA-O 3.5Å; W281-M290 HydrophobicContact CE3-CB 3.69Å; W281-M290 HydrophobicContact CE3-CG 4.35Å; W281-M290 HydrophobicContact CH2-CB 4.32Å; W281-M290 HydrophobicContact CZ3-CB 3.53Å; W281-M290 HydrophobicContact CZ3-CG 4.18Å |
| 282 | D | 92.8 | Very high | 91 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 14% | 0.139 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.4 | 164 | -170 | -8.7 | 0 | 0 | 0 | 108.8 | I231 S284 L288 Q289 L291 | I231-D282 WeakPolarHBondContact CD1-OD1 3.16Å; D282-S284 VanDerWaalsContact OD1-CB 3.23Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 3.41Å; D282-S284 PolarHBondContact OD1-OG 3.11Å; D282-L288 WeakPolarHBondContact O-CA 3.42Å; D282-Q289 HydrophobicContact CB-CB 4.33Å; D282-Q289 PolarHBondContact N-O 3.5Å; D282-Q289 PolarHBondContact O-N 3.05Å; D282-Q289 VanDerWaalsContact O-N 3.12Å; D282-L291 HydrophobicContact CB-CD1 3.91Å; D282-L291 HydrophobicContact CB-CD2 4.01Å; D282-L291 HydrophobicContact CB-CG 3.96Å |
| 283 | A | 90.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | trans | -120.7 | 12 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E267 I269 A285 L288 R876 | E267-A283 HydrophobicContact CB-CB 4.14Å; E267-A283 PolarHBondContact O-N 3.09Å; I269-A283 HydrophobicContact CD1-CB 3.54Å; I269-A283 HydrophobicContact CG1-CB 3.72Å; A283-A285 PolarHBondContact O-N 3.12Å; A283-A285 VanDerWaalsContact O-N 3.11Å; A283-L288 HydrophobicContact CB-CD1 4.31Å; A283-R876 PolarHBondContact O-NH1 3.1Å | ||
| 284 | S | 87.6 | Confident | 90.8 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -67.6 | -12.6 | -172.9 | -41.9 | 0 | 0 | 0 | 0 | 113.4 | I231 P266 E267 D282 | I231-S284 WeakPolarHBondContact CD1-OG 3.38Å; P266-S284 WeakPolarHBondContact CA-OG 3.36Å; E267-S284 PolarHBondContact N-OG 2.7Å; D282-S284 VanDerWaalsContact OD1-CB 3.23Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 3.41Å; D282-S284 PolarHBondContact OD1-OG 3.11Å |
| 285 | A | 80.1 | Confident | 90.8 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -134.1 | -175.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W258 L260 A283 T287 | W258-A285 HydrophobicContact CH2-CB 3.59Å; W258-A285 HydrophobicContact CZ3-CB 3.63Å; L260-A285 HydrophobicContact CD1-CB 4.38Å; A283-A285 PolarHBondContact O-N 3.12Å; A283-A285 VanDerWaalsContact O-N 3.11Å; A285-T287 PolarHBondContact O-N 3.14Å |
| 286 | F | 76.5 | Confident | 90.9 | Very high | 98 Ų | 98 | 26.8 Ų | 26.8 | 43% | 0.43 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -69.7 | -20.8 | 172.1 | -91.2 | -100.3 | 0 | 0 | 0 | 113.4 | L887 M890 L891 | F286-L887 HydrophobicContact CE2-CD2 3.8Å; F286-L887 WeakPolarHBondContact CE2-O 3.4Å; F286-L887 HydrophobicContact CZ-CB 4.48Å; F286-L887 HydrophobicContact CZ-CD2 3.99Å; F286-L887 WeakPolarHBondContact CZ-O 3.43Å; F286-M890 HydrophobicContact CD2-CB 3.54Å; F286-M890 HydrophobicContact CD2-CG 4.39Å; F286-M890 HydrophobicContact CD2-SD 4.07Å; F286-M890 HydrophobicContact CE2-CB 3.27Å; F286-M890 HydrophobicContact CE2-CE 4.38Å; F286-M890 HydrophobicContact CE2-CG 4.31Å; F286-M890 HydrophobicContact CE2-SD 4.2Å; F286-M890 HydrophobicContact CZ-CB 4.41Å; F286-L891 HydrophobicContact CE1-CD2 3.59Å; F286-L891 HydrophobicContact CZ-CD2 3.63Å; F286-L891 HydrophobicContact CZ-CG 4.19Å |
| 287 | T | 79.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -86.1 | 127.2 | 173.5 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | W258 A285 | W258-T287 HydrophobicContact CH2-CG2 4.26Å; W258-T287 HydrophobicContact CZ2-CG2 3.86Å; A285-T287 PolarHBondContact O-N 3.14Å |
| 288 | L | 87 | Confident | 90.6 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | trans | -82.9 | 131.8 | 163.5 | -168.7 | 68.3 | 0 | 0 | 0 | 107.9 | P209 I269 W281 D282 A283 I874 | P209-L288 WeakPolarHBondContact CD-O 3.43Å; P209-L288 HydrophobicContact CG-CB 4.17Å; P209-L288 HydrophobicContact CG-CG 4.3Å; P209-L288 WeakPolarHBondContact CG-O 3.31Å; I269-L288 HydrophobicContact CD1-CD1 4.03Å; W281-L288 HydrophobicContact CB-CD1 3.73Å; W281-L288 HydrophobicContact CB-CG 4.28Å; W281-L288 HydrophobicContact CE3-CD2 4.3Å; W281-L288 HydrophobicContact CE3-CG 4.17Å; W281-L288 HydrophobicContact CG-CD1 4.38Å; D282-L288 WeakPolarHBondContact O-CA 3.42Å; A283-L288 HydrophobicContact CB-CD1 4.31Å; L288-I874 HydrophobicContact CD2-CD1 4.23Å | ||
| 289 | Q | 87.8 | Confident | 90.4 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 33% | 0.327 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.2 | 176.3 | -66.9 | -170.3 | -3.8 | 0 | 0 | 111.7 | W281 D282 L291 | W281-Q289 CarbonylContact C-O 3.51Å; W281-Q289 WeakPolarHBondContact CA-O 3.5Å; D282-Q289 HydrophobicContact CB-CB 4.33Å; D282-Q289 PolarHBondContact N-O 3.5Å; D282-Q289 PolarHBondContact O-N 3.05Å; D282-Q289 VanDerWaalsContact O-N 3.12Å; Q289-L291 PolarHBondContact O-N 3.29Å |
| 290 | M | 90.2 | Very high | 90.3 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.4 | 174 | -174.4 | 179.9 | 35.7 | 0 | 0 | 110.1 | D211 K279 W281 K293 | D211-M290 WeakPolarHBondContact OD2-CE 3.41Å; D211-M290 VanDerWaalsContact OD2-SD 3.39Å; K279-M290 HydrophobicContact CD-SD 3.94Å; K279-M290 HydrophobicContact CG-SD 4.16Å; W281-M290 HydrophobicContact CE3-CB 3.69Å; W281-M290 HydrophobicContact CE3-CG 4.35Å; W281-M290 HydrophobicContact CH2-CB 4.32Å; W281-M290 HydrophobicContact CZ3-CB 3.53Å; W281-M290 HydrophobicContact CZ3-CG 4.18Å; M290-K293 HydrophobicContact SD-CB 4.3Å |
| 291 | L | 91.8 | Very high | 90 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -43.6 | 179.1 | -62.4 | 176.2 | 0 | 0 | 0 | 112.4 | I231 L234 Y235 G238 I268 F280 D282 Q289 | I231-L291 HydrophobicContact CB-CD1 4.39Å; I231-L291 HydrophobicContact CG1-CD1 4.08Å; I231-L291 HydrophobicContact CG2-CD1 4.18Å; I231-L291 HydrophobicContact CG2-CD2 4.16Å; L234-L291 HydrophobicContact CB-CB 3.97Å; L234-L291 HydrophobicContact CB-CD1 4.31Å; L234-L291 HydrophobicContact CD1-CD1 4.46Å; Y235-L291 HydrophobicContact CD2-CD2 4.11Å; G238-L291 WeakPolarHBondContact CA-O 3.27Å; I268-L291 HydrophobicContact CD1-CD1 3.5Å; F280-L291 PolarHBondContact O-N 3.05Å; D282-L291 HydrophobicContact CB-CD1 3.91Å; D282-L291 HydrophobicContact CB-CD2 4.01Å; D282-L291 HydrophobicContact CB-CG 3.96Å; Q289-L291 PolarHBondContact O-N 3.29Å |
| 292 | Y | 92.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 138.6 | -171.3 | 177.7 | -107.9 | 0 | 0 | 0 | 111.7 | L234 I237 K279 F280 L294 Y428 | L234-Y292 HydrophobicContact CD2-CG 4.44Å; I237-Y292 HydrophobicContact CD1-CD2 3.64Å; I237-Y292 HydrophobicContact CD1-CE2 3.73Å; I237-Y292 HydrophobicContact CD1-CG 4.24Å; I237-Y292 HydrophobicContact CG1-CD2 3.88Å; I237-Y292 HydrophobicContact CG1-CE2 4.27Å; K279-Y292 WeakPolarHBondContact CA-O 3.07Å; F280-Y292 AromaticContact CD2-CD1 3.74Å; F280-Y292 HydrophobicContact CD2-CD1 3.74Å; F280-Y292 AromaticContact CE2-CD1 3.99Å; F280-Y292 HydrophobicContact CE2-CD1 3.99Å; F280-Y292 HydrophobicContact CE2-CE1 4.48Å; F280-Y292 HydrophobicContact CG-CD1 4.48Å; F280-Y292 PolarHBondContact N-O 3.06Å; F280-Y292 PolarHBondContact O-N 2.91Å; Y292-L294 HydrophobicContact CE1-CB 3.89Å; Y292-Y428 HydrophobicContact CD1-CD2 4.1Å; Y292-Y428 AromaticContact CE1-CD2 3.63Å; Y292-Y428 HydrophobicContact CE1-CD2 3.63Å; Y292-Y428 HydrophobicContact CE1-CG 4.48Å; Y292-Y428 PolarHBondContact OH-N 3.33Å |
| 293 | K | 93.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 28% | 0.278 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.9 | 177.1 | -175.8 | 172.9 | -174.8 | 170 | 0 | 110.8 | E214 I278 K279 M290 | E214-K293 IonicContact OE2-NZ 3.96Å; E214-K293 PolarHBondContact OE2-NZ 3.04Å; I278-K293 CarbonylContact O-C 3.47Å; I278-K293 WeakPolarHBondContact O-CA 3.25Å; K279-K293 HydrophobicContact CG-CG 4.26Å; M290-K293 HydrophobicContact SD-CB 4.3Å |
| 294 | L | 94.2 | Very high | 86.9 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.9 | 174.7 | -177.6 | 64 | 0 | 0 | 0 | 109.9 | S277 I278 Y292 F333 Y345 | S277-L294 CarbonylContact C-O 3.53Å; S277-L294 WeakPolarHBondContact CA-O 3.36Å; I278-L294 HydrophobicContact CB-CB 4.27Å; I278-L294 HydrophobicContact CD1-CD2 4.36Å; I278-L294 PolarHBondContact N-O 2.84Å; I278-L294 PolarHBondContact O-N 2.84Å; Y292-L294 HydrophobicContact CE1-CB 3.89Å; L294-F333 HydrophobicContact CD2-CD1 4.09Å; L294-F333 HydrophobicContact CD2-CE1 3.96Å; L294-Y345 HydrophobicContact CD1-CE1 4.02Å; L294-Y345 HydrophobicContact CD2-CD1 4.25Å; L294-Y345 HydrophobicContact CD2-CD2 4.14Å; L294-Y345 HydrophobicContact CD2-CE1 4.04Å; L294-Y345 HydrophobicContact CD2-CE2 3.89Å; L294-Y345 HydrophobicContact CD2-CG 4.32Å; L294-Y345 HydrophobicContact CG-CE1 4.47Å |
| 295 | K | 94.4 | Very high | 85.3 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 34% | 0.335 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.4 | 173.5 | -73.2 | -157.2 | 173.4 | -142.1 | 0 | 110.3 | D275 S297 K298 | D275-K295 IonicContact OD2-NZ 3.6Å; K295-S297 VanDerWaalsContact C-N 3.35Å; K295-S297 PolarHBondContact O-N 2.78Å; K295-K298 HydrophobicContact CB-CG 4.35Å; K295-K298 PolarHBondContact O-N 2.9Å |
| 296 | T | 95.4 | Very high | 84 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -68.1 | -33.5 | -178.5 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | G276 I278 K298 V299 V335 I343 | G276-T296 WeakPolarHBondContact CA-OG1 3.46Å; G276-T296 WeakPolarHBondContact O-CG2 3.4Å; G276-T296 PolarHBondContact O-N 3.39Å; G276-T296 PolarHBondContact O-OG1 2.81Å; G276-T296 VanDerWaalsContact O-OG1 3.05Å; I278-T296 HydrophobicContact CD1-CG2 4.14Å; T296-K298 PolarHBondContact O-N 3.2Å; T296-V299 VanDerWaalsContact O-CB 3.31Å; T296-V299 WeakPolarHBondContact O-CB 3.43Å; T296-V299 WeakPolarHBondContact O-CG2 3.39Å; T296-V299 PolarHBondContact O-N 2.87Å; T296-V335 HydrophobicContact CG2-CG1 3.88Å; T296-I343 HydrophobicContact CG2-CD1 4.06Å |
| 297 | S | 92.9 | Very high | 82.6 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -56.8 | -17.7 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | K295 V299 F300 | K295-S297 VanDerWaalsContact C-N 3.35Å; K295-S297 PolarHBondContact O-N 2.78Å; S297-V299 PolarHBondContact O-N 2.79Å; S297-F300 PolarHBondContact O-N 2.8Å |
| 298 | K | 92.2 | Very high | 81.4 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.9 | 173.7 | -68.8 | -175.7 | 178.2 | 178.9 | 0 | 113.5 | K295 T296 K418 | K295-K298 HydrophobicContact CB-CG 4.35Å; K295-K298 PolarHBondContact O-N 2.9Å; T296-K298 PolarHBondContact O-N 3.2Å; K298-K418 WeakPolarHBondContact O-CE 3.25Å; K298-K418 PolarHBondContact O-NZ 2.81Å |
| 299 | V | 93.4 | Very high | 79.9 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -81.1 | -27.2 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | T296 S297 I343 Y345 I356 K418 V433 | T296-V299 VanDerWaalsContact O-CB 3.31Å; T296-V299 WeakPolarHBondContact O-CB 3.43Å; T296-V299 WeakPolarHBondContact O-CG2 3.39Å; T296-V299 PolarHBondContact O-N 2.87Å; S297-V299 PolarHBondContact O-N 2.79Å; V299-I343 HydrophobicContact CB-CD1 4.33Å; V299-I343 HydrophobicContact CG1-CD1 4.42Å; V299-I343 HydrophobicContact CG2-CD1 4.18Å; V299-I343 HydrophobicContact CG2-CG2 4.22Å; V299-Y345 HydrophobicContact CG2-CE1 4.44Å; V299-I356 HydrophobicContact CB-CD1 4.45Å; V299-I356 HydrophobicContact CG1-CD1 4.04Å; V299-I356 HydrophobicContact CG1-CG2 4.24Å; V299-K418 WeakPolarHBondContact O-CG 3.1Å; V299-K418 PolarHBondContact O-N 3.27Å; V299-V433 HydrophobicContact CG1-CG2 3.43Å; V299-V433 VanDerWaalsContact CG1-CG2 3.43Å |
| 300 | F | 92.8 | Very high | 78.2 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -103.3 | 155.7 | -172.3 | -56.7 | -75 | 0 | 0 | 0 | 112.7 | S297 F319 H341 I343 L415 K416 V417 K418 V433 | S297-F300 PolarHBondContact O-N 2.8Å; F300-F319 HydrophobicContact CB-CE1 3.84Å; F300-F319 HydrophobicContact CB-CZ 4.37Å; F300-F319 AromaticContact CD2-CD1 3.66Å; F300-F319 HydrophobicContact CD2-CD1 3.66Å; F300-F319 AromaticContact CD2-CE1 3.38Å; F300-F319 HydrophobicContact CD2-CE1 3.38Å; F300-F319 HydrophobicContact CE2-CD1 4.05Å; F300-F319 HydrophobicContact CE2-CE1 4.17Å; F300-F319 AromaticContact CG-CE1 3.82Å; F300-F319 HydrophobicContact CG-CE1 3.82Å; F300-H341 AromaticContact CE2-NE2 3.74Å; F300-H341 AromaticContact CZ-CD2 3.55Å; F300-H341 AromaticContact CZ-NE2 3.64Å; F300-I343 HydrophobicContact CE2-CD1 3.82Å; F300-I343 HydrophobicContact CZ-CD1 4.02Å; F300-I343 HydrophobicContact CZ-CG1 4.4Å; F300-L415 HydrophobicContact CD1-CB 3.63Å; F300-L415 HydrophobicContact CD1-CD1 4.24Å; F300-L415 HydrophobicContact CD2-CD1 4.15Å; F300-L415 HydrophobicContact CE1-CB 3.8Å; F300-L415 HydrophobicContact CE1-CD1 4.06Å; F300-L415 HydrophobicContact CE2-CD1 3.96Å; F300-L415 HydrophobicContact CG-CB 4.2Å; F300-L415 HydrophobicContact CG-CD1 4.27Å; F300-L415 HydrophobicContact CZ-CB 4.49Å; F300-L415 HydrophobicContact CZ-CD1 3.92Å; F300-K416 CarbonylContact C-O 3.56Å; F300-K416 VanDerWaalsContact CA-O 3.31Å; F300-K416 WeakPolarHBondContact CA-O 3.37Å; F300-K416 WeakPolarHBondContact CB-O 3.4Å; F300-V417 HydrophobicContact CD1-CG2 4.07Å; F300-V417 HydrophobicContact CE1-CG2 3.89Å; F300-K418 WeakPolarHBondContact O-CE 3.49Å; F300-V433 HydrophobicContact CE1-CG1 4.27Å; F300-V433 HydrophobicContact CZ-CG1 4.48Å |
| 301 | E | 90.8 | Very high | 76.2 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 143.9 | 167.4 | -65.3 | -172.9 | 178.3 | 0 | 0 | 109.8 | P303 K416 K418 | E301-P303 WeakPolarHBondContact O-CD 3.2Å; E301-K416 HydrophobicContact CB-CB 4.44Å; E301-K416 HydrophobicContact CG-CG 4.29Å; E301-K416 PolarHBondContact N-O 2.94Å; E301-K416 WeakPolarHBondContact OE1-CE 3.27Å; E301-K416 IonicContact OE1-NZ 3.73Å; E301-K416 PolarHBondContact OE1-NZ 2.94Å; E301-K416 VanDerWaalsContact OE2-CD 3.25Å; E301-K416 WeakPolarHBondContact OE2-CD 3.43Å; E301-K416 WeakPolarHBondContact OE2-CE 3.27Å; E301-K416 IonicContact OE2-NZ 3.62Å; E301-K416 PolarHBondContact OE2-NZ 2.85Å; E301-K418 HydrophobicContact CG-CG 4.28Å |
| 302 | K | 81.9 | Confident | 74.2 | Confident | 195 Ų | 195 | 75.5 Ų | 75.5 | 85% | 0.848 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 126.9 | 174.5 | -72.6 | -174 | 177.8 | -177.1 | 0 | 108.2 | K304 | K302-K304 PolarHBondContact O-N 2.91Š|
| 303 | P | 67.1 | Low | 72.3 | Confident | 81 Ų | 81 | 78 Ų | 78 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56 | 127.1 | 175.5 | -19.3 | 28.9 | 0 | 0 | 0 | 109 | E301 | E301-P303 WeakPolarHBondContact O-CD 3.2Š|
| 304 | K | 63.5 | Low | 70.5 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 133.3 | 170 | -71.6 | 168.7 | 179.7 | 178.9 | 0 | 107.5 | K302 G306 E307 | K302-K304 PolarHBondContact O-N 2.91Å; K304-G306 PolarHBondContact O-N 2.81Å; K304-E307 HydrophobicContact CB-CB 4.24Å; K304-E307 WeakPolarHBondContact CD-OE2 3.35Å; K304-E307 IonicContact NZ-OE2 3.14Å; K304-E307 PolarHBondContact NZ-OE2 2.97Å; K304-E307 PolarHBondContact O-N 2.88Å; K304-E307 VanDerWaalsContact O-N 3.12Å |
| 305 | P | 52.7 | Low | 68.7 | Low | 139 Ų | 139 | 87 Ų | 87 | 90% | 0.903 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 116 | 177.4 | 22.9 | -30.8 | 0 | 0 | 0 | 109.5 | ||
| 306 | G | 53.5 | Low | 67.5 | Low | 87 Ų | 87 | 87.9 Ų | 87.9 | 90% | 0.897 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117 | K304 | K304-G306 PolarHBondContact O-N 2.81Š|
| 307 | E | 47.3 | Very low | 66.9 | Low | 133 Ų | 133 | 91.1 Ų | 91.1 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | trans | -117.4 | 113.2 | 172.4 | -78.6 | -175.2 | 161.5 | 0 | 0 | 110.7 | K304 | K304-E307 HydrophobicContact CB-CB 4.24Å; K304-E307 WeakPolarHBondContact CD-OE2 3.35Å; K304-E307 IonicContact NZ-OE2 3.14Å; K304-E307 PolarHBondContact NZ-OE2 2.97Å; K304-E307 PolarHBondContact O-N 2.88Å; K304-E307 VanDerWaalsContact O-N 3.12Å | ||
| 308 | G | 53.7 | Low | 66.6 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 130.6 | 143.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A310 | G308-A310 PolarHBondContact O-N 3.43Š|
| 309 | R | 56.8 | Low | 66.7 | Low | 79 Ų | 79 | 85.2 Ų | 85.2 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -70 | -2.2 | 176.5 | -66 | -171.2 | -176.2 | 173.2 | 0.8 | 113.7 | A311 E312 D410 W438 | R309-A311 PolarHBondContact O-N 2.81Å; R309-E312 WeakPolarHBondContact O-CB 3.44Å; R309-E312 PolarHBondContact O-N 3.19Å; R309-D410 IonicContact CZ-OD1 2.76Å; R309-D410 IonicContact NH1-OD1 3.55Å; R309-D410 IonicContact NH2-OD1 2.7Å; R309-D410 PolarHBondContact NH2-OD1 3Å; R309-D410 VanDerWaalsContact NH2-OD1 3.08Å; R309-W438 HydrophobicContact CB-CH2 4.49Å; R309-W438 HydrophobicContact CB-CZ2 4.13Å |
| 310 | A | 51 | Low | 66.7 | Low | 28 Ų | 28 | 85.5 Ų | 85.5 | 23% | 0.231 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -61.4 | -25.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | G308 E312 | G308-A310 PolarHBondContact O-N 3.43Å; A310-E312 PolarHBondContact O-N 3.35Å |
| 311 | A | 48.7 | Very low | 66.9 | Low | 93 Ų | 93 | 85.5 Ų | 85.5 | 77% | 0.769 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -71.6 | -13.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R309 | R309-A311 PolarHBondContact O-N 2.81Š|
| 312 | E | 50.2 | Low | 67.1 | Low | 134 Ų | 134 | 83.9 Ų | 83.9 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -88.2 | -12.1 | 179.8 | -61.1 | 177.8 | 164.8 | 0 | 0 | 112.7 | R309 A310 G314 | R309-E312 WeakPolarHBondContact O-CB 3.44Å; R309-E312 PolarHBondContact O-N 3.19Å; A310-E312 PolarHBondContact O-N 3.35Å; E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 3.34Å |
| 313 | L | 52.8 | Low | 67.7 | Low | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.366 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -80.5 | 7.7 | -178.3 | -95.5 | 114.5 | 0 | 0 | 0 | 115.3 | W438 | L313-W438 HydrophobicContact CD1-CZ2 4.31Š|
| 314 | G | 54.1 | Low | 69.2 | Low | 55 Ų | 55 | 74 Ų | 74 | 57% | 0.567 | 44% | 0.437 | S | S | * | . | trans | 92.7 | -170.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E312 E316 | E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 3.34Å; G314-E316 PolarHBondContact O-N 3.39Å | ||
| 315 | E | 58.4 | Low | 70.7 | Confident | 211 Ų | 211 | 69 Ų | 69 | 99% | 0.986 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -72.6 | -2.9 | -176.9 | -69.9 | -168.3 | 157.1 | 0 | 0 | 114.5 | ||
| 316 | E | 68.4 | Low | 72.7 | Confident | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -79 | 143.2 | -178 | -67.3 | -170.1 | 164 | 0 | 0 | 112.4 | G314 P626 | G314-E316 PolarHBondContact O-N 3.39Å; E316-P626 WeakPolarHBondContact OE1-CB 3.42Å; E316-P626 WeakPolarHBondContact OE1-CG 3.43Å |
| 317 | D | 82.1 | Confident | 74.7 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | trans | -66.1 | 124.4 | 175.4 | -174.9 | -41 | 0 | 0 | 0 | 109.2 | A274 F319 A320 | A274-D317 WeakPolarHBondContact O-CB 3.49Å; D317-F319 PolarHBondContact O-N 3.25Å; D317-F319 WeakPolarHBondContact OD1-CB 3.15Å; D317-F319 WeakPolarHBondContact OD1-CD2 3.44Å; D317-F319 PolarHBondContact OD1-N 2.7Å; D317-A320 VanDerWaalsContact O-CB 3.29Å; D317-A320 WeakPolarHBondContact O-CB 3.24Å; D317-A320 PolarHBondContact O-N 2.86Å | ||
| 318 | P | 87.9 | Confident | 76.9 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.1 | -173.8 | 29.2 | -38.2 | 0 | 0 | 0 | 113.4 | S339 L415 | P318-S339 WeakPolarHBondContact CA-OG 3.5Å; P318-S339 WeakPolarHBondContact CB-OG 3.4Å; P318-S339 WeakPolarHBondContact O-CB 3.25Å; P318-S339 PolarHBondContact O-OG 3.1Å; P318-L415 HydrophobicContact CB-CD2 4.03Å; P318-L415 HydrophobicContact CG-CD2 4.28Å |
| 319 | F | 92.7 | Very high | 78.8 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.8 | 177.1 | -52.9 | -62.5 | 0 | 0 | 0 | 113.7 | G276 F300 D317 V321 L415 | G276-F319 WeakPolarHBondContact CA-O 3.37Å; F300-F319 HydrophobicContact CB-CE1 3.84Å; F300-F319 HydrophobicContact CB-CZ 4.37Å; F300-F319 AromaticContact CD2-CD1 3.66Å; F300-F319 HydrophobicContact CD2-CD1 3.66Å; F300-F319 AromaticContact CD2-CE1 3.38Å; F300-F319 HydrophobicContact CD2-CE1 3.38Å; F300-F319 HydrophobicContact CE2-CD1 4.05Å; F300-F319 HydrophobicContact CE2-CE1 4.17Å; F300-F319 AromaticContact CG-CE1 3.82Å; F300-F319 HydrophobicContact CG-CE1 3.82Å; D317-F319 PolarHBondContact O-N 3.25Å; D317-F319 WeakPolarHBondContact OD1-CB 3.15Å; D317-F319 WeakPolarHBondContact OD1-CD2 3.44Å; D317-F319 PolarHBondContact OD1-N 2.7Å; F319-V321 PolarHBondContact O-N 3.31Å; F319-L415 HydrophobicContact CD1-CD1 3.82Å; F319-L415 HydrophobicContact CD1-CD2 4.49Å; F319-L415 HydrophobicContact CE1-CD1 3.73Å; F319-L415 HydrophobicContact CE1-CD2 3.75Å; F319-L415 HydrophobicContact CE1-CG 4.35Å; F319-L415 HydrophobicContact CZ-CD2 4.13Å |
| 320 | A | 94.5 | Very high | 80.5 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | trans | -49.4 | 129.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A274 D317 Q322 G337 I338 | A274-A320 VanDerWaalsContact O-CA 3.23Å; A274-A320 WeakPolarHBondContact O-CA 3.36Å; A274-A320 VanDerWaalsContact O-CB 3.27Å; A274-A320 WeakPolarHBondContact O-CB 3.32Å; D317-A320 VanDerWaalsContact O-CB 3.29Å; D317-A320 WeakPolarHBondContact O-CB 3.24Å; D317-A320 PolarHBondContact O-N 2.86Å; A320-Q322 PolarHBondContact O-N 2.98Å; A320-G337 CarbonylContact O-C 3.6Å; A320-G337 VanDerWaalsContact O-CA 3.31Å; A320-G337 WeakPolarHBondContact O-CA 3.45Å; A320-I338 HydrophobicContact CB-CB 4.21Å; A320-I338 HydrophobicContact CB-CG2 3.9Å; A320-I338 PolarHBondContact O-N 3.44Å | ||
| 321 | V | 96.8 | Very high | 82.6 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.2 | -178.4 | -176 | 0 | 0 | 0 | 0 | 109.1 | T218 H273 I278 F319 V324 V335 | T218-V321 WeakPolarHBondContact CB-O 3.49Å; T218-V321 PolarHBondContact OG1-O 3.33Å; H273-V321 PolarHBondContact O-N 2.68Å; H273-V321 VanDerWaalsContact O-N 3.08Å; I278-V321 HydrophobicContact CD1-CG2 4.21Å; I278-V321 HydrophobicContact CG1-CG2 3.8Å; F319-V321 PolarHBondContact O-N 3.31Å; V321-V324 HydrophobicContact CG1-CG1 3.81Å; V321-V335 HydrophobicContact CG1-CG1 3.93Å; V321-V335 HydrophobicContact CG2-CG1 4.33Å |
| 322 | Q | 94.8 | Very high | 84.8 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -46.2 | 179 | -172.6 | -171.1 | -20.2 | 0 | 0 | 111.7 | C219 A320 V336 I338 I447 | C219-Q322 WeakPolarHBondContact CB-O 2.94Å; A320-Q322 PolarHBondContact O-N 2.98Å; Q322-V336 HydrophobicContact CB-CG1 4.35Å; Q322-V336 PolarHBondContact N-O 2.77Å; Q322-I338 HydrophobicContact CB-CD1 4.48Å; Q322-I338 HydrophobicContact CG-CD1 4.34Å; Q322-I447 PolarHBondContact NE2-O 3.4Å |
| 323 | M | 95.3 | Very high | 87.1 | Confident | 44 Ų | 44 | 40 Ų | 40 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 161.6 | 178.5 | 61.2 | 178.5 | 77.4 | 0 | 0 | 110.5 | V336 I447 L450 | M323-V336 HydrophobicContact CG-CB 3.48Å; M323-V336 VanDerWaalsContact CG-CB 3.48Å; M323-V336 HydrophobicContact CG-CG1 4.13Å; M323-V336 HydrophobicContact CG-CG2 3.46Å; M323-V336 VanDerWaalsContact CG-CG2 3.46Å; M323-V336 PolarHBondContact N-O 2.88Å; M323-V336 PolarHBondContact O-N 3.46Å; M323-V336 HydrophobicContact SD-CB 4.46Å; M323-V336 HydrophobicContact SD-CG2 4.04Å; M323-I447 VanDerWaalsContact CE-O 3.25Å; M323-I447 WeakPolarHBondContact CE-O 3.35Å; M323-L450 HydrophobicContact SD-CB 4.07Å |
| 324 | V | 97.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.2 | 179 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | A221 I270 V321 F333 C334 | A221-V324 HydrophobicContact CB-CG2 3.81Å; I270-V324 HydrophobicContact CG2-CG2 4.27Å; V321-V324 HydrophobicContact CG1-CG1 3.81Å; V324-F333 HydrophobicContact CB-CE2 3.81Å; V324-F333 HydrophobicContact CB-CZ 3.98Å; V324-F333 HydrophobicContact CG1-CE2 4.21Å; V324-F333 HydrophobicContact CG1-CZ 3.85Å; V324-F333 HydrophobicContact CG2-CE2 4.47Å; V324-C334 WeakPolarHBondContact CA-O 3.45Å |
| 325 | S | 95.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 34 Ų | 34 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131 | 169.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | F333 C334 | S325-F333 WeakPolarHBondContact O-CD2 3.44Å; S325-C334 PolarHBondContact N-O 2.91Å; S325-C334 PolarHBondContact O-N 3.1Å |
| 326 | W | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 24 Ų | 24 | 5% | 0.045 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.9 | -174.7 | -174.3 | 45.1 | 0 | 0 | 0 | 110.6 | F223 I230 I268 I270 F280 P328 F333 Y428 | F223-W326 HydrophobicContact CB-CE3 4.5Å; F223-W326 HydrophobicContact CB-CZ3 4.2Å; F223-W326 HydrophobicContact CD1-CE3 4.13Å; F223-W326 AromaticContact CD2-CE3 3.56Å; F223-W326 HydrophobicContact CD2-CE3 3.56Å; F223-W326 AromaticContact CD2-CZ3 3.93Å; F223-W326 HydrophobicContact CD2-CZ3 3.93Å; F223-W326 HydrophobicContact CE1-CB 4.39Å; F223-W326 HydrophobicContact CE1-CE3 4.23Å; F223-W326 HydrophobicContact CE2-CB 4.23Å; F223-W326 AromaticContact CE2-CE3 3.67Å; F223-W326 HydrophobicContact CE2-CE3 3.67Å; F223-W326 HydrophobicContact CE2-CZ3 4.48Å; F223-W326 AromaticContact CG-CE3 3.8Å; F223-W326 HydrophobicContact CG-CE3 3.8Å; F223-W326 AromaticContact CG-CZ3 3.99Å; F223-W326 HydrophobicContact CG-CZ3 3.99Å; F223-W326 HydrophobicContact CZ-CB 3.79Å; F223-W326 HydrophobicContact CZ-CE3 4.02Å; I230-W326 HydrophobicContact CD1-CZ2 4.17Å; I230-W326 HydrophobicContact CG1-CH2 3.98Å; I230-W326 HydrophobicContact CG1-CZ2 3.92Å; I268-W326 HydrophobicContact CB-CH2 4.27Å; I268-W326 HydrophobicContact CB-CZ3 3.92Å; I268-W326 HydrophobicContact CG1-CH2 4.16Å; I268-W326 HydrophobicContact CG1-CZ3 4.31Å; I268-W326 HydrophobicContact CG2-CH2 4.12Å; I268-W326 HydrophobicContact CG2-CZ3 3.75Å; I270-W326 HydrophobicContact CD1-CB 4.03Å; I270-W326 HydrophobicContact CD1-CD2 3.84Å; I270-W326 HydrophobicContact CD1-CE3 3.67Å; I270-W326 HydrophobicContact CD1-CG 4.01Å; I270-W326 HydrophobicContact CD1-CZ3 4.4Å; F280-W326 HydrophobicContact CE1-CD2 4.43Å; F280-W326 HydrophobicContact CE1-CZ2 4.4Å; W326-P328 HydrophobicContact CD2-CG 4.14Å; W326-P328 HydrophobicContact CE3-CB 4.41Å; W326-P328 HydrophobicContact CE3-CG 3.72Å; W326-P328 HydrophobicContact CH2-CB 3.84Å; W326-P328 HydrophobicContact CH2-CG 3.99Å; W326-P328 HydrophobicContact CZ2-CB 4.05Å; W326-P328 HydrophobicContact CZ2-CG 4.38Å; W326-P328 HydrophobicContact CZ3-CB 4.04Å; W326-P328 HydrophobicContact CZ3-CG 3.65Å; W326-P328 WeakPolarHBondContact O-CD 3.33Å; W326-F333 HydrophobicContact CB-CD2 3.66Å; W326-F333 HydrophobicContact CB-CE2 4.08Å; W326-F333 AromaticContact CD1-CD2 3.71Å; W326-F333 AromaticContact CG-CD2 3.89Å; W326-F333 HydrophobicContact CG-CD2 3.89Å; W326-Y428 AromaticContact NE1-CZ 3.68Å; W326-Y428 PolarHBondContact NE1-OH 2.65Å |
| 327 | C | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 14% | 0.142 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 102.4 | 170.2 | 179 | 0 | 0 | 0 | 0 | 108.7 | H329 S330 R331 I332 | C327-H329 VanDerWaalsContact C-N 3.26Å; C327-H329 PolarHBondContact O-N 3.43Å; C327-S330 WeakPolarHBondContact CB-OG 3.48Å; C327-S330 PolarHBondContact O-N 2.8Å; C327-S330 PolarHBondContact SG-OG 2.67Å; C327-R331 VanDerWaalsContact O-CA 3.3Å; C327-R331 WeakPolarHBondContact O-CA 3.13Å; C327-R331 PolarHBondContact O-N 3.19Å; C327-I332 PolarHBondContact N-O 2.95Å |
| 328 | P | 93.7 | Very high | 95 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -38.1 | -177.3 | -23.7 | 30.4 | 0 | 0 | 0 | 113.4 | F223 P227 W326 R331 | F223-P328 HydrophobicContact CD1-CG 4.1Å; P227-P328 HydrophobicContact CG-CB 4.2Å; W326-P328 HydrophobicContact CD2-CG 4.14Å; W326-P328 HydrophobicContact CE3-CB 4.41Å; W326-P328 HydrophobicContact CE3-CG 3.72Å; W326-P328 HydrophobicContact CH2-CB 3.84Å; W326-P328 HydrophobicContact CH2-CG 3.99Å; W326-P328 HydrophobicContact CZ2-CB 4.05Å; W326-P328 HydrophobicContact CZ2-CG 4.38Å; W326-P328 HydrophobicContact CZ3-CB 4.04Å; W326-P328 HydrophobicContact CZ3-CG 3.65Å; W326-P328 WeakPolarHBondContact O-CD 3.33Å; P328-R331 WeakPolarHBondContact O-CG 3.24Å |
| 329 | H | 92.2 | Very high | 95.1 | Very high | 70 Ų | 70 | 16.6 Ų | 16.6 | 32% | 0.324 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -40.9 | -176.9 | -68 | 96.9 | 0 | 0 | 0 | 114 | C327 Y738 W741 | C327-H329 VanDerWaalsContact C-N 3.26Å; C327-H329 PolarHBondContact O-N 3.43Å; H329-Y738 HydrophobicContact CB-CD2 3.33Å; H329-Y738 HydrophobicContact CB-CE2 3.39Å; H329-Y738 HydrophobicContact CB-CG 3.94Å; H329-Y738 AromaticContact CD2-CE2 3.7Å; H329-Y738 AromaticContact CD2-CZ 3.67Å; H329-Y738 AromaticContact CG-CD2 3.91Å; H329-Y738 AromaticContact CG-CE2 3.52Å; H329-Y738 AromaticContact CG-CZ 3.64Å; H329-W741 VanDerWaalsContact O-CB 3.27Å; H329-W741 WeakPolarHBondContact O-CB 3.5Å; H329-W741 PolarHBondContact O-N 3.22Å |
| 330 | S | 93.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 6% | 0.056 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -17.1 | 177.5 | 67.7 | 0 | 0 | 0 | 0 | 113 | C327 I332 S454 E739 | C327-S330 WeakPolarHBondContact CB-OG 3.48Å; C327-S330 PolarHBondContact O-N 2.8Å; C327-S330 PolarHBondContact SG-OG 2.67Å; S330-I332 PolarHBondContact O-N 2.79Å; S330-I332 PolarHBondContact OG-N 3.44Å; S330-S454 VanDerWaalsContact CB-CB 3.4Å; S330-S454 WeakPolarHBondContact CB-OG 3.32Å; S330-S454 VanDerWaalsContact OG-CB 3.23Å; S330-S454 WeakPolarHBondContact OG-CB 3.4Å; S330-S454 PolarHBondContact OG-OG 2.86Å; S330-E739 WeakPolarHBondContact CA-O 3.46Å; S330-E739 WeakPolarHBondContact CB-O 3.31Å; S330-E739 PolarHBondContact N-O 2.86Å |
| 331 | R | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.2 | -172.3 | -48.4 | -179.8 | -169.5 | 175.6 | 0.2 | 112.7 | D229 I230 C327 P328 F347 Y428 W741 | D229-R331 IonicContact OD1-NH2 2.95Å; D229-R331 PolarHBondContact OD1-NH2 2.84Å; D229-R331 VanDerWaalsContact OD1-NH2 3.11Å; D229-R331 IonicContact OD2-CZ 2.83Å; D229-R331 IonicContact OD2-NH2 3.43Å; D229-R331 PolarHBondContact OD2-NH2 2.92Å; I230-R331 HydrophobicContact CD1-CG 4.08Å; C327-R331 VanDerWaalsContact O-CA 3.3Å; C327-R331 WeakPolarHBondContact O-CA 3.13Å; C327-R331 PolarHBondContact O-N 3.19Å; P328-R331 WeakPolarHBondContact O-CG 3.24Å; R331-F347 HydrophobicContact CB-CB 3.45Å; R331-F347 VanDerWaalsContact CB-CB 3.45Å; R331-F347 HydrophobicContact CB-CG 4.11Å; R331-F347 HydrophobicContact CG-CB 4.41Å; R331-F347 PolarHBondContact O-N 3.37Å; R331-Y428 VanDerWaalsContact O-CE1 3.31Å; R331-Y428 WeakPolarHBondContact O-CE1 3.49Å; R331-W741 HydrophobicContact CB-CG 4.25Å; R331-W741 HydrophobicContact CG-CB 3.93Å; R331-W741 HydrophobicContact CG-CG 3.88Å; R331-W741 VanDerWaalsContact CZ-CE3 3.43Å; R331-W741 VanDerWaalsContact NH1-CE3 3.28Å |
| 332 | I | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.5 | 166.8 | -56.6 | 178.8 | 0 | 0 | 0 | 107.5 | C327 S330 L344 L452 Y472 | C327-I332 PolarHBondContact N-O 2.95Å; S330-I332 PolarHBondContact O-N 2.79Å; S330-I332 PolarHBondContact OG-N 3.44Å; I332-L344 HydrophobicContact CG2-CD1 4.27Å; I332-L344 HydrophobicContact CG2-CD2 4.19Å; I332-L344 HydrophobicContact CG2-CG 4.07Å; I332-L452 HydrophobicContact CB-CD2 4Å; I332-L452 HydrophobicContact CG2-CD1 4.2Å; I332-L452 HydrophobicContact CG2-CD2 3.58Å; I332-L452 HydrophobicContact CG2-CG 4.47Å; I332-Y472 HydrophobicContact CD1-CE2 4.11Å; I332-Y472 WeakPolarHBondContact CD1-OH 3.48Å |
| 333 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.6 | -175.9 | -178 | -125.4 | 0 | 0 | 0 | 110.6 | I270 I278 F280 L294 V324 S325 W326 V335 Y345 Y428 | I270-F333 HydrophobicContact CD1-CE2 4.08Å; I270-F333 HydrophobicContact CG2-CZ 4.27Å; I278-F333 HydrophobicContact CD1-CE1 3.78Å; I278-F333 HydrophobicContact CD1-CZ 4.06Å; I278-F333 HydrophobicContact CG2-CE1 4.12Å; I278-F333 HydrophobicContact CG2-CZ 3.91Å; F280-F333 HydrophobicContact CE2-CE1 4.37Å; F280-F333 HydrophobicContact CZ-CD1 4.31Å; F280-F333 HydrophobicContact CZ-CD2 4.48Å; F280-F333 HydrophobicContact CZ-CE1 4.18Å; F280-F333 HydrophobicContact CZ-CE2 4.35Å; F280-F333 HydrophobicContact CZ-CG 4.46Å; F280-F333 HydrophobicContact CZ-CZ 4.21Å; L294-F333 HydrophobicContact CD2-CD1 4.09Å; L294-F333 HydrophobicContact CD2-CE1 3.96Å; V324-F333 HydrophobicContact CB-CE2 3.81Å; V324-F333 HydrophobicContact CB-CZ 3.98Å; V324-F333 HydrophobicContact CG1-CE2 4.21Å; V324-F333 HydrophobicContact CG1-CZ 3.85Å; V324-F333 HydrophobicContact CG2-CE2 4.47Å; S325-F333 WeakPolarHBondContact O-CD2 3.44Å; W326-F333 HydrophobicContact CB-CD2 3.66Å; W326-F333 HydrophobicContact CB-CE2 4.08Å; W326-F333 AromaticContact CD1-CD2 3.71Å; W326-F333 AromaticContact CG-CD2 3.89Å; W326-F333 HydrophobicContact CG-CD2 3.89Å; F333-V335 HydrophobicContact CD1-CG2 3.87Å; F333-V335 HydrophobicContact CE1-CG2 3.32Å; F333-V335 HydrophobicContact CZ-CG2 3.77Å; F333-Y345 HydrophobicContact CD1-CD2 4.03Å; F333-Y345 PolarHBondContact N-O 2.84Å; F333-Y345 PolarHBondContact O-N 3.1Å; F333-Y428 HydrophobicContact CB-CD1 3.63Å; F333-Y428 HydrophobicContact CB-CE1 3.53Å; F333-Y428 HydrophobicContact CB-CG 4.48Å; F333-Y428 HydrophobicContact CD1-CD1 4.49Å; F333-Y428 HydrophobicContact CG-CD1 4.43Å; F333-Y428 HydrophobicContact CG-CE1 4.41Å |
| 334 | C | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137 | 179.5 | -72.8 | 0 | 0 | 0 | 0 | 110.7 | V324 S325 I343 L450 L459 | V324-C334 WeakPolarHBondContact CA-O 3.45Å; S325-C334 PolarHBondContact N-O 2.91Å; S325-C334 PolarHBondContact O-N 3.1Å; C334-I343 CarbonylContact C-O 3.57Å; C334-I343 VanDerWaalsContact CA-O 3.31Å; C334-I343 WeakPolarHBondContact CA-O 3.26Å; C334-L450 HydrophobicContact CB-CD2 3.94Å; C334-L459 HydrophobicContact CB-CD1 4.35Å; C334-L459 WeakPolarHBondContact SG-CD1 3.32Å |
| 335 | V | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.2 | -178.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | I278 T296 V321 F333 I342 I343 Y345 | I278-V335 HydrophobicContact CD1-CB 4.14Å; I278-V335 HydrophobicContact CD1-CG1 3.66Å; I278-V335 HydrophobicContact CD1-CG2 3.32Å; T296-V335 HydrophobicContact CG2-CG1 3.88Å; V321-V335 HydrophobicContact CG1-CG1 3.93Å; V321-V335 HydrophobicContact CG2-CG1 4.33Å; F333-V335 HydrophobicContact CD1-CG2 3.87Å; F333-V335 HydrophobicContact CE1-CG2 3.32Å; F333-V335 HydrophobicContact CZ-CG2 3.77Å; V335-I342 CarbonylContact O-C 3.57Å; V335-I342 VanDerWaalsContact O-CA 3.27Å; V335-I342 WeakPolarHBondContact O-CA 3.17Å; V335-I343 PolarHBondContact N-O 2.81Å; V335-I343 PolarHBondContact O-N 2.93Å; V335-Y345 HydrophobicContact CB-CE2 4.33Å; V335-Y345 HydrophobicContact CG2-CD2 4.06Å; V335-Y345 HydrophobicContact CG2-CE2 3.73Å |
| 336 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.8 | 171 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | Q322 M323 H341 I342 I447 L450 | Q322-V336 HydrophobicContact CB-CG1 4.35Å; Q322-V336 PolarHBondContact N-O 2.77Å; M323-V336 HydrophobicContact CG-CB 3.48Å; M323-V336 VanDerWaalsContact CG-CB 3.48Å; M323-V336 HydrophobicContact CG-CG1 4.13Å; M323-V336 HydrophobicContact CG-CG2 3.46Å; M323-V336 VanDerWaalsContact CG-CG2 3.46Å; M323-V336 PolarHBondContact N-O 2.88Å; M323-V336 PolarHBondContact O-N 3.46Å; M323-V336 HydrophobicContact SD-CB 4.46Å; M323-V336 HydrophobicContact SD-CG2 4.04Å; V336-H341 WeakPolarHBondContact CA-O 3.37Å; V336-I342 HydrophobicContact CG2-CG1 4.33Å; V336-I447 HydrophobicContact CG1-CB 3.8Å; V336-I447 HydrophobicContact CG1-CD1 3.82Å; V336-I447 HydrophobicContact CG1-CG1 4.39Å; V336-I447 HydrophobicContact CG1-CG2 4.13Å; V336-L450 HydrophobicContact CG2-CB 4.35Å; V336-L450 HydrophobicContact CG2-CD2 3.71Å; V336-L450 HydrophobicContact CG2-CG 4.43Å |
| 337 | G | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 156.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A320 S339 A340 H341 | A320-G337 CarbonylContact O-C 3.6Å; A320-G337 VanDerWaalsContact O-CA 3.31Å; A320-G337 WeakPolarHBondContact O-CA 3.45Å; G337-S339 PolarHBondContact O-N 3.13Å; G337-S339 VanDerWaalsContact O-N 3.11Å; G337-A340 PolarHBondContact O-N 2.72Å; G337-A340 VanDerWaalsContact O-N 3.09Å; G337-H341 PolarHBondContact N-O 2.88Å |
| 338 | I | 91.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 12.8 Ų | 12.8 | 15% | 0.154 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.5 | -176.3 | -155.7 | 67.6 | 0 | 0 | 0 | 113.1 | A320 Q322 A340 | A320-I338 HydrophobicContact CB-CB 4.21Å; A320-I338 HydrophobicContact CB-CG2 3.9Å; A320-I338 PolarHBondContact O-N 3.44Å; Q322-I338 HydrophobicContact CB-CD1 4.48Å; Q322-I338 HydrophobicContact CG-CD1 4.34Å; I338-A340 PolarHBondContact O-N 3.2Å |
| 339 | S | 90.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.035 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 30.8 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | P318 G337 H341 | P318-S339 WeakPolarHBondContact CA-OG 3.5Å; P318-S339 WeakPolarHBondContact CB-OG 3.4Å; P318-S339 WeakPolarHBondContact O-CB 3.25Å; P318-S339 PolarHBondContact O-OG 3.1Å; G337-S339 PolarHBondContact O-N 3.13Å; G337-S339 VanDerWaalsContact O-N 3.11Å; S339-H341 PolarHBondContact O-N 3.07Å |
| 340 | A | 92.1 | Very high | 95 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G337 I338 L436 P444 | G337-A340 PolarHBondContact O-N 2.72Å; G337-A340 VanDerWaalsContact O-N 3.09Å; I338-A340 PolarHBondContact O-N 3.2Å; A340-L436 HydrophobicContact CB-CB 4.06Å; A340-L436 HydrophobicContact CB-CD1 4.16Å; A340-L436 PolarHBondContact O-N 3.08Å; A340-L436 VanDerWaalsContact O-N 3.1Å; A340-P444 HydrophobicContact CB-CB 3.77Å; A340-P444 HydrophobicContact CB-CG 3.81Å |
| 341 | H | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.9 | 176.4 | 67.2 | -89.2 | 0 | 0 | 0 | 111.2 | F300 V336 G337 S339 I434 Q435 | F300-H341 AromaticContact CE2-NE2 3.74Å; F300-H341 AromaticContact CZ-CD2 3.55Å; F300-H341 AromaticContact CZ-NE2 3.64Å; V336-H341 WeakPolarHBondContact CA-O 3.37Å; G337-H341 PolarHBondContact N-O 2.88Å; S339-H341 PolarHBondContact O-N 3.07Å; H341-I434 CarbonylContact C-O 3.58Å; H341-I434 VanDerWaalsContact CA-O 3.26Å; H341-I434 WeakPolarHBondContact CA-O 3.27Å; H341-Q435 HydrophobicContact CB-CG 4.44Å |
| 342 | I | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.8 | 176 | -50.9 | 173.2 | 0 | 0 | 0 | 108 | V335 V336 V433 I434 I447 L450 L459 F461 | V335-I342 CarbonylContact O-C 3.57Å; V335-I342 VanDerWaalsContact O-CA 3.27Å; V335-I342 WeakPolarHBondContact O-CA 3.17Å; V336-I342 HydrophobicContact CG2-CG1 4.33Å; I342-V433 CarbonylContact O-C 3.59Å; I342-V433 VanDerWaalsContact O-CA 3.28Å; I342-V433 WeakPolarHBondContact O-CA 3.47Å; I342-I434 HydrophobicContact CB-CB 4.23Å; I342-I434 PolarHBondContact N-O 2.96Å; I342-I434 PolarHBondContact O-N 3.18Å; I342-I447 HydrophobicContact CD1-CD1 3.87Å; I342-I447 HydrophobicContact CG1-CD1 3.55Å; I342-L450 HydrophobicContact CD1-CD1 3.97Å; I342-L450 HydrophobicContact CG2-CD1 4.43Å; I342-L459 HydrophobicContact CD1-CD2 4.03Å; I342-L459 HydrophobicContact CG2-CD1 4.09Å; I342-F461 HydrophobicContact CD1-CB 3.67Å; I342-F461 HydrophobicContact CD1-CD1 3.5Å; I342-F461 VanDerWaalsContact CD1-CD1 3.5Å; I342-F461 HydrophobicContact CD1-CD2 3.92Å; I342-F461 HydrophobicContact CD1-CE1 4.03Å; I342-F461 HydrophobicContact CD1-CE2 4.4Å; I342-F461 HydrophobicContact CD1-CG 3.42Å; I342-F461 VanDerWaalsContact CD1-CG 3.42Å; I342-F461 HydrophobicContact CD1-CZ 4.45Å |
| 343 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.8 | 172.6 | -45.2 | 176.8 | 0 | 0 | 0 | 108.2 | T296 V299 F300 C334 V335 Y345 V433 | T296-I343 HydrophobicContact CG2-CD1 4.06Å; V299-I343 HydrophobicContact CB-CD1 4.33Å; V299-I343 HydrophobicContact CG1-CD1 4.42Å; V299-I343 HydrophobicContact CG2-CD1 4.18Å; V299-I343 HydrophobicContact CG2-CG2 4.22Å; F300-I343 HydrophobicContact CE2-CD1 3.82Å; F300-I343 HydrophobicContact CZ-CD1 4.02Å; F300-I343 HydrophobicContact CZ-CG1 4.4Å; C334-I343 CarbonylContact C-O 3.57Å; C334-I343 VanDerWaalsContact CA-O 3.31Å; C334-I343 WeakPolarHBondContact CA-O 3.26Å; V335-I343 PolarHBondContact N-O 2.81Å; V335-I343 PolarHBondContact O-N 2.93Å; I343-Y345 HydrophobicContact CB-CD2 4.33Å; I343-Y345 HydrophobicContact CB-CE2 3.65Å; I343-Y345 HydrophobicContact CG2-CD2 3.94Å; I343-Y345 HydrophobicContact CG2-CE1 4.08Å; I343-Y345 HydrophobicContact CG2-CE2 3.35Å; I343-Y345 VanDerWaalsContact CG2-CZ 3.43Å; I343-V433 HydrophobicContact CG2-CG2 4.3Å |
| 344 | L | 97.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.8 | 171.6 | -173.1 | 150.8 | 0 | 0 | 0 | 109.5 | I332 R346 D431 L432 L452 L459 Y472 | I332-L344 HydrophobicContact CG2-CD1 4.27Å; I332-L344 HydrophobicContact CG2-CD2 4.19Å; I332-L344 HydrophobicContact CG2-CG 4.07Å; L344-R346 HydrophobicContact CD2-CG 4.12Å; L344-D431 HydrophobicContact CD2-CB 4.18Å; L344-D431 PolarHBondContact O-N 3.49Å; L344-L432 HydrophobicContact CB-CB 4.25Å; L344-L432 PolarHBondContact N-O 2.67Å; L344-L432 PolarHBondContact O-N 3.15Å; L344-L452 HydrophobicContact CD1-CD1 4.29Å; L344-L459 HydrophobicContact CD1-CD1 4.4Å; L344-Y472 HydrophobicContact CD1-CD1 3.75Å; L344-Y472 HydrophobicContact CD1-CD2 3.94Å; L344-Y472 HydrophobicContact CD1-CE1 4.38Å; L344-Y472 HydrophobicContact CD1-CG 3.51Å |
| 345 | Y | 96.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.9 | 177.5 | -64.6 | -89.3 | 0 | 0 | 0 | 111.1 | L294 V299 F333 V335 I343 Y428 Q429 | L294-Y345 HydrophobicContact CD1-CE1 4.02Å; L294-Y345 HydrophobicContact CD2-CD1 4.25Å; L294-Y345 HydrophobicContact CD2-CD2 4.14Å; L294-Y345 HydrophobicContact CD2-CE1 4.04Å; L294-Y345 HydrophobicContact CD2-CE2 3.89Å; L294-Y345 HydrophobicContact CD2-CG 4.32Å; L294-Y345 HydrophobicContact CG-CE1 4.47Å; V299-Y345 HydrophobicContact CG2-CE1 4.44Å; F333-Y345 HydrophobicContact CD1-CD2 4.03Å; F333-Y345 PolarHBondContact N-O 2.84Å; F333-Y345 PolarHBondContact O-N 3.1Å; V335-Y345 HydrophobicContact CB-CE2 4.33Å; V335-Y345 HydrophobicContact CG2-CD2 4.06Å; V335-Y345 HydrophobicContact CG2-CE2 3.73Å; I343-Y345 HydrophobicContact CB-CD2 4.33Å; I343-Y345 HydrophobicContact CB-CE2 3.65Å; I343-Y345 HydrophobicContact CG2-CD2 3.94Å; I343-Y345 HydrophobicContact CG2-CE1 4.08Å; I343-Y345 HydrophobicContact CG2-CE2 3.35Å; I343-Y345 VanDerWaalsContact CG2-CZ 3.43Å; Y345-Y428 WeakPolarHBondContact CD1-O 3.2Å; Y345-Q429 CarbonylContact C-O 3.57Å; Y345-Q429 VanDerWaalsContact CA-O 3.27Å; Y345-Q429 WeakPolarHBondContact CA-O 3.25Å |
| 346 | R | 94.6 | Very high | 92.8 | Very high | 78 Ų | 78 | 34.2 Ų | 34.2 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.9 | 168.8 | -64.4 | -176.2 | -174.7 | -98.3 | 5.6 | 109.9 | L344 Q429 D431 | L344-R346 HydrophobicContact CD2-CG 4.12Å; R346-Q429 PolarHBondContact N-O 2.84Å; R346-Q429 PolarHBondContact O-N 3.19Å; R346-D431 HydrophobicContact CG-CB 4.26Å; R346-D431 IonicContact CZ-OD2 2.99Å; R346-D431 IonicContact NE-OD2 3.74Å; R346-D431 PolarHBondContact NE-OD2 2.82Å; R346-D431 IonicContact NH2-OD2 3.8Å; R346-D431 PolarHBondContact NH2-OD2 2.89Å |
| 347 | F | 94.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.6 | 177 | -176.5 | -86.3 | 0 | 0 | 0 | 112.1 | I233 L234 I237 R331 K349 G427 Y428 W741 | I233-F347 HydrophobicContact CD1-CE1 3.39Å; I233-F347 HydrophobicContact CD1-CZ 3.46Å; I233-F347 VanDerWaalsContact CD1-CZ 3.46Å; I233-F347 HydrophobicContact CG1-CE1 4.23Å; I233-F347 HydrophobicContact CG1-CZ 3.78Å; I233-F347 HydrophobicContact CG2-CZ 4.2Å; L234-F347 HydrophobicContact CD2-CE2 4.08Å; I237-F347 HydrophobicContact CD1-CE2 3.76Å; I237-F347 HydrophobicContact CD1-CZ 4.31Å; R331-F347 HydrophobicContact CB-CB 3.45Å; R331-F347 VanDerWaalsContact CB-CB 3.45Å; R331-F347 HydrophobicContact CB-CG 4.11Å; R331-F347 HydrophobicContact CG-CB 4.41Å; R331-F347 PolarHBondContact O-N 3.37Å; F347-K349 HydrophobicContact CE1-CG 3.98Å; F347-G427 WeakPolarHBondContact CA-O 3.45Å; F347-Y428 HydrophobicContact CB-CD1 4.32Å; F347-Y428 HydrophobicContact CB-CE1 4.07Å; F347-Y428 HydrophobicContact CD2-CD2 4.37Å; F347-Y428 HydrophobicContact CD2-CE1 4.42Å; F347-Y428 HydrophobicContact CD2-CE2 4.14Å; F347-W741 AromaticContact CD1-CE2 3.82Å; F347-W741 AromaticContact CD1-CZ2 3.85Å; F347-W741 HydrophobicContact CD1-CZ2 3.85Å; F347-W741 AromaticContact CD1-NE1 3.72Å; F347-W741 HydrophobicContact CE1-CZ2 4.12Å; F347-W741 PolarHBondContact O-NE1 3.1Å |
| 348 | S | 92.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.9 | 172 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | Y350 G427 | S348-Y350 VanDerWaalsContact C-N 3.29Å; S348-Y350 PolarHBondContact OG-N 3.29Å; S348-Y350 PolarHBondContact OG-O 3.14Å; S348-G427 PolarHBondContact N-O 3.45Å; S348-G427 PolarHBondContact O-N 3.5Å |
| 349 | K | 91.2 | Very high | 92.6 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -80.3 | -9.9 | 172.9 | -71.4 | -174.2 | -167.2 | 151.4 | 0 | 113.8 | I233 F347 P426 W741 D743 | I233-K349 HydrophobicContact CD1-CD 4.06Å; I233-K349 HydrophobicContact CD1-CG 3.81Å; F347-K349 HydrophobicContact CE1-CG 3.98Å; K349-P426 WeakPolarHBondContact O-CB 3.42Å; K349-P426 WeakPolarHBondContact O-CG 3.33Å; K349-W741 HydrophobicContact CD-CH2 4.25Å; K349-W741 HydrophobicContact CG-CH2 4.29Å; K349-D743 WeakPolarHBondContact CD-OD2 3.31Å; K349-D743 IonicContact NZ-OD2 3.6Å; K349-D743 PolarHBondContact NZ-OD2 3.44Å |
| 350 | Y | 89.6 | Confident | 92.7 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 37% | 0.373 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -119.4 | 150.3 | -168.8 | -56.1 | -89.3 | 0 | 0 | 0 | 110.7 | S348 Q429 D743 N745 | S348-Y350 VanDerWaalsContact C-N 3.29Å; S348-Y350 PolarHBondContact OG-N 3.29Å; S348-Y350 PolarHBondContact OG-O 3.14Å; Y350-Q429 PolarHBondContact O-NE2 2.85Å; Y350-D743 VanDerWaalsContact CE2-OD1 3.29Å; Y350-D743 WeakPolarHBondContact CE2-OD1 3.25Å; Y350-N745 HydrophobicContact CD2-CB 3.81Å; Y350-N745 WeakPolarHBondContact CD2-ND2 3.01Å; Y350-N745 HydrophobicContact CE2-CB 3.52Å; Y350-N745 HydrophobicContact CG-CB 4.48Å |
| 351 | D | 89.9 | Confident | 92.7 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | trans | -57.4 | 137.8 | 163.6 | -72.6 | -74.8 | 0 | 0 | 0 | 109.4 | R423 V424 P425 | D351-R423 IonicContact OD2-NH2 2.71Å; D351-V424 WeakPolarHBondContact CA-O 3.44Å; D351-P425 WeakPolarHBondContact OD1-CA 3.33Å | ||
| 352 | A | 88.6 | Confident | 92.3 | Very high | 30 Ų | 30 | 50 Ų | 50 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T354 R423 V424 | A352-T354 HydrophobicContact CB-CG2 4Å; A352-R423 CarbonylContact O-C 3.57Å; A352-R423 WeakPolarHBondContact O-CA 3.39Å; A352-V424 PolarHBondContact N-O 2.53Å; A352-V424 PolarHBondContact O-N 3.27Å |
| 353 | N | 88.6 | Confident | 91.5 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 101.6 | 165.6 | -69.4 | -24.1 | 0 | 0 | 0 | 107.6 | V422 R423 | N353-V422 WeakPolarHBondContact CA-O 3.47Å; N353-R423 WeakPolarHBondContact OD1-CA 3.48Å; N353-R423 WeakPolarHBondContact OD1-CB 3.46Å |
| 354 | T | 83.9 | Confident | 90 | Very high | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.1 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | A352 V422 V424 Q429 | A352-T354 HydrophobicContact CB-CG2 4Å; T354-V422 PolarHBondContact N-O 3.3Å; T354-V422 PolarHBondContact O-N 2.84Å; T354-V424 HydrophobicContact CG2-CG2 4.41Å; T354-V424 WeakPolarHBondContact OG1-CG2 3.19Å; T354-Q429 HydrophobicContact CG2-CB 4.29Å |
| 355 | Q | 88.8 | Confident | 87.8 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 126.3 | 162.4 | -174.2 | 178.5 | 18.4 | 0 | 0 | 108.3 | M421 | Q355-M421 HydrophobicContact CB-CG 4.32Š|
| 356 | I | 91.8 | Very high | 85.5 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 119 | -179.3 | -52.3 | 177.2 | 0 | 0 | 0 | 107.5 | V299 V417 S430 V433 | V299-I356 HydrophobicContact CB-CD1 4.45Å; V299-I356 HydrophobicContact CG1-CD1 4.04Å; V299-I356 HydrophobicContact CG1-CG2 4.24Å; I356-V417 HydrophobicContact CB-CG1 4.13Å; I356-V417 HydrophobicContact CG2-CG1 3.67Å; I356-S430 WeakPolarHBondContact CD1-OG 3.37Å; I356-V433 HydrophobicContact CG2-CG2 3.62Å |
| 357 | V | 93 | Very high | 82.9 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.7 | 174.9 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | D431 L432 V433 K475 | V357-D431 PolarHBondContact N-O 2.98Å; V357-L432 HydrophobicContact CB-CD1 4.25Å; V357-L432 HydrophobicContact CG1-CD1 4.12Å; V357-L432 CarbonylContact O-C 3.54Å; V357-L432 WeakPolarHBondContact O-CA 3.13Å; V357-V433 PolarHBondContact O-N 3.06Å; V357-K475 HydrophobicContact CB-CD 3.71Å; V357-K475 HydrophobicContact CG1-CB 4.29Å; V357-K475 HydrophobicContact CG1-CD 3.79Å; V357-K475 HydrophobicContact CG2-CD 3.57Å; V357-K475 VanDerWaalsContact CG2-NZ 3.33Å |
| 358 | S | 94.2 | Very high | 80.1 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.1 | 173.8 | -163.6 | 0 | 0 | 0 | 0 | 109.9 | V433 Q435 | S358-V433 CarbonylContact C-O 3.46Å; S358-V433 VanDerWaalsContact CA-O 3.32Å; S358-V433 WeakPolarHBondContact CA-O 3.26Å; S358-Q435 PolarHBondContact OG-OE1 2.82Å |
| 359 | L | 94.6 | Very high | 77.2 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.7 | 170.6 | -69.2 | 176.9 | 0 | 0 | 0 | 109.5 | L432 V433 I434 Q435 V470 K475 | L359-L432 HydrophobicContact CB-CD1 4.37Å; L359-L432 HydrophobicContact CD1-CD1 3.7Å; L359-L432 HydrophobicContact CD1-CD2 4.23Å; L359-L432 HydrophobicContact CG-CD1 3.72Å; L359-V433 PolarHBondContact N-O 3.42Å; L359-I434 HydrophobicContact CB-CG1 4.4Å; L359-I434 CarbonylContact O-C 3.37Å; L359-I434 VanDerWaalsContact O-CA 3.32Å; L359-I434 WeakPolarHBondContact O-CA 3.29Å; L359-Q435 PolarHBondContact O-N 3.25Å; L359-V470 HydrophobicContact CD1-CG1 3.87Å; L359-K475 HydrophobicContact CD1-CB 4.48Å; L359-K475 WeakPolarHBondContact CD1-O 3.48Å; L359-K475 VanDerWaalsContact CD2-O 3.32Å; L359-K475 WeakPolarHBondContact CD2-O 3.43Å |
| 360 | E | 92.8 | Very high | 74.3 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.3 | 177.2 | -63.5 | -178.5 | 172.8 | 0 | 0 | 109.5 | Q435 L437 | E360-Q435 WeakPolarHBondContact CA-O 3.46Å; E360-L437 HydrophobicContact CB-CD1 3.84Å; E360-L437 HydrophobicContact CB-CD2 3.97Å; E360-L437 HydrophobicContact CB-CG 3.95Å; E360-L437 HydrophobicContact CG-CD2 3.96Å |
| 361 | V | 91.3 | Very high | 71.7 | Confident | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.03 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.4 | -176.1 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | L363 I434 Q435 L436 L437 F461 A468 V477 | V361-L363 HydrophobicContact CG1-CG 4.44Å; V361-I434 HydrophobicContact CB-CG2 4.45Å; V361-I434 HydrophobicContact CG2-CG2 3.64Å; V361-Q435 PolarHBondContact N-O 3.09Å; V361-L436 HydrophobicContact CB-CD2 4Å; V361-L436 HydrophobicContact CG1-CD2 4.05Å; V361-L436 WeakPolarHBondContact O-CA 3.27Å; V361-L436 WeakPolarHBondContact O-CD2 3.44Å; V361-L437 PolarHBondContact O-N 3.4Å; V361-L437 VanDerWaalsContact O-N 3.15Å; V361-F461 HydrophobicContact CB-CZ 4.23Å; V361-F461 HydrophobicContact CG1-CZ 4.05Å; V361-F461 HydrophobicContact CG2-CZ 4.21Å; V361-A468 HydrophobicContact CG1-CB 4.13Å; V361-V477 HydrophobicContact CG2-CG2 3.8Å |
| 362 | R | 87.4 | Confident | 68.7 | Low | 134 Ų | 134 | 85.8 Ų | 85.8 | 51% | 0.506 | 45% | 0.449 | S | S | . | . | trans | -112 | 111 | 174.7 | -62 | -174.2 | -173.8 | -170.1 | 0.4 | 109.5 | S411 L437 C480 | R362-S411 PolarHBondContact NH2-OG 3.13Å; R362-L437 HydrophobicContact CG-CB 4.22Å; R362-L437 HydrophobicContact CG-CD1 3.77Å; R362-L437 HydrophobicContact CG-CG 4.41Å; R362-C480 PolarHBondContact O-SG 2.74Å | ||
| 363 | L | 80.3 | Confident | 66.1 | Low | 9 Ų | 9 | 90 Ų | 90 | 5% | 0.047 | 47% | 0.474 | C | S | . | . | trans | -95.9 | 83.4 | 171.1 | -70.5 | 169.6 | 0 | 0 | 0 | 108.2 | V361 L436 F461 N465 A468 C480 | V361-L363 HydrophobicContact CG1-CG 4.44Å; L363-L436 HydrophobicContact CB-CD2 4.47Å; L363-L436 HydrophobicContact CD1-CD1 4.06Å; L363-L436 HydrophobicContact CD1-CD2 3.65Å; L363-L436 HydrophobicContact CG-CD2 3.89Å; L363-F461 HydrophobicContact CD1-CE2 4.14Å; L363-N465 HydrophobicContact CB-CB 4.06Å; L363-N465 WeakPolarHBondContact O-CB 3.5Å; L363-N465 PolarHBondContact O-ND2 2.83Å; L363-A468 HydrophobicContact CD2-CB 4.24Å; L363-C480 VanDerWaalsContact CD2-SG 3.56Å | ||
| 364 | Q | 67.7 | Low | 63.4 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | trans | -125.1 | 155.3 | 174.7 | -95.9 | -162.6 | -24.3 | 0 | 0 | 111.6 | V439 D440 | Q364-V439 HydrophobicContact CG-CB 4.04Å; Q364-V439 HydrophobicContact CG-CG1 4.03Å; Q364-V439 HydrophobicContact CG-CG2 4.09Å; Q364-D440 PolarHBondContact NE2-OD2 3.06Å | ||
| 365 | C | 50.9 | Low | 61.1 | Low | 47 Ų | 47 | 97.3 Ų | 97.3 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | trans | -94.5 | 116.9 | 164.3 | -152.9 | 0 | 0 | 0 | 0 | 107.1 | P367 S482 L484 | C365-P367 WeakPolarHBondContact O-CD 3.34Å; C365-S482 WeakPolarHBondContact CB-OG 3.25Å; C365-S482 PolarHBondContact SG-OG 3.17Å; C365-L484 HydrophobicContact CB-CD1 4.19Å; C365-L484 WeakPolarHBondContact SG-CD1 3.13Å | ||
| 366 | E | 47.8 | Very low | 58.4 | Low | 161 Ų | 161 | 99.5 Ų | 99.5 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | trans | -67 | 120.5 | 167.1 | -71.9 | -93.2 | 147.7 | 0 | 0 | 107.1 | E368 | E366-E368 PolarHBondContact O-N 2.99Å; E366-E368 VanDerWaalsContact O-N 3.1Å | ||
| 367 | P | 41.3 | Very low | 55.8 | Low | 113 Ų | 113 | 107.5 Ų | 107.5 | 73% | 0.734 | 57% | 0.568 | S | S | * | * | trans | -68.6 | 107.6 | 165.8 | 27.7 | -28.2 | 0 | 0 | 0 | 106.7 | C365 D369 | C365-P367 WeakPolarHBondContact O-CD 3.34Å; P367-D369 PolarHBondContact O-N 2.86Å | ||
| 368 | E | 34.9 | Very low | 52.8 | Low | 179 Ų | 179 | 112 Ų | 112 | 84% | 0.836 | 59% | 0.591 | S | S | * | * | trans | -48.5 | 130.5 | 174.4 | -75 | -172.7 | 153 | 0 | 0 | 110 | E366 I370 | E366-E368 PolarHBondContact O-N 2.99Å; E366-E368 VanDerWaalsContact O-N 3.1Å; E368-I370 PolarHBondContact O-N 2.85Å | ||
| 369 | D | 32.1 | Very low | 49.6 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | trans | -53.4 | 100.8 | 173.5 | -81.6 | -43 | 0 | 0 | 0 | 109.4 | P367 I371 | P367-D369 PolarHBondContact O-N 2.86Å; D369-I371 PolarHBondContact O-N 3.06Å | ||
| 370 | I | 31 | Very low | 47.1 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | trans | -61 | 107.6 | 170.7 | -62.2 | 172.8 | 0 | 0 | 0 | 106.5 | E368 T372 P500 | E368-I370 PolarHBondContact O-N 2.85Å; I370-T372 PolarHBondContact O-N 3.07Å; I370-P500 HydrophobicContact CD1-CG 4.11Å | ||
| 371 | I | 35.2 | Very low | 43.9 | Very low | 155 Ų | 155 | 122 Ų | 122 | 80% | 0.795 | 66% | 0.658 | S | S | * | * | trans | -53.3 | 100.7 | 168.1 | -58.7 | 170 | 0 | 0 | 0 | 107.3 | D369 | D369-I371 PolarHBondContact O-N 3.06Š| ||
| 372 | T | 27.1 | Very low | 40.9 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -63.7 | 126.4 | 162.1 | 27.2 | 0 | 0 | 0 | 0 | 107.8 | I370 S374 | I370-T372 PolarHBondContact O-N 3.07Å; T372-S374 PolarHBondContact O-N 3.3Å; T372-S374 VanDerWaalsContact O-N 3.1Å | ||
| 373 | P | 33.9 | Very low | 38 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | -68.8 | 113.2 | 174.5 | 28.4 | -30 | 0 | 0 | 0 | 107.5 | E375 | P373-E375 PolarHBondContact O-N 2.89Š| ||
| 374 | S | 31.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -79.5 | 106.2 | 172.2 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | T372 N376 | T372-S374 PolarHBondContact O-N 3.3Å; T372-S374 VanDerWaalsContact O-N 3.1Å; S374-N376 PolarHBondContact O-N 3.14Å | ||
| 375 | E | 35 | Very low | 34.1 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -68.5 | 107.9 | 157 | -68.8 | -172.1 | 155.2 | 0 | 0 | 108.7 | P373 | P373-E375 PolarHBondContact O-N 2.89Š| ||
| 376 | N | 33.3 | Very low | 33 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | 175.3 | 136.5 | 127.1 | -93.3 | -8.2 | 0 | 0 | 0 | 112 | S374 | S374-N376 PolarHBondContact O-N 3.14Š| |||
| 377 | E | 35.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 170 | -177 | -61.6 | -169.1 | 129.9 | 0 | 0 | 115.3 | ||||
| 378 | N | 29.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 95.1 | 89.5 | 157.7 | -67.9 | -21.4 | 0 | 0 | 0 | 118.9 | ||||
| 379 | N | 28.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -173.8 | 138.4 | 106.7 | -97.9 | -23.2 | 0 | 0 | 0 | 111.7 | |||||
| 380 | P | 42.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -96.8 | 134.9 | 176.4 | 35.1 | -27.4 | 0 | 0 | 0 | 111.4 | ||||
| 381 | C | 24.6 | Very low | 31 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 104.4 | 152.8 | -146.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | F | 28.5 | Very low | 31 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 21.7 | 138.2 | 138 | -76.6 | -88.8 | 0 | 0 | 0 | 124.7 | ||||
| 383 | S | 25.9 | Very low | 31 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 142.4 | 136.3 | 60.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 384 | E | 28.8 | Very low | 31 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | cis | -168 | 176.1 | -1.1 | -118.5 | -151.5 | 159.9 | 0 | 0 | 108.2 | ||||
| 385 | P | 38.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -90.5 | 151.4 | -166.1 | 36.8 | -33.9 | 0 | 0 | 0 | 114 | ||||
| 386 | G | 26.8 | Very low | 30.3 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -157.5 | 122.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 387 | S | 28.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 146.6 Ų | 146.6 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | trans | -58.6 | 152.9 | 178.7 | 42.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 388 | H | 29.8 | Very low | 29.8 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | 166.5 | 145.1 | 112.3 | -78.9 | -62.1 | 0 | 0 | 0 | 112.2 | |||||
| 389 | S | 28.9 | Very low | 29.8 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -50.2 | 152.6 | -175.5 | 41 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 390 | P | 29.6 | Very low | 30 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 136.2 | 174.7 | 35.3 | -28.4 | 0 | 0 | 0 | 112.1 | ||||
| 391 | Q | 28.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -142.2 | 154.3 | 152.2 | -96.5 | -155.9 | -21.7 | 0 | 0 | 110.6 | ||||
| 392 | P | 34.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -102.4 | 136.8 | -142.6 | 36.1 | -29.4 | 0 | 0 | 0 | 112.1 | ||||
| 393 | H | 27 | Very low | 29.9 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -136.1 | 122.5 | 159.3 | -87.2 | -59.6 | 0 | 0 | 0 | 111 | ||||
| 394 | H | 33.9 | Very low | 30.1 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -43.9 | 128.9 | 169.3 | -69 | -81.7 | 0 | 0 | 0 | 112.9 | ||||
| 395 | Q | 26.1 | Very low | 30.4 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -157.4 | 118.4 | 148.7 | -109.3 | 163.2 | 48.9 | 0 | 0 | 109.7 | ||||
| 396 | Y | 27.3 | Very low | 30.2 | Very low | 219 Ų | 219 | 141.3 Ų | 141.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -52.5 | 137.3 | 165.9 | -68.7 | -94.3 | 0 | 0 | 0 | 110.8 | V398 | Y396-V398 PolarHBondContact O-N 3.06Š| ||
| 397 | P | 28.6 | Very low | 30.8 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -87.5 | 110.7 | 160.5 | -3.2 | 22.2 | 0 | 0 | 0 | 109.5 | ||||
| 398 | V | 28.3 | Very low | 31.4 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.9 | 158 | 171.5 | 0 | 0 | 0 | 0 | 109.3 | Y396 | Y396-V398 PolarHBondContact O-N 3.06Š|
| 399 | S | 30.1 | Very low | 32.1 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 142.3 | 178.2 | -40.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 400 | P | 33.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 122.2 | 151.7 | 12.7 | 6.1 | 0 | 0 | 0 | 109.7 | ||
| 401 | G | 28.2 | Very low | 34.7 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 157.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 402 | S | 39.4 | Very low | 36.7 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | 56.6 | 71.3 | 142.8 | 175.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 403 | R | 26 | Very low | 38.5 | Very low | 243 Ų | 243 | 125.5 Ų | 125.5 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | trans | -138.5 | 115 | 132.8 | -74.2 | -170.2 | 175.7 | 174.5 | -1.6 | 107.8 | P405 | R403-P405 VanDerWaalsContact O-CD 3.23Å; R403-P405 WeakPolarHBondContact O-CD 3.28Å | ||
| 404 | T | 29.2 | Very low | 41 | Very low | 138 Ų | 138 | 117.2 Ų | 117.2 | 85% | 0.847 | 66% | 0.657 | S | S | * | * | trans | -67.8 | 118.4 | 175.5 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 405 | P | 34.5 | Very low | 43.5 | Very low | 97 Ų | 97 | 109 Ų | 109 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | trans | -79.7 | 132.8 | 145.1 | 27.4 | -15.3 | 0 | 0 | 0 | 107.3 | R403 G407 A408 | R403-P405 VanDerWaalsContact O-CD 3.23Å; R403-P405 WeakPolarHBondContact O-CD 3.28Å; P405-G407 PolarHBondContact O-N 3Å; P405-A408 PolarHBondContact O-N 3.21Å | ||
| 406 | D | 34.5 | Very low | 46.6 | Very low | 155 Ų | 155 | 106.1 Ų | 106.1 | 83% | 0.829 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -1.6 | -176.5 | -132.6 | -4.4 | 0 | 0 | 0 | 114.3 | ||
| 407 | G | 38.8 | Very low | 49.7 | Very low | 51 Ų | 51 | 96.5 Ų | 96.5 | 53% | 0.526 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P405 R409 | P405-G407 PolarHBondContact O-N 3Å; G407-R409 VanDerWaalsContact C-N 3.26Å; G407-R409 PolarHBondContact O-N 3.04Å |
| 408 | A | 41.8 | Very low | 52.7 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P405 D410 | P405-A408 PolarHBondContact O-N 3.21Å; A408-D410 VanDerWaalsContact C-N 3.31Å |
| 409 | R | 45.4 | Very low | 55.3 | Low | 202 Ų | 202 | 93.1 Ų | 93.1 | 76% | 0.762 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.5 | 178.7 | -78.2 | -169.2 | 175.2 | -171.7 | 1.2 | 114.3 | G407 | G407-R409 VanDerWaalsContact C-N 3.26Å; G407-R409 PolarHBondContact O-N 3.04Å |
| 410 | D | 52.8 | Low | 57.9 | Low | 51 Ų | 51 | 96.2 Ų | 96.2 | 27% | 0.273 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -108.1 | 5.1 | -168.9 | -70.6 | -38.1 | 0 | 0 | 0 | 115.9 | R309 A408 W438 | R309-D410 IonicContact CZ-OD1 2.76Å; R309-D410 IonicContact NH1-OD1 3.55Å; R309-D410 IonicContact NH2-OD1 2.7Å; R309-D410 PolarHBondContact NH2-OD1 3Å; R309-D410 VanDerWaalsContact NH2-OD1 3.08Å; A408-D410 VanDerWaalsContact C-N 3.31Å; D410-W438 CarbonylContact O-C 3.58Å; D410-W438 WeakPolarHBondContact O-CB 2.83Å |
| 411 | S | 59.8 | Low | 60.3 | Low | 28 Ų | 28 | 96.6 Ų | 96.6 | 20% | 0.196 | 53% | 0.527 | C | S | . | . | trans | -114.9 | 61.3 | -179.9 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | R362 W438 | R362-S411 PolarHBondContact NH2-OG 3.13Å; S411-W438 WeakPolarHBondContact CA-O 3.01Å | ||
| 412 | I | 69.6 | Low | 63 | Low | 98 Ų | 98 | 95 Ų | 95 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | trans | -111.7 | 133.6 | 179.3 | -55.8 | 176.7 | 0 | 0 | 0 | 109 | ||||
| 413 | P | 72.8 | Confident | 65.3 | Low | 24 Ų | 24 | 97.8 Ų | 97.8 | 16% | 0.156 | 50% | 0.495 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 152.7 | 174.6 | 27.1 | -33.7 | 0 | 0 | 0 | 111.9 | L415 Q435 L437 | P413-L415 VanDerWaalsContact C-N 3.25Å; P413-L415 PolarHBondContact O-N 2.81Å; P413-Q435 HydrophobicContact CB-CB 3.98Å; P413-Q435 HydrophobicContact CB-CG 4.47Å; P413-L437 HydrophobicContact CB-CD2 4.02Å; P413-L437 HydrophobicContact CG-CD2 4.3Å |
| 414 | C | 79.4 | Confident | 68.3 | Low | 15 Ų | 15 | 87.3 Ų | 87.3 | 10% | 0.101 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -60.2 | -34.4 | -179.1 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | W438 | C414-W438 PolarHBondContact SG-NE1 3.49Š|
| 415 | L | 87.9 | Confident | 71.2 | Confident | 10 Ų | 10 | 83.8 Ų | 83.8 | 5% | 0.052 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -125.1 | 146.7 | -176.8 | -68.1 | 173.7 | 0 | 0 | 0 | 109.8 | F300 P318 F319 P413 Q435 | F300-L415 HydrophobicContact CD1-CB 3.63Å; F300-L415 HydrophobicContact CD1-CD1 4.24Å; F300-L415 HydrophobicContact CD2-CD1 4.15Å; F300-L415 HydrophobicContact CE1-CB 3.8Å; F300-L415 HydrophobicContact CE1-CD1 4.06Å; F300-L415 HydrophobicContact CE2-CD1 3.96Å; F300-L415 HydrophobicContact CG-CB 4.2Å; F300-L415 HydrophobicContact CG-CD1 4.27Å; F300-L415 HydrophobicContact CZ-CB 4.49Å; F300-L415 HydrophobicContact CZ-CD1 3.92Å; P318-L415 HydrophobicContact CB-CD2 4.03Å; P318-L415 HydrophobicContact CG-CD2 4.28Å; F319-L415 HydrophobicContact CD1-CD1 3.82Å; F319-L415 HydrophobicContact CD1-CD2 4.49Å; F319-L415 HydrophobicContact CE1-CD1 3.73Å; F319-L415 HydrophobicContact CE1-CD2 3.75Å; F319-L415 HydrophobicContact CE1-CG 4.35Å; F319-L415 HydrophobicContact CZ-CD2 4.13Å; P413-L415 VanDerWaalsContact C-N 3.25Å; P413-L415 PolarHBondContact O-N 2.81Å; L415-Q435 PolarHBondContact O-NE2 3.34Å |
| 416 | K | 90.6 | Very high | 74 | Confident | 129 Ų | 129 | 80 Ų | 80 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -98.3 | 119.7 | 177.3 | -171.1 | 166.1 | 173.1 | -131.1 | 0 | 110.9 | F300 E301 | F300-K416 CarbonylContact C-O 3.56Å; F300-K416 VanDerWaalsContact CA-O 3.31Å; F300-K416 WeakPolarHBondContact CA-O 3.37Å; F300-K416 WeakPolarHBondContact CB-O 3.4Å; E301-K416 HydrophobicContact CB-CB 4.44Å; E301-K416 HydrophobicContact CG-CG 4.29Å; E301-K416 PolarHBondContact N-O 2.94Å; E301-K416 WeakPolarHBondContact OE1-CE 3.27Å; E301-K416 IonicContact OE1-NZ 3.73Å; E301-K416 PolarHBondContact OE1-NZ 2.94Å; E301-K416 VanDerWaalsContact OE2-CD 3.25Å; E301-K416 WeakPolarHBondContact OE2-CD 3.43Å; E301-K416 WeakPolarHBondContact OE2-CE 3.27Å; E301-K416 IonicContact OE2-NZ 3.62Å; E301-K416 PolarHBondContact OE2-NZ 2.85Å |
| 417 | V | 92.5 | Very high | 76.8 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 144.6 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | F300 I356 D419 V433 | F300-V417 HydrophobicContact CD1-CG2 4.07Å; F300-V417 HydrophobicContact CE1-CG2 3.89Å; I356-V417 HydrophobicContact CB-CG1 4.13Å; I356-V417 HydrophobicContact CG2-CG1 3.67Å; V417-D419 PolarHBondContact O-N 2.99Å; V417-V433 HydrophobicContact CG1-CG2 4.21Å; V417-V433 HydrophobicContact CG2-CB 3.98Å; V417-V433 HydrophobicContact CG2-CG1 3.75Å; V417-V433 HydrophobicContact CG2-CG2 4.18Å |
| 418 | K | 91.9 | Very high | 79.5 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 119.3 | 173.4 | -72 | 177.2 | 179.6 | 171.4 | 0 | 110.7 | K298 V299 F300 E301 V422 | K298-K418 WeakPolarHBondContact O-CE 3.25Å; K298-K418 PolarHBondContact O-NZ 2.81Å; V299-K418 WeakPolarHBondContact O-CG 3.1Å; V299-K418 PolarHBondContact O-N 3.27Å; F300-K418 WeakPolarHBondContact O-CE 3.49Å; E301-K418 HydrophobicContact CG-CG 4.28Å; K418-V422 HydrophobicContact CB-CG2 4.26Å; K418-V422 HydrophobicContact CD-CG2 3.86Å |
| 419 | D | 83.1 | Confident | 82 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 66% | 0.658 | 32% | 0.32 | S | S | * | . | trans | -83.2 | -18.1 | 178.9 | -171.8 | 22.4 | 0 | 0 | 0 | 113.3 | V417 | V417-D419 PolarHBondContact O-N 2.99Š| ||
| 420 | K | 83.9 | Confident | 84.3 | Confident | 173 Ų | 173 | 58 Ų | 58 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -85.4 | 148.6 | -178.6 | -62.1 | -176.8 | -178.4 | -178.9 | 0 | 111.6 | V422 | K420-V422 VanDerWaalsContact O-CG2 3.26Å; K420-V422 WeakPolarHBondContact O-CG2 3.29Å; K420-V422 PolarHBondContact O-N 3.03Å; K420-V422 VanDerWaalsContact O-N 3.17Å |
| 421 | M | 84.7 | Confident | 86.2 | Confident | 136 Ų | 136 | 57 Ų | 57 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | trans | -52.6 | 121.6 | 166.8 | -79.2 | 146.3 | -90.2 | 0 | 0 | 110.2 | Q355 | Q355-M421 HydrophobicContact CB-CG 4.32Š| ||
| 422 | V | 84.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.7 | 179.3 | -173 | 0 | 0 | 0 | 0 | 108.1 | N353 T354 K418 K420 V424 | N353-V422 WeakPolarHBondContact CA-O 3.47Å; T354-V422 PolarHBondContact N-O 3.3Å; T354-V422 PolarHBondContact O-N 2.84Å; K418-V422 HydrophobicContact CB-CG2 4.26Å; K418-V422 HydrophobicContact CD-CG2 3.86Å; K420-V422 VanDerWaalsContact O-CG2 3.26Å; K420-V422 WeakPolarHBondContact O-CG2 3.29Å; K420-V422 PolarHBondContact O-N 3.03Å; K420-V422 VanDerWaalsContact O-N 3.17Å; V422-V424 HydrophobicContact CB-CG2 4.34Å; V422-V424 HydrophobicContact CG1-CG2 4.29Å; V422-V424 WeakPolarHBondContact O-CG2 3.45Å; V422-V424 PolarHBondContact O-N 3.14Å |
| 423 | R | 88.1 | Confident | 89.3 | Confident | 180 Ų | 180 | 51.1 Ų | 51.1 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 117.7 | 166.8 | -175.8 | 177.6 | 174.2 | 177.8 | 0.8 | 108.7 | D351 A352 N353 | D351-R423 IonicContact OD2-NH2 2.71Å; A352-R423 CarbonylContact O-C 3.57Å; A352-R423 WeakPolarHBondContact O-CA 3.39Å; N353-R423 WeakPolarHBondContact OD1-CA 3.48Å; N353-R423 WeakPolarHBondContact OD1-CB 3.46Å |
| 424 | V | 88.2 | Confident | 90.4 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.3 | -178.8 | -163.6 | 0 | 0 | 0 | 0 | 109 | D351 A352 T354 V422 Q429 | D351-V424 WeakPolarHBondContact CA-O 3.44Å; A352-V424 PolarHBondContact N-O 2.53Å; A352-V424 PolarHBondContact O-N 3.27Å; T354-V424 HydrophobicContact CG2-CG2 4.41Å; T354-V424 WeakPolarHBondContact OG1-CG2 3.19Å; V422-V424 HydrophobicContact CB-CG2 4.34Å; V422-V424 HydrophobicContact CG1-CG2 4.29Å; V422-V424 WeakPolarHBondContact O-CG2 3.45Å; V422-V424 PolarHBondContact O-N 3.14Å; V424-Q429 HydrophobicContact CB-CB 4.48Å; V424-Q429 HydrophobicContact CB-CG 4.06Å; V424-Q429 HydrophobicContact CG1-CB 4.18Å; V424-Q429 HydrophobicContact CG1-CG 3.76Å; V424-Q429 PolarHBondContact O-NE2 2.94Å |
| 425 | P | 90.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | trans | -66.6 | 169.8 | 176.7 | 28.9 | -35.7 | 0 | 0 | 0 | 112.4 | D351 Q429 | D351-P425 WeakPolarHBondContact OD1-CA 3.33Å; P425-Q429 PolarHBondContact O-NE2 3.16Å | ||
| 426 | P | 92.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -50.9 | 146.9 | 168.2 | -27.9 | 35.8 | 0 | 0 | 0 | 112.9 | I237 K349 | I237-P426 HydrophobicContact CG2-CB 3.89Å; K349-P426 WeakPolarHBondContact O-CB 3.42Å; K349-P426 WeakPolarHBondContact O-CG 3.33Å |
| 427 | G | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.7 | -146.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I237 F347 S348 Q429 | I237-G427 VanDerWaalsContact CD1-CA 3.44Å; F347-G427 WeakPolarHBondContact CA-O 3.45Å; S348-G427 PolarHBondContact N-O 3.45Å; S348-G427 PolarHBondContact O-N 3.5Å; G427-Q429 PolarHBondContact O-N 3.43Å |
| 428 | Y | 95.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 111.4 | 180 | -75.2 | -78.1 | 0 | 0 | 0 | 110.7 | L234 F280 Y292 W326 R331 F333 Y345 F347 | L234-Y428 HydrophobicContact CD2-CE2 4.03Å; F280-Y428 AromaticContact CE1-CE2 3.91Å; F280-Y428 HydrophobicContact CE1-CE2 3.91Å; F280-Y428 HydrophobicContact CE2-CD2 4.34Å; F280-Y428 HydrophobicContact CE2-CE2 4.2Å; F280-Y428 HydrophobicContact CZ-CD2 4.1Å; F280-Y428 AromaticContact CZ-CE2 3.61Å; F280-Y428 HydrophobicContact CZ-CE2 3.61Å; Y292-Y428 HydrophobicContact CD1-CD2 4.1Å; Y292-Y428 AromaticContact CE1-CD2 3.63Å; Y292-Y428 HydrophobicContact CE1-CD2 3.63Å; Y292-Y428 HydrophobicContact CE1-CG 4.48Å; Y292-Y428 PolarHBondContact OH-N 3.33Å; W326-Y428 AromaticContact NE1-CZ 3.68Å; W326-Y428 PolarHBondContact NE1-OH 2.65Å; R331-Y428 VanDerWaalsContact O-CE1 3.31Å; R331-Y428 WeakPolarHBondContact O-CE1 3.49Å; F333-Y428 HydrophobicContact CB-CD1 3.63Å; F333-Y428 HydrophobicContact CB-CE1 3.53Å; F333-Y428 HydrophobicContact CB-CG 4.48Å; F333-Y428 HydrophobicContact CD1-CD1 4.49Å; F333-Y428 HydrophobicContact CG-CD1 4.43Å; F333-Y428 HydrophobicContact CG-CE1 4.41Å; Y345-Y428 WeakPolarHBondContact CD1-O 3.2Å; F347-Y428 HydrophobicContact CB-CD1 4.32Å; F347-Y428 HydrophobicContact CB-CE1 4.07Å; F347-Y428 HydrophobicContact CD2-CD2 4.37Å; F347-Y428 HydrophobicContact CD2-CE1 4.42Å; F347-Y428 HydrophobicContact CD2-CE2 4.14Å |
| 429 | Q | 94.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.5 | -177.3 | -58.1 | 179 | -15 | 0 | 0 | 109.9 | Y345 R346 Y350 T354 V424 P425 G427 D431 | Y345-Q429 CarbonylContact C-O 3.57Å; Y345-Q429 VanDerWaalsContact CA-O 3.27Å; Y345-Q429 WeakPolarHBondContact CA-O 3.25Å; R346-Q429 PolarHBondContact N-O 2.84Å; R346-Q429 PolarHBondContact O-N 3.19Å; Y350-Q429 PolarHBondContact O-NE2 2.85Å; T354-Q429 HydrophobicContact CG2-CB 4.29Å; V424-Q429 HydrophobicContact CB-CB 4.48Å; V424-Q429 HydrophobicContact CB-CG 4.06Å; V424-Q429 HydrophobicContact CG1-CB 4.18Å; V424-Q429 HydrophobicContact CG1-CG 3.76Å; V424-Q429 PolarHBondContact O-NE2 2.94Å; P425-Q429 PolarHBondContact O-NE2 3.16Å; G427-Q429 PolarHBondContact O-N 3.43Å; Q429-D431 PolarHBondContact O-N 3.49Å |
| 430 | S | 94.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123.5 | -177 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | I356 | I356-S430 WeakPolarHBondContact CD1-OG 3.37Å |
| 431 | D | 92.4 | Very high | 88.5 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -38 | -178.2 | 179.3 | 32.5 | 0 | 0 | 0 | 112.3 | L344 R346 V357 Q429 K475 | L344-D431 HydrophobicContact CD2-CB 4.18Å; L344-D431 PolarHBondContact O-N 3.49Å; R346-D431 HydrophobicContact CG-CB 4.26Å; R346-D431 IonicContact CZ-OD2 2.99Å; R346-D431 IonicContact NE-OD2 3.74Å; R346-D431 PolarHBondContact NE-OD2 2.82Å; R346-D431 IonicContact NH2-OD2 3.8Å; R346-D431 PolarHBondContact NH2-OD2 2.89Å; V357-D431 PolarHBondContact N-O 2.98Å; Q429-D431 PolarHBondContact O-N 3.49Å; D431-K475 PolarHBondContact O-NZ 3.4Å; D431-K475 IonicContact OD1-NZ 2.7Å; D431-K475 PolarHBondContact OD1-NZ 3.11Å |
| 432 | L | 96.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 137.5 | -176.6 | 173.5 | 65.8 | 0 | 0 | 0 | 110.5 | L344 V357 L359 I434 V470 | L344-L432 HydrophobicContact CB-CB 4.25Å; L344-L432 PolarHBondContact N-O 2.67Å; L344-L432 PolarHBondContact O-N 3.15Å; V357-L432 HydrophobicContact CB-CD1 4.25Å; V357-L432 HydrophobicContact CG1-CD1 4.12Å; V357-L432 CarbonylContact O-C 3.54Å; V357-L432 WeakPolarHBondContact O-CA 3.13Å; L359-L432 HydrophobicContact CB-CD1 4.37Å; L359-L432 HydrophobicContact CD1-CD1 3.7Å; L359-L432 HydrophobicContact CD1-CD2 4.23Å; L359-L432 HydrophobicContact CG-CD1 3.72Å; L432-I434 HydrophobicContact CD2-CD1 4.23Å; L432-I434 HydrophobicContact CD2-CG1 4.15Å; L432-I434 HydrophobicContact CG-CG1 4.16Å; L432-V470 HydrophobicContact CD2-CG1 4.27Å |
| 433 | V | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.4 | 167.5 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | V299 F300 I342 I343 I356 V357 S358 L359 V417 Q435 | V299-V433 HydrophobicContact CG1-CG2 3.43Å; V299-V433 VanDerWaalsContact CG1-CG2 3.43Å; F300-V433 HydrophobicContact CE1-CG1 4.27Å; F300-V433 HydrophobicContact CZ-CG1 4.48Å; I342-V433 CarbonylContact O-C 3.59Å; I342-V433 VanDerWaalsContact O-CA 3.28Å; I342-V433 WeakPolarHBondContact O-CA 3.47Å; I343-V433 HydrophobicContact CG2-CG2 4.3Å; I356-V433 HydrophobicContact CG2-CG2 3.62Å; V357-V433 PolarHBondContact O-N 3.06Å; S358-V433 CarbonylContact C-O 3.46Å; S358-V433 VanDerWaalsContact CA-O 3.32Å; S358-V433 WeakPolarHBondContact CA-O 3.26Å; L359-V433 PolarHBondContact N-O 3.42Å; V417-V433 HydrophobicContact CG1-CG2 4.21Å; V417-V433 HydrophobicContact CG2-CB 3.98Å; V417-V433 HydrophobicContact CG2-CG1 3.75Å; V417-V433 HydrophobicContact CG2-CG2 4.18Å; V433-Q435 HydrophobicContact CG1-CG 3.7Å |
| 434 | I | 97.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.5 | 172.3 | -56.5 | 159 | 0 | 0 | 0 | 107.1 | H341 I342 L359 V361 L432 L459 F461 V470 | H341-I434 CarbonylContact C-O 3.58Å; H341-I434 VanDerWaalsContact CA-O 3.26Å; H341-I434 WeakPolarHBondContact CA-O 3.27Å; I342-I434 HydrophobicContact CB-CB 4.23Å; I342-I434 PolarHBondContact N-O 2.96Å; I342-I434 PolarHBondContact O-N 3.18Å; L359-I434 HydrophobicContact CB-CG1 4.4Å; L359-I434 CarbonylContact O-C 3.37Å; L359-I434 VanDerWaalsContact O-CA 3.32Å; L359-I434 WeakPolarHBondContact O-CA 3.29Å; V361-I434 HydrophobicContact CB-CG2 4.45Å; V361-I434 HydrophobicContact CG2-CG2 3.64Å; L432-I434 HydrophobicContact CD2-CD1 4.23Å; L432-I434 HydrophobicContact CD2-CG1 4.15Å; L432-I434 HydrophobicContact CG-CG1 4.16Å; I434-L459 HydrophobicContact CD1-CD2 3.73Å; I434-F461 HydrophobicContact CD1-CE1 4.46Å; I434-F461 HydrophobicContact CG2-CE1 3.86Å; I434-F461 HydrophobicContact CG2-CZ 3.77Å; I434-V470 HydrophobicContact CD1-CB 4.13Å; I434-V470 HydrophobicContact CD1-CG1 3.97Å; I434-V470 HydrophobicContact CD1-CG2 3.98Å |
| 435 | Q | 93.8 | Very high | 87.6 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.6 | -177.2 | -54.2 | -166 | -83.7 | 0 | 0 | 110.3 | H341 S358 L359 E360 V361 P413 L415 V433 | H341-Q435 HydrophobicContact CB-CG 4.44Å; S358-Q435 PolarHBondContact OG-OE1 2.82Å; L359-Q435 PolarHBondContact O-N 3.25Å; E360-Q435 WeakPolarHBondContact CA-O 3.46Å; V361-Q435 PolarHBondContact N-O 3.09Å; P413-Q435 HydrophobicContact CB-CB 3.98Å; P413-Q435 HydrophobicContact CB-CG 4.47Å; L415-Q435 PolarHBondContact O-NE2 3.34Å; V433-Q435 HydrophobicContact CG1-CG 3.7Å |
| 436 | L | 91.3 | Very high | 87.6 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.4 | 166.6 | -71.8 | 176.8 | 0 | 0 | 0 | 109.9 | A340 V361 L363 P444 I447 F461 | A340-L436 HydrophobicContact CB-CB 4.06Å; A340-L436 HydrophobicContact CB-CD1 4.16Å; A340-L436 PolarHBondContact O-N 3.08Å; A340-L436 VanDerWaalsContact O-N 3.1Å; V361-L436 HydrophobicContact CB-CD2 4Å; V361-L436 HydrophobicContact CG1-CD2 4.05Å; V361-L436 WeakPolarHBondContact O-CA 3.27Å; V361-L436 WeakPolarHBondContact O-CD2 3.44Å; L363-L436 HydrophobicContact CB-CD2 4.47Å; L363-L436 HydrophobicContact CD1-CD1 4.06Å; L363-L436 HydrophobicContact CD1-CD2 3.65Å; L363-L436 HydrophobicContact CG-CD2 3.89Å; L436-P444 HydrophobicContact CB-CB 3.51Å; L436-P444 HydrophobicContact CB-CG 4.38Å; L436-I447 HydrophobicContact CD1-CD1 4.4Å; L436-I447 HydrophobicContact CD1-CG1 3.95Å; L436-F461 HydrophobicContact CD1-CE2 4.26Å; L436-F461 HydrophobicContact CD2-CE2 3.91Å; L436-F461 HydrophobicContact CD2-CZ 4.41Å; L436-F461 HydrophobicContact CG-CE2 4.15Å |
| 437 | L | 86.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 152 | -178.5 | -65 | -179.5 | 0 | 0 | 0 | 111.9 | E360 V361 R362 P413 | E360-L437 HydrophobicContact CB-CD1 3.84Å; E360-L437 HydrophobicContact CB-CD2 3.97Å; E360-L437 HydrophobicContact CB-CG 3.95Å; E360-L437 HydrophobicContact CG-CD2 3.96Å; V361-L437 PolarHBondContact O-N 3.4Å; V361-L437 VanDerWaalsContact O-N 3.15Å; R362-L437 HydrophobicContact CG-CB 4.22Å; R362-L437 HydrophobicContact CG-CD1 3.77Å; R362-L437 HydrophobicContact CG-CG 4.41Å; P413-L437 HydrophobicContact CB-CD2 4.02Å; P413-L437 HydrophobicContact CG-CD2 4.3Å |
| 438 | W | 79.4 | Confident | 87.8 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 142.4 | 160.1 | -73.6 | 59.9 | 0 | 0 | 0 | 109.1 | R309 L313 D410 S411 C414 G441 E442 P443 P444 | R309-W438 HydrophobicContact CB-CH2 4.49Å; R309-W438 HydrophobicContact CB-CZ2 4.13Å; L313-W438 HydrophobicContact CD1-CZ2 4.31Å; D410-W438 CarbonylContact O-C 3.58Å; D410-W438 WeakPolarHBondContact O-CB 2.83Å; S411-W438 WeakPolarHBondContact CA-O 3.01Å; C414-W438 PolarHBondContact SG-NE1 3.49Å; W438-G441 WeakPolarHBondContact CZ3-O 3.45Å; W438-E442 WeakPolarHBondContact CA-O 3.35Å; W438-P443 HydrophobicContact CD2-CB 4.3Å; W438-P443 HydrophobicContact CE3-CB 4.4Å; W438-P443 HydrophobicContact CH2-CB 3.92Å; W438-P443 HydrophobicContact CH2-CG 4.48Å; W438-P443 HydrophobicContact CZ2-CB 3.77Å; W438-P443 HydrophobicContact CZ3-CB 4.22Å; W438-P444 VanDerWaalsContact CD1-CD 3.48Å |
| 439 | V | 74 | Confident | 87.9 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 13% | 0.127 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 132.3 | 175.4 | -147.1 | 0 | 0 | 0 | 0 | 109.9 | Q364 G441 E442 | Q364-V439 HydrophobicContact CG-CB 4.04Å; Q364-V439 HydrophobicContact CG-CG1 4.03Å; Q364-V439 HydrophobicContact CG-CG2 4.09Å; V439-G441 PolarHBondContact O-N 3.44Å; V439-E442 PolarHBondContact N-O 3.39Å; V439-E442 PolarHBondContact O-N 3.05Å |
| 440 | D | 74.8 | Confident | 88.1 | Confident | 127 Ų | 127 | 32.1 Ų | 32.1 | 68% | 0.679 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 33.6 | -176.3 | -54.2 | -41.4 | 0 | 0 | 0 | 114.7 | Q364 E442 | Q364-D440 PolarHBondContact NE2-OD2 3.06Å; D440-E442 VanDerWaalsContact C-N 3.25Å; D440-E442 PolarHBondContact O-N 2.9Å |
| 441 | G | 69.1 | Low | 88.2 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 33% | 0.33 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -0.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | W438 V439 | W438-G441 WeakPolarHBondContact CZ3-O 3.45Å; V439-G441 PolarHBondContact O-N 3.44Å |
| 442 | E | 75.4 | Confident | 88.4 | Confident | 129 Ų | 129 | 32.4 Ų | 32.4 | 60% | 0.603 | 18% | 0.177 | S | C | * | . | B | Isolated β-bridge | trans | -94.2 | 139.8 | 175.7 | -68.6 | -66 | 145.9 | 0 | 0 | 111.5 | W438 V439 D440 | W438-E442 WeakPolarHBondContact CA-O 3.35Å; V439-E442 PolarHBondContact N-O 3.39Å; V439-E442 PolarHBondContact O-N 3.05Å; D440-E442 VanDerWaalsContact C-N 3.25Å; D440-E442 PolarHBondContact O-N 2.9Å |
| 443 | P | 78.9 | Confident | 88.3 | Confident | 46 Ų | 46 | 32.5 Ų | 32.5 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 150.3 | 177 | 27.8 | -33.9 | 0 | 0 | 0 | 111.7 | W438 Q445 | W438-P443 HydrophobicContact CD2-CB 4.3Å; W438-P443 HydrophobicContact CE3-CB 4.4Å; W438-P443 HydrophobicContact CH2-CB 3.92Å; W438-P443 HydrophobicContact CH2-CG 4.48Å; W438-P443 HydrophobicContact CZ2-CB 3.77Å; W438-P443 HydrophobicContact CZ3-CB 4.22Å; P443-Q445 PolarHBondContact O-N 3.24Å |
| 444 | P | 84 | Confident | 88.1 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 14% | 0.143 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 137 | 175.2 | 26.2 | -34.9 | 0 | 0 | 0 | 110.9 | A340 L436 W438 | A340-P444 HydrophobicContact CB-CB 3.77Å; A340-P444 HydrophobicContact CB-CG 3.81Å; L436-P444 HydrophobicContact CB-CB 3.51Å; L436-P444 HydrophobicContact CB-CG 4.38Å; W438-P444 VanDerWaalsContact CD1-CD 3.48Å |
| 445 | Q | 88 | Confident | 87.8 | Confident | 70 Ų | 70 | 32.7 Ų | 32.7 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -72.4 | 143.9 | 177.7 | -61.1 | -63.4 | -54.6 | 0 | 0 | 110.8 | P443 N463 | P443-Q445 PolarHBondContact O-N 3.24Å; Q445-N463 HydrophobicContact CB-CB 4.42Å; Q445-N463 PolarHBondContact O-ND2 3.48Å |
| 446 | Q | 90.8 | Very high | 87.8 | Confident | 60 Ų | 60 | 32.6 Ų | 32.6 | 28% | 0.28 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 141.1 | 179.8 | -70.4 | -177.2 | -4 | 0 | 0 | 111.4 | T448 N463 | Q446-T448 PolarHBondContact O-N 3.33Å; Q446-N463 WeakPolarHBondContact O-CB 3.42Å |
| 447 | I | 95.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 121.3 | 176.6 | -67.2 | 160.8 | 0 | 0 | 0 | 107.7 | Q322 M323 V336 I342 L436 S449 F461 G462 | Q322-I447 PolarHBondContact NE2-O 3.4Å; M323-I447 VanDerWaalsContact CE-O 3.25Å; M323-I447 WeakPolarHBondContact CE-O 3.35Å; V336-I447 HydrophobicContact CG1-CB 3.8Å; V336-I447 HydrophobicContact CG1-CD1 3.82Å; V336-I447 HydrophobicContact CG1-CG1 4.39Å; V336-I447 HydrophobicContact CG1-CG2 4.13Å; I342-I447 HydrophobicContact CD1-CD1 3.87Å; I342-I447 HydrophobicContact CG1-CD1 3.55Å; L436-I447 HydrophobicContact CD1-CD1 4.4Å; L436-I447 HydrophobicContact CD1-CG1 3.95Å; I447-S449 VanDerWaalsContact CG2-O 3.29Å; I447-S449 WeakPolarHBondContact CG2-O 3.28Å; I447-F461 HydrophobicContact CD1-CD2 4.26Å; I447-F461 HydrophobicContact CG1-CD2 4.15Å; I447-F461 HydrophobicContact CG2-CB 4.11Å; I447-G462 CarbonylContact C-O 3.52Å |
| 448 | T | 95.5 | Very high | 88.3 | Confident | 51 Ų | 51 | 32 Ų | 32 | 31% | 0.313 | 18% | 0.176 | S | C | . | . | trans | -97 | -20.1 | -176.2 | 51 | 0 | 0 | 0 | 0 | 112.8 | Q446 G462 N463 I657 | Q446-T448 PolarHBondContact O-N 3.33Å; T448-G462 PolarHBondContact N-O 3.47Å; T448-G462 PolarHBondContact OG1-O 3.13Å; T448-N463 VanDerWaalsContact OG1-CA 3.31Å; T448-N463 WeakPolarHBondContact OG1-CA 3.28Å; T448-I657 WeakPolarHBondContact CB-O 3.44Å; T448-I657 PolarHBondContact OG1-O 2.65Å | ||
| 449 | S | 96.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.6 | 178.4 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | I447 F461 G462 I657 L660 | I447-S449 VanDerWaalsContact CG2-O 3.29Å; I447-S449 WeakPolarHBondContact CG2-O 3.28Å; S449-F461 VanDerWaalsContact O-CA 3.27Å; S449-F461 WeakPolarHBondContact O-CA 3.11Å; S449-G462 PolarHBondContact N-O 3.45Å; S449-G462 PolarHBondContact O-N 2.83Å; S449-I657 VanDerWaalsContact OG-CG2 3.31Å; S449-I657 WeakPolarHBondContact OG-CG2 3.38Å; S449-I657 PolarHBondContact OG-O 3.23Å; S449-L660 WeakPolarHBondContact OG-CD1 3.13Å |
| 450 | L | 97.6 | Very high | 90.3 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137 | 178.6 | 177.9 | 75.8 | 0 | 0 | 0 | 108.7 | M323 C334 V336 I342 L459 A460 F461 | M323-L450 HydrophobicContact SD-CB 4.07Å; C334-L450 HydrophobicContact CB-CD2 3.94Å; V336-L450 HydrophobicContact CG2-CB 4.35Å; V336-L450 HydrophobicContact CG2-CD2 3.71Å; V336-L450 HydrophobicContact CG2-CG 4.43Å; I342-L450 HydrophobicContact CD1-CD1 3.97Å; I342-L450 HydrophobicContact CG2-CD1 4.43Å; L450-L459 HydrophobicContact CD1-CD1 4.02Å; L450-L459 HydrophobicContact CD1-CD2 3.95Å; L450-L459 HydrophobicContact CD1-CG 3.9Å; L450-A460 CarbonylContact C-O 3.49Å; L450-A460 WeakPolarHBondContact CA-O 3.43Å; L450-F461 HydrophobicContact CD1-CB 4Å |
| 451 | D | 97.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 16% | 0.16 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.9 | 162.7 | -167.5 | 39.7 | 0 | 0 | 0 | 112.1 | L459 A460 L660 Q661 F662 | D451-L459 WeakPolarHBondContact O-CA 3.28Å; D451-A460 PolarHBondContact N-O 3.1Å; D451-A460 PolarHBondContact O-N 3.06Å; D451-L660 HydrophobicContact CB-CB 3.9Å; D451-L660 WeakPolarHBondContact CB-O 3.32Å; D451-Q661 VanDerWaalsContact OD2-CA 3.3Å; D451-Q661 WeakPolarHBondContact OD2-CA 3.19Å; D451-F662 HydrophobicContact CB-CD2 4.28Å; D451-F662 VanDerWaalsContact OD2-CD2 3.27Å; D451-F662 WeakPolarHBondContact OD2-CD2 3.29Å; D451-F662 PolarHBondContact OD2-N 2.89Å |
| 452 | L | 95.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.7 | -176.3 | 171.3 | 74.8 | 0 | 0 | 0 | 109 | I332 L344 L459 Y472 | I332-L452 HydrophobicContact CB-CD2 4Å; I332-L452 HydrophobicContact CG2-CD1 4.2Å; I332-L452 HydrophobicContact CG2-CD2 3.58Å; I332-L452 HydrophobicContact CG2-CG 4.47Å; L344-L452 HydrophobicContact CD1-CD1 4.29Å; L452-L459 HydrophobicContact CD1-CB 4.29Å; L452-L459 HydrophobicContact CD1-CD1 4.32Å; L452-Y472 HydrophobicContact CD1-CD1 3.96Å; L452-Y472 HydrophobicContact CD1-CE1 3.47Å; L452-Y472 VanDerWaalsContact CD1-CE1 3.47Å |
| 453 | N | 95.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.5 | 172.1 | -168.6 | -63.2 | 0 | 0 | 0 | 111.7 | A455 Y456 G457 L458 Y472 F662 P737 | N453-A455 PolarHBondContact O-N 3.25Å; N453-A455 WeakPolarHBondContact OD1-CB 3.43Å; N453-A455 PolarHBondContact OD1-N 3.28Å; N453-Y456 HydrophobicContact CB-CD2 3.77Å; N453-Y456 HydrophobicContact CB-CG 4.1Å; N453-Y456 PolarHBondContact O-N 2.92Å; N453-Y456 VanDerWaalsContact OD1-CG 3.28Å; N453-Y456 PolarHBondContact OD1-N 2.8Å; N453-G457 PolarHBondContact O-N 2.93Å; N453-G457 VanDerWaalsContact O-N 3.09Å; N453-L458 PolarHBondContact N-O 3.22Å; N453-L458 PolarHBondContact O-N 2.78Å; N453-Y472 PolarHBondContact O-OH 3.33Å; N453-F662 HydrophobicContact CB-CB 3.69Å; N453-F662 HydrophobicContact CB-CD2 3.73Å; N453-F662 HydrophobicContact CB-CG 3.84Å; N453-P737 PolarHBondContact ND2-O 3.34Å; N453-P737 PolarHBondContact OD1-O 2.78Å |
| 454 | S | 93.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -31.5 | -176 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | S330 Y472 Y738 E739 R756 | S330-S454 VanDerWaalsContact CB-CB 3.4Å; S330-S454 WeakPolarHBondContact CB-OG 3.32Å; S330-S454 VanDerWaalsContact OG-CB 3.23Å; S330-S454 WeakPolarHBondContact OG-CB 3.4Å; S330-S454 PolarHBondContact OG-OG 2.86Å; S454-Y472 VanDerWaalsContact CA-OH 3.24Å; S454-Y472 WeakPolarHBondContact CA-OH 3.21Å; S454-Y472 PolarHBondContact O-OH 2.8Å; S454-Y738 VanDerWaalsContact OG-CA 3.24Å; S454-Y738 WeakPolarHBondContact OG-CA 3.1Å; S454-Y738 VanDerWaalsContact OG-CB 3.26Å; S454-Y738 WeakPolarHBondContact OG-CB 3.25Å; S454-E739 PolarHBondContact OG-N 3.07Å; S454-R756 PolarHBondContact O-NH2 2.81Å |
| 455 | A | 91.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N453 G457 P737 R756 L758 | N453-A455 PolarHBondContact O-N 3.25Å; N453-A455 WeakPolarHBondContact OD1-CB 3.43Å; N453-A455 PolarHBondContact OD1-N 3.28Å; A455-G457 VanDerWaalsContact C-N 3.31Å; A455-G457 PolarHBondContact O-N 2.84Å; A455-P737 HydrophobicContact CB-CB 3.81Å; A455-P737 HydrophobicContact CB-CG 4.23Å; A455-R756 PolarHBondContact O-NH1 3.08Å; A455-R756 PolarHBondContact O-NH2 3.47Å; A455-L758 HydrophobicContact CB-CD2 4Å |
| 456 | Y | 92.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 3% | 0.027 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.8 | -178 | -62.4 | -13.5 | 0 | 0 | 0 | 113.2 | N453 L458 F662 E664 P676 I694 R701 P737 | N453-Y456 HydrophobicContact CB-CD2 3.77Å; N453-Y456 HydrophobicContact CB-CG 4.1Å; N453-Y456 PolarHBondContact O-N 2.92Å; N453-Y456 VanDerWaalsContact OD1-CG 3.28Å; N453-Y456 PolarHBondContact OD1-N 2.8Å; Y456-L458 VanDerWaalsContact C-N 3.3Å; Y456-F662 HydrophobicContact CD2-CB 4.1Å; Y456-F662 HydrophobicContact CD2-CD1 4.14Å; Y456-F662 HydrophobicContact CD2-CG 4.3Å; Y456-F662 HydrophobicContact CE2-CB 4.08Å; Y456-E664 WeakPolarHBondContact OH-CG 3.09Å; Y456-P676 HydrophobicContact CD2-CB 4.5Å; Y456-P676 HydrophobicContact CE1-CB 4.17Å; Y456-P676 HydrophobicContact CE1-CG 4.15Å; Y456-P676 HydrophobicContact CE2-CB 3.91Å; Y456-I694 HydrophobicContact CD1-CD1 3.49Å; Y456-I694 VanDerWaalsContact CD1-CD1 3.49Å; Y456-I694 HydrophobicContact CD2-CD1 3.85Å; Y456-I694 HydrophobicContact CE1-CD1 4.12Å; Y456-I694 HydrophobicContact CE2-CD1 4.43Å; Y456-I694 HydrophobicContact CG-CD1 3.34Å; Y456-R701 PolarHBondContact O-NE 2.6Å; Y456-R701 PolarHBondContact O-NH2 2.98Å; Y456-P737 HydrophobicContact CD1-CG 4.41Å; Y456-P737 HydrophobicContact CE1-CG 3.6Å; Y456-P737 HydrophobicContact CE2-CG 4.45Å |
| 457 | G | 93.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 21 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N453 A455 Y472 | N453-G457 PolarHBondContact O-N 2.93Å; N453-G457 VanDerWaalsContact O-N 3.09Å; A455-G457 VanDerWaalsContact C-N 3.31Å; A455-G457 PolarHBondContact O-N 2.84Å; G457-Y472 VanDerWaalsContact C-CZ 3.44Å; G457-Y472 WeakPolarHBondContact CA-OH 3.43Å; G457-Y472 WeakPolarHBondContact O-CD1 3.31Å; G457-Y472 WeakPolarHBondContact O-CE1 3.46Å; G457-Y472 PolarHBondContact O-N 2.84Å |
| 458 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.6 | -168.4 | -59.1 | -175.9 | 0 | 0 | 0 | 112.8 | N453 Y456 V470 D471 Y472 I478 F662 L692 I694 V706 | N453-L458 PolarHBondContact N-O 3.22Å; N453-L458 PolarHBondContact O-N 2.78Å; Y456-L458 VanDerWaalsContact C-N 3.3Å; L458-V470 WeakPolarHBondContact CA-O 3.14Å; L458-D471 HydrophobicContact CD2-CB 4.17Å; L458-Y472 WeakPolarHBondContact O-CE1 3.48Å; L458-I478 HydrophobicContact CD2-CD1 3.32Å; L458-F662 HydrophobicContact CB-CE1 4.04Å; L458-F662 HydrophobicContact CB-CE2 4.17Å; L458-F662 HydrophobicContact CB-CZ 3.67Å; L458-F662 HydrophobicContact CD1-CE1 4.02Å; L458-F662 HydrophobicContact CD1-CZ 4.43Å; L458-L692 HydrophobicContact CD1-CD1 3.83Å; L458-I694 HydrophobicContact CD1-CD1 4.13Å; L458-V706 HydrophobicContact CD1-CG1 4.23Å; L458-V706 HydrophobicContact CD2-CG2 4.19Å |
| 459 | L | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.3 | 172.2 | 176.9 | 147.7 | 0 | 0 | 0 | 108.6 | C334 I342 L344 I434 L450 D451 L452 F461 V470 Y472 | C334-L459 HydrophobicContact CB-CD1 4.35Å; C334-L459 WeakPolarHBondContact SG-CD1 3.32Å; I342-L459 HydrophobicContact CD1-CD2 4.03Å; I342-L459 HydrophobicContact CG2-CD1 4.09Å; L344-L459 HydrophobicContact CD1-CD1 4.4Å; I434-L459 HydrophobicContact CD1-CD2 3.73Å; L450-L459 HydrophobicContact CD1-CD1 4.02Å; L450-L459 HydrophobicContact CD1-CD2 3.95Å; L450-L459 HydrophobicContact CD1-CG 3.9Å; D451-L459 WeakPolarHBondContact O-CA 3.28Å; L452-L459 HydrophobicContact CD1-CB 4.29Å; L452-L459 HydrophobicContact CD1-CD1 4.32Å; L459-F461 HydrophobicContact CD2-CD1 3.71Å; L459-F461 HydrophobicContact CD2-CE1 4.41Å; L459-V470 PolarHBondContact N-O 2.82Å; L459-V470 PolarHBondContact O-N 2.83Å; L459-Y472 HydrophobicContact CB-CD1 4.16Å |
| 460 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | L450 D451 A468 V469 L660 F662 L678 | L450-A460 CarbonylContact C-O 3.49Å; L450-A460 WeakPolarHBondContact CA-O 3.43Å; D451-A460 PolarHBondContact N-O 3.1Å; D451-A460 PolarHBondContact O-N 3.06Å; A460-A468 VanDerWaalsContact CA-O 3.29Å; A460-A468 WeakPolarHBondContact CA-O 3.32Å; A460-V469 HydrophobicContact CB-CG2 4.2Å; A460-L660 HydrophobicContact CB-CD1 4.11Å; A460-F662 HydrophobicContact CB-CE2 3.73Å; A460-F662 HydrophobicContact CB-CZ 3.62Å; A460-L678 HydrophobicContact CB-CD1 3.9Å; A460-L678 HydrophobicContact CB-CD2 3.72Å; A460-L678 HydrophobicContact CB-CG 4.49Å |
| 461 | F | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.3 | 176.7 | 66.9 | -84.4 | 0 | 0 | 0 | 111.1 | I342 V361 L363 I434 L436 I447 S449 L450 L459 A468 V470 | I342-F461 HydrophobicContact CD1-CB 3.67Å; I342-F461 HydrophobicContact CD1-CD1 3.5Å; I342-F461 VanDerWaalsContact CD1-CD1 3.5Å; I342-F461 HydrophobicContact CD1-CD2 3.92Å; I342-F461 HydrophobicContact CD1-CE1 4.03Å; I342-F461 HydrophobicContact CD1-CE2 4.4Å; I342-F461 HydrophobicContact CD1-CG 3.42Å; I342-F461 VanDerWaalsContact CD1-CG 3.42Å; I342-F461 HydrophobicContact CD1-CZ 4.45Å; V361-F461 HydrophobicContact CB-CZ 4.23Å; V361-F461 HydrophobicContact CG1-CZ 4.05Å; V361-F461 HydrophobicContact CG2-CZ 4.21Å; L363-F461 HydrophobicContact CD1-CE2 4.14Å; I434-F461 HydrophobicContact CD1-CE1 4.46Å; I434-F461 HydrophobicContact CG2-CE1 3.86Å; I434-F461 HydrophobicContact CG2-CZ 3.77Å; L436-F461 HydrophobicContact CD1-CE2 4.26Å; L436-F461 HydrophobicContact CD2-CE2 3.91Å; L436-F461 HydrophobicContact CD2-CZ 4.41Å; L436-F461 HydrophobicContact CG-CE2 4.15Å; I447-F461 HydrophobicContact CD1-CD2 4.26Å; I447-F461 HydrophobicContact CG1-CD2 4.15Å; I447-F461 HydrophobicContact CG2-CB 4.11Å; S449-F461 VanDerWaalsContact O-CA 3.27Å; S449-F461 WeakPolarHBondContact O-CA 3.11Å; L450-F461 HydrophobicContact CD1-CB 4Å; L459-F461 HydrophobicContact CD2-CD1 3.71Å; L459-F461 HydrophobicContact CD2-CE1 4.41Å; F461-A468 HydrophobicContact CD1-CB 4.15Å; F461-A468 HydrophobicContact CE1-CB 3.61Å; F461-A468 HydrophobicContact CE2-CB 4.07Å; F461-A468 HydrophobicContact CZ-CB 3.58Å; F461-A468 PolarHBondContact N-O 3.23Å; F461-A468 PolarHBondContact O-N 3.12Å; F461-V470 HydrophobicContact CE1-CG2 3.95Å |
| 462 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 161.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | I447 T448 S449 G466 | I447-G462 CarbonylContact C-O 3.52Å; T448-G462 PolarHBondContact N-O 3.47Å; T448-G462 PolarHBondContact OG1-O 3.13Å; S449-G462 PolarHBondContact N-O 3.45Å; S449-G462 PolarHBondContact O-N 2.83Å; G462-G466 WeakPolarHBondContact CA-O 3.23Å |
| 463 | N | 93.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.011 | 3% | 0.034 | C | C | . | . | trans | -141.3 | -160.4 | 173.5 | 64.3 | 14.3 | 0 | 0 | 0 | 110.4 | Q445 Q446 T448 N465 G466 I657 | Q445-N463 HydrophobicContact CB-CB 4.42Å; Q445-N463 PolarHBondContact O-ND2 3.48Å; Q446-N463 WeakPolarHBondContact O-CB 3.42Å; T448-N463 VanDerWaalsContact OG1-CA 3.31Å; T448-N463 WeakPolarHBondContact OG1-CA 3.28Å; N463-N465 VanDerWaalsContact C-N 3.26Å; N463-N465 PolarHBondContact O-N 3.04Å; N463-N465 WeakPolarHBondContact OD1-CA 3.26Å; N463-N465 WeakPolarHBondContact OD1-CB 3.29Å; N463-N465 PolarHBondContact OD1-N 2.8Å; N463-G466 PolarHBondContact N-O 3.4Å; N463-G466 PolarHBondContact OD1-N 2.9Å; N463-I657 PolarHBondContact O-N 3.32Å; N463-I657 VanDerWaalsContact O-N 3.14Å | ||
| 464 | C | 91.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 18% | 0.176 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -74.4 | -12 | 174.5 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | T483 E655 A656 | C464-T483 PolarHBondContact O-OG1 2.92Å; C464-E655 CarbonylContact C-O 3.52Å; C464-E655 WeakPolarHBondContact CA-O 3.44Å; C464-A656 HydrophobicContact CB-CB 3.98Å |
| 465 | N | 89.4 | Confident | 94.6 | Very high | 53 Ų | 53 | 10.4 Ų | 10.4 | 28% | 0.283 | 5% | 0.053 | S | C | . | . | S | Bend | trans | -95.5 | -33.2 | -179.9 | -63.6 | -1.8 | 0 | 0 | 0 | 111.9 | L363 N463 S482 T483 | L363-N465 HydrophobicContact CB-CB 4.06Å; L363-N465 WeakPolarHBondContact O-CB 3.5Å; L363-N465 PolarHBondContact O-ND2 2.83Å; N463-N465 VanDerWaalsContact C-N 3.26Å; N463-N465 PolarHBondContact O-N 3.04Å; N463-N465 WeakPolarHBondContact OD1-CA 3.26Å; N463-N465 WeakPolarHBondContact OD1-CB 3.29Å; N463-N465 PolarHBondContact OD1-N 2.8Å; N465-S482 CarbonylContact O-C 3.55Å; N465-S482 WeakPolarHBondContact O-CA 3.36Å; N465-T483 PolarHBondContact O-N 3.34Å |
| 466 | G | 91.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | -167.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G462 N463 I481 | G462-G466 WeakPolarHBondContact CA-O 3.23Å; N463-G466 PolarHBondContact N-O 3.4Å; N463-G466 PolarHBondContact OD1-N 2.9Å; G466-I481 CarbonylContact C-O 3.52Å; G466-I481 WeakPolarHBondContact CA-O 3.32Å |
| 467 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | 178.9 | 173.1 | 63.8 | 0 | 0 | 0 | 109.6 | C480 I481 L486 I657 L660 L678 V680 I690 | L467-C480 WeakPolarHBondContact O-CA 3.42Å; L467-I481 PolarHBondContact N-O 3.05Å; L467-I481 PolarHBondContact O-N 2.84Å; L467-L486 HydrophobicContact CB-CD1 4.4Å; L467-L486 HydrophobicContact CD2-CD1 4.25Å; L467-I657 HydrophobicContact CB-CG1 4.4Å; L467-L660 HydrophobicContact CD1-CD1 3.89Å; L467-L660 HydrophobicContact CD1-CD2 3.63Å; L467-L660 HydrophobicContact CD1-CG 4.43Å; L467-L678 HydrophobicContact CD1-CD2 4.34Å; L467-L678 HydrophobicContact CD2-CD2 4.14Å; L467-V680 HydrophobicContact CD2-CG1 4.22Å; L467-V680 HydrophobicContact CD2-CG2 3.63Å; L467-I690 HydrophobicContact CD2-CD1 3.58Å |
| 468 | A | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V361 L363 A460 F461 L479 | V361-A468 HydrophobicContact CG1-CB 4.13Å; L363-A468 HydrophobicContact CD2-CB 4.24Å; A460-A468 VanDerWaalsContact CA-O 3.29Å; A460-A468 WeakPolarHBondContact CA-O 3.32Å; F461-A468 HydrophobicContact CD1-CB 4.15Å; F461-A468 HydrophobicContact CE1-CB 3.61Å; F461-A468 HydrophobicContact CE2-CB 4.07Å; F461-A468 HydrophobicContact CZ-CB 3.58Å; F461-A468 PolarHBondContact N-O 3.23Å; F461-A468 PolarHBondContact O-N 3.12Å; A468-L479 CarbonylContact C-O 3.52Å; A468-L479 WeakPolarHBondContact CA-O 3.46Å |
| 469 | V | 97.4 | Very high | 94.6 | 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 | -123.6 | 127.9 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | A460 I478 L479 F662 L678 | A460-V469 HydrophobicContact CB-CG2 4.2Å; V469-I478 HydrophobicContact CG1-CD1 4.15Å; V469-I478 PolarHBondContact O-N 2.77Å; V469-L479 HydrophobicContact CB-CB 3.83Å; V469-L479 HydrophobicContact CG2-CB 3.97Å; V469-L479 HydrophobicContact CG2-CD2 4.04Å; V469-L479 PolarHBondContact N-O 3.36Å; V469-L479 PolarHBondContact O-N 3.15Å; V469-F662 HydrophobicContact CG1-CZ 4.2Å; V469-L678 HydrophobicContact CG2-CD2 3.58Å |
| 470 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.8 | -175.2 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | L359 L432 I434 L458 L459 F461 Y472 T476 V477 | L359-V470 HydrophobicContact CD1-CG1 3.87Å; L432-V470 HydrophobicContact CD2-CG1 4.27Å; I434-V470 HydrophobicContact CD1-CB 4.13Å; I434-V470 HydrophobicContact CD1-CG1 3.97Å; I434-V470 HydrophobicContact CD1-CG2 3.98Å; L458-V470 WeakPolarHBondContact CA-O 3.14Å; L459-V470 PolarHBondContact N-O 2.82Å; L459-V470 PolarHBondContact O-N 2.83Å; F461-V470 HydrophobicContact CE1-CG2 3.95Å; V470-Y472 PolarHBondContact O-N 3.08Å; V470-T476 CarbonylContact C-O 3.51Å; V470-T476 WeakPolarHBondContact CA-O 3.4Å; V470-T476 WeakPolarHBondContact CG1-O 3.3Å; V470-V477 HydrophobicContact CG2-CG2 4.37Å |
| 471 | D | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 106.2 | 163.5 | -167.5 | -28.5 | 0 | 0 | 0 | 108.4 | L458 L473 Q474 K475 T476 I478 R701 | L458-D471 HydrophobicContact CD2-CB 4.17Å; D471-L473 VanDerWaalsContact C-N 3.32Å; D471-L473 WeakPolarHBondContact OD1-CA 3.38Å; D471-L473 WeakPolarHBondContact OD1-CB 3.48Å; D471-L473 PolarHBondContact OD1-N 2.73Å; D471-Q474 HydrophobicContact CB-CB 4.3Å; D471-Q474 PolarHBondContact OD1-N 3.32Å; D471-K475 CarbonylContact O-C 3.6Å; D471-K475 WeakPolarHBondContact O-CA 3.33Å; D471-K475 PolarHBondContact O-N 2.86Å; D471-T476 PolarHBondContact N-O 3.02Å; D471-T476 PolarHBondContact O-N 2.82Å; D471-I478 HydrophobicContact CB-CD1 3.72Å; D471-I478 HydrophobicContact CB-CG1 3.92Å; D471-R701 IonicContact OD1-CZ 3.65Å; D471-R701 IonicContact OD1-NH1 2.75Å; D471-R701 PolarHBondContact OD1-NH1 2.91Å; D471-R701 IonicContact OD1-NH2 3.83Å; D471-R701 PolarHBondContact OD1-NH2 3.04Å; D471-R701 IonicContact OD2-CZ 3.17Å; D471-R701 IonicContact OD2-NH1 2.8Å; D471-R701 PolarHBondContact OD2-NH1 2.93Å; D471-R701 IonicContact OD2-NH2 3.81Å; D471-R701 PolarHBondContact OD2-NH2 3.14Å |
| 472 | Y | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.3 | 179.6 | 69 | -109.3 | 0 | 0 | 0 | 112.8 | I332 L344 L452 N453 S454 G457 L458 L459 V470 | I332-Y472 HydrophobicContact CD1-CE2 4.11Å; I332-Y472 WeakPolarHBondContact CD1-OH 3.48Å; L344-Y472 HydrophobicContact CD1-CD1 3.75Å; L344-Y472 HydrophobicContact CD1-CD2 3.94Å; L344-Y472 HydrophobicContact CD1-CE1 4.38Å; L344-Y472 HydrophobicContact CD1-CG 3.51Å; L452-Y472 HydrophobicContact CD1-CD1 3.96Å; L452-Y472 HydrophobicContact CD1-CE1 3.47Å; L452-Y472 VanDerWaalsContact CD1-CE1 3.47Å; N453-Y472 PolarHBondContact O-OH 3.33Å; S454-Y472 VanDerWaalsContact CA-OH 3.24Å; S454-Y472 WeakPolarHBondContact CA-OH 3.21Å; S454-Y472 PolarHBondContact O-OH 2.8Å; G457-Y472 VanDerWaalsContact C-CZ 3.44Å; G457-Y472 WeakPolarHBondContact CA-OH 3.43Å; G457-Y472 WeakPolarHBondContact O-CD1 3.31Å; G457-Y472 WeakPolarHBondContact O-CE1 3.46Å; G457-Y472 PolarHBondContact O-N 2.84Å; L458-Y472 WeakPolarHBondContact O-CE1 3.48Å; L459-Y472 HydrophobicContact CB-CD1 4.16Å; V470-Y472 PolarHBondContact O-N 3.08Å |
| 473 | L | 92.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 23.9 Ų | 23.9 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -48.8 | 172 | -60.6 | -175.8 | 0 | 0 | 0 | 110.2 | D471 R701 M702 | D471-L473 VanDerWaalsContact C-N 3.32Å; D471-L473 WeakPolarHBondContact OD1-CA 3.38Å; D471-L473 WeakPolarHBondContact OD1-CB 3.48Å; D471-L473 PolarHBondContact OD1-N 2.73Å; L473-R701 HydrophobicContact CD1-CG 4.2Å; L473-M702 HydrophobicContact CB-SD 4.35Å |
| 474 | Q | 92.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 27.7 Ų | 27.7 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.1 | 177 | -64.7 | -178.5 | 7.8 | 0 | 0 | 113 | D471 T476 R701 D704 | D471-Q474 HydrophobicContact CB-CB 4.3Å; D471-Q474 PolarHBondContact OD1-N 3.32Å; Q474-T476 HydrophobicContact CB-CG2 4.34Å; Q474-R701 PolarHBondContact NE2-O 2.91Å; Q474-D704 PolarHBondContact NE2-O 3.46Å |
| 475 | K | 94.4 | Very high | 92.2 | Very high | 52 Ų | 52 | 31 Ų | 31 | 23% | 0.226 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 50.8 | -177.5 | -49.9 | -173.1 | 179.9 | -162.1 | 0 | 111.1 | V357 L359 D431 D471 | V357-K475 HydrophobicContact CB-CD 3.71Å; V357-K475 HydrophobicContact CG1-CB 4.29Å; V357-K475 HydrophobicContact CG1-CD 3.79Å; V357-K475 HydrophobicContact CG2-CD 3.57Å; V357-K475 VanDerWaalsContact CG2-NZ 3.33Å; L359-K475 HydrophobicContact CD1-CB 4.48Å; L359-K475 WeakPolarHBondContact CD1-O 3.48Å; L359-K475 VanDerWaalsContact CD2-O 3.32Å; L359-K475 WeakPolarHBondContact CD2-O 3.43Å; D431-K475 PolarHBondContact O-NZ 3.4Å; D431-K475 IonicContact OD1-NZ 2.7Å; D431-K475 PolarHBondContact OD1-NZ 3.11Å; D471-K475 CarbonylContact O-C 3.6Å; D471-K475 WeakPolarHBondContact O-CA 3.33Å; D471-K475 PolarHBondContact O-N 2.86Å |
| 476 | T | 94 | Very high | 91.8 | Very high | 60 Ų | 60 | 29 Ų | 29 | 37% | 0.368 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.6 | -177.8 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | V470 D471 Q474 | V470-T476 CarbonylContact C-O 3.51Å; V470-T476 WeakPolarHBondContact CA-O 3.4Å; V470-T476 WeakPolarHBondContact CG1-O 3.3Å; D471-T476 PolarHBondContact N-O 3.02Å; D471-T476 PolarHBondContact O-N 2.82Å; Q474-T476 HydrophobicContact CB-CG2 4.34Å |
| 477 | V | 95.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.1 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | V361 V470 C480 | V361-V477 HydrophobicContact CG2-CG2 3.8Å; V470-V477 HydrophobicContact CG2-CG2 4.37Å; V477-C480 HydrophobicContact CG1-CB 4.3Å |
| 478 | I | 94.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 32 Ų | 32 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -42.8 | 178.6 | -61.6 | 161.4 | 0 | 0 | 0 | 110.1 | L458 V469 D471 V706 V708 | L458-I478 HydrophobicContact CD2-CD1 3.32Å; V469-I478 HydrophobicContact CG1-CD1 4.15Å; V469-I478 PolarHBondContact O-N 2.77Å; D471-I478 HydrophobicContact CB-CD1 3.72Å; D471-I478 HydrophobicContact CB-CG1 3.92Å; I478-V706 HydrophobicContact CD1-CB 3.79Å; I478-V706 HydrophobicContact CD1-CG1 4.02Å; I478-V706 HydrophobicContact CD1-CG2 4.42Å; I478-V706 HydrophobicContact CG1-CB 4.44Å; I478-V708 HydrophobicContact CG2-CG2 3.51Å |
| 479 | L | 91.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 137.6 | -171.7 | -166.2 | 63.5 | 0 | 0 | 0 | 109.8 | A468 V469 I481 I690 V708 | A468-L479 CarbonylContact C-O 3.52Å; A468-L479 WeakPolarHBondContact CA-O 3.46Å; V469-L479 HydrophobicContact CB-CB 3.83Å; V469-L479 HydrophobicContact CG2-CB 3.97Å; V469-L479 HydrophobicContact CG2-CD2 4.04Å; V469-L479 PolarHBondContact N-O 3.36Å; V469-L479 PolarHBondContact O-N 3.15Å; L479-I481 HydrophobicContact CD1-CD1 3.47Å; L479-I481 VanDerWaalsContact CD1-CD1 3.47Å; L479-I481 HydrophobicContact CD1-CG1 3.72Å; L479-I481 HydrophobicContact CD2-CD1 3.8Å; L479-I481 HydrophobicContact CD2-CG1 4.38Å; L479-I481 HydrophobicContact CG-CD1 3.71Å; L479-I481 HydrophobicContact CG-CG1 3.83Å; L479-I690 HydrophobicContact CD2-CD1 4.04Å; L479-I690 HydrophobicContact CD2-CG2 4.25Å; L479-V708 HydrophobicContact CB-CG2 4.36Å; L479-V708 HydrophobicContact CD1-CG1 4.33Å; L479-V708 HydrophobicContact CD1-CG2 4.29Å; L479-V708 HydrophobicContact CD2-CG1 4.28Å; L479-V708 HydrophobicContact CD2-CG2 4.49Å |
| 480 | C | 92.6 | Very high | 87.2 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 109.8 | 169.7 | -164.9 | 0 | 0 | 0 | 0 | 107.5 | R362 L363 L467 V477 | R362-C480 PolarHBondContact O-SG 2.74Å; L363-C480 VanDerWaalsContact CD2-SG 3.56Å; L467-C480 WeakPolarHBondContact O-CA 3.42Å; V477-C480 HydrophobicContact CG1-CB 4.3Å |
| 481 | I | 90.3 | Very high | 85.8 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.4 | -173.1 | -60.2 | 177.3 | 0 | 0 | 0 | 109.4 | G466 L467 L479 D485 | G466-I481 CarbonylContact C-O 3.52Å; G466-I481 WeakPolarHBondContact CA-O 3.32Å; L467-I481 PolarHBondContact N-O 3.05Å; L467-I481 PolarHBondContact O-N 2.84Å; L479-I481 HydrophobicContact CD1-CD1 3.47Å; L479-I481 VanDerWaalsContact CD1-CD1 3.47Å; L479-I481 HydrophobicContact CD1-CG1 3.72Å; L479-I481 HydrophobicContact CD2-CD1 3.8Å; L479-I481 HydrophobicContact CD2-CG1 4.38Å; L479-I481 HydrophobicContact CG-CD1 3.71Å; L479-I481 HydrophobicContact CG-CG1 3.83Å; I481-D485 HydrophobicContact CG2-CB 3.68Å |
| 482 | S | 88.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 150.5 | 172.7 | 176 | 0 | 0 | 0 | 0 | 111.8 | C365 N465 L484 D485 L486 | C365-S482 WeakPolarHBondContact CB-OG 3.25Å; C365-S482 PolarHBondContact SG-OG 3.17Å; N465-S482 CarbonylContact O-C 3.55Å; N465-S482 WeakPolarHBondContact O-CA 3.36Å; S482-L484 PolarHBondContact O-N 3.24Å; S482-L484 VanDerWaalsContact O-N 3.1Å; S482-L484 PolarHBondContact OG-N 3.2Å; S482-D485 WeakPolarHBondContact CB-OD2 3.49Å; S482-D485 PolarHBondContact O-N 3.34Å; S482-L486 PolarHBondContact O-N 2.81Å; S482-L486 VanDerWaalsContact O-N 3.14Å |
| 483 | T | 86.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.2 | 171.7 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | C464 N465 I657 | C464-T483 PolarHBondContact O-OG1 2.92Å; N465-T483 PolarHBondContact O-N 3.34Å; T483-I657 HydrophobicContact CG2-CD1 4.18Å; T483-I657 HydrophobicContact CG2-CG1 4.38Å |
| 484 | L | 81.2 | Confident | 81.2 | Confident | 82 Ų | 82 | 59 Ų | 59 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -35.8 | 174.4 | -68.9 | 168.7 | 0 | 0 | 0 | 112.9 | C365 S482 L486 | C365-L484 HydrophobicContact CB-CD1 4.19Å; C365-L484 WeakPolarHBondContact SG-CD1 3.13Å; S482-L484 PolarHBondContact O-N 3.24Å; S482-L484 VanDerWaalsContact O-N 3.1Å; S482-L484 PolarHBondContact OG-N 3.2Å; L484-L486 VanDerWaalsContact C-N 3.34Å |
| 485 | D | 83.4 | Confident | 79.6 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -87.7 | -9.7 | -177.1 | -59.1 | -37.5 | 0 | 0 | 0 | 112.6 | I481 S482 Y487 G488 | I481-D485 HydrophobicContact CG2-CB 3.68Å; S482-D485 WeakPolarHBondContact CB-OD2 3.49Å; S482-D485 PolarHBondContact O-N 3.34Å; D485-Y487 PolarHBondContact O-N 3.1Å; D485-Y487 VanDerWaalsContact O-N 3.07Å; D485-G488 PolarHBondContact O-N 3.01Å; D485-G488 VanDerWaalsContact O-N 3.1Å |
| 486 | L | 81.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -56.8 | -29 | -174.7 | -159.3 | 72.3 | 0 | 0 | 0 | 113.1 | L467 S482 L484 I657 V680 T682 I688 | L467-L486 HydrophobicContact CB-CD1 4.4Å; L467-L486 HydrophobicContact CD2-CD1 4.25Å; S482-L486 PolarHBondContact O-N 2.81Å; S482-L486 VanDerWaalsContact O-N 3.14Å; L484-L486 VanDerWaalsContact C-N 3.34Å; L486-I657 HydrophobicContact CD2-CD1 3.7Å; L486-V680 HydrophobicContact CD2-CG1 4.42Å; L486-T682 HydrophobicContact CD2-CG2 4.06Å; L486-I688 HydrophobicContact CB-CD1 4.29Å; L486-I688 HydrophobicContact CD1-CD1 4.42Å; L486-I688 HydrophobicContact CD2-CD1 3.32Å; L486-I688 HydrophobicContact CG-CD1 3.36Å |
| 487 | Y | 79.8 | Confident | 74.4 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -97 | -13.7 | -177.6 | -51.6 | -64.6 | 0 | 0 | 0 | 114.6 | D485 A489 T490 E655 V686 I688 | D485-Y487 PolarHBondContact O-N 3.1Å; D485-Y487 VanDerWaalsContact O-N 3.07Å; Y487-A489 PolarHBondContact O-N 3.11Å; Y487-T490 PolarHBondContact O-N 2.95Å; Y487-T490 PolarHBondContact O-OG1 2.84Å; Y487-E655 WeakPolarHBondContact CE2-OE2 3.37Å; Y487-E655 PolarHBondContact OH-OE1 2.55Å; Y487-E655 PolarHBondContact OH-OE2 3Å; Y487-V686 HydrophobicContact CD1-CG1 4.49Å; Y487-V686 HydrophobicContact CE1-CB 4.17Å; Y487-V686 HydrophobicContact CE1-CG1 3.65Å; Y487-V686 HydrophobicContact CE1-CG2 4.18Å; Y487-I688 HydrophobicContact CD1-CD1 3.94Å; Y487-I688 HydrophobicContact CE1-CD1 3.61Å; Y487-I688 HydrophobicContact CE1-CG1 4.41Å |
| 488 | G | 75.3 | Confident | 71.8 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | 47 | -131.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D485 T490 | D485-G488 PolarHBondContact O-N 3.01Å; D485-G488 VanDerWaalsContact O-N 3.1Å; G488-T490 PolarHBondContact O-N 3.1Å |
| 489 | A | 63 | Low | 68.6 | Low | 113 Ų | 113 | 80.1 Ų | 80.1 | 93% | 0.934 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -72.6 | -2.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y487 | Y487-A489 PolarHBondContact O-N 3.11Š|
| 490 | T | 66.2 | Low | 65.9 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -103.7 | 23.5 | -174.3 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | Y487 G488 P492 | Y487-T490 PolarHBondContact O-N 2.95Å; Y487-T490 PolarHBondContact O-OG1 2.84Å; G488-T490 PolarHBondContact O-N 3.1Å; T490-P492 WeakPolarHBondContact O-CD 3.23Å; T490-P492 VanDerWaalsContact O-N 3.09Å |
| 491 | D | 68.8 | Low | 63 | Low | 47 Ų | 47 | 93.1 Ų | 93.1 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | trans | -54 | 112.6 | -179.8 | -173.3 | -0.4 | 0 | 0 | 0 | 111.6 | Y493 | D491-Y493 PolarHBondContact O-N 3.05Å; D491-Y493 PolarHBondContact OD1-N 3.18Å; D491-Y493 VanDerWaalsContact OD2-O 3.06Å | ||
| 492 | P | 65 | Low | 60.1 | Low | 59 Ų | 59 | 101.9 Ų | 101.9 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -70.7 | -14.4 | 178.7 | 25.8 | -28.9 | 0 | 0 | 0 | 112.7 | T490 M716 | T490-P492 WeakPolarHBondContact O-CD 3.23Å; T490-P492 VanDerWaalsContact O-N 3.09Å; P492-M716 HydrophobicContact CG-SD 4.37Å |
| 493 | Y | 64.9 | Low | 57.2 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -121.5 | 78.2 | -177.5 | -59.3 | -79.4 | 0 | 0 | 0 | 109.4 | D491 R495 L684 V686 M716 | D491-Y493 PolarHBondContact O-N 3.05Å; D491-Y493 PolarHBondContact OD1-N 3.18Å; D491-Y493 VanDerWaalsContact OD2-O 3.06Å; Y493-R495 WeakPolarHBondContact O-CG 3.13Å; Y493-R495 PolarHBondContact O-N 3.03Å; Y493-L684 HydrophobicContact CD2-CD1 3.95Å; Y493-L684 HydrophobicContact CE2-CB 3.98Å; Y493-L684 HydrophobicContact CE2-CD1 3.74Å; Y493-L684 PolarHBondContact OH-O 3.05Å; Y493-V686 HydrophobicContact CE2-CG2 4.01Å; Y493-M716 HydrophobicContact CE2-CE 4Å; Y493-M716 WeakPolarHBondContact OH-CE 3.34Å |
| 494 | Q | 55.8 | Low | 54.5 | Low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 61% | 0.605 | S | S | * | * | trans | -44.3 | 96 | 177.8 | -69.9 | -178.5 | -7.6 | 0 | 0 | 112.4 | L496 | Q494-L496 PolarHBondContact O-N 3.43Š| ||
| 495 | R | 59.8 | Low | 52.2 | Low | 92 Ų | 92 | 124 Ų | 124 | 35% | 0.347 | 63% | 0.626 | S | S | . | * | trans | -84.9 | 113 | -177.2 | -51.7 | -169.5 | -168.8 | -176 | 1.2 | 108.1 | Y493 T497 E655 | Y493-R495 WeakPolarHBondContact O-CG 3.13Å; Y493-R495 PolarHBondContact O-N 3.03Å; R495-T497 PolarHBondContact O-N 3.11Å; R495-E655 IonicContact CZ-OE2 3.18Å; R495-E655 IonicContact NH2-OE2 3.57Å; R495-E655 PolarHBondContact NH2-OE2 2.93Å | ||
| 496 | L | 40.9 | Very low | 49.4 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 90% | 0.895 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125.2 | 177.6 | -76.7 | 160.3 | 0 | 0 | 0 | 110.3 | Q494 | Q494-L496 PolarHBondContact O-N 3.43Š|
| 497 | T | 38.2 | Very low | 46.7 | Very low | 144 Ų | 144 | 131 Ų | 131 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.3 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | R495 | R495-T497 PolarHBondContact O-N 3.11Š|
| 498 | R | 39.3 | Very low | 44.1 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 137.2 | 173.6 | -76.7 | -174.7 | 175.9 | 170.9 | 3.2 | 110.2 | ||
| 499 | S | 28.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.4 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | R501 | S499-R501 PolarHBondContact O-N 2.78Š|
| 500 | P | 34.3 | Very low | 39.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.7 | 176.4 | -14.3 | 27.7 | 0 | 0 | 0 | 111.8 | I370 R502 | I370-P500 HydrophobicContact CD1-CG 4.11Å; P500-R502 PolarHBondContact O-N 3.14Å |
| 501 | R | 31.3 | Very low | 37.5 | Very low | 246 Ų | 246 | 146.5 Ų | 146.5 | 93% | 0.928 | 73% | 0.734 | S | S | * | * | trans | -83.9 | 110.6 | 165.9 | -85 | -173.8 | 170.7 | 177.3 | -1.4 | 109.5 | S499 N503 | S499-R501 PolarHBondContact O-N 2.78Å; R501-N503 PolarHBondContact O-N 3.43Å | ||
| 502 | R | 29.5 | Very low | 35.3 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -71.7 | 114.7 | 175.2 | -172.2 | 178.4 | 172.7 | -174 | 0.7 | 110.5 | P500 | P500-R502 PolarHBondContact O-N 3.14Š| ||
| 503 | N | 28.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 119.4 | 172.7 | -143.7 | 6.4 | 0 | 0 | 0 | 109.6 | R501 | R501-N503 PolarHBondContact O-N 3.43Š|
| 504 | R | 30 | Very low | 31.1 | Very low | 214 Ų | 214 | 158.4 Ų | 158.4 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 132.5 | -178.6 | -153.1 | 177.4 | -178.3 | -178.1 | -0.1 | 108.8 | ||
| 505 | Q | 31.8 | Very low | 29.5 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 145.7 | -177.1 | -70.1 | 163.2 | -26.3 | 0 | 0 | 115 | ||
| 506 | S | 25.2 | Very low | 27.9 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -134.9 | 121.3 | 149 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 507 | T | 24.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 154.5 Ų | 154.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 137 | 177.8 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 508 | S | 24.8 | Very low | 26.4 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 147.5 | 122.8 | 118.5 | 74.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 509 | E | 23 | Very low | 25.8 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | 80 | 117.9 | 143.9 | -65.8 | -169.8 | 164.9 | 0 | 0 | 124 | ||||
| 510 | H | 22.2 | Very low | 26 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 57 | 102.3 | 140.3 | -80 | 85.4 | 0 | 0 | 0 | 120.9 | ||||
| 511 | C | 21.5 | Very low | 25.8 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 91% | 0.905 | 76% | 0.76 | S | S | * | * | -161.4 | 148.2 | 119 | -156.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 512 | M | 22.8 | Very low | 25.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | trans | -73.8 | 156.3 | -170.7 | -73.3 | -108.2 | -78.6 | 0 | 0 | 115.5 | ||||
| 513 | R | 21.5 | Very low | 25.4 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | 39.8 | 125.5 | 141.8 | -71.9 | -176.3 | 177.4 | -171.9 | -1.4 | 119.5 | ||||
| 514 | G | 20.8 | Very low | 25.3 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 122.7 | 104.5 | 134.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 515 | L | 21.8 | Very low | 25.2 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | 48.2 | 115 | 129.1 | -67.2 | 170 | 0 | 0 | 0 | 121.4 | |||||
| 516 | S | 25.3 | Very low | 24.9 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | 64.9 | 129.1 | 119.7 | 76 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 517 | N | 25.1 | Very low | 24.8 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | trans | 84.7 | 151.2 | 147.5 | -50.7 | -28.2 | 0 | 0 | 0 | 117.8 | ||||
| 518 | F | 24 | Very low | 24.7 | Very low | 118 Ų | 118 | 148 Ų | 148 | 52% | 0.518 | 74% | 0.739 | S | S | . | * | cis | -152.9 | 160.2 | 26.5 | -103.7 | -70.8 | 0 | 0 | 0 | 113.6 | E635 | F518-E635 WeakPolarHBondContact CD2-O 3.4Å; F518-E635 WeakPolarHBondContact CE2-O 3.29Å | ||
| 519 | Y | 26.5 | Very low | 24.6 | Very low | 210 Ų | 210 | 148 Ų | 148 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -74.2 | 178.5 | 163.9 | -122.8 | -90.4 | 0 | 0 | 0 | 114.1 | F638 | Y519-F638 WeakPolarHBondContact O-CD1 3.19Å; Y519-F638 WeakPolarHBondContact O-CE1 3.47Å | ||
| 520 | S | 32.5 | Very low | 24.6 | Very low | 63 Ų | 63 | 151.3 Ų | 151.3 | 44% | 0.441 | 75% | 0.746 | S | S | . | * | trans | 95.1 | 161 | 162 | -116.6 | 0 | 0 | 0 | 0 | 116.1 | F638 | S520-F638 WeakPolarHBondContact O-CB 3.36Å; S520-F638 WeakPolarHBondContact O-CD1 3.49Å; S520-F638 WeakPolarHBondContact O-CE1 3.34Å; S520-F638 WeakPolarHBondContact O-CG 3.47Å | ||
| 521 | D | 28.8 | Very low | 24.7 | Very low | 86 Ų | 86 | 151.5 Ų | 151.5 | 46% | 0.46 | 75% | 0.748 | S | S | . | * | cis | -159.1 | 151.6 | 22.9 | -150 | 11.7 | 0 | 0 | 0 | 110 | F638 | D521-F638 HydrophobicContact CB-CD1 4.36Å; D521-F638 HydrophobicContact CB-CD2 3.76Å; D521-F638 HydrophobicContact CB-CE1 3.99Å; D521-F638 HydrophobicContact CB-CE2 3.33Å; D521-F638 HydrophobicContact CB-CG 4.26Å; D521-F638 HydrophobicContact CB-CZ 3.45Å; D521-F638 VanDerWaalsContact CB-CZ 3.45Å | ||
| 522 | S | 26.6 | Very low | 24.8 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | 164.4 | 114.4 | 101.7 | 38.6 | 0 | 0 | 0 | 0 | 111 | R640 | S522-R640 PolarHBondContact OG-NH2 2.76Š| |||
| 523 | K | 25.5 | Very low | 24.9 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -87 | 134.2 | 142.5 | -87.7 | -173.3 | 178.2 | 179.8 | 0 | 107.8 | ||||
| 524 | K | 26.8 | Very low | 25 | Very low | 203 Ų | 203 | 146.1 Ų | 146.1 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | -170.6 | 112 | 127.3 | -103.4 | 178.3 | -172.4 | -177.1 | 0 | 110.1 | |||||
| 525 | R | 28.5 | Very low | 25.2 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 74% | 0.744 | S | S | * | * | trans | -153.1 | 125.8 | 137.8 | -167.5 | 176.3 | -73.8 | -142.1 | 0.9 | 107.2 | ||||
| 526 | I | 24.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -94.9 | 139.8 | 178.2 | -63.2 | 169.8 | 0 | 0 | 0 | 107.9 | ||||
| 527 | R | 22.9 | Very low | 25.4 | Very low | 226 Ų | 226 | 151.2 Ų | 151.2 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | 167 | 116.4 | 143 | -101.1 | -170.1 | 160 | 137.1 | -5 | 109.5 | ||||
| 528 | T | 23 | Very low | 25.4 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | 48.1 | 104.7 | 101.4 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 529 | S | 23.3 | Very low | 25.5 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | 169.8 | 111.7 | 124.9 | 41.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 530 | Y | 22.2 | Very low | 25.5 | Very low | 241 Ų | 241 | 150.7 Ų | 150.7 | 95% | 0.945 | 76% | 0.757 | S | S | * | * | -135.9 | 111.6 | 129.9 | -106.6 | -81 | 0 | 0 | 0 | 105.3 | |||||
| 531 | Q | 25.7 | Very low | 25.1 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -147.3 | 133.7 | 142.3 | -134 | 172.6 | 5.9 | 0 | 0 | 109.8 | ||||
| 532 | S | 22.4 | Very low | 25 | Very low | 107 Ų | 107 | 157.4 Ų | 157.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 96.8 | 123.8 | 150.4 | -52.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 533 | L | 24.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -100.2 | 132 | 150.2 | -116.1 | 161.8 | 0 | 0 | 0 | 107.9 | ||||
| 534 | T | 24.3 | Very low | 25.2 | Very low | 123 Ų | 123 | 157 Ų | 157 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 158.5 | 130.8 | 148.6 | 31.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 535 | E | 25.5 | Very low | 25.3 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | -173.4 | 161.5 | -3.3 | -148 | 173.3 | -140.2 | 0 | 0 | 105.6 | ||||
| 536 | L | 25.1 | Very low | 25.3 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 99.2 | 115 | 158 | -59 | 166.7 | 0 | 0 | 0 | 122.2 | ||||
| 537 | T | 25.1 | Very low | 25.4 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 69.3 | 132.4 | 141.6 | 50.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 538 | D | 25.6 | Very low | 25.6 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -166.4 | 152 | 29 | -132.4 | -3.9 | 0 | 0 | 0 | 111.9 | ||||
| 539 | N | 26 | Very low | 25.8 | Very low | 129 Ų | 129 | 149 Ų | 149 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | trans | 61.7 | 107.7 | 148.6 | -70.9 | -34.5 | 0 | 0 | 0 | 122.9 | ||||
| 540 | Q | 26.6 | Very low | 26 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | 166.7 | 116.9 | 96.3 | -103.2 | 168.3 | 23.8 | 0 | 0 | 113.9 | |||||
| 541 | Q | 25.2 | Very low | 26.9 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 26.4 | 123.8 | 144.7 | -69.4 | 175.8 | -15.8 | 0 | 0 | 123 | ||||
| 542 | S | 26.2 | Very low | 27.1 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | 167.9 | 116.8 | 116.6 | 39.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 543 | I | 27.5 | Very low | 27.3 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | 59.6 | 115.7 | 86.9 | -61.1 | 171.7 | 0 | 0 | 0 | 109.4 | |||||
| 544 | D | 28.8 | Very low | 27.3 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | cis | -165.6 | 148.4 | 38.1 | -101.3 | -31.4 | 0 | 0 | 0 | 109 | ||||
| 545 | M | 27.5 | Very low | 27.5 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 62.2 | 122.8 | 94.8 | -126.9 | 164 | 46.1 | 0 | 0 | 113.1 | |||||
| 546 | E | 28.6 | Very low | 27.6 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | -177.4 | 178.9 | 54.6 | -90.6 | -160.5 | 132.9 | 0 | 0 | 107.6 | |||||
| 547 | R | 28.3 | Very low | 28.4 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | cis | 179.3 | 150.1 | -31.7 | -173.9 | -174.4 | -172.6 | 172 | 2.2 | 105.4 | ||||
| 548 | S | 26.3 | Very low | 28.5 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | 71.3 | 145.4 | 148.6 | 40.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 549 | K | 26.9 | Very low | 28.6 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | cis | -169.9 | 150.7 | 3.3 | -110.7 | 162.7 | -170.2 | -179.3 | 0 | 109.3 | ||||
| 550 | S | 27.2 | Very low | 28.7 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 174.5 | 158.1 | 50.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 551 | P | 41.4 | Very low | 28.6 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -140.5 | 132.9 | 112.8 | 33.3 | -17.6 | 0 | 0 | 0 | 113.2 | |||||
| 552 | T | 29.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 69 | 98.3 | 80.9 | -35.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 553 | S | 27 | Very low | 28.8 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 79.4 | 123.1 | 89.9 | -166.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 554 | V | 24.9 | Very low | 29.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -140.1 | 137.4 | 149.9 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 555 | K | 29 | Very low | 29.2 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -89.3 | 144.5 | -171.7 | -70.9 | 171.8 | 170.7 | 175.6 | 0 | 114.1 | ||||
| 556 | G | 27.3 | Very low | 29.2 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 49.6 | 170.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 557 | P | 40.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | cis | -131.6 | 171.2 | 22.3 | 38 | -19.3 | 0 | 0 | 0 | 116 | ||||
| 558 | G | 27 | Very low | 29 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -92.5 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 559 | R | 27.9 | Very low | 29 | Very low | 252 Ų | 252 | 141.8 Ų | 141.8 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | -144.7 | 130.3 | 160.9 | -77.2 | -171.6 | 174.1 | 178.2 | -2.3 | 110.6 | ||||
| 560 | K | 27.6 | Very low | 28.9 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 149.4 | 163.2 | -77.1 | 178.2 | 171.7 | -179 | 0 | 109.5 | ||||
| 561 | L | 26 | Very low | 29 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -175.5 | 103.8 | 147.7 | -96.6 | 137.9 | 0 | 0 | 0 | 106.4 | ||||
| 562 | S | 27 | Very low | 28.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | 87.4 | 110.8 | 90 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 563 | L | 29.1 | Very low | 28.2 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -60.5 | 165.5 | 159.1 | -82.7 | 141.8 | 0 | 0 | 0 | 111.5 | ||||
| 564 | P | 34.5 | Very low | 28.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -124.3 | 151 | 125.6 | 27.6 | -13.7 | 0 | 0 | 0 | 113.3 | |||||
| 565 | T | 29.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -94.1 | 155.4 | -179 | -41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 566 | D | 27.8 | Very low | 28.3 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 166.3 | 131.1 | 141.1 | -80.8 | -19.8 | 0 | 0 | 0 | 106.2 | ||||
| 567 | L | 27.2 | Very low | 28.3 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | cis | -157.3 | 153.4 | 42.6 | -151.7 | 76.7 | 0 | 0 | 0 | 109.9 | ||||
| 568 | K | 26 | Very low | 27.6 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -126 | 144 | -173.9 | 174.6 | -179.9 | -177.7 | 177.2 | 0 | 109.3 | ||||
| 569 | T | 25.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | 177.4 | 136.6 | 154.8 | 34.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 570 | D | 25.6 | Very low | 27.8 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | cis | -162.7 | 132.8 | 0.2 | -80.8 | -37 | 0 | 0 | 0 | 106.6 | ||||
| 571 | L | 27.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | 38.2 | 126.8 | 101.9 | -95.4 | 89.9 | 0 | 0 | 0 | 116.5 | |||||
| 572 | D | 27 | Very low | 28.6 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | -160.4 | 132.8 | 72.5 | -83.3 | -37.6 | 0 | 0 | 0 | 112.3 | |||||
| 573 | H | 28.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | 61.1 | 127.6 | 95.5 | -73.9 | -30.8 | 0 | 0 | 0 | 116 | |||||
| 574 | V | 28.2 | Very low | 28.7 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | -177.7 | 143.1 | 67.8 | 165.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 575 | N | 27.9 | Very low | 29.2 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 25.6 | 148.4 | 149.9 | -66 | -18.3 | 0 | 0 | 0 | 126.8 | ||||
| 576 | G | 26 | Very low | 29 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 153.4 | 95.2 | 127.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 577 | H | 27.2 | Very low | 28.9 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | 49.2 | 141 | 139.9 | -81.7 | -64.7 | 0 | 0 | 0 | 127.3 | ||||
| 578 | C | 27 | Very low | 29 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -74.2 | 158.3 | 169.9 | -46.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 579 | T | 29.9 | Very low | 29 | Very low | 148 Ų | 148 | 128 Ų | 128 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -171.3 | 140.8 | 132.3 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 580 | S | 28.3 | Very low | 29.1 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -91.2 | 175.1 | 165.7 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 581 | P | 40.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | -146.4 | 172.9 | 116.8 | 35.1 | -16.7 | 0 | 0 | 0 | 116.6 | |||||
| 582 | T | 29.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -118.1 | 154.4 | -164.7 | -42.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 583 | S | 29.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 167.7 | 114.4 | 130.8 | 59.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 584 | Q | 28.5 | Very low | 30.8 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 17.1 | 175.2 | 131 | -87.5 | -169.5 | -1.8 | 0 | 0 | 125.3 | ||||
| 585 | P | 45.2 | Very low | 30.7 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | cis | -144 | 169.5 | -14.5 | 30.9 | -6.5 | 0 | 0 | 0 | 119.9 | ||||
| 586 | C | 25.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 18.3 | 146.5 | 144.2 | -55.5 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 587 | S | 26.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | 173.9 | -179.1 | 106.9 | 58.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 588 | A | 29.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -133.4 | 169.2 | -133.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 589 | G | 25.9 | Very low | 31.2 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 159.1 | 110.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 590 | K | 26.7 | Very low | 31.5 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -105.2 | 173.9 | 161.1 | -97.8 | -179.3 | -179 | 174.8 | 0 | 107.9 | ||||
| 591 | P | 43 | Very low | 31.4 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | cis | -156.7 | 162.4 | 40.3 | 43.3 | -19.1 | 0 | 0 | 0 | 119.3 | ||||
| 592 | R | 27.8 | Very low | 30.8 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | 82.7 | 106.6 | 114 | -80.3 | -177.1 | -179 | 163.8 | 0.7 | 121.1 | |||||
| 593 | I | 26.1 | Very low | 30.6 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | 66.4 | 168.2 | 107.5 | 3.6 | 178.4 | 0 | 0 | 0 | 118.8 | |||||
| 594 | P | 47.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | cis | -136.4 | -178.3 | -30.7 | 23.9 | -0.1 | 0 | 0 | 0 | 115.8 | ||||
| 595 | M | 26.8 | Very low | 30.4 | Very low | 181 Ų | 181 | 146 Ų | 146 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | trans | 125.9 | 131.4 | 140.8 | -66.8 | -73.5 | -87.6 | 0 | 0 | 117.2 | ||||
| 596 | G | 24.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -83.4 | -151.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 597 | P | 43 | Very low | 29.7 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | cis | -141.2 | -175.4 | 5.2 | 41.8 | -20.4 | 0 | 0 | 0 | 117.5 | ||||
| 598 | E | 26.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | 67.4 | 109.1 | 148.9 | -77.2 | -178.8 | 178.1 | 0 | 0 | 127 | ||||
| 599 | G | 24.5 | Very low | 29.7 | Very low | 78 Ų | 78 | 148.5 Ų | 148.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 69.1 | 166 | 131.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 600 | P | 36.3 | Very low | 29.7 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | -135.5 | 165.3 | -31.3 | 39.7 | -22.1 | 0 | 0 | 0 | 116.4 | ||||
| 601 | R | 26.5 | Very low | 29.8 | Very low | 234 Ų | 234 | 145.7 Ų | 145.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 53.8 | 122.7 | 150.3 | -66.8 | 175.1 | -172.3 | -173.7 | 3.7 | 122.1 | ||||
| 602 | L | 27.9 | Very low | 29 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | -177.1 | 160.2 | 113.5 | -99.1 | 157.4 | 0 | 0 | 0 | 113.6 | |||||
| 603 | T | 25.9 | Very low | 29 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 155 | -164 | 51 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 604 | R | 27.1 | Very low | 28.9 | Very low | 221 Ų | 221 | 154 Ų | 154 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | 155.3 | 128.1 | 101.5 | -149.1 | 175.7 | -167.1 | -154.6 | 4.6 | 113.9 | |||||
| 605 | R | 26.2 | Very low | 27.9 | Very low | 227 Ų | 227 | 153.7 Ų | 153.7 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | 34.3 | 109.7 | 150.6 | -68.9 | -174.6 | 177.4 | -168 | -1.3 | 123 | ||||
| 606 | G | 24 | Very low | 27.9 | Very low | 77 Ų | 77 | 154.4 Ų | 154.4 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | 50.5 | 177.8 | 123.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 607 | P | 31.1 | Very low | 28 | Very low | 137 Ų | 137 | 156.2 Ų | 156.2 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | cis | -127 | 173.3 | -18.9 | 37.2 | -19.7 | 0 | 0 | 0 | 113.2 | ||||
| 608 | G | 27.8 | Very low | 27.1 | Very low | 80 Ų | 80 | 155.5 Ų | 155.5 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -97.8 | 162.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 609 | R | 27.9 | Very low | 26.9 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -119.4 | 160.8 | 157.8 | -104.1 | -170.7 | -176.2 | -149.1 | 3.6 | 108.8 | ||||
| 610 | P | 26.6 | Very low | 26.8 | Very low | 109 Ų | 109 | 153 Ų | 153 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | trans | -102.4 | 166.9 | -150.2 | 38.9 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 611 | P | 28.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -117.8 | 157.8 | 149.6 | 36.2 | -25.1 | 0 | 0 | 0 | 113.4 | ||||
| 612 | F | 25.2 | Very low | 26.4 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 93% | 0.934 | 83% | 0.825 | S | S | * | * | trans | -29.2 | 143.8 | 166.3 | -75.3 | -101.1 | 0 | 0 | 0 | 117.2 | ||||
| 613 | R | 27.7 | Very low | 26.5 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 136.5 | 154.8 | -85.8 | -171.6 | 178 | 174 | 3.4 | 110 | ||
| 614 | K | 24.8 | Very low | 26.5 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.9 | 151.8 | -98.4 | -178.9 | 177.8 | 177.3 | 0 | 109.8 | ||
| 615 | A | 26.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91 | 159.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 616 | Q | 26.7 | Very low | 26.8 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | 163.4 | 154.5 | 138.8 | -90.9 | 179.6 | 0.9 | 0 | 0 | 106.2 | ||||
| 617 | S | 27 | Very low | 26.9 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | cis | 177.4 | 126.8 | -26.6 | 177.8 | 0 | 0 | 0 | 0 | 103 | ||||
| 618 | A | 22.3 | Very low | 26.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | trans | -166.1 | 106.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 619 | A | 23.8 | Very low | 26.7 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -111 | 129.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 620 | C | 22.6 | Very low | 26.6 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 90% | 0.899 | 76% | 0.764 | S | S | * | * | trans | -116.4 | 122.2 | 153.2 | -66.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 621 | M | 28.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -124.6 | 127.3 | 175.3 | -79 | -163.8 | -170.5 | 0 | 0 | 111.5 | ||||
| 622 | E | 26.2 | Very low | 26.5 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -68 | 125.9 | 152.3 | -68.2 | 167.9 | 177.1 | 0 | 0 | 107.8 | ||||
| 623 | I | 28.7 | Very low | 26.4 | Very low | 78 Ų | 78 | 139 Ų | 139 | 40% | 0.4 | 78% | 0.775 | S | S | . | * | S | Bend | trans | -99.9 | 95.4 | 175 | -60.9 | 176 | 0 | 0 | 0 | 107.3 | F805 L807 M851 | I623-F805 HydrophobicContact CD1-CE2 3.92Å; I623-F805 HydrophobicContact CD1-CZ 4.1Å; I623-L807 HydrophobicContact CD1-CD2 3.78Å; I623-M851 HydrophobicContact CD1-CE 4.34Å; I623-M851 HydrophobicContact CG1-CE 4.23Å; I623-M851 HydrophobicContact CG2-CE 4.32Å |
| 624 | S | 27.1 | Very low | 26.5 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 174.5 | 68.3 | 144.7 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 625 | L | 28.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -155.5 | 150.8 | 157.8 | -78.9 | -175.3 | 0 | 0 | 0 | 111.5 | ||||
| 626 | P | 30.5 | Very low | 26.5 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 43% | 0.429 | 76% | 0.76 | S | S | . | * | trans | -88.3 | 162.6 | -179.2 | 33.5 | -31.9 | 0 | 0 | 0 | 114.8 | E316 | E316-P626 WeakPolarHBondContact OE1-CB 3.42Å; E316-P626 WeakPolarHBondContact OE1-CG 3.43Å | ||
| 627 | V | 26.5 | Very low | 26.6 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -92.5 | 133.8 | -172.4 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 628 | S | 27.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -110.2 | 136.1 | 165 | 53.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 629 | H | 26 | Very low | 26.7 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -101.4 | 133.2 | 179.9 | -71.8 | -82.6 | 0 | 0 | 0 | 110.9 | ||||
| 630 | T | 26.4 | Very low | 26.8 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 91% | 0.908 | 73% | 0.732 | S | S | * | * | trans | -149.3 | 139.3 | 159.7 | 36.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 631 | E | 28 | Very low | 27 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | trans | -88.1 | 163.3 | 179.2 | -69.2 | -171.7 | 146.3 | 0 | 0 | 113.8 | ||||
| 632 | E | 24.6 | Very low | 26.9 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 95% | 0.949 | 74% | 0.743 | S | S | * | * | trans | -66.7 | 142.4 | -170.4 | -69.1 | -175.6 | 145.4 | 0 | 0 | 117 | ||||
| 633 | S | 24.4 | Very low | 26.9 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -146 | 146.8 | 143.9 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 634 | R | 29.9 | Very low | 27 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -75.5 | 145.2 | -168.2 | -71.8 | 170.6 | 158.9 | 160.2 | -2.2 | 113.5 | ||||
| 635 | E | 26 | Very low | 26.9 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | -179.7 | 142 | 121.6 | -98.4 | 169.1 | -167.6 | 0 | 0 | 112.7 | F518 | F518-E635 WeakPolarHBondContact CD2-O 3.4Å; F518-E635 WeakPolarHBondContact CE2-O 3.29Å | |||
| 636 | N | 26.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -88.3 | 138.7 | -172 | -78.4 | -30.6 | 0 | 0 | 0 | 112.8 | ||||
| 637 | S | 27.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | -166.9 | 137.3 | 134.7 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 638 | F | 25.3 | Very low | 27.4 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 42% | 0.421 | 80% | 0.796 | S | S | . | * | trans | -110 | 144.3 | -178 | -58.5 | -43.7 | 0 | 0 | 0 | 111.5 | Y519 S520 D521 | Y519-F638 WeakPolarHBondContact O-CD1 3.19Å; Y519-F638 WeakPolarHBondContact O-CE1 3.47Å; S520-F638 WeakPolarHBondContact O-CB 3.36Å; S520-F638 WeakPolarHBondContact O-CD1 3.49Å; S520-F638 WeakPolarHBondContact O-CE1 3.34Å; S520-F638 WeakPolarHBondContact O-CG 3.47Å; D521-F638 HydrophobicContact CB-CD1 4.36Å; D521-F638 HydrophobicContact CB-CD2 3.76Å; D521-F638 HydrophobicContact CB-CE1 3.99Å; D521-F638 HydrophobicContact CB-CE2 3.33Å; D521-F638 HydrophobicContact CB-CG 4.26Å; D521-F638 HydrophobicContact CB-CZ 3.45Å; D521-F638 VanDerWaalsContact CB-CZ 3.45Å | ||
| 639 | S | 26 | Very low | 27.6 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -137.5 | 133.3 | 151.7 | 63.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 640 | R | 26.8 | Very low | 27.8 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 147.2 | -171.6 | -73.3 | 170.1 | 161.8 | 173.4 | -5.8 | 111.1 | S522 | S522-R640 PolarHBondContact OG-NH2 2.76Š| ||
| 641 | S | 25.9 | Very low | 28.4 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -156.5 | 142.1 | 142.9 | -81.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 642 | R | 26.1 | Very low | 29.1 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -100.4 | 134.3 | -173.4 | -69 | 166.9 | 156.1 | 174.5 | -8.8 | 109.4 | ||||
| 643 | S | 27 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -167.5 | 146.2 | 133 | -150.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 644 | S | 30.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -115.8 | 128.5 | -173.3 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 645 | S | 26 | Very low | 35.6 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -160.1 | 120.8 | 158.6 | 36.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 646 | V | 36 | Very low | 38.8 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -93 | 94.1 | 179.3 | -169.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 647 | S | 28.9 | Very low | 42.2 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | trans | -174 | 126.3 | 168.7 | 44.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 648 | S | 30.7 | Very low | 45.4 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | trans | 60.7 | 80.9 | 178.3 | 72.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 649 | I | 30.9 | Very low | 48.9 | Very low | 151 Ų | 151 | 110.8 Ų | 110.8 | 77% | 0.774 | 61% | 0.611 | S | S | * | * | trans | -91.8 | 98.7 | 143.7 | -94.8 | 169.5 | 0 | 0 | 0 | 105.4 | R651 | I649-R651 VanDerWaalsContact C-N 3.32Å; I649-R651 HydrophobicContact CG2-CB 4.32Å; I649-R651 HydrophobicContact CG2-CG 3.74Å; I649-R651 PolarHBondContact O-N 3.13Å; I649-R651 VanDerWaalsContact O-N 3.11Å | ||
| 650 | D | 31.5 | Very low | 52.3 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | trans | -63.8 | 100.7 | 154.7 | -81.1 | -32.1 | 0 | 0 | 0 | 105.8 | D652 | D650-D652 PolarHBondContact O-N 2.84Š| ||
| 651 | R | 38.8 | Very low | 55.6 | Low | 191 Ų | 191 | 97.4 Ų | 97.4 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | trans | -82.9 | 104.8 | 162.8 | -100.3 | -175.1 | 171.1 | -148.3 | -5.9 | 106.1 | I649 T653 | I649-R651 VanDerWaalsContact C-N 3.32Å; I649-R651 HydrophobicContact CG2-CB 4.32Å; I649-R651 HydrophobicContact CG2-CG 3.74Å; I649-R651 PolarHBondContact O-N 3.13Å; I649-R651 VanDerWaalsContact O-N 3.11Å; R651-T653 VanDerWaalsContact C-N 3.29Å; R651-T653 PolarHBondContact O-N 2.85Å | ||
| 652 | D | 41 | Very low | 58.9 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 69% | 0.69 | 50% | 0.5 | S | S | * | . | trans | -55.5 | 87.6 | 168.2 | -71 | -46.9 | 0 | 0 | 0 | 109.9 | D650 K654 | D650-D652 PolarHBondContact O-N 2.84Å; D652-K654 PolarHBondContact O-N 3.41Å; D652-K654 VanDerWaalsContact O-N 3.09Å | ||
| 653 | T | 53.4 | Low | 62 | Low | 104 Ų | 104 | 79.4 Ų | 79.4 | 64% | 0.638 | 46% | 0.457 | S | S | * | . | trans | -76.1 | 96.9 | 170.5 | 51.3 | 0 | 0 | 0 | 0 | 108.2 | R651 E655 | R651-T653 VanDerWaalsContact C-N 3.29Å; R651-T653 PolarHBondContact O-N 2.85Å; T653-E655 PolarHBondContact O-N 2.93Å | ||
| 654 | K | 74.8 | Confident | 65 | Low | 158 Ų | 158 | 75.3 Ų | 75.3 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | trans | -60.5 | 122.2 | 169.6 | -72.4 | -173.8 | 178.4 | -177.1 | 0 | 108.9 | D652 | D652-K654 PolarHBondContact O-N 3.41Å; D652-K654 VanDerWaalsContact O-N 3.09Å | ||
| 655 | E | 88.5 | Confident | 67.8 | Low | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | trans | -68.8 | 144.9 | 173.4 | 176 | 156.8 | -133.7 | 0 | 0 | 111 | C464 Y487 R495 T653 T682 L684 | C464-E655 CarbonylContact C-O 3.52Å; C464-E655 WeakPolarHBondContact CA-O 3.44Å; Y487-E655 WeakPolarHBondContact CE2-OE2 3.37Å; Y487-E655 PolarHBondContact OH-OE1 2.55Å; Y487-E655 PolarHBondContact OH-OE2 3Å; R495-E655 IonicContact CZ-OE2 3.18Å; R495-E655 IonicContact NH2-OE2 3.57Å; R495-E655 PolarHBondContact NH2-OE2 2.93Å; T653-E655 PolarHBondContact O-N 2.93Å; E655-T682 WeakPolarHBondContact OE1-CB 3.34Å; E655-T682 PolarHBondContact OE1-OG1 2.88Å; E655-L684 HydrophobicContact CB-CD1 4.02Å; E655-L684 HydrophobicContact CB-CG 4.18Å; E655-L684 HydrophobicContact CG-CD1 4.2Å; E655-L684 HydrophobicContact CG-CG 4.13Å | ||
| 656 | A | 92.8 | Very high | 70.8 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | trans | -136.1 | 151.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C464 T658 T682 S683 | C464-A656 HydrophobicContact CB-CB 3.98Å; A656-T658 PolarHBondContact O-N 3.24Å; A656-T682 CarbonylContact O-C 3.57Å; A656-T682 VanDerWaalsContact O-CA 3.25Å; A656-T682 WeakPolarHBondContact O-CA 3.27Å; A656-S683 PolarHBondContact N-OG 3.27Å; A656-S683 PolarHBondContact O-N 3.13Å | ||
| 657 | I | 96.6 | Very high | 72.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 110.6 | 172.6 | -51 | -56.1 | 0 | 0 | 0 | 109.2 | T448 S449 N463 L467 T483 L486 L660 V680 T682 | T448-I657 WeakPolarHBondContact CB-O 3.44Å; T448-I657 PolarHBondContact OG1-O 2.65Å; S449-I657 VanDerWaalsContact OG-CG2 3.31Å; S449-I657 WeakPolarHBondContact OG-CG2 3.38Å; S449-I657 PolarHBondContact OG-O 3.23Å; N463-I657 PolarHBondContact O-N 3.32Å; N463-I657 VanDerWaalsContact O-N 3.14Å; L467-I657 HydrophobicContact CB-CG1 4.4Å; T483-I657 HydrophobicContact CG2-CD1 4.18Å; T483-I657 HydrophobicContact CG2-CG1 4.38Å; L486-I657 HydrophobicContact CD2-CD1 3.7Å; I657-L660 HydrophobicContact CG2-CD1 4.34Å; I657-L660 HydrophobicContact CG2-CD2 3.77Å; I657-L660 HydrophobicContact CG2-CG 3.95Å; I657-V680 HydrophobicContact CD1-CG1 3.9Å; I657-V680 HydrophobicContact CG2-CG1 3.88Å; I657-T682 HydrophobicContact CD1-CG2 4.19Å |
| 658 | T | 96.4 | Very high | 75.4 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.233 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -23 | -169.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | A656 G681 T682 S720 V721 | A656-T658 PolarHBondContact O-N 3.24Å; T658-G681 PolarHBondContact N-O 3.33Å; T658-G681 PolarHBondContact OG1-O 3.1Å; T658-T682 VanDerWaalsContact OG1-C 3.31Å; T658-T682 PolarHBondContact OG1-O 2.6Å; T658-S720 WeakPolarHBondContact CG2-OG 3.46Å; T658-V721 WeakPolarHBondContact CB-O 3.39Å; T658-V721 PolarHBondContact OG1-O 2.8Å |
| 659 | T | 97.4 | Very high | 77.8 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145 | 177.8 | -168 | 0 | 0 | 0 | 0 | 111.3 | G681 V721 L722 F724 | T659-G681 PolarHBondContact N-O 2.82Å; T659-G681 PolarHBondContact O-N 3.11Å; T659-V721 HydrophobicContact CG2-CB 4Å; T659-V721 HydrophobicContact CG2-CG1 3.61Å; T659-L722 WeakPolarHBondContact CB-O 3.49Å; T659-L722 PolarHBondContact OG1-O 3.33Å; T659-L722 VanDerWaalsContact OG1-O 3.09Å; T659-F724 HydrophobicContact CG2-CD2 4.07Å; T659-F724 HydrophobicContact CG2-CE2 3.48Å; T659-F724 VanDerWaalsContact CG2-CE2 3.48Å; T659-F724 HydrophobicContact CG2-CZ 3.74Å |
| 660 | L | 97.9 | Very high | 80 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.8 | -178.6 | -69 | 171.6 | 0 | 0 | 0 | 108.4 | S449 D451 A460 L467 I657 L678 W679 V680 | S449-L660 WeakPolarHBondContact OG-CD1 3.13Å; D451-L660 HydrophobicContact CB-CB 3.9Å; D451-L660 WeakPolarHBondContact CB-O 3.32Å; A460-L660 HydrophobicContact CB-CD1 4.11Å; L467-L660 HydrophobicContact CD1-CD1 3.89Å; L467-L660 HydrophobicContact CD1-CD2 3.63Å; L467-L660 HydrophobicContact CD1-CG 4.43Å; I657-L660 HydrophobicContact CG2-CD1 4.34Å; I657-L660 HydrophobicContact CG2-CD2 3.77Å; I657-L660 HydrophobicContact CG2-CG 3.95Å; L660-L678 HydrophobicContact CB-CD1 4.35Å; L660-L678 HydrophobicContact CD2-CD1 4.21Å; L660-L678 HydrophobicContact CD2-CD2 4.42Å; L660-L678 HydrophobicContact CD2-CG 4.44Å; L660-W679 WeakPolarHBondContact CA-O 3.48Å; L660-V680 HydrophobicContact CD2-CB 4.2Å; L660-V680 HydrophobicContact CD2-CG1 4.01Å; L660-V680 HydrophobicContact CD2-CG2 3.9Å |
| 661 | Q | 96.8 | Very high | 82.4 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 123 | 172.3 | -167.1 | 165.4 | -25.9 | 0 | 0 | 112.3 | D451 W679 F724 F726 | D451-Q661 VanDerWaalsContact OD2-CA 3.3Å; D451-Q661 WeakPolarHBondContact OD2-CA 3.19Å; Q661-W679 PolarHBondContact N-O 2.57Å; Q661-W679 WeakPolarHBondContact O-CB 3.48Å; Q661-W679 PolarHBondContact O-N 2.8Å; Q661-F724 HydrophobicContact CB-CB 4.36Å; Q661-F724 HydrophobicContact CB-CD2 3.85Å; Q661-F724 PolarHBondContact OE1-O 2.83Å; Q661-F726 HydrophobicContact CG-CE2 4.01Å; Q661-F726 VanDerWaalsContact NE2-CE2 3.33Å |
| 662 | F | 95.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 138.2 | 167.9 | -71.3 | -72.6 | 0 | 0 | 0 | 110.9 | D451 N453 Y456 L458 A460 V469 C677 L678 L692 S736 | D451-F662 HydrophobicContact CB-CD2 4.28Å; D451-F662 VanDerWaalsContact OD2-CD2 3.27Å; D451-F662 WeakPolarHBondContact OD2-CD2 3.29Å; D451-F662 PolarHBondContact OD2-N 2.89Å; N453-F662 HydrophobicContact CB-CB 3.69Å; N453-F662 HydrophobicContact CB-CD2 3.73Å; N453-F662 HydrophobicContact CB-CG 3.84Å; Y456-F662 HydrophobicContact CD2-CB 4.1Å; Y456-F662 HydrophobicContact CD2-CD1 4.14Å; Y456-F662 HydrophobicContact CD2-CG 4.3Å; Y456-F662 HydrophobicContact CE2-CB 4.08Å; L458-F662 HydrophobicContact CB-CE1 4.04Å; L458-F662 HydrophobicContact CB-CE2 4.17Å; L458-F662 HydrophobicContact CB-CZ 3.67Å; L458-F662 HydrophobicContact CD1-CE1 4.02Å; L458-F662 HydrophobicContact CD1-CZ 4.43Å; A460-F662 HydrophobicContact CB-CE2 3.73Å; A460-F662 HydrophobicContact CB-CZ 3.62Å; V469-F662 HydrophobicContact CG1-CZ 4.2Å; F662-C677 WeakPolarHBondContact CA-O 3.11Å; F662-L678 HydrophobicContact CD1-CB 4.07Å; F662-L678 HydrophobicContact CD1-CD1 3.98Å; F662-L678 HydrophobicContact CD2-CD1 4.35Å; F662-L678 HydrophobicContact CE1-CB 3.99Å; F662-L678 HydrophobicContact CE1-CD1 3.94Å; F662-L678 HydrophobicContact CE1-CD2 4.49Å; F662-L678 HydrophobicContact CE1-CG 4.37Å; F662-L678 HydrophobicContact CE2-CD1 4.31Å; F662-L678 HydrophobicContact CG-CD1 4.19Å; F662-L678 HydrophobicContact CZ-CD1 4.12Å; F662-L692 HydrophobicContact CD1-CD1 3.96Å; F662-L692 HydrophobicContact CE1-CD1 3.66Å; F662-S736 PolarHBondContact O-OG 3.03Å; F662-S736 VanDerWaalsContact O-OG 3.11Å |
| 663 | G | 91 | Very high | 86.4 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 168.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S665 C677 | G663-S665 PolarHBondContact O-N 2.91Å; G663-C677 PolarHBondContact N-O 2.86Å; G663-C677 PolarHBondContact O-N 2.98Å; G663-C677 VanDerWaalsContact O-O 3.14Å |
| 664 | E | 88.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.4 | 172.5 | -65.5 | -175.4 | 171.5 | 0 | 0 | 109.2 | Y456 H760 S762 | Y456-E664 WeakPolarHBondContact OH-CG 3.09Å; E664-H760 IonicContact OE1-ND1 3.39Å; E664-H760 PolarHBondContact OE1-ND1 2.86Å; E664-S762 PolarHBondContact OE1-OG 3.31Å; E664-S762 WeakPolarHBondContact OE2-CB 3.33Å; E664-S762 PolarHBondContact OE2-OG 2.8Å |
| 665 | S | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 169.7 | -178.9 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | G663 P674 T675 C677 W679 H774 | G663-S665 PolarHBondContact O-N 2.91Å; S665-P674 CarbonylContact O-C 3.6Å; S665-P674 WeakPolarHBondContact O-CA 3.08Å; S665-T675 PolarHBondContact N-O 3.13Å; S665-T675 PolarHBondContact O-N 2.7Å; S665-C677 PolarHBondContact O-SG 3.15Å; S665-W679 VanDerWaalsContact OG-CZ2 3.28Å; S665-W679 WeakPolarHBondContact OG-CZ2 3.35Å; S665-W679 PolarHBondContact OG-NE1 3.23Å; S665-H774 PolarHBondContact OG-CE1 3.25Å |
| 666 | Y | 88.4 | Confident | 88.7 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | trans | -92.2 | 104.5 | 174.7 | -57.7 | -95.1 | 0 | 0 | 0 | 108.7 | R668 D671 P674 L689 H774 M789 P790 | Y666-R668 PolarHBondContact O-N 2.8Å; Y666-D671 HydrophobicContact CD1-CB 4.38Å; Y666-D671 WeakPolarHBondContact CD1-O 3.41Å; Y666-P674 HydrophobicContact CE1-CB 4.41Å; Y666-P674 HydrophobicContact CE2-CB 4.23Å; Y666-L689 WeakPolarHBondContact O-CD2 3.41Å; Y666-H774 AromaticContact CD2-CE1 3.73Å; Y666-H774 AromaticContact CD2-ND1 3.59Å; Y666-H774 AromaticContact CE2-ND1 3.49Å; Y666-H774 WeakPolarHBondContact CE2-ND1 3.41Å; Y666-M789 HydrophobicContact CD2-CB 3.64Å; Y666-M789 HydrophobicContact CE2-CB 4.31Å; Y666-M789 HydrophobicContact CG-CB 4.45Å; Y666-M789 VanDerWaalsContact O-CE 3.26Å; Y666-M789 WeakPolarHBondContact O-CE 3.42Å; Y666-P790 HydrophobicContact CD1-CB 3.75Å; Y666-P790 HydrophobicContact CD1-CG 4.13Å; Y666-P790 HydrophobicContact CD2-CB 4.37Å; Y666-P790 HydrophobicContact CE1-CB 4.5Å; Y666-P790 HydrophobicContact CE1-CG 4.42Å; Y666-P790 HydrophobicContact CG-CB 3.67Å; Y666-P790 HydrophobicContact CG-CG 4.38Å | ||
| 667 | G | 81.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -58.7 | -36.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D671 G712 A713 | G667-D671 WeakPolarHBondContact CA-OD2 3.27Å; G667-D671 PolarHBondContact N-OD2 2.9Å; G667-D671 VanDerWaalsContact N-OD2 3.16Å; G667-G712 WeakPolarHBondContact O-CA 3.47Å; G667-A713 PolarHBondContact O-N 3.08Å |
| 668 | R | 81.6 | Confident | 88.7 | Confident | 125 Ų | 125 | 40.9 Ų | 40.9 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -129.6 | 157.4 | -176.3 | -58.6 | 172.7 | -65 | -165.7 | -1.7 | 111.4 | Y666 S670 D671 | Y666-R668 PolarHBondContact O-N 2.8Å; R668-S670 PolarHBondContact O-N 3.23Å; R668-D671 IonicContact CZ-OD1 3.62Å; R668-D671 PolarHBondContact N-OD2 3.28Å; R668-D671 IonicContact NE-OD1 3.45Å; R668-D671 PolarHBondContact NE-OD1 2.81Å; R668-D671 IonicContact NE-OD2 3.86Å; R668-D671 IonicContact NH2-OD1 3.71Å; R668-D671 PolarHBondContact NH2-OD1 3.08Å; R668-D671 PolarHBondContact O-N 2.82Å; R668-D671 VanDerWaalsContact O-N 3.1Å |
| 669 | K | 80.6 | Confident | 88.7 | Confident | 133 Ų | 133 | 39.3 Ų | 39.3 | 58% | 0.578 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.7 | -176.6 | -69.5 | -176.4 | 179.4 | 179.7 | 0 | 115 | P790 Q792 | K669-P790 WeakPolarHBondContact CA-O 3.32Å; K669-Q792 HydrophobicContact CG-CG 4.37Å; K669-Q792 VanDerWaalsContact CG-OE1 3.28Å |
| 670 | S | 77.3 | Confident | 88.7 | Confident | 108 Ų | 108 | 38.6 Ų | 38.6 | 76% | 0.755 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 8.1 | -177.3 | 62 | 0 | 0 | 0 | 0 | 113.4 | R668 A672 | R668-S670 PolarHBondContact O-N 3.23Å; S670-A672 PolarHBondContact O-N 2.91Å |
| 671 | D | 82.2 | Confident | 88.6 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | trans | -67.3 | 129.7 | 178.1 | -72.9 | -19.9 | 0 | 0 | 0 | 109.3 | Y666 G667 R668 | Y666-D671 HydrophobicContact CD1-CB 4.38Å; Y666-D671 WeakPolarHBondContact CD1-O 3.41Å; G667-D671 WeakPolarHBondContact CA-OD2 3.27Å; G667-D671 PolarHBondContact N-OD2 2.9Å; G667-D671 VanDerWaalsContact N-OD2 3.16Å; R668-D671 IonicContact CZ-OD1 3.62Å; R668-D671 PolarHBondContact N-OD2 3.28Å; R668-D671 IonicContact NE-OD1 3.45Å; R668-D671 PolarHBondContact NE-OD1 2.81Å; R668-D671 IonicContact NE-OD2 3.86Å; R668-D671 IonicContact NH2-OD1 3.71Å; R668-D671 PolarHBondContact NH2-OD1 3.08Å; R668-D671 PolarHBondContact O-N 2.82Å; R668-D671 VanDerWaalsContact O-N 3.1Å | ||
| 672 | A | 79.9 | Confident | 88.6 | Confident | 93 Ų | 93 | 36.9 Ų | 36.9 | 77% | 0.769 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -79.6 | -23.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S670 | S670-A672 PolarHBondContact O-N 2.91Š|
| 673 | L | 83.1 | Confident | 88.6 | Confident | 105 Ų | 105 | 38.6 Ų | 38.6 | 55% | 0.55 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -135.4 | 147.2 | -177 | -67.1 | 173.1 | 0 | 0 | 0 | 110 | F770 | L673-F770 HydrophobicContact CD2-CE1 4.37Š|
| 674 | P | 85.7 | Confident | 88.6 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | trans | -68.8 | 144.5 | 170.7 | 30.6 | -33.5 | 0 | 0 | 0 | 110.3 | S665 Y666 | S665-P674 CarbonylContact O-C 3.6Å; S665-P674 WeakPolarHBondContact O-CA 3.08Å; Y666-P674 HydrophobicContact CE1-CB 4.41Å; Y666-P674 HydrophobicContact CE2-CB 4.23Å | ||
| 675 | T | 87.6 | Confident | 88.8 | Confident | 52 Ų | 52 | 38.5 Ų | 38.5 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.1 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | S665 C677 | S665-T675 PolarHBondContact N-O 3.13Å; S665-T675 PolarHBondContact O-N 2.7Å; T675-C677 PolarHBondContact O-N 3.41Å; T675-C677 PolarHBondContact O-SG 3.46Å |
| 676 | P | 91.4 | Very high | 89 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 126.6 | 168.6 | -26.6 | 36.4 | 0 | 0 | 0 | 110.7 | Y456 L692 I694 | Y456-P676 HydrophobicContact CD2-CB 4.5Å; Y456-P676 HydrophobicContact CE1-CB 4.17Å; Y456-P676 HydrophobicContact CE1-CG 4.15Å; Y456-P676 HydrophobicContact CE2-CB 3.91Å; P676-L692 HydrophobicContact CB-CB 4.25Å; P676-L692 WeakPolarHBondContact O-CA 3.46Å; P676-L692 WeakPolarHBondContact O-CB 3.48Å; P676-L692 PolarHBondContact O-N 3.46Å; P676-I694 HydrophobicContact CB-CD1 3.6Å; P676-I694 HydrophobicContact CB-CG1 4.17Å; P676-I694 HydrophobicContact CG-CD1 3.9Å; P676-I694 HydrophobicContact CG-CG1 4.27Å |
| 677 | C | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.4 | -180 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | F662 G663 S665 T675 I690 | F662-C677 WeakPolarHBondContact CA-O 3.11Å; G663-C677 PolarHBondContact N-O 2.86Å; G663-C677 PolarHBondContact O-N 2.98Å; G663-C677 VanDerWaalsContact O-O 3.14Å; S665-C677 PolarHBondContact O-SG 3.15Å; T675-C677 PolarHBondContact O-N 3.41Å; T675-C677 PolarHBondContact O-SG 3.46Å; C677-I690 CarbonylContact C-O 3.52Å; C677-I690 WeakPolarHBondContact CA-O 3.38Å |
| 678 | L | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.6 | 163.1 | 176.7 | 64.2 | 0 | 0 | 0 | 109.1 | A460 L467 V469 L660 F662 V680 I690 L692 | A460-L678 HydrophobicContact CB-CD1 3.9Å; A460-L678 HydrophobicContact CB-CD2 3.72Å; A460-L678 HydrophobicContact CB-CG 4.49Å; L467-L678 HydrophobicContact CD1-CD2 4.34Å; L467-L678 HydrophobicContact CD2-CD2 4.14Å; V469-L678 HydrophobicContact CG2-CD2 3.58Å; L660-L678 HydrophobicContact CB-CD1 4.35Å; L660-L678 HydrophobicContact CD2-CD1 4.21Å; L660-L678 HydrophobicContact CD2-CD2 4.42Å; L660-L678 HydrophobicContact CD2-CG 4.44Å; F662-L678 HydrophobicContact CD1-CB 4.07Å; F662-L678 HydrophobicContact CD1-CD1 3.98Å; F662-L678 HydrophobicContact CD2-CD1 4.35Å; F662-L678 HydrophobicContact CE1-CB 3.99Å; F662-L678 HydrophobicContact CE1-CD1 3.94Å; F662-L678 HydrophobicContact CE1-CD2 4.49Å; F662-L678 HydrophobicContact CE1-CG 4.37Å; F662-L678 HydrophobicContact CE2-CD1 4.31Å; F662-L678 HydrophobicContact CG-CD1 4.19Å; F662-L678 HydrophobicContact CZ-CD1 4.12Å; L678-V680 HydrophobicContact CD2-CG2 4.22Å; L678-V680 HydrophobicContact CG-CG2 4Å; L678-I690 HydrophobicContact CB-CB 4.3Å; L678-I690 PolarHBondContact N-O 2.81Å; L678-I690 PolarHBondContact O-N 3.14Å; L678-L692 HydrophobicContact CB-CD1 4.39Å |
| 679 | W | 96.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.4 | 169.4 | -72 | 71.4 | 0 | 0 | 0 | 109.7 | L660 Q661 S665 V687 L689 F724 F726 A776 V778 M789 | L660-W679 WeakPolarHBondContact CA-O 3.48Å; Q661-W679 PolarHBondContact N-O 2.57Å; Q661-W679 WeakPolarHBondContact O-CB 3.48Å; Q661-W679 PolarHBondContact O-N 2.8Å; S665-W679 VanDerWaalsContact OG-CZ2 3.28Å; S665-W679 WeakPolarHBondContact OG-CZ2 3.35Å; S665-W679 PolarHBondContact OG-NE1 3.23Å; W679-V687 HydrophobicContact CE3-CG1 3.61Å; W679-V687 HydrophobicContact CZ3-CG1 3.86Å; W679-L689 HydrophobicContact CD2-CD1 3.99Å; W679-L689 HydrophobicContact CD2-CD2 4.36Å; W679-L689 HydrophobicContact CD2-CG 3.88Å; W679-L689 HydrophobicContact CE3-CD1 3.74Å; W679-L689 HydrophobicContact CE3-CG 4.17Å; W679-L689 HydrophobicContact CG-CG 4.39Å; W679-L689 HydrophobicContact CH2-CD1 3.97Å; W679-L689 HydrophobicContact CH2-CD2 4.09Å; W679-L689 HydrophobicContact CH2-CG 4.33Å; W679-L689 HydrophobicContact CZ2-CD1 4.23Å; W679-L689 HydrophobicContact CZ2-CD2 3.66Å; W679-L689 HydrophobicContact CZ2-CG 4.08Å; W679-L689 HydrophobicContact CZ3-CD1 3.72Å; W679-L689 HydrophobicContact CZ3-CG 4.38Å; W679-F724 HydrophobicContact CB-CD2 3.84Å; W679-F724 HydrophobicContact CB-CE2 3.73Å; W679-F724 HydrophobicContact CB-CG 4.33Å; W679-F724 HydrophobicContact CB-CZ 4.17Å; W679-F724 HydrophobicContact CE3-CD1 4.12Å; W679-F724 HydrophobicContact CE3-CE1 4.1Å; W679-F726 AromaticContact CD1-CZ 3.56Å; W679-F726 AromaticContact CD2-CE1 3.92Å; W679-F726 HydrophobicContact CD2-CE1 3.92Å; W679-F726 AromaticContact CD2-CZ 3.91Å; W679-F726 HydrophobicContact CD2-CZ 3.91Å; W679-F726 AromaticContact CE2-CE1 3.38Å; W679-F726 AromaticContact CE2-CZ 3.71Å; W679-F726 HydrophobicContact CG-CE1 4.31Å; W679-F726 AromaticContact CG-CZ 3.83Å; W679-F726 HydrophobicContact CG-CZ 3.83Å; W679-F726 HydrophobicContact CH2-CE1 4.26Å; W679-F726 HydrophobicContact CZ2-CD1 4.44Å; W679-F726 AromaticContact CZ2-CE1 3.57Å; W679-F726 HydrophobicContact CZ2-CE1 3.57Å; W679-F726 HydrophobicContact CZ2-CZ 4.36Å; W679-F726 AromaticContact NE1-CE1 3.47Å; W679-F726 AromaticContact NE1-CZ 3.45Å; W679-A776 HydrophobicContact CH2-CB 3.41Å; W679-A776 VanDerWaalsContact CH2-CB 3.41Å; W679-A776 HydrophobicContact CZ2-CB 3.94Å; W679-A776 HydrophobicContact CZ3-CB 4.16Å; W679-V778 HydrophobicContact CZ3-CG2 4.47Å; W679-M789 HydrophobicContact CH2-CE 4.24Å; W679-M789 HydrophobicContact CH2-SD 4.3Å; W679-M789 HydrophobicContact CZ2-CE 4.23Å |
| 680 | V | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.7 | -175.5 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | L467 L486 I657 L660 L678 V687 I688 I690 | L467-V680 HydrophobicContact CD2-CG1 4.22Å; L467-V680 HydrophobicContact CD2-CG2 3.63Å; L486-V680 HydrophobicContact CD2-CG1 4.42Å; I657-V680 HydrophobicContact CD1-CG1 3.9Å; I657-V680 HydrophobicContact CG2-CG1 3.88Å; L660-V680 HydrophobicContact CD2-CB 4.2Å; L660-V680 HydrophobicContact CD2-CG1 4.01Å; L660-V680 HydrophobicContact CD2-CG2 3.9Å; L678-V680 HydrophobicContact CD2-CG2 4.22Å; L678-V680 HydrophobicContact CG-CG2 4Å; V680-V687 CarbonylContact O-C 3.5Å; V680-V687 VanDerWaalsContact O-CA 3.25Å; V680-V687 WeakPolarHBondContact O-CA 3.49Å; V680-I688 HydrophobicContact CB-CB 4.3Å; V680-I688 PolarHBondContact N-O 3.44Å; V680-I688 PolarHBondContact O-N 2.88Å; V680-I690 HydrophobicContact CG2-CD1 3.9Å; V680-I690 HydrophobicContact CG2-CG1 4.34Å |
| 681 | G | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T658 T659 V686 | T658-G681 PolarHBondContact N-O 3.33Å; T658-G681 PolarHBondContact OG1-O 3.1Å; T659-G681 PolarHBondContact N-O 2.82Å; T659-G681 PolarHBondContact O-N 3.11Å; G681-V686 CarbonylContact C-O 3.57Å; G681-V686 WeakPolarHBondContact CA-O 3.29Å |
| 682 | T | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 163.4 | -177.7 | 82.4 | 0 | 0 | 0 | 0 | 113.7 | L486 E655 A656 I657 T658 L684 G685 V686 V721 | L486-T682 HydrophobicContact CD2-CG2 4.06Å; E655-T682 WeakPolarHBondContact OE1-CB 3.34Å; E655-T682 PolarHBondContact OE1-OG1 2.88Å; A656-T682 CarbonylContact O-C 3.57Å; A656-T682 VanDerWaalsContact O-CA 3.25Å; A656-T682 WeakPolarHBondContact O-CA 3.27Å; I657-T682 HydrophobicContact CD1-CG2 4.19Å; T658-T682 VanDerWaalsContact OG1-C 3.31Å; T658-T682 PolarHBondContact OG1-O 2.6Å; T682-L684 PolarHBondContact O-N 2.85Å; T682-L684 PolarHBondContact OG1-N 3.16Å; T682-G685 PolarHBondContact O-N 3.14Å; T682-V686 HydrophobicContact CG2-CB 4.15Å; T682-V686 PolarHBondContact N-O 2.72Å; T682-V686 WeakPolarHBondContact OG1-CB 3.29Å; T682-V686 WeakPolarHBondContact OG1-CG2 3.32Å; T682-V686 PolarHBondContact OG1-N 3.16Å; T682-V721 PolarHBondContact O-N 2.97Å |
| 683 | S | 95 | Very high | 92.8 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.6 | 175.8 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | A656 G685 S720 | A656-S683 PolarHBondContact N-OG 3.27Å; A656-S683 PolarHBondContact O-N 3.13Å; S683-G685 VanDerWaalsContact C-N 3.28Å; S683-S720 WeakPolarHBondContact O-CA 3.23Å |
| 684 | L | 92.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 15.6 Ų | 15.6 | 22% | 0.215 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.4 | 174.3 | -59.8 | -174.5 | 0 | 0 | 0 | 113.1 | Y493 E655 T682 V686 | Y493-L684 HydrophobicContact CD2-CD1 3.95Å; Y493-L684 HydrophobicContact CE2-CB 3.98Å; Y493-L684 HydrophobicContact CE2-CD1 3.74Å; Y493-L684 PolarHBondContact OH-O 3.05Å; E655-L684 HydrophobicContact CB-CD1 4.02Å; E655-L684 HydrophobicContact CB-CG 4.18Å; E655-L684 HydrophobicContact CG-CD1 4.2Å; E655-L684 HydrophobicContact CG-CG 4.13Å; T682-L684 PolarHBondContact O-N 2.85Å; T682-L684 PolarHBondContact OG1-N 3.16Å; L684-V686 HydrophobicContact CB-CG2 4.18Å |
| 685 | G | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 83.9 | 17.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T682 S683 M716 L717 G719 | T682-G685 PolarHBondContact O-N 3.14Å; S683-G685 VanDerWaalsContact C-N 3.28Å; G685-M716 CarbonylContact O-C 3.57Å; G685-L717 PolarHBondContact O-N 2.84Å; G685-G719 WeakPolarHBondContact CA-O 3.35Å |
| 686 | V | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.1 | 178.7 | -164.4 | 0 | 0 | 0 | 0 | 110.3 | Y487 Y493 G681 T682 L684 I688 V714 Q715 M716 | Y487-V686 HydrophobicContact CD1-CG1 4.49Å; Y487-V686 HydrophobicContact CE1-CB 4.17Å; Y487-V686 HydrophobicContact CE1-CG1 3.65Å; Y487-V686 HydrophobicContact CE1-CG2 4.18Å; Y493-V686 HydrophobicContact CE2-CG2 4.01Å; G681-V686 CarbonylContact C-O 3.57Å; G681-V686 WeakPolarHBondContact CA-O 3.29Å; T682-V686 HydrophobicContact CG2-CB 4.15Å; T682-V686 PolarHBondContact N-O 2.72Å; T682-V686 WeakPolarHBondContact OG1-CB 3.29Å; T682-V686 WeakPolarHBondContact OG1-CG2 3.32Å; T682-V686 PolarHBondContact OG1-N 3.16Å; L684-V686 HydrophobicContact CB-CG2 4.18Å; V686-I688 HydrophobicContact CG1-CG1 4.09Å; V686-V714 HydrophobicContact CG1-CG1 3.32Å; V686-Q715 CarbonylContact C-O 3.57Å; V686-Q715 WeakPolarHBondContact CA-O 3.32Å; V686-M716 HydrophobicContact CB-SD 4.05Å; V686-M716 HydrophobicContact CG1-SD 3.86Å; V686-M716 HydrophobicContact CG2-CE 3.84Å; V686-M716 HydrophobicContact CG2-SD 3.65Å |
| 687 | V | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.7 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | W679 V680 L689 V714 Q715 L717 V721 F724 V778 | W679-V687 HydrophobicContact CE3-CG1 3.61Å; W679-V687 HydrophobicContact CZ3-CG1 3.86Å; V680-V687 CarbonylContact O-C 3.5Å; V680-V687 VanDerWaalsContact O-CA 3.25Å; V680-V687 WeakPolarHBondContact O-CA 3.49Å; V687-L689 HydrophobicContact CG1-CD1 4.34Å; V687-V714 CarbonylContact O-C 3.52Å; V687-V714 VanDerWaalsContact O-CA 3.29Å; V687-V714 WeakPolarHBondContact O-CA 3.34Å; V687-Q715 HydrophobicContact CB-CB 4.24Å; V687-Q715 PolarHBondContact N-O 2.9Å; V687-Q715 PolarHBondContact O-N 2.99Å; V687-L717 HydrophobicContact CG2-CD1 3.66Å; V687-V721 HydrophobicContact CG2-CG1 4.23Å; V687-V721 HydrophobicContact CG2-CG2 3.91Å; V687-F724 HydrophobicContact CB-CE1 4.44Å; V687-F724 HydrophobicContact CG1-CE1 3.68Å; V687-F724 HydrophobicContact CG1-CZ 3.96Å; V687-F724 HydrophobicContact CG2-CE1 3.89Å; V687-F724 HydrophobicContact CG2-CZ 4.35Å; V687-V778 HydrophobicContact CG2-CG1 3.83Å |
| 688 | I | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.1 | -177.6 | -52.4 | 170.2 | 0 | 0 | 0 | 108.6 | L486 Y487 V680 V686 I690 V714 | L486-I688 HydrophobicContact CB-CD1 4.29Å; L486-I688 HydrophobicContact CD1-CD1 4.42Å; L486-I688 HydrophobicContact CD2-CD1 3.32Å; L486-I688 HydrophobicContact CG-CD1 3.36Å; Y487-I688 HydrophobicContact CD1-CD1 3.94Å; Y487-I688 HydrophobicContact CE1-CD1 3.61Å; Y487-I688 HydrophobicContact CE1-CG1 4.41Å; V680-I688 HydrophobicContact CB-CB 4.3Å; V680-I688 PolarHBondContact N-O 3.44Å; V680-I688 PolarHBondContact O-N 2.88Å; V686-I688 HydrophobicContact CG1-CG1 4.09Å; I688-I690 HydrophobicContact CG2-CG1 4.46Å; I688-V714 HydrophobicContact CG1-CG2 4.47Å |
| 689 | L | 92.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.8 | 173.9 | -76.3 | 72 | 0 | 0 | 0 | 109.1 | Y666 W679 V687 G712 M789 | Y666-L689 WeakPolarHBondContact O-CD2 3.41Å; W679-L689 HydrophobicContact CD2-CD1 3.99Å; W679-L689 HydrophobicContact CD2-CD2 4.36Å; W679-L689 HydrophobicContact CD2-CG 3.88Å; W679-L689 HydrophobicContact CE3-CD1 3.74Å; W679-L689 HydrophobicContact CE3-CG 4.17Å; W679-L689 HydrophobicContact CG-CG 4.39Å; W679-L689 HydrophobicContact CH2-CD1 3.97Å; W679-L689 HydrophobicContact CH2-CD2 4.09Å; W679-L689 HydrophobicContact CH2-CG 4.33Å; W679-L689 HydrophobicContact CZ2-CD1 4.23Å; W679-L689 HydrophobicContact CZ2-CD2 3.66Å; W679-L689 HydrophobicContact CZ2-CG 4.08Å; W679-L689 HydrophobicContact CZ3-CD1 3.72Å; W679-L689 HydrophobicContact CZ3-CG 4.38Å; V687-L689 HydrophobicContact CG1-CD1 4.34Å; L689-G712 PolarHBondContact O-N 2.57Å; L689-M789 HydrophobicContact CD2-CE 3.86Å |
| 690 | I | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 104.5 | 175 | -59.4 | 177.1 | 0 | 0 | 0 | 107.8 | L467 L479 C677 L678 V680 I688 L692 V708 | L467-I690 HydrophobicContact CD2-CD1 3.58Å; L479-I690 HydrophobicContact CD2-CD1 4.04Å; L479-I690 HydrophobicContact CD2-CG2 4.25Å; C677-I690 CarbonylContact C-O 3.52Å; C677-I690 WeakPolarHBondContact CA-O 3.38Å; L678-I690 HydrophobicContact CB-CB 4.3Å; L678-I690 PolarHBondContact N-O 2.81Å; L678-I690 PolarHBondContact O-N 3.14Å; V680-I690 HydrophobicContact CG2-CD1 3.9Å; V680-I690 HydrophobicContact CG2-CG1 4.34Å; I688-I690 HydrophobicContact CG2-CG1 4.46Å; I690-L692 HydrophobicContact CG2-CD2 4.36Å; I690-V708 HydrophobicContact CG2-CG1 3.47Å; I690-V708 VanDerWaalsContact CG2-CG1 3.47Å |
| 691 | P | 93.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 143.4 | 177.9 | -17.5 | 32.4 | 0 | 0 | 0 | 111.3 | G709 P710 | P691-G709 PolarHBondContact O-N 3.11Å; P691-P710 WeakPolarHBondContact CD-O 3.4Å |
| 692 | L | 93.3 | Very high | 87.9 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136 | -177.8 | -56.8 | 169.5 | 0 | 0 | 0 | 109.4 | L458 F662 P676 L678 I690 I694 V708 | L458-L692 HydrophobicContact CD1-CD1 3.83Å; F662-L692 HydrophobicContact CD1-CD1 3.96Å; F662-L692 HydrophobicContact CE1-CD1 3.66Å; P676-L692 HydrophobicContact CB-CB 4.25Å; P676-L692 WeakPolarHBondContact O-CA 3.46Å; P676-L692 WeakPolarHBondContact O-CB 3.48Å; P676-L692 PolarHBondContact O-N 3.46Å; L678-L692 HydrophobicContact CB-CD1 4.39Å; I690-L692 HydrophobicContact CG2-CD2 4.36Å; L692-I694 HydrophobicContact CB-CG1 4.37Å; L692-V708 HydrophobicContact CD2-CG2 3.95Å |
| 693 | S | 91.8 | Very high | 87.3 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112.8 | 170.2 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T707 | S693-T707 WeakPolarHBondContact CB-OG1 3.36Å; S693-T707 PolarHBondContact N-O 3.16Å; S693-T707 PolarHBondContact O-N 2.93Å; S693-T707 VanDerWaalsContact O-N 3.13Å |
| 694 | I | 89.7 | Confident | 87 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | trans | -110.9 | 123.6 | -174.8 | -54.8 | 176.3 | 0 | 0 | 0 | 108.1 | Y456 L458 P676 L692 T696 V706 | Y456-I694 HydrophobicContact CD1-CD1 3.49Å; Y456-I694 VanDerWaalsContact CD1-CD1 3.49Å; Y456-I694 HydrophobicContact CD2-CD1 3.85Å; Y456-I694 HydrophobicContact CE1-CD1 4.12Å; Y456-I694 HydrophobicContact CE2-CD1 4.43Å; Y456-I694 HydrophobicContact CG-CD1 3.34Å; L458-I694 HydrophobicContact CD1-CD1 4.13Å; P676-I694 HydrophobicContact CB-CD1 3.6Å; P676-I694 HydrophobicContact CB-CG1 4.17Å; P676-I694 HydrophobicContact CG-CD1 3.9Å; P676-I694 HydrophobicContact CG-CG1 4.27Å; L692-I694 HydrophobicContact CB-CG1 4.37Å; I694-T696 PolarHBondContact O-N 3.33Å; I694-V706 HydrophobicContact CG1-CG1 4.13Å; I694-V706 HydrophobicContact CG1-CG2 4.48Å; I694-V706 HydrophobicContact CG2-CG2 4.39Å | ||
| 695 | P | 86.5 | Confident | 86.9 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | -57 | 134.9 | 174.4 | -22.4 | 31.8 | 0 | 0 | 0 | 111.3 | E700 R701 D704 | P695-E700 HydrophobicContact CB-CB 4.16Å; P695-R701 HydrophobicContact CB-CB 4.37Å; P695-D704 HydrophobicContact CB-CB 4.44Å; P695-D704 HydrophobicContact CG-CB 3.78Å | ||
| 696 | T | 72.1 | Confident | 86.9 | Confident | 137 Ų | 137 | 52 Ų | 52 | 84% | 0.84 | 28% | 0.278 | S | S | * | . | trans | -92.6 | -30.8 | -170.4 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | I694 | I694-T696 PolarHBondContact O-N 3.33Š| ||
| 697 | D | 78 | Confident | 86.9 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.1 | 147.8 | 172.1 | -168.8 | -81.3 | 0 | 0 | 0 | 110.7 | E699 E700 R701 R755 | D697-E699 PolarHBondContact OD1-N 2.88Å; D697-E700 HydrophobicContact CB-CB 4.06Å; D697-E700 HydrophobicContact CB-CG 3.92Å; D697-R701 WeakPolarHBondContact O-CB 3.32Å; D697-R701 PolarHBondContact O-N 3.17Å; D697-R755 IonicContact OD2-CZ 3.57Å; D697-R755 IonicContact OD2-NH2 3.39Å; D697-R755 PolarHBondContact OD2-NH2 3.48Å |
| 698 | H | 71.9 | Confident | 86.8 | Confident | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.1 | -38.7 | -176.1 | -177.9 | 36.8 | 0 | 0 | 0 | 112.9 | R701 M702 R756 | H698-R701 PolarHBondContact O-N 2.8Å; H698-M702 PolarHBondContact O-N 2.86Å; H698-R756 WeakPolarHBondContact ND1-CD 3.49Å |
| 699 | E | 75.4 | Confident | 86.6 | Confident | 153 Ų | 153 | 59.2 Ų | 59.2 | 72% | 0.715 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.7 | -46.6 | 178.6 | -65 | -171.7 | 164.1 | 0 | 0 | 109.3 | D697 R701 M702 E703 | D697-E699 PolarHBondContact OD1-N 2.88Å; E699-R701 VanDerWaalsContact C-N 3.29Å; E699-R701 PolarHBondContact O-N 3.28Å; E699-M702 PolarHBondContact O-N 3.12Å; E699-E703 PolarHBondContact O-N 3.12Å |
| 700 | E | 79.8 | Confident | 86 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57 | -40.6 | 172.9 | -65.4 | 176.6 | 176.8 | 0 | 0 | 111.8 | P695 D697 M702 E703 D704 | P695-E700 HydrophobicContact CB-CB 4.16Å; D697-E700 HydrophobicContact CB-CB 4.06Å; D697-E700 HydrophobicContact CB-CG 3.92Å; E700-M702 PolarHBondContact O-N 2.95Å; E700-M702 VanDerWaalsContact O-N 3.14Å; E700-E703 PolarHBondContact O-N 2.8Å; E700-E703 VanDerWaalsContact O-N 3.08Å; E700-D704 WeakPolarHBondContact O-CB 3.3Å; E700-D704 PolarHBondContact O-N 2.75Å |
| 701 | R | 86.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -23.9 | 178.9 | 180 | 59.7 | -174.6 | 83.8 | -2.2 | 113.7 | Y456 D471 L473 Q474 P695 D697 H698 E699 | Y456-R701 PolarHBondContact O-NE 2.6Å; Y456-R701 PolarHBondContact O-NH2 2.98Å; D471-R701 IonicContact OD1-CZ 3.65Å; D471-R701 IonicContact OD1-NH1 2.75Å; D471-R701 PolarHBondContact OD1-NH1 2.91Å; D471-R701 IonicContact OD1-NH2 3.83Å; D471-R701 PolarHBondContact OD1-NH2 3.04Å; D471-R701 IonicContact OD2-CZ 3.17Å; D471-R701 IonicContact OD2-NH1 2.8Å; D471-R701 PolarHBondContact OD2-NH1 2.93Å; D471-R701 IonicContact OD2-NH2 3.81Å; D471-R701 PolarHBondContact OD2-NH2 3.14Å; L473-R701 HydrophobicContact CD1-CG 4.2Å; Q474-R701 PolarHBondContact NE2-O 2.91Å; P695-R701 HydrophobicContact CB-CB 4.37Å; D697-R701 WeakPolarHBondContact O-CB 3.32Å; D697-R701 PolarHBondContact O-N 3.17Å; H698-R701 PolarHBondContact O-N 2.8Å; E699-R701 VanDerWaalsContact C-N 3.29Å; E699-R701 PolarHBondContact O-N 3.28Å |
| 702 | M | 84.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 47% | 0.468 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -89.1 | -23.1 | 177 | -63.6 | -57.5 | -62.8 | 0 | 0 | 112.7 | L473 H698 E699 E700 | L473-M702 HydrophobicContact CB-SD 4.35Å; H698-M702 PolarHBondContact O-N 2.86Å; E699-M702 PolarHBondContact O-N 3.12Å; E700-M702 PolarHBondContact O-N 2.95Å; E700-M702 VanDerWaalsContact O-N 3.14Å |
| 703 | E | 84.9 | Confident | 83.4 | Confident | 165 Ų | 165 | 67 Ų | 67 | 77% | 0.771 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -98.1 | -45.6 | -178.9 | -63.9 | -168.9 | 165.1 | 0 | 0 | 112.8 | E699 E700 | E699-E703 PolarHBondContact O-N 3.12Å; E700-E703 PolarHBondContact O-N 2.8Å; E700-E703 VanDerWaalsContact O-N 3.08Å |
| 704 | D | 88.4 | Confident | 82.8 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -88.4 | 132.5 | -177 | -71.5 | -29.3 | 0 | 0 | 0 | 111.6 | Q474 P695 E700 | Q474-D704 PolarHBondContact NE2-O 3.46Å; P695-D704 HydrophobicContact CB-CB 4.44Å; P695-D704 HydrophobicContact CG-CB 3.78Å; E700-D704 WeakPolarHBondContact O-CB 3.3Å; E700-D704 PolarHBondContact O-N 2.75Å |
| 705 | P | 89.4 | Confident | 82.7 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 148.1 | 179.2 | 30.6 | -34.6 | 0 | 0 | 0 | 111.4 | T707 | P705-T707 PolarHBondContact O-N 2.92Š|
| 706 | V | 93.6 | Very high | 82.8 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 132.3 | 166.3 | 176.2 | 0 | 0 | 0 | 0 | 109 | L458 I478 I694 | L458-V706 HydrophobicContact CD1-CG1 4.23Å; L458-V706 HydrophobicContact CD2-CG2 4.19Å; I478-V706 HydrophobicContact CD1-CB 3.79Å; I478-V706 HydrophobicContact CD1-CG1 4.02Å; I478-V706 HydrophobicContact CD1-CG2 4.42Å; I478-V706 HydrophobicContact CG1-CB 4.44Å; I694-V706 HydrophobicContact CG1-CG1 4.13Å; I694-V706 HydrophobicContact CG1-CG2 4.48Å; I694-V706 HydrophobicContact CG2-CG2 4.39Å |
| 707 | T | 93.1 | Very high | 83.8 | Confident | 74 Ų | 74 | 62 Ų | 62 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.9 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | S693 P705 | S693-T707 WeakPolarHBondContact CB-OG1 3.36Å; S693-T707 PolarHBondContact N-O 3.16Å; S693-T707 PolarHBondContact O-N 2.93Å; S693-T707 VanDerWaalsContact O-N 3.13Å; P705-T707 PolarHBondContact O-N 2.92Å |
| 708 | V | 92.4 | Very high | 84.5 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | I478 L479 I690 L692 | I478-V708 HydrophobicContact CG2-CG2 3.51Å; L479-V708 HydrophobicContact CB-CG2 4.36Å; L479-V708 HydrophobicContact CD1-CG1 4.33Å; L479-V708 HydrophobicContact CD1-CG2 4.29Å; L479-V708 HydrophobicContact CD2-CG1 4.28Å; L479-V708 HydrophobicContact CD2-CG2 4.49Å; I690-V708 HydrophobicContact CG2-CG1 3.47Å; I690-V708 VanDerWaalsContact CG2-CG1 3.47Å; L692-V708 HydrophobicContact CD2-CG2 3.95Å |
| 709 | G | 86.9 | Confident | 85.4 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 165.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P691 S711 | P691-G709 PolarHBondContact O-N 3.11Å; G709-S711 PolarHBondContact O-N 2.83Å |
| 710 | P | 81.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 134.2 | 175.3 | 25.8 | -33.6 | 0 | 0 | 0 | 110.5 | P691 G712 | P691-P710 WeakPolarHBondContact CD-O 3.4Å; P710-G712 PolarHBondContact O-N 3.17Å |
| 711 | S | 80.1 | Confident | 87.2 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 131.6 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | G709 | G709-S711 PolarHBondContact O-N 2.83Š|
| 712 | G | 72.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | trans | -82 | -154.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G667 L689 P710 | G667-G712 WeakPolarHBondContact O-CA 3.47Å; L689-G712 PolarHBondContact O-N 2.57Å; P710-G712 PolarHBondContact O-N 3.17Å | ||
| 713 | A | 71.7 | Confident | 88.3 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | trans | -66.2 | 147.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G667 | G667-A713 PolarHBondContact O-N 3.08Š| ||
| 714 | V | 79.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.5 | 178 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | V686 V687 I688 | V686-V714 HydrophobicContact CG1-CG1 3.32Å; V687-V714 CarbonylContact O-C 3.52Å; V687-V714 VanDerWaalsContact O-CA 3.29Å; V687-V714 WeakPolarHBondContact O-CA 3.34Å; I688-V714 HydrophobicContact CG1-CG2 4.47Å |
| 715 | Q | 86.9 | Confident | 89.2 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.2 | 177.6 | -54.7 | -66.2 | 71.4 | 0 | 0 | 111.5 | V686 V687 F787 Q792 | V686-Q715 CarbonylContact C-O 3.57Å; V686-Q715 WeakPolarHBondContact CA-O 3.32Å; V687-Q715 HydrophobicContact CB-CB 4.24Å; V687-Q715 PolarHBondContact N-O 2.9Å; V687-Q715 PolarHBondContact O-N 2.99Å; Q715-F787 HydrophobicContact CB-CZ 4.36Å; Q715-Q792 PolarHBondContact NE2-O 2.66Å |
| 716 | M | 89.3 | Confident | 89.5 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.2 | -174.8 | -63.8 | -59.2 | -65.2 | 0 | 0 | 113.4 | P492 Y493 G685 V686 K785 | P492-M716 HydrophobicContact CG-SD 4.37Å; Y493-M716 HydrophobicContact CE2-CE 4Å; Y493-M716 WeakPolarHBondContact OH-CE 3.34Å; G685-M716 CarbonylContact O-C 3.57Å; V686-M716 HydrophobicContact CB-SD 4.05Å; V686-M716 HydrophobicContact CG1-SD 3.86Å; V686-M716 HydrophobicContact CG2-CE 3.84Å; V686-M716 HydrophobicContact CG2-SD 3.65Å; M716-K785 PolarHBondContact O-NZ 2.82Å |
| 717 | L | 92.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | trans | -126.3 | 157.9 | 174.8 | -67.3 | 94.1 | 0 | 0 | 0 | 112.3 | G685 V687 V778 Q783 K785 | G685-L717 PolarHBondContact O-N 2.84Å; V687-L717 HydrophobicContact CG2-CD1 3.66Å; L717-V778 HydrophobicContact CD1-CB 4.38Å; L717-V778 HydrophobicContact CD1-CG1 3.69Å; L717-V778 HydrophobicContact CD2-CB 4.03Å; L717-V778 HydrophobicContact CD2-CG1 3.66Å; L717-V778 HydrophobicContact CG-CG1 4.35Å; L717-Q783 HydrophobicContact CB-CG 4.48Å; L717-Q783 HydrophobicContact CD2-CG 4.36Å; L717-K785 HydrophobicContact CD2-CB 4.3Å; L717-K785 HydrophobicContact CD2-CD 4.2Å; L717-K785 HydrophobicContact CD2-CG 4.1Å; L717-K785 HydrophobicContact CG-CD 4.16Å | ||
| 718 | K | 92.1 | Very high | 89.2 | Confident | 133 Ų | 133 | 36.2 Ų | 36.2 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -78.4 | 122.9 | 171.6 | -67.3 | -179.4 | 178.8 | 177.2 | 0 | 109.1 | S780 R782 Q783 | K718-S780 WeakPolarHBondContact O-CB 3.32Å; K718-S780 PolarHBondContact O-OG 3.21Å; K718-R782 HydrophobicContact CB-CB 4.22Å; K718-R782 WeakPolarHBondContact O-CB 3.47Å; K718-Q783 HydrophobicContact CB-CG 4.19Å |
| 719 | G | 91.6 | Very high | 89 | Confident | 29 Ų | 29 | 36 Ų | 36 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 77.7 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G685 | G685-G719 WeakPolarHBondContact CA-O 3.35Š|
| 720 | S | 95.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | trans | -57.9 | 136.9 | -176.8 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | T658 S683 S780 E781 | T658-S720 WeakPolarHBondContact CG2-OG 3.46Å; S683-S720 WeakPolarHBondContact O-CA 3.23Å; S720-S780 CarbonylContact O-C 3.59Å; S720-S780 WeakPolarHBondContact O-CA 3.33Å; S720-S780 WeakPolarHBondContact O-CB 3.12Å; S720-E781 VanDerWaalsContact CB-CD 3.5Å; S720-E781 PolarHBondContact O-N 3.44Å | ||
| 721 | V | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.5 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | T658 T659 T682 V687 F724 V778 | T658-V721 WeakPolarHBondContact CB-O 3.39Å; T658-V721 PolarHBondContact OG1-O 2.8Å; T659-V721 HydrophobicContact CG2-CB 4Å; T659-V721 HydrophobicContact CG2-CG1 3.61Å; T682-V721 PolarHBondContact O-N 2.97Å; V687-V721 HydrophobicContact CG2-CG1 4.23Å; V687-V721 HydrophobicContact CG2-CG2 3.91Å; V721-F724 HydrophobicContact CG1-CE1 3.77Å; V721-F724 HydrophobicContact CG1-CZ 3.94Å; V721-V778 HydrophobicContact CG1-CG1 3.78Å |
| 722 | L | 96.4 | Very high | 89.7 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -43.1 | -174.8 | -62 | 177.4 | 0 | 0 | 0 | 112.9 | T659 C779 E781 V806 | T659-L722 WeakPolarHBondContact CB-O 3.49Å; T659-L722 PolarHBondContact OG1-O 3.33Å; T659-L722 VanDerWaalsContact OG1-O 3.09Å; L722-C779 PolarHBondContact N-O 2.95Å; L722-E781 HydrophobicContact CD1-CG 3.94Å; L722-E781 HydrophobicContact CD2-CG 4.01Å; L722-E781 HydrophobicContact CG-CG 4.09Å; L722-V806 HydrophobicContact CD1-CB 3.79Å; L722-V806 HydrophobicContact CD1-CG1 3.83Å; L722-V806 WeakPolarHBondContact CD1-O 3.47Å |
| 723 | R | 97.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 140 | -168.8 | 180 | 62.1 | 76.6 | 179.6 | 2 | 112.1 | C779 R808 A809 D810 | R723-C779 HydrophobicContact CB-CB 4.32Å; R723-C779 PolarHBondContact N-O 2.76Å; R723-C779 PolarHBondContact O-N 2.82Å; R723-R808 VanDerWaalsContact NH2-NH2 3.18Å; R723-A809 HydrophobicContact CB-CB 4.02Å; R723-A809 WeakPolarHBondContact CB-O 3.33Å; R723-A809 WeakPolarHBondContact CG-O 3.3Å; R723-A809 PolarHBondContact NE-O 3.29Å; R723-D810 IonicContact CZ-OD1 2.92Å; R723-D810 IonicContact NE-OD1 3.99Å; R723-D810 PolarHBondContact NE-OD1 2.87Å; R723-D810 VanDerWaalsContact NE-OD1 3.17Å; R723-D810 IonicContact NH2-OD1 2.75Å; R723-D810 PolarHBondContact NH2-OD1 2.79Å |
| 724 | F | 97.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159 | 166.4 | -54.8 | -61.7 | 0 | 0 | 0 | 111 | T659 Q661 W679 V687 V721 F726 V777 V778 | T659-F724 HydrophobicContact CG2-CD2 4.07Å; T659-F724 HydrophobicContact CG2-CE2 3.48Å; T659-F724 VanDerWaalsContact CG2-CE2 3.48Å; T659-F724 HydrophobicContact CG2-CZ 3.74Å; Q661-F724 HydrophobicContact CB-CB 4.36Å; Q661-F724 HydrophobicContact CB-CD2 3.85Å; Q661-F724 PolarHBondContact OE1-O 2.83Å; W679-F724 HydrophobicContact CB-CD2 3.84Å; W679-F724 HydrophobicContact CB-CE2 3.73Å; W679-F724 HydrophobicContact CB-CG 4.33Å; W679-F724 HydrophobicContact CB-CZ 4.17Å; W679-F724 HydrophobicContact CE3-CD1 4.12Å; W679-F724 HydrophobicContact CE3-CE1 4.1Å; V687-F724 HydrophobicContact CB-CE1 4.44Å; V687-F724 HydrophobicContact CG1-CE1 3.68Å; V687-F724 HydrophobicContact CG1-CZ 3.96Å; V687-F724 HydrophobicContact CG2-CE1 3.89Å; V687-F724 HydrophobicContact CG2-CZ 4.35Å; V721-F724 HydrophobicContact CG1-CE1 3.77Å; V721-F724 HydrophobicContact CG1-CZ 3.94Å; F724-F726 HydrophobicContact CB-CZ 4.2Å; F724-V777 CarbonylContact C-O 3.57Å; F724-V777 WeakPolarHBondContact CA-O 3.4Å; F724-V778 HydrophobicContact CD1-CB 4.46Å; F724-V778 HydrophobicContact CD1-CG1 4.07Å; F724-V778 HydrophobicContact CD1-CG2 4.06Å; F724-V778 HydrophobicContact CE1-CG1 3.9Å; F724-V778 HydrophobicContact CE1-CG2 4.29Å |
| 725 | G | 95.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 154.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V777 | G725-V777 PolarHBondContact N-O 2.82Å; G725-V777 PolarHBondContact O-N 2.86Å |
| 726 | F | 94.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.3 | -173.3 | -54.2 | -68.6 | 0 | 0 | 0 | 109.7 | Q661 W679 F724 I734 L775 A776 | Q661-F726 HydrophobicContact CG-CE2 4.01Å; Q661-F726 VanDerWaalsContact NE2-CE2 3.33Å; W679-F726 AromaticContact CD1-CZ 3.56Å; W679-F726 AromaticContact CD2-CE1 3.92Å; W679-F726 HydrophobicContact CD2-CE1 3.92Å; W679-F726 AromaticContact CD2-CZ 3.91Å; W679-F726 HydrophobicContact CD2-CZ 3.91Å; W679-F726 AromaticContact CE2-CE1 3.38Å; W679-F726 AromaticContact CE2-CZ 3.71Å; W679-F726 HydrophobicContact CG-CE1 4.31Å; W679-F726 AromaticContact CG-CZ 3.83Å; W679-F726 HydrophobicContact CG-CZ 3.83Å; W679-F726 HydrophobicContact CH2-CE1 4.26Å; W679-F726 HydrophobicContact CZ2-CD1 4.44Å; W679-F726 AromaticContact CZ2-CE1 3.57Å; W679-F726 HydrophobicContact CZ2-CE1 3.57Å; W679-F726 HydrophobicContact CZ2-CZ 4.36Å; W679-F726 AromaticContact NE1-CE1 3.47Å; W679-F726 AromaticContact NE1-CZ 3.45Å; F724-F726 HydrophobicContact CB-CZ 4.2Å; F726-I734 HydrophobicContact CB-CB 4.03Å; F726-I734 HydrophobicContact CB-CD1 4.49Å; F726-I734 PolarHBondContact O-N 2.7Å; F726-L775 CarbonylContact C-O 3.54Å; F726-L775 WeakPolarHBondContact CA-O 3.43Å; F726-A776 HydrophobicContact CD1-CB 4.24Å; F726-A776 HydrophobicContact CE1-CB 4.29Å |
| 727 | L | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.4 | 177.7 | -42.6 | 165.1 | 0 | 0 | 0 | 109.2 | A732 L733 I734 H774 L775 V777 V818 L834 P835 | L727-A732 CarbonylContact C-O 3.58Å; L727-A732 WeakPolarHBondContact CA-O 3.17Å; L727-A732 WeakPolarHBondContact CB-O 3.1Å; L727-L733 HydrophobicContact CD2-CD1 4.09Å; L727-I734 VanDerWaalsContact C-CD1 3.44Å; L727-I734 WeakPolarHBondContact O-CD1 3.49Å; L727-H774 WeakPolarHBondContact O-CB 3.45Å; L727-L775 HydrophobicContact CB-CB 4.17Å; L727-L775 PolarHBondContact N-O 3.4Å; L727-L775 PolarHBondContact O-N 2.82Å; L727-V777 HydrophobicContact CD1-CG2 3.97Å; L727-V777 HydrophobicContact CG-CG2 4.23Å; L727-V818 HydrophobicContact CD2-CB 4.12Å; L727-V818 HydrophobicContact CD2-CG1 3.82Å; L727-V818 HydrophobicContact CD2-CG2 4.25Å; L727-L834 HydrophobicContact CD1-CB 3.81Å; L727-L834 HydrophobicContact CD1-CD1 4.48Å; L727-P835 HydrophobicContact CD1-CB 4.04Å |
| 728 | D | 89.1 | Confident | 91.4 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | trans | -70.4 | 173.8 | 163 | 73.2 | 10.1 | 0 | 0 | 0 | 110.3 | N730 G731 A732 I734 | D728-N730 PolarHBondContact O-N 3.01Å; D728-N730 VanDerWaalsContact OD1-C 3.28Å; D728-N730 VanDerWaalsContact OD1-CA 3.29Å; D728-N730 WeakPolarHBondContact OD1-CA 3.38Å; D728-N730 WeakPolarHBondContact OD1-CB 3.35Å; D728-N730 PolarHBondContact OD1-N 3.43Å; D728-G731 PolarHBondContact O-N 2.91Å; D728-G731 PolarHBondContact OD1-N 2.88Å; D728-A732 PolarHBondContact N-O 2.89Å; D728-A732 PolarHBondContact OD1-N 3.46Å; D728-I734 HydrophobicContact CB-CD1 4.36Å; D728-I734 HydrophobicContact CB-CG1 4.34Å | ||
| 729 | C | 88.3 | Confident | 91.2 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12 | -180 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | G731 E772 G773 | C729-G731 VanDerWaalsContact C-N 3.32Å; C729-E772 PolarHBondContact SG-O 3.18Å; C729-G773 PolarHBondContact SG-O 2.84Å |
| 730 | N | 87.2 | Confident | 91.1 | Very high | 141 Ų | 141 | 36.3 Ų | 36.3 | 75% | 0.754 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.2 | 170.3 | -60.5 | -44.9 | 0 | 0 | 0 | 112.5 | D728 | D728-N730 PolarHBondContact O-N 3.01Å; D728-N730 VanDerWaalsContact OD1-C 3.28Å; D728-N730 VanDerWaalsContact OD1-CA 3.29Å; D728-N730 WeakPolarHBondContact OD1-CA 3.38Å; D728-N730 WeakPolarHBondContact OD1-CB 3.35Å; D728-N730 PolarHBondContact OD1-N 3.43Å |
| 731 | G | 86.1 | Confident | 90.9 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 86.8 | 9.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D728 C729 | D728-G731 PolarHBondContact O-N 2.91Å; D728-G731 PolarHBondContact OD1-N 2.88Å; C729-G731 VanDerWaalsContact C-N 3.32Å |
| 732 | A | 88.8 | Confident | 90.3 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 41% | 0.405 | 22% | 0.218 | S | C | . | . | trans | -79.1 | 145.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L727 D728 I734 | L727-A732 CarbonylContact C-O 3.58Å; L727-A732 WeakPolarHBondContact CA-O 3.17Å; L727-A732 WeakPolarHBondContact CB-O 3.1Å; D728-A732 PolarHBondContact N-O 2.89Å; D728-A732 PolarHBondContact OD1-N 3.46Å; A732-I734 PolarHBondContact O-N 2.86Å | ||
| 733 | L | 89.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 40.3 Ų | 40.3 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -69.7 | 124.2 | -179.4 | -174.3 | 68.8 | 0 | 0 | 0 | 111.1 | L727 Q735 V811 V818 | L727-L733 HydrophobicContact CD2-CD1 4.09Å; L733-Q735 PolarHBondContact O-N 2.94Å; L733-V811 HydrophobicContact CD1-CG1 3.81Å; L733-V818 HydrophobicContact CB-CG1 4.4Å; L733-V818 HydrophobicContact CB-CG2 3.82Å; L733-V818 HydrophobicContact CD1-CG1 4.13Å |
| 734 | I | 89.1 | Confident | 88.6 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | trans | -84 | 111.5 | 169.5 | -60.3 | 171.8 | 0 | 0 | 0 | 107.7 | F726 L727 D728 A732 H774 | F726-I734 HydrophobicContact CB-CB 4.03Å; F726-I734 HydrophobicContact CB-CD1 4.49Å; F726-I734 PolarHBondContact O-N 2.7Å; L727-I734 VanDerWaalsContact C-CD1 3.44Å; L727-I734 WeakPolarHBondContact O-CD1 3.49Å; D728-I734 HydrophobicContact CB-CD1 4.36Å; D728-I734 HydrophobicContact CB-CG1 4.34Å; A732-I734 PolarHBondContact O-N 2.86Å; I734-H774 HydrophobicContact CD1-CB 3.83Å | ||
| 735 | Q | 84.9 | Confident | 87.7 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 142.2 | 176.6 | -65.3 | -170.2 | -12.5 | 0 | 0 | 111.2 | L733 F761 | L733-Q735 PolarHBondContact O-N 2.94Å; Q735-F761 HydrophobicContact CB-CD2 3.71Å; Q735-F761 HydrophobicContact CB-CE2 3.88Å; Q735-F761 HydrophobicContact CB-CG 4.21Å |
| 736 | S | 85.9 | Confident | 86.8 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 136.7 | 173 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | F662 | F662-S736 PolarHBondContact O-OG 3.03Å; F662-S736 VanDerWaalsContact O-OG 3.11Å |
| 737 | P | 88.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 145.1 | -179.3 | 27.4 | -34.5 | 0 | 0 | 0 | 110.3 | N453 A455 Y456 V759 | N453-P737 PolarHBondContact ND2-O 3.34Å; N453-P737 PolarHBondContact OD1-O 2.78Å; A455-P737 HydrophobicContact CB-CB 3.81Å; A455-P737 HydrophobicContact CB-CG 4.23Å; Y456-P737 HydrophobicContact CD1-CG 4.41Å; Y456-P737 HydrophobicContact CE1-CG 3.6Å; Y456-P737 HydrophobicContact CE2-CG 4.45Å; P737-V759 WeakPolarHBondContact CA-O 3.38Å |
| 738 | Y | 90.1 | Very high | 84 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.3 | 179.8 | 62.3 | -100 | 0 | 0 | 0 | 112.3 | H329 S454 V740 V759 F761 | H329-Y738 HydrophobicContact CB-CD2 3.33Å; H329-Y738 HydrophobicContact CB-CE2 3.39Å; H329-Y738 HydrophobicContact CB-CG 3.94Å; H329-Y738 AromaticContact CD2-CE2 3.7Å; H329-Y738 AromaticContact CD2-CZ 3.67Å; H329-Y738 AromaticContact CG-CD2 3.91Å; H329-Y738 AromaticContact CG-CE2 3.52Å; H329-Y738 AromaticContact CG-CZ 3.64Å; S454-Y738 VanDerWaalsContact OG-CA 3.24Å; S454-Y738 WeakPolarHBondContact OG-CA 3.1Å; S454-Y738 VanDerWaalsContact OG-CB 3.26Å; S454-Y738 WeakPolarHBondContact OG-CB 3.25Å; Y738-V740 HydrophobicContact CE2-CG2 4.08Å; Y738-V759 HydrophobicContact CD2-CB 4.36Å; Y738-V759 HydrophobicContact CE1-CB 4.37Å; Y738-V759 HydrophobicContact CE1-CG1 4.39Å; Y738-V759 HydrophobicContact CE2-CB 3.93Å; Y738-V759 HydrophobicContact CE2-CG2 3.85Å; Y738-V759 PolarHBondContact N-O 2.67Å; Y738-V759 PolarHBondContact O-N 3.09Å; Y738-F761 HydrophobicContact CD1-CE2 4.2Å; Y738-F761 AromaticContact CE1-CE2 3.6Å; Y738-F761 HydrophobicContact CE1-CE2 3.6Å; Y738-F761 HydrophobicContact CE1-CZ 4.04Å |
| 739 | E | 89.3 | Confident | 82.9 | Confident | 34 Ų | 34 | 67 Ų | 67 | 16% | 0.159 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.8 | 169.9 | -179.8 | 166.7 | -174.5 | 0 | 0 | 110.1 | S330 S454 W741 R756 L758 | S330-E739 WeakPolarHBondContact CA-O 3.46Å; S330-E739 WeakPolarHBondContact CB-O 3.31Å; S330-E739 PolarHBondContact N-O 2.86Å; S454-E739 PolarHBondContact OG-N 3.07Å; E739-W741 PolarHBondContact O-N 3.09Å; E739-R756 IonicContact OE1-NE 2.57Å; E739-R756 IonicContact OE2-CZ 2.88Å; E739-R756 IonicContact OE2-NE 3.11Å; E739-R756 PolarHBondContact OE2-NE 3.14Å; E739-R756 IonicContact OE2-NH2 2.75Å; E739-R756 PolarHBondContact OE2-NH2 2.97Å; E739-L758 HydrophobicContact CB-CD2 4.05Å; E739-L758 HydrophobicContact CG-CD2 4.37Å |
| 740 | V | 88.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 26% | 0.261 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 124.3 | 173.1 | -178 | 0 | 0 | 0 | 0 | 109 | Y738 R742 K757 V759 | Y738-V740 HydrophobicContact CE2-CG2 4.08Å; V740-R742 PolarHBondContact O-N 3.48Å; V740-K757 HydrophobicContact CB-CB 4.4Å; V740-K757 HydrophobicContact CB-CD 4.42Å; V740-K757 HydrophobicContact CB-CG 4.45Å; V740-K757 HydrophobicContact CG2-CD 4.28Å; V740-K757 HydrophobicContact CG2-CG 4.26Å; V740-K757 PolarHBondContact N-O 3.27Å; V740-V759 HydrophobicContact CG2-CG2 3.55Å |
| 741 | W | 90.9 | Very high | 80.2 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 17% | 0.167 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 136.5 | 176.8 | -178.4 | 85.7 | 0 | 0 | 0 | 111.2 | H329 R331 F347 K349 E739 D743 | H329-W741 VanDerWaalsContact O-CB 3.27Å; H329-W741 WeakPolarHBondContact O-CB 3.5Å; H329-W741 PolarHBondContact O-N 3.22Å; R331-W741 HydrophobicContact CB-CG 4.25Å; R331-W741 HydrophobicContact CG-CB 3.93Å; R331-W741 HydrophobicContact CG-CG 3.88Å; R331-W741 VanDerWaalsContact CZ-CE3 3.43Å; R331-W741 VanDerWaalsContact NH1-CE3 3.28Å; F347-W741 AromaticContact CD1-CE2 3.82Å; F347-W741 AromaticContact CD1-CZ2 3.85Å; F347-W741 HydrophobicContact CD1-CZ2 3.85Å; F347-W741 AromaticContact CD1-NE1 3.72Å; F347-W741 HydrophobicContact CE1-CZ2 4.12Å; F347-W741 PolarHBondContact O-NE1 3.1Å; K349-W741 HydrophobicContact CD-CH2 4.25Å; K349-W741 HydrophobicContact CG-CH2 4.29Å; E739-W741 PolarHBondContact O-N 3.09Å; W741-D743 HydrophobicContact CH2-CB 3.57Å; W741-D743 HydrophobicContact CZ2-CB 4.29Å; W741-D743 HydrophobicContact CZ3-CB 4.04Å |
| 742 | R | 84.3 | Confident | 78.9 | Confident | 60 Ų | 60 | 78 Ų | 78 | 23% | 0.226 | 42% | 0.416 | C | S | . | . | trans | -137.1 | 149.5 | 174.9 | -74.5 | 179.6 | -69.8 | 172 | 11.2 | 110.9 | V740 L744 R755 R756 | V740-R742 PolarHBondContact O-N 3.48Å; R742-L744 PolarHBondContact O-N 2.86Å; R742-R755 PolarHBondContact NH1-O 2.91Å; R742-R755 PolarHBondContact NH2-O 3.46Å; R742-R756 VanDerWaalsContact NH2-C 3.33Å | ||
| 743 | D | 82.6 | Confident | 77.2 | Confident | 32 Ų | 32 | 80 Ų | 80 | 17% | 0.171 | 42% | 0.424 | C | S | . | . | trans | -83.6 | 102.8 | 177.9 | -161.1 | -21.8 | 0 | 0 | 0 | 109.6 | K349 Y350 W741 N745 A746 | K349-D743 WeakPolarHBondContact CD-OD2 3.31Å; K349-D743 IonicContact NZ-OD2 3.6Å; K349-D743 PolarHBondContact NZ-OD2 3.44Å; Y350-D743 VanDerWaalsContact CE2-OD1 3.29Å; Y350-D743 WeakPolarHBondContact CE2-OD1 3.25Å; W741-D743 HydrophobicContact CH2-CB 3.57Å; W741-D743 HydrophobicContact CZ2-CB 4.29Å; W741-D743 HydrophobicContact CZ3-CB 4.04Å; D743-N745 PolarHBondContact O-N 2.96Å; D743-N745 PolarHBondContact OD1-N 2.8Å; D743-A746 HydrophobicContact CB-CB 3.9Å; D743-A746 WeakPolarHBondContact O-CB 3.47Å; D743-A746 PolarHBondContact O-N 3.32Å | ||
| 744 | L | 76.9 | Confident | 75.6 | Confident | 168 Ų | 168 | 87.3 Ų | 87.3 | 88% | 0.88 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.5 | -179.9 | -68 | 172.3 | 0 | 0 | 0 | 113 | R742 | R742-L744 PolarHBondContact O-N 2.86Š|
| 745 | N | 77.7 | Confident | 74.4 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 5.6 | -179.3 | -61.6 | -33.7 | 0 | 0 | 0 | 112.6 | Y350 D743 | Y350-N745 HydrophobicContact CD2-CB 3.81Å; Y350-N745 WeakPolarHBondContact CD2-ND2 3.01Å; Y350-N745 HydrophobicContact CE2-CB 3.52Å; Y350-N745 HydrophobicContact CG-CB 4.48Å; D743-N745 PolarHBondContact O-N 2.96Å; D743-N745 PolarHBondContact OD1-N 2.8Å |
| 746 | A | 76.7 | Confident | 73.7 | Confident | 41 Ų | 41 | 91.4 Ų | 91.4 | 34% | 0.339 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -67.5 | 146.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D743 E748 | D743-A746 HydrophobicContact CB-CB 3.9Å; D743-A746 WeakPolarHBondContact O-CB 3.47Å; D743-A746 PolarHBondContact O-N 3.32Å; A746-E748 PolarHBondContact O-N 2.75Å |
| 747 | P | 70.3 | Confident | 73.2 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 81% | 0.812 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 138 | 177.9 | 21.6 | -31.2 | 0 | 0 | 0 | 111.1 | D749 | P747-D749 PolarHBondContact O-N 3.02Š|
| 748 | E | 59.3 | Low | 72.8 | Confident | 156 Ų | 156 | 97.7 Ų | 97.7 | 73% | 0.729 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 118.1 | -175.7 | -69.6 | -167 | 139.1 | 0 | 0 | 111.1 | A746 R754 | A746-E748 PolarHBondContact O-N 2.75Å; E748-R754 IonicContact OE1-CZ 3.87Å; E748-R754 IonicContact OE1-NE 2.75Å; E748-R754 IonicContact OE1-NH2 3.11Å; E748-R754 PolarHBondContact OE1-NH2 3.03Å |
| 749 | D | 66.4 | Low | 72.2 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | trans | -92.2 | 115 | 166.6 | -178.9 | -2.5 | 0 | 0 | 0 | 107.8 | P747 D751 R752 | P747-D749 PolarHBondContact O-N 3.02Å; D749-D751 PolarHBondContact O-N 3.34Å; D749-D751 VanDerWaalsContact O-N 3.13Å; D749-D751 PolarHBondContact OD1-N 3.27Å; D749-R752 HydrophobicContact CB-CB 3.98Å; D749-R752 PolarHBondContact O-N 3.25Å; D749-R752 VanDerWaalsContact O-N 3.08Å | ||
| 750 | P | 60.2 | Low | 71.3 | Confident | 126 Ų | 126 | 100.4 Ų | 100.4 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.4 | -176 | 23.1 | -32.1 | 0 | 0 | 0 | 113.7 | ||
| 751 | D | 58.4 | Low | 69.9 | Low | 150 Ų | 150 | 102.1 Ų | 102.1 | 80% | 0.802 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.3 | 179 | -70.9 | -31 | 0 | 0 | 0 | 113.5 | D749 | D749-D751 PolarHBondContact O-N 3.34Å; D749-D751 VanDerWaalsContact O-N 3.13Å; D749-D751 PolarHBondContact OD1-N 3.27Å |
| 752 | R | 57.7 | Low | 67.8 | Low | 161 Ų | 161 | 101.4 Ų | 101.4 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -100.9 | 118.3 | -175.2 | -154.7 | 173.1 | -170 | -173.4 | 3.8 | 111.5 | D749 R754 | D749-R752 HydrophobicContact CB-CB 3.98Å; D749-R752 PolarHBondContact O-N 3.25Å; D749-R752 VanDerWaalsContact O-N 3.08Å; R752-R754 PolarHBondContact O-N 3.27Å |
| 753 | P | 53.1 | Low | 65.9 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | trans | -64.7 | 133.1 | -179.4 | 23.7 | -31.8 | 0 | 0 | 0 | 111.7 | R755 | P753-R755 PolarHBondContact O-N 2.55Å; P753-R755 VanDerWaalsContact O-N 3.12Å | ||
| 754 | R | 55.4 | Low | 63.9 | Low | 213 Ų | 213 | 103.3 Ų | 103.3 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -63.4 | -9.9 | 175.5 | -72.4 | -176.8 | 174.8 | 160.5 | -1.6 | 114.3 | E748 R752 | E748-R754 IonicContact OE1-CZ 3.87Å; E748-R754 IonicContact OE1-NE 2.75Å; E748-R754 IonicContact OE1-NH2 3.11Å; E748-R754 PolarHBondContact OE1-NH2 3.03Å; R752-R754 PolarHBondContact O-N 3.27Å | ||
| 755 | R | 63.8 | Low | 62 | Low | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -76.7 | 148.1 | -172 | -69.9 | -179.1 | 170.5 | -162.3 | -12.8 | 113.4 | D697 R742 P753 K757 | D697-R755 IonicContact OD2-CZ 3.57Å; D697-R755 IonicContact OD2-NH2 3.39Å; D697-R755 PolarHBondContact OD2-NH2 3.48Å; R742-R755 PolarHBondContact NH1-O 2.91Å; R742-R755 PolarHBondContact NH2-O 3.46Å; P753-R755 PolarHBondContact O-N 2.55Å; P753-R755 VanDerWaalsContact O-N 3.12Å; R755-K757 PolarHBondContact O-N 2.96Å |
| 756 | R | 70.8 | Confident | 60.2 | Low | 41 Ų | 41 | 99.4 Ų | 99.4 | 16% | 0.155 | 52% | 0.521 | C | S | . | . | trans | -44.1 | 124.5 | 171 | -69.3 | -179 | 71.8 | -145.4 | 0.6 | 111.4 | S454 A455 H698 E739 R742 L758 | S454-R756 PolarHBondContact O-NH2 2.81Å; A455-R756 PolarHBondContact O-NH1 3.08Å; A455-R756 PolarHBondContact O-NH2 3.47Å; H698-R756 WeakPolarHBondContact ND1-CD 3.49Å; E739-R756 IonicContact OE1-NE 2.57Å; E739-R756 IonicContact OE2-CZ 2.88Å; E739-R756 IonicContact OE2-NE 3.11Å; E739-R756 PolarHBondContact OE2-NE 3.14Å; E739-R756 IonicContact OE2-NH2 2.75Å; E739-R756 PolarHBondContact OE2-NH2 2.97Å; R742-R756 VanDerWaalsContact NH2-C 3.33Å; R756-L758 HydrophobicContact CB-CD2 4.27Å; R756-L758 HydrophobicContact CB-CG 4.33Å; R756-L758 PolarHBondContact O-N 2.83Å | ||
| 757 | K | 75.6 | Confident | 58.5 | Low | 127 Ų | 127 | 105.9 Ų | 105.9 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | trans | -93.6 | 92.2 | 174.7 | -173.5 | 178.2 | -179.4 | -178.9 | 0 | 107.6 | V740 R755 | V740-K757 HydrophobicContact CB-CB 4.4Å; V740-K757 HydrophobicContact CB-CD 4.42Å; V740-K757 HydrophobicContact CB-CG 4.45Å; V740-K757 HydrophobicContact CG2-CD 4.28Å; V740-K757 HydrophobicContact CG2-CG 4.26Å; V740-K757 PolarHBondContact N-O 3.27Å; R755-K757 PolarHBondContact O-N 2.96Å | ||
| 758 | L | 80.3 | Confident | 57 | Low | 55 Ų | 55 | 107.3 Ų | 107.3 | 29% | 0.288 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.4 | 176.8 | -55.6 | -179.7 | 0 | 0 | 0 | 109.1 | A455 E739 R756 H760 | A455-L758 HydrophobicContact CB-CD2 4Å; E739-L758 HydrophobicContact CB-CD2 4.05Å; E739-L758 HydrophobicContact CG-CD2 4.37Å; R756-L758 HydrophobicContact CB-CD2 4.27Å; R756-L758 HydrophobicContact CB-CG 4.33Å; R756-L758 PolarHBondContact O-N 2.83Å; L758-H760 WeakPolarHBondContact CB-NE2 3.34Å |
| 759 | V | 77.7 | Confident | 56.4 | Low | 33 Ų | 33 | 101.7 Ų | 101.7 | 20% | 0.2 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 110.1 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | P737 Y738 V740 F761 | P737-V759 WeakPolarHBondContact CA-O 3.38Å; Y738-V759 HydrophobicContact CD2-CB 4.36Å; Y738-V759 HydrophobicContact CE1-CB 4.37Å; Y738-V759 HydrophobicContact CE1-CG1 4.39Å; Y738-V759 HydrophobicContact CE2-CB 3.93Å; Y738-V759 HydrophobicContact CE2-CG2 3.85Å; Y738-V759 PolarHBondContact N-O 2.67Å; Y738-V759 PolarHBondContact O-N 3.09Å; V740-V759 HydrophobicContact CG2-CG2 3.55Å; V759-F761 HydrophobicContact CB-CE2 4.48Å; V759-F761 HydrophobicContact CG1-CD2 4.22Å; V759-F761 HydrophobicContact CG1-CE1 4.13Å; V759-F761 HydrophobicContact CG1-CE2 3.53Å; V759-F761 HydrophobicContact CG1-CZ 3.48Å; V759-F761 VanDerWaalsContact CG1-CZ 3.48Å |
| 760 | H | 71.3 | Confident | 55.2 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | trans | -100.9 | 128.1 | 173.4 | -69.7 | -94.8 | 0 | 0 | 0 | 108.6 | E664 L758 S762 | E664-H760 IonicContact OE1-ND1 3.39Å; E664-H760 PolarHBondContact OE1-ND1 2.86Å; L758-H760 WeakPolarHBondContact CB-NE2 3.34Å; H760-S762 VanDerWaalsContact C-N 3.28Å; H760-S762 PolarHBondContact O-N 3.26Å | ||
| 761 | F | 59.3 | Low | 54.9 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | trans | -99.6 | 56.9 | 168.1 | -59.3 | -85.1 | 0 | 0 | 0 | 108.2 | Q735 Y738 V759 | Q735-F761 HydrophobicContact CB-CD2 3.71Å; Q735-F761 HydrophobicContact CB-CE2 3.88Å; Q735-F761 HydrophobicContact CB-CG 4.21Å; Y738-F761 HydrophobicContact CD1-CE2 4.2Å; Y738-F761 AromaticContact CE1-CE2 3.6Å; Y738-F761 HydrophobicContact CE1-CE2 3.6Å; Y738-F761 HydrophobicContact CE1-CZ 4.04Å; V759-F761 HydrophobicContact CB-CE2 4.48Å; V759-F761 HydrophobicContact CG1-CD2 4.22Å; V759-F761 HydrophobicContact CG1-CE1 4.13Å; V759-F761 HydrophobicContact CG1-CE2 3.53Å; V759-F761 HydrophobicContact CG1-CZ 3.48Å; V759-F761 VanDerWaalsContact CG1-CZ 3.48Å | ||
| 762 | S | 47.2 | Very low | 55.4 | Low | 28 Ų | 28 | 102.6 Ų | 102.6 | 20% | 0.196 | 53% | 0.528 | C | S | . | . | trans | -77.7 | 135.1 | 173.2 | -52.2 | 0 | 0 | 0 | 0 | 108.3 | E664 H760 S764 | E664-S762 PolarHBondContact OE1-OG 3.31Å; E664-S762 WeakPolarHBondContact OE2-CB 3.33Å; E664-S762 PolarHBondContact OE2-OG 2.8Å; H760-S762 VanDerWaalsContact C-N 3.28Å; H760-S762 PolarHBondContact O-N 3.26Å; S762-S764 VanDerWaalsContact CB-OG 3.32Å; S762-S764 WeakPolarHBondContact CB-OG 3.07Å; S762-S764 PolarHBondContact O-N 2.86Å | ||
| 763 | P | 44.1 | Very low | 56.6 | Low | 60 Ų | 60 | 95.5 Ų | 95.5 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -56.2 | -13.1 | 170.9 | -22.8 | 31.8 | 0 | 0 | 0 | 113.7 | A769 | P763-A769 WeakPolarHBondContact O-CB 3.35Š|
| 764 | S | 39.8 | Very low | 58.4 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 51% | 0.51 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -94.4 | 10.1 | -170.6 | 33.8 | 0 | 0 | 0 | 0 | 115.7 | S762 S766 | S762-S764 VanDerWaalsContact CB-OG 3.32Å; S762-S764 WeakPolarHBondContact CB-OG 3.07Å; S762-S764 PolarHBondContact O-N 2.86Å; S764-S766 VanDerWaalsContact C-N 3.28Å; S764-S766 PolarHBondContact O-N 3.01Å |
| 765 | S | 38 | Very low | 60.2 | Low | 120 Ų | 120 | 81.9 Ų | 81.9 | 84% | 0.839 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -73.3 | -18 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 766 | S | 39.5 | Very low | 61.7 | Low | 65 Ų | 65 | 74.1 Ų | 74.1 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -90.7 | 122.8 | 159.8 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | S764 D768 A769 | S764-S766 VanDerWaalsContact C-N 3.28Å; S764-S766 PolarHBondContact O-N 3.01Å; S766-D768 PolarHBondContact O-N 3.42Å; S766-A769 PolarHBondContact O-N 3.36Å |
| 767 | Q | 40.5 | Very low | 63 | Low | 176 Ų | 176 | 72.2 Ų | 72.2 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -0.7 | 178.8 | -73.4 | -177.1 | -22.1 | 0 | 0 | 115 | ||
| 768 | D | 39.5 | Very low | 64.1 | Low | 156 Ų | 156 | 66.2 Ų | 66.2 | 83% | 0.834 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -3.1 | -176.2 | -65.6 | -37.1 | 0 | 0 | 0 | 115.2 | S766 F770 | S766-D768 PolarHBondContact O-N 3.42Å; D768-F770 PolarHBondContact O-N 2.9Å |
| 769 | A | 45.7 | Very low | 64.9 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | trans | -97.1 | 28.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P763 S766 G771 | P763-A769 WeakPolarHBondContact O-CB 3.35Å; S766-A769 PolarHBondContact O-N 3.36Å; A769-G771 PolarHBondContact O-N 2.93Å | ||
| 770 | F | 42.1 | Very low | 65.9 | Low | 176 Ų | 176 | 62.1 Ų | 62.1 | 77% | 0.772 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 95.8 | 171.8 | -81.1 | -86 | 0 | 0 | 0 | 110 | L673 D768 | L673-F770 HydrophobicContact CD2-CE1 4.37Å; D768-F770 PolarHBondContact O-N 2.9Å |
| 771 | G | 54 | Low | 67 | Low | 72 Ų | 72 | 60.5 Ų | 60.5 | 74% | 0.742 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136 | -3.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119 | A769 | A769-G771 PolarHBondContact O-N 2.93Š|
| 772 | E | 67.3 | Low | 68.7 | Low | 137 Ų | 137 | 61.1 Ų | 61.1 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | trans | -85.1 | -9 | -169.8 | -66.5 | -160.8 | 154.3 | 0 | 0 | 116.1 | C729 | C729-E772 PolarHBondContact SG-O 3.18Š| ||
| 773 | G | 83.2 | Confident | 71 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | trans | 73.3 | -165.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C729 M789 | C729-G773 PolarHBondContact SG-O 2.84Å; G773-M789 WeakPolarHBondContact CA-O 3.35Å | ||
| 774 | H | 90.7 | Very high | 73.6 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 165.8 | 171 | 75.8 | -104.4 | 0 | 0 | 0 | 110.8 | S665 Y666 L727 I734 M789 | S665-H774 PolarHBondContact OG-CE1 3.25Å; Y666-H774 AromaticContact CD2-CE1 3.73Å; Y666-H774 AromaticContact CD2-ND1 3.59Å; Y666-H774 AromaticContact CE2-ND1 3.49Å; Y666-H774 WeakPolarHBondContact CE2-ND1 3.41Å; L727-H774 WeakPolarHBondContact O-CB 3.45Å; I734-H774 HydrophobicContact CD1-CB 3.83Å; H774-M789 PolarHBondContact N-O 3.34Å; H774-M789 WeakPolarHBondContact NE2-CG 3.44Å; H774-M789 WeakPolarHBondContact O-CB 3.18Å; H774-M789 PolarHBondContact O-N 3.39Å |
| 775 | L | 94.3 | Very high | 76.4 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.2 | 178.3 | -56.7 | 175.9 | 0 | 0 | 0 | 110.8 | F726 L727 V786 F787 L788 L795 P835 | F726-L775 CarbonylContact C-O 3.54Å; F726-L775 WeakPolarHBondContact CA-O 3.43Å; L727-L775 HydrophobicContact CB-CB 4.17Å; L727-L775 PolarHBondContact N-O 3.4Å; L727-L775 PolarHBondContact O-N 2.82Å; L775-V786 HydrophobicContact CB-CG1 4.06Å; L775-V786 HydrophobicContact CD2-CG1 4.48Å; L775-F787 CarbonylContact C-O 3.59Å; L775-F787 WeakPolarHBondContact CA-O 3.02Å; L775-L788 HydrophobicContact CD2-CB 4.27Å; L775-L788 HydrophobicContact CD2-CD1 3.75Å; L775-L795 HydrophobicContact CD2-CD1 3.74Å; L775-P835 HydrophobicContact CD1-CB 3.6Å; L775-P835 HydrophobicContact CD1-CG 3.84Å |
| 776 | A | 95.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | W679 F726 V786 F787 M789 | W679-A776 HydrophobicContact CH2-CB 3.41Å; W679-A776 VanDerWaalsContact CH2-CB 3.41Å; W679-A776 HydrophobicContact CZ2-CB 3.94Å; W679-A776 HydrophobicContact CZ3-CB 4.16Å; F726-A776 HydrophobicContact CD1-CB 4.24Å; F726-A776 HydrophobicContact CE1-CB 4.29Å; A776-V786 CarbonylContact O-C 3.6Å; A776-V786 WeakPolarHBondContact O-CA 3.25Å; A776-F787 PolarHBondContact N-O 2.91Å; A776-F787 PolarHBondContact O-N 3.36Å; A776-M789 HydrophobicContact CB-CG 4.11Å |
| 777 | V | 97.6 | Very high | 81.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.2 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | F724 G725 L727 V786 V811 L834 | F724-V777 CarbonylContact C-O 3.57Å; F724-V777 WeakPolarHBondContact CA-O 3.4Å; G725-V777 PolarHBondContact N-O 2.82Å; G725-V777 PolarHBondContact O-N 2.86Å; L727-V777 HydrophobicContact CD1-CG2 3.97Å; L727-V777 HydrophobicContact CG-CG2 4.23Å; V777-V786 HydrophobicContact CG1-CG2 4.41Å; V777-V786 HydrophobicContact CG2-CG2 4.13Å; V777-V811 HydrophobicContact CG1-CG2 4.41Å; V777-L834 HydrophobicContact CB-CD2 4.45Å; V777-L834 HydrophobicContact CG1-CD1 4.37Å; V777-L834 HydrophobicContact CG1-CD2 3.79Å; V777-L834 HydrophobicContact CG2-CD1 4.09Å; V777-L834 HydrophobicContact CG2-CD2 3.74Å |
| 778 | V | 98 | Very high | 84.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.2 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | W679 V687 L717 V721 F724 A784 K785 F787 | W679-V778 HydrophobicContact CZ3-CG2 4.47Å; V687-V778 HydrophobicContact CG2-CG1 3.83Å; L717-V778 HydrophobicContact CD1-CB 4.38Å; L717-V778 HydrophobicContact CD1-CG1 3.69Å; L717-V778 HydrophobicContact CD2-CB 4.03Å; L717-V778 HydrophobicContact CD2-CG1 3.66Å; L717-V778 HydrophobicContact CG-CG1 4.35Å; V721-V778 HydrophobicContact CG1-CG1 3.78Å; F724-V778 HydrophobicContact CD1-CB 4.46Å; F724-V778 HydrophobicContact CD1-CG1 4.07Å; F724-V778 HydrophobicContact CD1-CG2 4.06Å; F724-V778 HydrophobicContact CE1-CG1 3.9Å; F724-V778 HydrophobicContact CE1-CG2 4.29Å; V778-A784 CarbonylContact O-C 3.59Å; V778-A784 WeakPolarHBondContact O-CA 3.49Å; V778-K785 PolarHBondContact N-O 3.13Å; V778-K785 PolarHBondContact O-N 2.83Å; V778-F787 HydrophobicContact CB-CE2 4.23Å; V778-F787 HydrophobicContact CG2-CD2 3.95Å; V778-F787 HydrophobicContact CG2-CE2 3.82Å |
| 779 | C | 98.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.9 | 174.9 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | L722 R723 I800 A809 L820 | L722-C779 PolarHBondContact N-O 2.95Å; R723-C779 HydrophobicContact CB-CB 4.32Å; R723-C779 PolarHBondContact N-O 2.76Å; R723-C779 PolarHBondContact O-N 2.82Å; C779-I800 VanDerWaalsContact SG-CD1 3.55Å; C779-A809 HydrophobicContact CB-CB 4.1Å; C779-L820 HydrophobicContact CB-CD1 4.11Å; C779-L820 HydrophobicContact CB-CD2 4.06Å |
| 780 | S | 97.4 | Very high | 89 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 177.6 | 168.8 | 74.8 | 0 | 0 | 0 | 0 | 111.1 | K718 S720 R782 Q783 | K718-S780 WeakPolarHBondContact O-CB 3.32Å; K718-S780 PolarHBondContact O-OG 3.21Å; S720-S780 CarbonylContact O-C 3.59Å; S720-S780 WeakPolarHBondContact O-CA 3.33Å; S720-S780 WeakPolarHBondContact O-CB 3.12Å; S780-R782 PolarHBondContact O-N 2.78Å; S780-R782 VanDerWaalsContact O-N 3.1Å; S780-R782 PolarHBondContact OG-N 3.16Å; S780-Q783 PolarHBondContact N-O 2.87Å; S780-Q783 VanDerWaalsContact OG-CG 3.29Å; S780-Q783 WeakPolarHBondContact OG-CG 3.42Å; S780-Q783 PolarHBondContact OG-N 3.44Å; S780-Q783 VanDerWaalsContact OG-N 3.11Å; S780-Q783 PolarHBondContact OG-O 2.96Å; S780-Q783 VanDerWaalsContact OG-O 3.08Å |
| 781 | E | 95.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 28.2 Ų | 28.2 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -57.1 | -20.1 | 173.5 | -77.7 | 179.4 | 173.7 | 0 | 0 | 114.7 | S720 L722 F805 V806 | S720-E781 VanDerWaalsContact CB-CD 3.5Å; S720-E781 PolarHBondContact O-N 3.44Å; L722-E781 HydrophobicContact CD1-CG 3.94Å; L722-E781 HydrophobicContact CD2-CG 4.01Å; L722-E781 HydrophobicContact CG-CG 4.09Å; E781-F805 HydrophobicContact CB-CB 4.13Å; E781-F805 CarbonylContact O-C 3.59Å; E781-F805 VanDerWaalsContact O-CA 3.27Å; E781-F805 WeakPolarHBondContact O-CA 3.12Å; E781-V806 PolarHBondContact O-N 3.38Å |
| 782 | R | 95.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 25.3 Ų | 25.3 | 34% | 0.343 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -123.7 | -25.1 | -173 | -58.2 | -65.1 | -173.3 | 143.7 | 0.9 | 113.9 | K718 S780 N799 I800 E802 S804 | K718-R782 HydrophobicContact CB-CB 4.22Å; K718-R782 WeakPolarHBondContact O-CB 3.47Å; S780-R782 PolarHBondContact O-N 2.78Å; S780-R782 VanDerWaalsContact O-N 3.1Å; S780-R782 PolarHBondContact OG-N 3.16Å; R782-N799 CarbonylContact O-C 3.55Å; R782-I800 PolarHBondContact O-N 3.41Å; R782-E802 PolarHBondContact NH1-O 3.5Å; R782-S804 WeakPolarHBondContact CD-O 3.27Å; R782-S804 PolarHBondContact NE-O 2.87Å; R782-S804 PolarHBondContact NH1-O 3.36Å |
| 783 | Q | 96 | Very high | 94 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 156 | -173.1 | 58.9 | 173.3 | 30 | 0 | 0 | 112.4 | L717 K718 S780 K785 H798 | L717-Q783 HydrophobicContact CB-CG 4.48Å; L717-Q783 HydrophobicContact CD2-CG 4.36Å; K718-Q783 HydrophobicContact CB-CG 4.19Å; S780-Q783 PolarHBondContact N-O 2.87Å; S780-Q783 VanDerWaalsContact OG-CG 3.29Å; S780-Q783 WeakPolarHBondContact OG-CG 3.42Å; S780-Q783 PolarHBondContact OG-N 3.44Å; S780-Q783 VanDerWaalsContact OG-N 3.11Å; S780-Q783 PolarHBondContact OG-O 2.96Å; S780-Q783 VanDerWaalsContact OG-O 3.08Å; Q783-K785 VanDerWaalsContact NE2-CE 3.28Å; Q783-H798 CarbonylContact C-O 3.56Å; Q783-H798 WeakPolarHBondContact CA-O 3.22Å; Q783-H798 VanDerWaalsContact CB-O 3.31Å; Q783-H798 WeakPolarHBondContact CB-O 3.3Å |
| 784 | A | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V778 V797 H798 I800 L820 L832 L837 | V778-A784 CarbonylContact O-C 3.59Å; V778-A784 WeakPolarHBondContact O-CA 3.49Å; A784-V797 WeakPolarHBondContact O-CA 3.49Å; A784-H798 PolarHBondContact N-O 2.73Å; A784-H798 PolarHBondContact O-N 2.81Å; A784-I800 HydrophobicContact CB-CD1 4.19Å; A784-L820 HydrophobicContact CB-CD2 3.5Å; A784-L832 HydrophobicContact CB-CD1 4.45Å; A784-L837 HydrophobicContact CB-CD1 3.91Å; A784-L837 HydrophobicContact CB-CD2 3.85Å; A784-L837 WeakPolarHBondContact O-CD1 3.49Å |
| 785 | K | 98.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 27.1 Ų | 27.1 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.5 | 174 | -67.4 | -170 | 172 | 172.4 | 0 | 110.6 | M716 L717 V778 Q783 F787 F796 V797 | M716-K785 PolarHBondContact O-NZ 2.82Å; L717-K785 HydrophobicContact CD2-CB 4.3Å; L717-K785 HydrophobicContact CD2-CD 4.2Å; L717-K785 HydrophobicContact CD2-CG 4.1Å; L717-K785 HydrophobicContact CG-CD 4.16Å; V778-K785 PolarHBondContact N-O 3.13Å; V778-K785 PolarHBondContact O-N 2.83Å; Q783-K785 VanDerWaalsContact NE2-CE 3.28Å; K785-F787 HydrophobicContact CB-CD2 4.36Å; K785-F787 HydrophobicContact CB-CE2 3.62Å; K785-F787 HydrophobicContact CB-CZ 3.87Å; K785-F787 HydrophobicContact CD-CE1 4.45Å; K785-F787 HydrophobicContact CD-CE2 4.25Å; K785-F787 HydrophobicContact CD-CZ 3.67Å; K785-F787 HydrophobicContact CG-CZ 4.44Å; K785-F796 CarbonylContact C-O 3.59Å; K785-F796 VanDerWaalsContact CA-O 3.29Å; K785-F796 WeakPolarHBondContact CA-O 3.34Å; K785-V797 HydrophobicContact CD-CG2 4.38Å; K785-V797 HydrophobicContact CG-CB 4.48Å; K785-V797 HydrophobicContact CG-CG1 4.13Å; K785-V797 HydrophobicContact CG-CG2 4.09Å |
| 786 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | L775 A776 V777 C794 L795 F796 L834 P835 L837 | L775-V786 HydrophobicContact CB-CG1 4.06Å; L775-V786 HydrophobicContact CD2-CG1 4.48Å; A776-V786 CarbonylContact O-C 3.6Å; A776-V786 WeakPolarHBondContact O-CA 3.25Å; V777-V786 HydrophobicContact CG1-CG2 4.41Å; V777-V786 HydrophobicContact CG2-CG2 4.13Å; V786-C794 CarbonylContact O-C 3.47Å; V786-L795 PolarHBondContact O-N 2.93Å; V786-F796 HydrophobicContact CB-CB 4.21Å; V786-F796 HydrophobicContact CB-CD2 4.12Å; V786-F796 HydrophobicContact CG1-CD2 4.41Å; V786-F796 HydrophobicContact CG2-CB 4.4Å; V786-F796 PolarHBondContact N-O 3.37Å; V786-F796 PolarHBondContact O-N 3.28Å; V786-L834 HydrophobicContact CG2-CD2 4.16Å; V786-P835 HydrophobicContact CG1-CB 4.21Å; V786-P835 WeakPolarHBondContact CG2-O 3.26Å; V786-L837 HydrophobicContact CG2-CD1 3.94Å; V786-L837 HydrophobicContact CG2-CD2 4.17Å; V786-L837 HydrophobicContact CG2-CG 3.87Å |
| 787 | F | 94.9 | Very high | 95 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.6 | -178.5 | -59.9 | -87.2 | 0 | 0 | 0 | 111.1 | Q715 L775 A776 V778 K785 S793 C794 | Q715-F787 HydrophobicContact CB-CZ 4.36Å; L775-F787 CarbonylContact C-O 3.59Å; L775-F787 WeakPolarHBondContact CA-O 3.02Å; A776-F787 PolarHBondContact N-O 2.91Å; A776-F787 PolarHBondContact O-N 3.36Å; V778-F787 HydrophobicContact CB-CE2 4.23Å; V778-F787 HydrophobicContact CG2-CD2 3.95Å; V778-F787 HydrophobicContact CG2-CE2 3.82Å; K785-F787 HydrophobicContact CB-CD2 4.36Å; K785-F787 HydrophobicContact CB-CE2 3.62Å; K785-F787 HydrophobicContact CB-CZ 3.87Å; K785-F787 HydrophobicContact CD-CE1 4.45Å; K785-F787 HydrophobicContact CD-CE2 4.25Å; K785-F787 HydrophobicContact CD-CZ 3.67Å; K785-F787 HydrophobicContact CG-CZ 4.44Å; F787-S793 CarbonylContact C-O 3.51Å; F787-S793 VanDerWaalsContact CA-O 3.3Å; F787-S793 WeakPolarHBondContact CA-O 3.2Å; F787-C794 HydrophobicContact CD1-CB 3.78Å; F787-C794 HydrophobicContact CE1-CB 3.67Å |
| 788 | L | 93.5 | Very high | 95 | Very high | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.5 | 171.9 | 178 | 64.1 | 0 | 0 | 0 | 110.8 | L775 S791 Q792 S793 L795 | L775-L788 HydrophobicContact CD2-CB 4.27Å; L775-L788 HydrophobicContact CD2-CD1 3.75Å; L788-S791 CarbonylContact O-C 3.6Å; L788-S791 PolarHBondContact O-N 2.87Å; L788-S791 PolarHBondContact O-OG 2.6Å; L788-Q792 VanDerWaalsContact O-CA 3.3Å; L788-Q792 WeakPolarHBondContact O-CA 3.49Å; L788-Q792 PolarHBondContact O-N 2.9Å; L788-S793 PolarHBondContact N-O 2.87Å; L788-S793 PolarHBondContact O-N 2.86Å; L788-L795 HydrophobicContact CB-CD1 3.96Å; L788-L795 HydrophobicContact CB-CD2 4.22Å; L788-L795 HydrophobicContact CB-CG 4.02Å |
| 789 | M | 91.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 143.2 | 177.7 | -54.7 | -60.1 | -72.5 | 0 | 0 | 110.8 | Y666 W679 L689 G773 H774 A776 Q792 | Y666-M789 HydrophobicContact CD2-CB 3.64Å; Y666-M789 HydrophobicContact CE2-CB 4.31Å; Y666-M789 HydrophobicContact CG-CB 4.45Å; Y666-M789 VanDerWaalsContact O-CE 3.26Å; Y666-M789 WeakPolarHBondContact O-CE 3.42Å; W679-M789 HydrophobicContact CH2-CE 4.24Å; W679-M789 HydrophobicContact CH2-SD 4.3Å; W679-M789 HydrophobicContact CZ2-CE 4.23Å; L689-M789 HydrophobicContact CD2-CE 3.86Å; G773-M789 WeakPolarHBondContact CA-O 3.35Å; H774-M789 PolarHBondContact N-O 3.34Å; H774-M789 WeakPolarHBondContact NE2-CG 3.44Å; H774-M789 WeakPolarHBondContact O-CB 3.18Å; H774-M789 PolarHBondContact O-N 3.39Å; A776-M789 HydrophobicContact CB-CG 4.11Å; M789-Q792 HydrophobicContact CE-CG 3.75Å; M789-Q792 HydrophobicContact SD-CB 4.45Å; M789-Q792 HydrophobicContact SD-CG 3.53Å; M789-Q792 VanDerWaalsContact SD-CG 3.53Å |
| 790 | P | 89.6 | Confident | 94.7 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -80.9 | -14.2 | 5 | 30.8 | -35.6 | 0 | 0 | 0 | 114.8 | Y666 K669 Q792 | Y666-P790 HydrophobicContact CD1-CB 3.75Å; Y666-P790 HydrophobicContact CD1-CG 4.13Å; Y666-P790 HydrophobicContact CD2-CB 4.37Å; Y666-P790 HydrophobicContact CE1-CB 4.5Å; Y666-P790 HydrophobicContact CE1-CG 4.42Å; Y666-P790 HydrophobicContact CG-CB 3.67Å; Y666-P790 HydrophobicContact CG-CG 4.38Å; K669-P790 WeakPolarHBondContact CA-O 3.32Å; P790-Q792 WeakPolarHBondContact O-CG 3.4Å; P790-Q792 PolarHBondContact O-N 3.25Å |
| 791 | S | 88.6 | Confident | 94.3 | Very high | 49 Ų | 49 | 41 Ų | 41 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.1 | -172.3 | 75.7 | 0 | 0 | 0 | 0 | 114.8 | L788 S793 | L788-S791 CarbonylContact O-C 3.6Å; L788-S791 PolarHBondContact O-N 2.87Å; L788-S791 PolarHBondContact O-OG 2.6Å; S791-S793 PolarHBondContact O-N 3.47Å; S791-S793 WeakPolarHBondContact OG-CB 3.3Å; S791-S793 PolarHBondContact OG-N 3.28Å; S791-S793 PolarHBondContact OG-OG 3.42Å |
| 792 | Q | 89.3 | Confident | 93.7 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27 | -172.4 | -65.8 | 161.7 | 10.2 | 0 | 0 | 113.2 | K669 Q715 L788 M789 P790 C794 | K669-Q792 HydrophobicContact CG-CG 4.37Å; K669-Q792 VanDerWaalsContact CG-OE1 3.28Å; Q715-Q792 PolarHBondContact NE2-O 2.66Å; L788-Q792 VanDerWaalsContact O-CA 3.3Å; L788-Q792 WeakPolarHBondContact O-CA 3.49Å; L788-Q792 PolarHBondContact O-N 2.9Å; M789-Q792 HydrophobicContact CE-CG 3.75Å; M789-Q792 HydrophobicContact SD-CB 4.45Å; M789-Q792 HydrophobicContact SD-CG 3.53Å; M789-Q792 VanDerWaalsContact SD-CG 3.53Å; P790-Q792 WeakPolarHBondContact O-CG 3.4Å; P790-Q792 PolarHBondContact O-N 3.25Å; Q792-C794 PolarHBondContact O-N 2.59Å |
| 793 | S | 91.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123.4 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | F787 L788 S791 L795 | F787-S793 CarbonylContact C-O 3.51Å; F787-S793 VanDerWaalsContact CA-O 3.3Å; F787-S793 WeakPolarHBondContact CA-O 3.2Å; L788-S793 PolarHBondContact N-O 2.87Å; L788-S793 PolarHBondContact O-N 2.86Å; S791-S793 PolarHBondContact O-N 3.47Å; S791-S793 WeakPolarHBondContact OG-CB 3.3Å; S791-S793 PolarHBondContact OG-N 3.28Å; S791-S793 PolarHBondContact OG-OG 3.42Å; S793-L795 PolarHBondContact O-N 3.16Å |
| 794 | C | 94.9 | Very high | 93 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 111.3 | 174.6 | -170 | 0 | 0 | 0 | 0 | 109.2 | V786 F787 Q792 V797 | V786-C794 CarbonylContact O-C 3.47Å; F787-C794 HydrophobicContact CD1-CB 3.78Å; F787-C794 HydrophobicContact CE1-CB 3.67Å; Q792-C794 PolarHBondContact O-N 2.59Å; C794-V797 WeakPolarHBondContact SG-CG2 3.4Å |
| 795 | L | 95.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -42.8 | -177.5 | -60.5 | -172.3 | 0 | 0 | 0 | 111.9 | L775 V786 L788 S793 | L775-L795 HydrophobicContact CD2-CD1 3.74Å; V786-L795 PolarHBondContact O-N 2.93Å; L788-L795 HydrophobicContact CB-CD1 3.96Å; L788-L795 HydrophobicContact CB-CD2 4.22Å; L788-L795 HydrophobicContact CB-CG 4.02Å; S793-L795 PolarHBondContact O-N 3.16Å |
| 796 | F | 97.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.5 | -175.2 | -56 | -75.9 | 0 | 0 | 0 | 110.5 | K785 V786 P835 L837 | K785-F796 CarbonylContact C-O 3.59Å; K785-F796 VanDerWaalsContact CA-O 3.29Å; K785-F796 WeakPolarHBondContact CA-O 3.34Å; V786-F796 HydrophobicContact CB-CB 4.21Å; V786-F796 HydrophobicContact CB-CD2 4.12Å; V786-F796 HydrophobicContact CG1-CD2 4.41Å; V786-F796 HydrophobicContact CG2-CB 4.4Å; V786-F796 PolarHBondContact N-O 3.37Å; V786-F796 PolarHBondContact O-N 3.28Å; F796-P835 HydrophobicContact CD2-CB 4.49Å; F796-P835 WeakPolarHBondContact CD2-O 3.34Å; F796-P835 HydrophobicContact CE2-CB 4.33Å; F796-P835 HydrophobicContact CE2-CG 4.49Å; F796-L837 HydrophobicContact CB-CB 4.45Å; F796-L837 HydrophobicContact CB-CD1 3.95Å; F796-L837 HydrophobicContact CB-CG 4.18Å |
| 797 | V | 97.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.5 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | A784 K785 C794 | A784-V797 WeakPolarHBondContact O-CA 3.49Å; K785-V797 HydrophobicContact CD-CG2 4.38Å; K785-V797 HydrophobicContact CG-CB 4.48Å; K785-V797 HydrophobicContact CG-CG1 4.13Å; K785-V797 HydrophobicContact CG-CG2 4.09Å; C794-V797 WeakPolarHBondContact SG-CG2 3.4Å |
| 798 | H | 97.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.9 | 174 | -173.5 | 87.7 | 0 | 0 | 0 | 109.9 | Q783 A784 I800 L832 L837 | Q783-H798 CarbonylContact C-O 3.56Å; Q783-H798 WeakPolarHBondContact CA-O 3.22Å; Q783-H798 VanDerWaalsContact CB-O 3.31Å; Q783-H798 WeakPolarHBondContact CB-O 3.3Å; A784-H798 PolarHBondContact N-O 2.73Å; A784-H798 PolarHBondContact O-N 2.81Å; H798-I800 PolarHBondContact O-N 2.79Å; H798-L832 HydrophobicContact CB-CD1 4.25Å; H798-L837 HydrophobicContact CB-CB 3.85Å; H798-L837 HydrophobicContact CB-CD1 4.05Å; H798-L837 PolarHBondContact ND1-O 2.72Å |
| 799 | N | 95.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 105.5 | 171.8 | -63.5 | -39.9 | 0 | 0 | 0 | 107.9 | R782 | R782-N799 CarbonylContact O-C 3.55Å |
| 800 | I | 94.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | -67.9 | -45.1 | -173.8 | -60.4 | 168.2 | 0 | 0 | 0 | 110.2 | C779 R782 A784 H798 V806 M830 L832 | C779-I800 VanDerWaalsContact SG-CD1 3.55Å; R782-I800 PolarHBondContact O-N 3.41Å; A784-I800 HydrophobicContact CB-CD1 4.19Å; H798-I800 PolarHBondContact O-N 2.79Å; I800-V806 HydrophobicContact CB-CG2 4.06Å; I800-V806 HydrophobicContact CD1-CG2 3.79Å; I800-V806 HydrophobicContact CG2-CG2 3.57Å; I800-M830 HydrophobicContact CG2-CE 4.42Å; I800-M830 HydrophobicContact CG2-SD 3.97Å; I800-L832 HydrophobicContact CG1-CD1 4.34Å | ||
| 801 | T | 87.7 | Confident | 93 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | trans | -155 | 134.1 | -179.1 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S804 | T801-S804 VanDerWaalsContact CG2-C 3.42Å; T801-S804 VanDerWaalsContact CG2-O 3.27Å; T801-S804 WeakPolarHBondContact CG2-O 3.46Å; T801-S804 WeakPolarHBondContact OG1-CB 3.37Å; T801-S804 PolarHBondContact OG1-N 3.31Å | ||
| 802 | E | 84.3 | Confident | 93.2 | Very high | 168 Ų | 168 | 49.7 Ų | 49.7 | 79% | 0.785 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -95 | -34.4 | 175.8 | -61.7 | -171.3 | 164.6 | 0 | 0 | 112 | R782 | R782-E802 PolarHBondContact NH1-O 3.5Š|
| 803 | S | 85.6 | Confident | 93.3 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 80% | 0.804 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -97 | -10.4 | -174.4 | 59 | 0 | 0 | 0 | 0 | 114.3 | ||
| 804 | S | 91 | Very high | 93.1 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -138.4 | -162 | -179.1 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | R782 T801 N826 | R782-S804 WeakPolarHBondContact CD-O 3.27Å; R782-S804 PolarHBondContact NE-O 2.87Å; R782-S804 PolarHBondContact NH1-O 3.36Å; T801-S804 VanDerWaalsContact CG2-C 3.42Å; T801-S804 VanDerWaalsContact CG2-O 3.27Å; T801-S804 WeakPolarHBondContact CG2-O 3.46Å; T801-S804 WeakPolarHBondContact OG1-CB 3.37Å; T801-S804 PolarHBondContact OG1-N 3.31Å; S804-N826 PolarHBondContact OG-N 3.05Å |
| 805 | F | 92.3 | Very high | 92.3 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 26% | 0.263 | 27% | 0.266 | S | S | . | . | trans | -144.6 | 154.3 | 176 | 56.5 | -83.8 | 0 | 0 | 0 | 111 | I623 E781 L807 C824 A825 | I623-F805 HydrophobicContact CD1-CE2 3.92Å; I623-F805 HydrophobicContact CD1-CZ 4.1Å; E781-F805 HydrophobicContact CB-CB 4.13Å; E781-F805 CarbonylContact O-C 3.59Å; E781-F805 VanDerWaalsContact O-CA 3.27Å; E781-F805 WeakPolarHBondContact O-CA 3.12Å; F805-L807 HydrophobicContact CD2-CD2 4.18Å; F805-L807 HydrophobicContact CE2-CD2 3.51Å; F805-L807 HydrophobicContact CE2-CG 4.27Å; F805-L807 HydrophobicContact CZ-CD2 4.34Å; F805-C824 CarbonylContact O-C 3.56Å; F805-C824 WeakPolarHBondContact O-CA 3.31Å; F805-A825 HydrophobicContact CD1-CB 4.02Å; F805-A825 HydrophobicContact CD2-CB 4.04Å; F805-A825 HydrophobicContact CE1-CB 3.71Å; F805-A825 HydrophobicContact CE2-CB 3.76Å; F805-A825 HydrophobicContact CG-CB 4.18Å; F805-A825 HydrophobicContact CZ-CB 3.57Å; F805-A825 PolarHBondContact O-N 3Å | ||
| 806 | V | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.4 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L722 E781 I800 R808 A809 C822 | L722-V806 HydrophobicContact CD1-CB 3.79Å; L722-V806 HydrophobicContact CD1-CG1 3.83Å; L722-V806 WeakPolarHBondContact CD1-O 3.47Å; E781-V806 PolarHBondContact O-N 3.38Å; I800-V806 HydrophobicContact CB-CG2 4.06Å; I800-V806 HydrophobicContact CD1-CG2 3.79Å; I800-V806 HydrophobicContact CG2-CG2 3.57Å; V806-R808 VanDerWaalsContact CG1-O 3.28Å; V806-R808 WeakPolarHBondContact CG1-O 3.47Å; V806-A809 HydrophobicContact CG1-CB 4.11Å; V806-C822 HydrophobicContact CG1-CB 4.06Å |
| 807 | L | 92.3 | Very high | 91 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.199 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -40.5 | 174.8 | -73.2 | 171.9 | 0 | 0 | 0 | 112 | I623 F805 F823 A825 L848 A854 | I623-L807 HydrophobicContact CD1-CD2 3.78Å; F805-L807 HydrophobicContact CD2-CD2 4.18Å; F805-L807 HydrophobicContact CE2-CD2 3.51Å; F805-L807 HydrophobicContact CE2-CG 4.27Å; F805-L807 HydrophobicContact CZ-CD2 4.34Å; L807-F823 HydrophobicContact CB-CD1 4.44Å; L807-F823 HydrophobicContact CD1-CD1 4.36Å; L807-F823 HydrophobicContact CD1-CE1 4.25Å; L807-F823 PolarHBondContact N-O 3.26Å; L807-A825 HydrophobicContact CD1-CB 4.02Å; L807-A825 HydrophobicContact CD2-CB 4.29Å; L807-A825 HydrophobicContact CG-CB 3.91Å; L807-L848 HydrophobicContact CD1-CD1 3.35Å; L807-A854 HydrophobicContact CD1-CB 3.91Å; L807-A854 HydrophobicContact CD2-CB 4.49Å |
| 808 | R | 93.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 35% | 0.347 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.5 | -179.4 | -171.9 | 67.7 | -173.9 | -169.5 | -8.2 | 110 | R723 V806 D810 C822 F823 F857 F859 | R723-R808 VanDerWaalsContact NH2-NH2 3.18Å; V806-R808 VanDerWaalsContact CG1-O 3.28Å; V806-R808 WeakPolarHBondContact CG1-O 3.47Å; R808-D810 IonicContact CZ-OD2 2.85Å; R808-D810 IonicContact NE-OD1 2.93Å; R808-D810 IonicContact NE-OD2 2.81Å; R808-D810 PolarHBondContact NE-OD2 2.75Å; R808-D810 IonicContact NH2-OD1 2.78Å; R808-D810 IonicContact NH2-OD2 3.32Å; R808-C822 CarbonylContact O-C 3.52Å; R808-C822 WeakPolarHBondContact O-CA 3.38Å; R808-F823 HydrophobicContact CB-CB 4.32Å; R808-F823 PolarHBondContact N-O 2.96Å; R808-F823 PolarHBondContact O-N 3.02Å; R808-F857 HydrophobicContact CB-CD1 4.45Å; R808-F857 HydrophobicContact CG-CD1 4.49Å; R808-F859 HydrophobicContact CB-CE2 4.5Å; R808-F859 HydrophobicContact CG-CD2 4.11Å; R808-F859 HydrophobicContact CG-CE2 4.38Å |
| 809 | A | 96.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | R723 C779 V806 L820 A821 | R723-A809 HydrophobicContact CB-CB 4.02Å; R723-A809 WeakPolarHBondContact CB-O 3.33Å; R723-A809 WeakPolarHBondContact CG-O 3.3Å; R723-A809 PolarHBondContact NE-O 3.29Å; C779-A809 HydrophobicContact CB-CB 4.1Å; V806-A809 HydrophobicContact CG1-CB 4.11Å; A809-L820 HydrophobicContact CB-CD1 4.3Å; A809-A821 VanDerWaalsContact CA-O 3.28Å; A809-A821 WeakPolarHBondContact CA-O 3.49Å |
| 810 | D | 96.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.5 | -178.3 | -75.7 | -56.7 | 0 | 0 | 0 | 109.4 | R723 R808 V812 A821 F859 | R723-D810 IonicContact CZ-OD1 2.92Å; R723-D810 IonicContact NE-OD1 3.99Å; R723-D810 PolarHBondContact NE-OD1 2.87Å; R723-D810 VanDerWaalsContact NE-OD1 3.17Å; R723-D810 IonicContact NH2-OD1 2.75Å; R723-D810 PolarHBondContact NH2-OD1 2.79Å; R808-D810 IonicContact CZ-OD2 2.85Å; R808-D810 IonicContact NE-OD1 2.93Å; R808-D810 IonicContact NE-OD2 2.81Å; R808-D810 PolarHBondContact NE-OD2 2.75Å; R808-D810 IonicContact NH2-OD1 2.78Å; R808-D810 IonicContact NH2-OD2 3.32Å; D810-V812 HydrophobicContact CB-CG1 3.94Å; D810-A821 PolarHBondContact N-O 3.37Å; D810-A821 PolarHBondContact O-N 2.71Å; D810-F859 HydrophobicContact CB-CB 3.7Å; D810-F859 HydrophobicContact CB-CD2 4.07Å; D810-F859 HydrophobicContact CB-CG 4.26Å |
| 811 | V | 95.6 | Very high | 91 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.6 | 170.4 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | L733 V777 V818 C819 L820 L834 | L733-V811 HydrophobicContact CD1-CG1 3.81Å; V777-V811 HydrophobicContact CG1-CG2 4.41Å; V811-V818 HydrophobicContact CG1-CG1 3.53Å; V811-C819 WeakPolarHBondContact CA-O 3.35Å; V811-L820 HydrophobicContact CG2-CD1 4.02Å; V811-L834 HydrophobicContact CG1-CD1 3.74Å; V811-L834 HydrophobicContact CG2-CD1 4.26Å |
| 812 | V | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.4 | -168.7 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | D810 V818 C819 A821 F859 | D810-V812 HydrophobicContact CB-CG1 3.94Å; V812-V818 WeakPolarHBondContact O-CA 3.29Å; V812-C819 VanDerWaalsContact CG2-SG 3.52Å; V812-C819 PolarHBondContact N-O 3.44Å; V812-C819 PolarHBondContact O-N 2.73Å; V812-A821 HydrophobicContact CG2-CB 4.15Å; V812-F859 HydrophobicContact CG1-CB 4.22Å |
| 813 | S | 90.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.4 | 165.9 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | S817 N861 E862 | S813-S817 CarbonylContact C-O 3.46Å; S813-S817 WeakPolarHBondContact CA-O 3.34Å; S813-N861 PolarHBondContact N-OD1 2.59Å; S813-E862 PolarHBondContact O-N 3.14Å |
| 814 | L | 86.8 | Confident | 92.3 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 119.4 | 178.7 | 177.8 | 66 | 0 | 0 | 0 | 109.5 | N816 S817 Y879 | L814-N816 PolarHBondContact O-N 3.02Å; L814-S817 PolarHBondContact N-O 2.9Å; L814-S817 CarbonylContact O-C 3.55Å; L814-S817 WeakPolarHBondContact O-CA 3.46Å; L814-S817 WeakPolarHBondContact O-CB 3.27Å; L814-S817 PolarHBondContact O-N 3.11Å; L814-S817 VanDerWaalsContact O-O 3.12Å; L814-Y879 HydrophobicContact CD2-CD2 4.46Å; L814-Y879 HydrophobicContact CD2-CE2 4.35Å |
| 815 | C | 78.9 | Confident | 92.2 | Very high | 61 Ų | 61 | 30.8 Ų | 30.8 | 41% | 0.412 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 49.6 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | S817 | C815-S817 PolarHBondContact O-N 2.99Å; C815-S817 VanDerWaalsContact O-N 3.16Å |
| 816 | N | 79.1 | Confident | 92 | Very high | 167 Ų | 167 | 30.8 Ų | 30.8 | 89% | 0.893 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 15.7 | -175.9 | -55.4 | -40 | 0 | 0 | 0 | 115.4 | L814 | L814-N816 PolarHBondContact O-N 3.02Š|
| 817 | S | 87.9 | Confident | 91.6 | Very high | 77 Ų | 77 | 30.7 Ų | 30.7 | 54% | 0.538 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 166.8 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | S813 L814 C815 | S813-S817 CarbonylContact C-O 3.46Å; S813-S817 WeakPolarHBondContact CA-O 3.34Å; L814-S817 PolarHBondContact N-O 2.9Å; L814-S817 CarbonylContact O-C 3.55Å; L814-S817 WeakPolarHBondContact O-CA 3.46Å; L814-S817 WeakPolarHBondContact O-CB 3.27Å; L814-S817 PolarHBondContact O-N 3.11Å; L814-S817 VanDerWaalsContact O-O 3.12Å; C815-S817 PolarHBondContact O-N 2.99Å; C815-S817 VanDerWaalsContact O-N 3.16Å |
| 818 | V | 93.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.4 | 177.5 | -165.8 | 0 | 0 | 0 | 0 | 109.5 | L727 L733 V811 V812 L834 | L727-V818 HydrophobicContact CD2-CB 4.12Å; L727-V818 HydrophobicContact CD2-CG1 3.82Å; L727-V818 HydrophobicContact CD2-CG2 4.25Å; L733-V818 HydrophobicContact CB-CG1 4.4Å; L733-V818 HydrophobicContact CB-CG2 3.82Å; L733-V818 HydrophobicContact CD1-CG1 4.13Å; V811-V818 HydrophobicContact CG1-CG1 3.53Å; V812-V818 WeakPolarHBondContact O-CA 3.29Å; V818-L834 HydrophobicContact CG1-CD1 4.04Å; V818-L834 WeakPolarHBondContact O-CB 3.25Å; V818-L834 PolarHBondContact O-N 3.01Å |
| 819 | C | 96.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.1 | 175.2 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | V811 V812 L832 L840 | V811-C819 WeakPolarHBondContact CA-O 3.35Å; V812-C819 VanDerWaalsContact CG2-SG 3.52Å; V812-C819 PolarHBondContact N-O 3.44Å; V812-C819 PolarHBondContact O-N 2.73Å; C819-L832 CarbonylContact C-O 3.6Å; C819-L832 VanDerWaalsContact CA-O 3.29Å; C819-L832 WeakPolarHBondContact CA-O 3.09Å; C819-L832 VanDerWaalsContact CB-O 3.26Å; C819-L832 WeakPolarHBondContact CB-O 3.34Å; C819-L840 HydrophobicContact CB-CD1 4.27Å |
| 820 | L | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.3 | 169.7 | 174.6 | 64.6 | 0 | 0 | 0 | 107.9 | C779 A784 A809 V811 T831 L832 L834 L837 | C779-L820 HydrophobicContact CB-CD1 4.11Å; C779-L820 HydrophobicContact CB-CD2 4.06Å; A784-L820 HydrophobicContact CB-CD2 3.5Å; A809-L820 HydrophobicContact CB-CD1 4.3Å; V811-L820 HydrophobicContact CG2-CD1 4.02Å; L820-T831 CarbonylContact O-C 3.6Å; L820-T831 WeakPolarHBondContact O-CA 3.21Å; L820-L832 HydrophobicContact CB-CB 4.37Å; L820-L832 HydrophobicContact CD2-CD1 4.31Å; L820-L832 PolarHBondContact N-O 3.2Å; L820-L832 PolarHBondContact O-N 2.79Å; L820-L834 HydrophobicContact CB-CD1 4.21Å; L820-L834 HydrophobicContact CB-CD2 4.47Å; L820-L834 HydrophobicContact CB-CG 4.34Å; L820-L837 HydrophobicContact CD2-CD2 4.31Å |
| 821 | A | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A809 D810 V812 M830 T831 F859 | A809-A821 VanDerWaalsContact CA-O 3.28Å; A809-A821 WeakPolarHBondContact CA-O 3.49Å; D810-A821 PolarHBondContact N-O 3.37Å; D810-A821 PolarHBondContact O-N 2.71Å; V812-A821 HydrophobicContact CG2-CB 4.15Å; A821-M830 CarbonylContact C-O 3.51Å; A821-M830 WeakPolarHBondContact CA-O 3.31Å; A821-T831 HydrophobicContact CB-CG2 4.25Å; A821-F859 HydrophobicContact CB-CD1 3.74Å; A821-F859 HydrophobicContact CB-CD2 4.11Å; A821-F859 HydrophobicContact CB-CE1 3.79Å; A821-F859 HydrophobicContact CB-CE2 4.15Å; A821-F859 HydrophobicContact CB-CG 3.91Å; A821-F859 HydrophobicContact CB-CZ 3.99Å |
| 822 | C | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.4 | -177.1 | -69.2 | 0 | 0 | 0 | 0 | 110.3 | V806 R808 V829 M830 | V806-C822 HydrophobicContact CG1-CB 4.06Å; R808-C822 CarbonylContact O-C 3.52Å; R808-C822 WeakPolarHBondContact O-CA 3.38Å; C822-V829 CarbonylContact O-C 3.54Å; C822-V829 WeakPolarHBondContact O-CA 3.49Å; C822-M830 HydrophobicContact CB-CB 4.44Å; C822-M830 PolarHBondContact N-O 3.16Å; C822-M830 PolarHBondContact O-N 3.04Å |
| 823 | F | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.9 | 169.4 | -179.5 | -128.4 | 0 | 0 | 0 | 109.1 | L807 R808 H828 V829 L848 I853 F857 F859 | L807-F823 HydrophobicContact CB-CD1 4.44Å; L807-F823 HydrophobicContact CD1-CD1 4.36Å; L807-F823 HydrophobicContact CD1-CE1 4.25Å; L807-F823 PolarHBondContact N-O 3.26Å; R808-F823 HydrophobicContact CB-CB 4.32Å; R808-F823 PolarHBondContact N-O 2.96Å; R808-F823 PolarHBondContact O-N 3.02Å; F823-H828 WeakPolarHBondContact CA-O 3.27Å; F823-V829 HydrophobicContact CD2-CG2 3.79Å; F823-V829 HydrophobicContact CE2-CG2 4.33Å; F823-L848 HydrophobicContact CE1-CD1 3.71Å; F823-L848 HydrophobicContact CE1-CD2 3.86Å; F823-L848 HydrophobicContact CE1-CG 4.14Å; F823-L848 HydrophobicContact CE2-CD1 4.24Å; F823-L848 HydrophobicContact CZ-CD1 3.51Å; F823-L848 HydrophobicContact CZ-CD2 3.72Å; F823-L848 HydrophobicContact CZ-CG 3.67Å; F823-I853 HydrophobicContact CE1-CG2 4.12Å; F823-I853 HydrophobicContact CZ-CG2 4.2Å; F823-F857 HydrophobicContact CB-CD1 4.03Å; F823-F857 HydrophobicContact CB-CE1 3.91Å; F823-F857 HydrophobicContact CB-CZ 4.24Å; F823-F857 HydrophobicContact CD1-CB 4.05Å; F823-F857 HydrophobicContact CD1-CD1 4.02Å; F823-F857 AromaticContact CD1-CD2 3.73Å; F823-F857 HydrophobicContact CD1-CD2 3.73Å; F823-F857 HydrophobicContact CD1-CE1 4.46Å; F823-F857 HydrophobicContact CD1-CE2 4.17Å; F823-F857 AromaticContact CD1-CG 3.64Å; F823-F857 HydrophobicContact CD1-CG 3.64Å; F823-F857 HydrophobicContact CD2-CE2 4.2Å; F823-F857 HydrophobicContact CD2-CZ 4.33Å; F823-F857 HydrophobicContact CE1-CB 4.28Å; F823-F857 AromaticContact CE1-CD2 3.73Å; F823-F857 HydrophobicContact CE1-CD2 3.73Å; F823-F857 HydrophobicContact CE1-CE2 4.28Å; F823-F857 HydrophobicContact CE1-CG 4.02Å; F823-F857 HydrophobicContact CE2-CE2 4.32Å; F823-F857 HydrophobicContact CG-CD1 4.17Å; F823-F857 HydrophobicContact CG-CD2 4.14Å; F823-F857 HydrophobicContact CG-CE1 4.17Å; F823-F857 HydrophobicContact CG-CE2 4.11Å; F823-F857 HydrophobicContact CG-CG 4.16Å; F823-F857 HydrophobicContact CG-CZ 4.13Å; F823-F857 HydrophobicContact CZ-CD2 4.15Å; F823-F857 HydrophobicContact CZ-CE2 4.34Å; F823-F859 HydrophobicContact CB-CE2 3.9Å; F823-F859 HydrophobicContact CB-CZ 3.91Å |
| 824 | C | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 151 | -173.5 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | F805 N826 G827 H828 L848 | F805-C824 CarbonylContact O-C 3.56Å; F805-C824 WeakPolarHBondContact O-CA 3.31Å; C824-N826 WeakPolarHBondContact CB-OD1 3.29Å; C824-N826 PolarHBondContact O-N 3.45Å; C824-N826 VanDerWaalsContact O-N 3.12Å; C824-G827 WeakPolarHBondContact O-CA 3.27Å; C824-G827 PolarHBondContact O-N 3.26Å; C824-H828 HydrophobicContact CB-CB 4.23Å; C824-H828 PolarHBondContact N-O 3.46Å; C824-L848 VanDerWaalsContact O-CD1 3.25Å; C824-L848 WeakPolarHBondContact O-CD1 3.31Å |
| 825 | A | 89.9 | Confident | 92.3 | Very high | 24 Ų | 24 | 26.2 Ų | 26.2 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F805 L807 G827 L848 | F805-A825 HydrophobicContact CD1-CB 4.02Å; F805-A825 HydrophobicContact CD2-CB 4.04Å; F805-A825 HydrophobicContact CE1-CB 3.71Å; F805-A825 HydrophobicContact CE2-CB 3.76Å; F805-A825 HydrophobicContact CG-CB 4.18Å; F805-A825 HydrophobicContact CZ-CB 3.57Å; F805-A825 PolarHBondContact O-N 3Å; L807-A825 HydrophobicContact CD1-CB 4.02Å; L807-A825 HydrophobicContact CD2-CB 4.29Å; L807-A825 HydrophobicContact CG-CB 3.91Å; A825-G827 VanDerWaalsContact C-N 3.28Å; A825-L848 WeakPolarHBondContact O-CD1 3.22Å |
| 826 | N | 87.6 | Confident | 93.2 | Very high | 60 Ų | 60 | 24.8 Ų | 24.8 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.6 | 171.8 | 65.2 | -6.7 | 0 | 0 | 0 | 113.5 | S804 C824 H828 | S804-N826 PolarHBondContact OG-N 3.05Å; C824-N826 WeakPolarHBondContact CB-OD1 3.29Å; C824-N826 PolarHBondContact O-N 3.45Å; C824-N826 VanDerWaalsContact O-N 3.12Å; N826-H828 PolarHBondContact ND2-CD2 3.41Å; N826-H828 PolarHBondContact OD1-CD2 3Å; N826-H828 PolarHBondContact OD1-N 2.92Å |
| 827 | G | 87.6 | Confident | 94 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 98.5 | 0.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | C824 A825 Y845 L846 | C824-G827 WeakPolarHBondContact O-CA 3.27Å; C824-G827 PolarHBondContact O-N 3.26Å; A825-G827 VanDerWaalsContact C-N 3.28Å; G827-Y845 PolarHBondContact O-N 3.23Å; G827-Y845 VanDerWaalsContact O-N 3.07Å; G827-L846 WeakPolarHBondContact CA-O 3.35Å; G827-L846 PolarHBondContact O-N 2.88Å; G827-L846 VanDerWaalsContact O-N 3.14Å |
| 828 | H | 91.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 21.8 Ų | 21.8 | 22% | 0.218 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.5 | -179.6 | -77.7 | -113 | 0 | 0 | 0 | 111.9 | F823 C824 N826 D842 V843 | F823-H828 WeakPolarHBondContact CA-O 3.27Å; C824-H828 HydrophobicContact CB-CB 4.23Å; C824-H828 PolarHBondContact N-O 3.46Å; N826-H828 PolarHBondContact ND2-CD2 3.41Å; N826-H828 PolarHBondContact OD1-CD2 3Å; N826-H828 PolarHBondContact OD1-N 2.92Å; H828-D842 IonicContact CE1-OD1 3.4Å; H828-D842 IonicContact CG-OD1 3.02Å; H828-D842 IonicContact ND1-OD1 3.08Å; H828-D842 PolarHBondContact ND1-OD1 2.85Å; H828-D842 IonicContact ND1-OD2 3.9Å; H828-V843 CarbonylContact C-O 3.49Å; H828-V843 VanDerWaalsContact CA-O 3.31Å; H828-V843 WeakPolarHBondContact CA-O 3.08Å |
| 829 | V | 93.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.8 | 163.3 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | C822 F823 M841 V843 Y845 F857 F859 | C822-V829 CarbonylContact O-C 3.54Å; C822-V829 WeakPolarHBondContact O-CA 3.49Å; F823-V829 HydrophobicContact CD2-CG2 3.79Å; F823-V829 HydrophobicContact CE2-CG2 4.33Å; V829-M841 HydrophobicContact CG1-CE 3.85Å; V829-V843 PolarHBondContact N-O 2.86Å; V829-V843 PolarHBondContact O-N 3.22Å; V829-Y845 HydrophobicContact CG2-CD1 4.22Å; V829-F857 HydrophobicContact CG2-CZ 4.45Å; V829-F859 HydrophobicContact CG1-CE1 4.01Å; V829-F859 HydrophobicContact CG1-CZ 4.14Å |
| 830 | M | 94.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140 | -178.8 | -174.2 | -177.8 | -69.1 | 0 | 0 | 110 | I800 A821 C822 L832 M841 D842 | I800-M830 HydrophobicContact CG2-CE 4.42Å; I800-M830 HydrophobicContact CG2-SD 3.97Å; A821-M830 CarbonylContact C-O 3.51Å; A821-M830 WeakPolarHBondContact CA-O 3.31Å; C822-M830 HydrophobicContact CB-CB 4.44Å; C822-M830 PolarHBondContact N-O 3.16Å; C822-M830 PolarHBondContact O-N 3.04Å; M830-L832 HydrophobicContact CG-CD2 4Å; M830-L832 HydrophobicContact CG-CG 4.41Å; M830-L832 HydrophobicContact SD-CD2 3.76Å; M830-L832 HydrophobicContact SD-CG 4.31Å; M830-M841 CarbonylContact C-O 3.59Å; M830-M841 VanDerWaalsContact CA-O 3.25Å; M830-M841 WeakPolarHBondContact CA-O 3.39Å; M830-M841 WeakPolarHBondContact CG-O 3.34Å; M830-D842 HydrophobicContact CE-CB 4.34Å; M830-D842 HydrophobicContact CG-CB 4.46Å |
| 831 | T | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.2 | 169.8 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | L820 A821 L840 M841 Y879 | L820-T831 CarbonylContact O-C 3.6Å; L820-T831 WeakPolarHBondContact O-CA 3.21Å; A821-T831 HydrophobicContact CB-CG2 4.25Å; T831-L840 PolarHBondContact O-N 3.24Å; T831-M841 HydrophobicContact CG2-CE 3.89Å; T831-M841 PolarHBondContact N-O 3.47Å; T831-M841 PolarHBondContact O-N 3.27Å; T831-M841 WeakPolarHBondContact OG1-CB 3.43Å; T831-M841 PolarHBondContact OG1-N 3.38Å; T831-Y879 HydrophobicContact CG2-CD2 3.91Å; T831-Y879 HydrophobicContact CG2-CE2 3.84Å |
| 832 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.7 | 179.3 | -55.3 | 178.9 | 0 | 0 | 0 | 108.9 | A784 H798 I800 C819 L820 M830 L837 R838 P839 | A784-L832 HydrophobicContact CB-CD1 4.45Å; H798-L832 HydrophobicContact CB-CD1 4.25Å; I800-L832 HydrophobicContact CG1-CD1 4.34Å; C819-L832 CarbonylContact C-O 3.6Å; C819-L832 VanDerWaalsContact CA-O 3.29Å; C819-L832 WeakPolarHBondContact CA-O 3.09Å; C819-L832 VanDerWaalsContact CB-O 3.26Å; C819-L832 WeakPolarHBondContact CB-O 3.34Å; L820-L832 HydrophobicContact CB-CB 4.37Å; L820-L832 HydrophobicContact CD2-CD1 4.31Å; L820-L832 PolarHBondContact N-O 3.2Å; L820-L832 PolarHBondContact O-N 2.79Å; M830-L832 HydrophobicContact CG-CD2 4Å; M830-L832 HydrophobicContact CG-CG 4.41Å; M830-L832 HydrophobicContact SD-CD2 3.76Å; M830-L832 HydrophobicContact SD-CG 4.31Å; L832-L837 HydrophobicContact CB-CD2 4.43Å; L832-L837 HydrophobicContact CD1-CD2 4.34Å; L832-R838 WeakPolarHBondContact CA-O 3.41Å; L832-P839 HydrophobicContact CD2-CB 4.01Å; L832-P839 HydrophobicContact CD2-CG 3.86Å |
| 833 | S | 96.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 142.4 | 173.7 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | S836 L837 R838 | S833-S836 PolarHBondContact OG-OG 3.04Å; S833-L837 WeakPolarHBondContact O-CA 3.35Å; S833-L837 PolarHBondContact O-N 2.9Å; S833-R838 PolarHBondContact N-O 3.22Å; S833-R838 WeakPolarHBondContact OG-CB 3.39Å; S833-R838 PolarHBondContact OG-N 2.85Å; S833-R838 VanDerWaalsContact OG-N 3.11Å; S833-R838 PolarHBondContact OG-O 2.79Å |
| 834 | L | 96.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 147.5 | 169.9 | -71.3 | 172 | 0 | 0 | 0 | 111.1 | L727 V777 V786 V811 V818 L820 L837 | L727-L834 HydrophobicContact CD1-CB 3.81Å; L727-L834 HydrophobicContact CD1-CD1 4.48Å; V777-L834 HydrophobicContact CB-CD2 4.45Å; V777-L834 HydrophobicContact CG1-CD1 4.37Å; V777-L834 HydrophobicContact CG1-CD2 3.79Å; V777-L834 HydrophobicContact CG2-CD1 4.09Å; V777-L834 HydrophobicContact CG2-CD2 3.74Å; V786-L834 HydrophobicContact CG2-CD2 4.16Å; V811-L834 HydrophobicContact CG1-CD1 3.74Å; V811-L834 HydrophobicContact CG2-CD1 4.26Å; V818-L834 HydrophobicContact CG1-CD1 4.04Å; V818-L834 WeakPolarHBondContact O-CB 3.25Å; V818-L834 PolarHBondContact O-N 3.01Å; L820-L834 HydrophobicContact CB-CD1 4.21Å; L820-L834 HydrophobicContact CB-CD2 4.47Å; L820-L834 HydrophobicContact CB-CG 4.34Å; L834-L837 HydrophobicContact CD2-CD2 3.64Å |
| 835 | P | 95.4 | Very high | 93 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -80.2 | -8.3 | -2.9 | 32.5 | -35.5 | 0 | 0 | 0 | 114.5 | L727 L775 V786 F796 L837 | L727-P835 HydrophobicContact CD1-CB 4.04Å; L775-P835 HydrophobicContact CD1-CB 3.6Å; L775-P835 HydrophobicContact CD1-CG 3.84Å; V786-P835 HydrophobicContact CG1-CB 4.21Å; V786-P835 WeakPolarHBondContact CG2-O 3.26Å; F796-P835 HydrophobicContact CD2-CB 4.49Å; F796-P835 WeakPolarHBondContact CD2-O 3.34Å; F796-P835 HydrophobicContact CE2-CB 4.33Å; F796-P835 HydrophobicContact CE2-CG 4.49Å; P835-L837 VanDerWaalsContact C-N 3.26Å; P835-L837 PolarHBondContact O-N 3.29Å; P835-L837 VanDerWaalsContact O-N 3.13Å |
| 836 | S | 96.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.6 | -165.8 | 68.3 | 0 | 0 | 0 | 0 | 116.8 | S833 R838 | S833-S836 PolarHBondContact OG-OG 3.04Å; S836-R838 PolarHBondContact O-N 2.85Å; S836-R838 VanDerWaalsContact O-N 3.14Å; S836-R838 PolarHBondContact OG-NE 3.27Å; S836-R838 VanDerWaalsContact OG-NE 3.1Å |
| 837 | L | 97.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | trans | 50.4 | 30.2 | -173.9 | -60.7 | 176.8 | 0 | 0 | 0 | 114.5 | A784 V786 F796 H798 L820 L832 S833 L834 P835 | A784-L837 HydrophobicContact CB-CD1 3.91Å; A784-L837 HydrophobicContact CB-CD2 3.85Å; A784-L837 WeakPolarHBondContact O-CD1 3.49Å; V786-L837 HydrophobicContact CG2-CD1 3.94Å; V786-L837 HydrophobicContact CG2-CD2 4.17Å; V786-L837 HydrophobicContact CG2-CG 3.87Å; F796-L837 HydrophobicContact CB-CB 4.45Å; F796-L837 HydrophobicContact CB-CD1 3.95Å; F796-L837 HydrophobicContact CB-CG 4.18Å; H798-L837 HydrophobicContact CB-CB 3.85Å; H798-L837 HydrophobicContact CB-CD1 4.05Å; H798-L837 PolarHBondContact ND1-O 2.72Å; L820-L837 HydrophobicContact CD2-CD2 4.31Å; L832-L837 HydrophobicContact CB-CD2 4.43Å; L832-L837 HydrophobicContact CD1-CD2 4.34Å; S833-L837 WeakPolarHBondContact O-CA 3.35Å; S833-L837 PolarHBondContact O-N 2.9Å; L834-L837 HydrophobicContact CD2-CD2 3.64Å; P835-L837 VanDerWaalsContact C-N 3.26Å; P835-L837 PolarHBondContact O-N 3.29Å; P835-L837 VanDerWaalsContact O-N 3.13Å | ||
| 838 | R | 96.3 | Very high | 89.9 | Confident | 175 Ų | 175 | 51.9 Ų | 51.9 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | trans | -79.3 | 130.3 | 174.4 | -63.4 | -177.9 | -70.4 | 166.2 | -0.6 | 109.6 | L832 S833 S836 L840 | L832-R838 WeakPolarHBondContact CA-O 3.41Å; S833-R838 PolarHBondContact N-O 3.22Å; S833-R838 WeakPolarHBondContact OG-CB 3.39Å; S833-R838 PolarHBondContact OG-N 2.85Å; S833-R838 VanDerWaalsContact OG-N 3.11Å; S833-R838 PolarHBondContact OG-O 2.79Å; S836-R838 PolarHBondContact O-N 2.85Å; S836-R838 VanDerWaalsContact O-N 3.14Å; S836-R838 PolarHBondContact OG-NE 3.27Å; S836-R838 VanDerWaalsContact OG-NE 3.1Å; R838-L840 PolarHBondContact O-N 2.99Å | ||
| 839 | P | 95.4 | Very high | 88.4 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 128.4 | 174.5 | -24.5 | 34 | 0 | 0 | 0 | 111.9 | L832 | L832-P839 HydrophobicContact CD2-CB 4.01Å; L832-P839 HydrophobicContact CD2-CG 3.86Å |
| 840 | L | 93.6 | Very high | 87.6 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -41.1 | 174 | -63.9 | 177.5 | 0 | 0 | 0 | 110.5 | C819 T831 R838 | C819-L840 HydrophobicContact CB-CD1 4.27Å; T831-L840 PolarHBondContact O-N 3.24Å; R838-L840 PolarHBondContact O-N 2.99Å |
| 841 | M | 92.8 | Very high | 86.9 | Confident | 47 Ų | 47 | 62 Ų | 62 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.6 | 178.7 | -170.8 | -179.7 | 67.1 | 0 | 0 | 109.8 | V829 M830 T831 V843 Y879 | V829-M841 HydrophobicContact CG1-CE 3.85Å; M830-M841 CarbonylContact C-O 3.59Å; M830-M841 VanDerWaalsContact CA-O 3.25Å; M830-M841 WeakPolarHBondContact CA-O 3.39Å; M830-M841 WeakPolarHBondContact CG-O 3.34Å; T831-M841 HydrophobicContact CG2-CE 3.89Å; T831-M841 PolarHBondContact N-O 3.47Å; T831-M841 PolarHBondContact O-N 3.27Å; T831-M841 WeakPolarHBondContact OG1-CB 3.43Å; T831-M841 PolarHBondContact OG1-N 3.38Å; M841-V843 HydrophobicContact CG-CG2 3.66Å; M841-V843 HydrophobicContact SD-CG2 4.01Å; M841-Y879 HydrophobicContact CE-CD2 4.21Å; M841-Y879 HydrophobicContact CE-CG 4.01Å |
| 842 | D | 93.2 | Very high | 86.5 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 105.8 | 166.6 | -178.6 | 5.3 | 0 | 0 | 0 | 108.1 | H828 M830 | H828-D842 IonicContact CE1-OD1 3.4Å; H828-D842 IonicContact CG-OD1 3.02Å; H828-D842 IonicContact ND1-OD1 3.08Å; H828-D842 PolarHBondContact ND1-OD1 2.85Å; H828-D842 IonicContact ND1-OD2 3.9Å; M830-D842 HydrophobicContact CE-CB 4.34Å; M830-D842 HydrophobicContact CG-CB 4.46Å |
| 843 | V | 91.3 | Very high | 86.1 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.2 | -174.8 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | H828 V829 M841 Y845 | H828-V843 CarbonylContact C-O 3.49Å; H828-V843 VanDerWaalsContact CA-O 3.31Å; H828-V843 WeakPolarHBondContact CA-O 3.08Å; V829-V843 PolarHBondContact N-O 2.86Å; V829-V843 PolarHBondContact O-N 3.22Å; M841-V843 HydrophobicContact CG-CG2 3.66Å; M841-V843 HydrophobicContact SD-CG2 4.01Å; V843-Y845 PolarHBondContact O-N 3.23Å; V843-Y845 VanDerWaalsContact O-N 3.08Å |
| 844 | N | 89.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 98.4 | 166.4 | -176.6 | 10.4 | 0 | 0 | 0 | 108.8 | ||
| 845 | Y | 82.5 | Confident | 84.9 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | trans | -98 | -54.9 | -171.4 | 177.4 | -123.9 | 0 | 0 | 0 | 111.9 | G827 V829 V843 Y867 I877 | G827-Y845 PolarHBondContact O-N 3.23Å; G827-Y845 VanDerWaalsContact O-N 3.07Å; V829-Y845 HydrophobicContact CG2-CD1 4.22Å; V843-Y845 PolarHBondContact O-N 3.23Å; V843-Y845 VanDerWaalsContact O-N 3.08Å; Y845-Y867 HydrophobicContact CE1-CE1 4.02Å; Y845-Y867 PolarHBondContact OH-OH 2.83Å; Y845-I877 HydrophobicContact CD1-CD1 4.13Å; Y845-I877 HydrophobicContact CE1-CD1 3.69Å; Y845-I877 HydrophobicContact CE1-CG2 4.07Å; Y845-I877 WeakPolarHBondContact OH-CG2 3.49Å | ||
| 846 | L | 77.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | trans | -134.8 | 99.6 | -172.3 | -79.6 | 165.5 | 0 | 0 | 0 | 110.2 | G827 L848 I853 Y867 | G827-L846 WeakPolarHBondContact CA-O 3.35Å; G827-L846 PolarHBondContact O-N 2.88Å; G827-L846 VanDerWaalsContact O-N 3.14Å; L846-L848 PolarHBondContact O-N 3.43Å; L846-I853 HydrophobicContact CD1-CG2 4.41Å; L846-Y867 HydrophobicContact CD1-CE1 3.76Å; L846-Y867 HydrophobicContact CD1-CE2 4.18Å | ||
| 847 | P | 61.2 | Low | 84.6 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | trans | -59 | 106.6 | 171.3 | 25.6 | -32.2 | 0 | 0 | 0 | 108.3 | T849 | P847-T849 PolarHBondContact O-N 2.71Š| ||
| 848 | L | 61.8 | Low | 84.4 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | trans | -67.4 | 103.8 | -170.1 | -85.6 | 155.2 | 0 | 0 | 0 | 110.8 | L807 F823 C824 A825 L846 I853 | L807-L848 HydrophobicContact CD1-CD1 3.35Å; F823-L848 HydrophobicContact CE1-CD1 3.71Å; F823-L848 HydrophobicContact CE1-CD2 3.86Å; F823-L848 HydrophobicContact CE1-CG 4.14Å; F823-L848 HydrophobicContact CE2-CD1 4.24Å; F823-L848 HydrophobicContact CZ-CD1 3.51Å; F823-L848 HydrophobicContact CZ-CD2 3.72Å; F823-L848 HydrophobicContact CZ-CG 3.67Å; C824-L848 VanDerWaalsContact O-CD1 3.25Å; C824-L848 WeakPolarHBondContact O-CD1 3.31Å; A825-L848 WeakPolarHBondContact O-CD1 3.22Å; L846-L848 PolarHBondContact O-N 3.43Å; L848-I853 HydrophobicContact CD2-CB 3.98Å; L848-I853 HydrophobicContact CD2-CG2 3.9Å | ||
| 849 | T | 60 | Low | 84.4 | Confident | 142 Ų | 142 | 62 Ų | 62 | 87% | 0.871 | 33% | 0.326 | S | S | * | . | trans | -106.2 | -10 | 169.2 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | P847 | P847-T849 PolarHBondContact O-N 2.71Š| ||
| 850 | D | 76.7 | Confident | 84.3 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | trans | -123.2 | 121.3 | -173.3 | -167 | -19.9 | 0 | 0 | 0 | 112.3 | R852 I853 | D850-R852 PolarHBondContact O-N 2.94Å; D850-R852 VanDerWaalsContact OD1-CB 3.29Å; D850-R852 WeakPolarHBondContact OD1-CB 3.26Å; D850-R852 PolarHBondContact OD1-N 2.85Å; D850-R852 IonicContact OD2-NH1 3.55Å; D850-I853 HydrophobicContact CB-CD1 4.35Å; D850-I853 HydrophobicContact CB-CG1 4.35Å; D850-I853 PolarHBondContact O-N 2.78Å | ||
| 851 | M | 79.9 | Confident | 84.1 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.4 | -20.8 | 176.9 | -69.3 | -60.4 | -65 | 0 | 0 | 113.5 | I623 I853 A854 R855 | I623-M851 HydrophobicContact CD1-CE 4.34Å; I623-M851 HydrophobicContact CG1-CE 4.23Å; I623-M851 HydrophobicContact CG2-CE 4.32Å; M851-I853 VanDerWaalsContact C-N 3.34Å; M851-A854 PolarHBondContact O-N 3.01Å; M851-R855 WeakPolarHBondContact O-CG 3.37Å; M851-R855 PolarHBondContact O-N 3.13Å; M851-R855 VanDerWaalsContact O-N 3.13Å |
| 852 | R | 86.2 | Confident | 83.9 | Confident | 79 Ų | 79 | 56 Ų | 56 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175 | -175.5 | -177.6 | -56.9 | 119.6 | 8.4 | 111.2 | D850 A854 R855 T856 L868 | D850-R852 PolarHBondContact O-N 2.94Å; D850-R852 VanDerWaalsContact OD1-CB 3.29Å; D850-R852 WeakPolarHBondContact OD1-CB 3.26Å; D850-R852 PolarHBondContact OD1-N 2.85Å; D850-R852 IonicContact OD2-NH1 3.55Å; R852-A854 VanDerWaalsContact C-N 3.34Å; R852-R855 PolarHBondContact O-N 3.3Å; R852-T856 HydrophobicContact CG-CG2 4.46Å; R852-T856 WeakPolarHBondContact O-CB 3.27Å; R852-T856 WeakPolarHBondContact O-CG2 3.37Å; R852-T856 PolarHBondContact O-N 3.11Å; R852-T856 PolarHBondContact O-OG1 3.06Å; R852-L868 HydrophobicContact CG-CB 4.02Å |
| 853 | I | 88.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 178.1 | -59.6 | 179 | 0 | 0 | 0 | 108.5 | F823 L846 L848 D850 M851 R855 T856 F857 Y867 | F823-I853 HydrophobicContact CE1-CG2 4.12Å; F823-I853 HydrophobicContact CZ-CG2 4.2Å; L846-I853 HydrophobicContact CD1-CG2 4.41Å; L848-I853 HydrophobicContact CD2-CB 3.98Å; L848-I853 HydrophobicContact CD2-CG2 3.9Å; D850-I853 HydrophobicContact CB-CD1 4.35Å; D850-I853 HydrophobicContact CB-CG1 4.35Å; D850-I853 PolarHBondContact O-N 2.78Å; M851-I853 VanDerWaalsContact C-N 3.34Å; I853-R855 PolarHBondContact O-N 2.92Å; I853-R855 VanDerWaalsContact O-N 3.15Å; I853-T856 PolarHBondContact O-N 3.5Å; I853-T856 VanDerWaalsContact O-N 3.11Å; I853-F857 HydrophobicContact CG2-CD2 4.25Å; I853-F857 VanDerWaalsContact O-CB 3.32Å; I853-F857 WeakPolarHBondContact O-CB 3.35Å; I853-F857 PolarHBondContact O-N 3.48Å; I853-Y867 HydrophobicContact CB-CD2 4.4Å; I853-Y867 HydrophobicContact CD1-CD2 4.25Å; I853-Y867 HydrophobicContact CD1-CE2 4.16Å; I853-Y867 HydrophobicContact CG1-CD2 3.88Å; I853-Y867 HydrophobicContact CG1-CE2 4.29Å; I853-Y867 HydrophobicContact CG2-CD2 3.95Å; I853-Y867 HydrophobicContact CG2-CG 4Å |
| 854 | A | 83.4 | Confident | 83.7 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.5 | -34.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L807 M851 R852 | L807-A854 HydrophobicContact CD1-CB 3.91Å; L807-A854 HydrophobicContact CD2-CB 4.49Å; M851-A854 PolarHBondContact O-N 3.01Å; R852-A854 VanDerWaalsContact C-N 3.34Å |
| 855 | R | 83.6 | Confident | 83.9 | Confident | 137 Ų | 137 | 44 Ų | 44 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -83.2 | -23.4 | 179.7 | -71.3 | 180 | 179.4 | 170.5 | -0.1 | 114.8 | M851 R852 I853 | M851-R855 WeakPolarHBondContact O-CG 3.37Å; M851-R855 PolarHBondContact O-N 3.13Å; M851-R855 VanDerWaalsContact O-N 3.13Å; R852-R855 PolarHBondContact O-N 3.3Å; I853-R855 PolarHBondContact O-N 2.92Å; I853-R855 VanDerWaalsContact O-N 3.15Å |
| 856 | T | 92.2 | Very high | 84.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -112.4 | -4.5 | -172.4 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | T220 R852 I853 C858 L868 | T220-T856 HydrophobicContact CG2-CG2 4.03Å; T220-T856 VanDerWaalsContact OG1-C 3.29Å; T220-T856 VanDerWaalsContact OG1-CA 3.23Å; T220-T856 WeakPolarHBondContact OG1-CA 3.38Å; T220-T856 PolarHBondContact OG1-O 3.14Å; R852-T856 HydrophobicContact CG-CG2 4.46Å; R852-T856 WeakPolarHBondContact O-CB 3.27Å; R852-T856 WeakPolarHBondContact O-CG2 3.37Å; R852-T856 PolarHBondContact O-N 3.11Å; R852-T856 PolarHBondContact O-OG1 3.06Å; I853-T856 PolarHBondContact O-N 3.5Å; I853-T856 VanDerWaalsContact O-N 3.11Å; T856-C858 PolarHBondContact O-N 3.01Å; T856-L868 HydrophobicContact CG2-CB 4.35Å; T856-L868 HydrophobicContact CG2-CD1 4.3Å; T856-L868 PolarHBondContact OG1-N 3.41Å |
| 857 | F | 93.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | trans | -66.9 | 121 | 179.3 | -161.4 | -76 | 0 | 0 | 0 | 111.1 | R808 F823 V829 I853 F859 A865 L866 Y867 I877 | R808-F857 HydrophobicContact CB-CD1 4.45Å; R808-F857 HydrophobicContact CG-CD1 4.49Å; F823-F857 HydrophobicContact CB-CD1 4.03Å; F823-F857 HydrophobicContact CB-CE1 3.91Å; F823-F857 HydrophobicContact CB-CZ 4.24Å; F823-F857 HydrophobicContact CD1-CB 4.05Å; F823-F857 HydrophobicContact CD1-CD1 4.02Å; F823-F857 AromaticContact CD1-CD2 3.73Å; F823-F857 HydrophobicContact CD1-CD2 3.73Å; F823-F857 HydrophobicContact CD1-CE1 4.46Å; F823-F857 HydrophobicContact CD1-CE2 4.17Å; F823-F857 AromaticContact CD1-CG 3.64Å; F823-F857 HydrophobicContact CD1-CG 3.64Å; F823-F857 HydrophobicContact CD2-CE2 4.2Å; F823-F857 HydrophobicContact CD2-CZ 4.33Å; F823-F857 HydrophobicContact CE1-CB 4.28Å; F823-F857 AromaticContact CE1-CD2 3.73Å; F823-F857 HydrophobicContact CE1-CD2 3.73Å; F823-F857 HydrophobicContact CE1-CE2 4.28Å; F823-F857 HydrophobicContact CE1-CG 4.02Å; F823-F857 HydrophobicContact CE2-CE2 4.32Å; F823-F857 HydrophobicContact CG-CD1 4.17Å; F823-F857 HydrophobicContact CG-CD2 4.14Å; F823-F857 HydrophobicContact CG-CE1 4.17Å; F823-F857 HydrophobicContact CG-CE2 4.11Å; F823-F857 HydrophobicContact CG-CG 4.16Å; F823-F857 HydrophobicContact CG-CZ 4.13Å; F823-F857 HydrophobicContact CZ-CD2 4.15Å; F823-F857 HydrophobicContact CZ-CE2 4.34Å; V829-F857 HydrophobicContact CG2-CZ 4.45Å; I853-F857 HydrophobicContact CG2-CD2 4.25Å; I853-F857 VanDerWaalsContact O-CB 3.32Å; I853-F857 WeakPolarHBondContact O-CB 3.35Å; I853-F857 PolarHBondContact O-N 3.48Å; F857-F859 HydrophobicContact CD1-CD2 4.38Å; F857-F859 HydrophobicContact CD1-CE2 4.18Å; F857-F859 HydrophobicContact CD1-CZ 4.44Å; F857-F859 HydrophobicContact CE1-CD1 4Å; F857-F859 AromaticContact CE1-CD2 3.94Å; F857-F859 HydrophobicContact CE1-CD2 3.94Å; F857-F859 AromaticContact CE1-CE1 3.67Å; F857-F859 HydrophobicContact CE1-CE1 3.67Å; F857-F859 AromaticContact CE1-CE2 3.6Å; F857-F859 HydrophobicContact CE1-CE2 3.6Å; F857-F859 HydrophobicContact CE1-CG 4.13Å; F857-F859 AromaticContact CE1-CZ 3.46Å; F857-F859 HydrophobicContact CE1-CZ 3.46Å; F857-F859 VanDerWaalsContact CE1-CZ 3.46Å; F857-F859 HydrophobicContact CZ-CE1 4.07Å; F857-F859 HydrophobicContact CZ-CZ 4.04Å; F857-A865 HydrophobicContact CE1-CB 3.92Å; F857-A865 HydrophobicContact CZ-CB 3.87Å; F857-L866 CarbonylContact C-O 3.57Å; F857-L866 WeakPolarHBondContact CA-O 3.43Å; F857-Y867 AromaticContact CD2-CD1 3.86Å; F857-Y867 HydrophobicContact CD2-CD1 3.86Å; F857-Y867 HydrophobicContact CD2-CG 4.25Å; F857-Y867 AromaticContact CE2-CD1 3.93Å; F857-Y867 HydrophobicContact CE2-CD1 3.93Å; F857-I877 HydrophobicContact CE2-CD1 4.24Å; F857-I877 HydrophobicContact CZ-CD1 4.1Å | ||
| 858 | C | 94.3 | Very high | 86.6 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | T220 T856 A865 L866 | T220-C858 PolarHBondContact O-SG 2.72Å; T220-C858 PolarHBondContact OG1-SG 3.18Å; T220-C858 VanDerWaalsContact OG1-SG 3.41Å; T856-C858 PolarHBondContact O-N 3.01Å; C858-A865 CarbonylContact O-C 3.6Å; C858-A865 WeakPolarHBondContact O-CA 3.26Å; C858-A865 VanDerWaalsContact O-CB 3.28Å; C858-A865 WeakPolarHBondContact O-CB 3.28Å; C858-L866 HydrophobicContact CB-CD1 4.43Å; C858-L866 PolarHBondContact N-O 2.95Å; C858-L866 PolarHBondContact O-N 3.07Å |
| 859 | F | 95.2 | Very high | 87.9 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 155.9 | 161.2 | -65.5 | -77.5 | 0 | 0 | 0 | 110 | R808 D810 V812 A821 F823 V829 F857 A865 Y879 | R808-F859 HydrophobicContact CB-CE2 4.5Å; R808-F859 HydrophobicContact CG-CD2 4.11Å; R808-F859 HydrophobicContact CG-CE2 4.38Å; D810-F859 HydrophobicContact CB-CB 3.7Å; D810-F859 HydrophobicContact CB-CD2 4.07Å; D810-F859 HydrophobicContact CB-CG 4.26Å; V812-F859 HydrophobicContact CG1-CB 4.22Å; A821-F859 HydrophobicContact CB-CD1 3.74Å; A821-F859 HydrophobicContact CB-CD2 4.11Å; A821-F859 HydrophobicContact CB-CE1 3.79Å; A821-F859 HydrophobicContact CB-CE2 4.15Å; A821-F859 HydrophobicContact CB-CG 3.91Å; A821-F859 HydrophobicContact CB-CZ 3.99Å; F823-F859 HydrophobicContact CB-CE2 3.9Å; F823-F859 HydrophobicContact CB-CZ 3.91Å; V829-F859 HydrophobicContact CG1-CE1 4.01Å; V829-F859 HydrophobicContact CG1-CZ 4.14Å; F857-F859 HydrophobicContact CD1-CD2 4.38Å; F857-F859 HydrophobicContact CD1-CE2 4.18Å; F857-F859 HydrophobicContact CD1-CZ 4.44Å; F857-F859 HydrophobicContact CE1-CD1 4Å; F857-F859 AromaticContact CE1-CD2 3.94Å; F857-F859 HydrophobicContact CE1-CD2 3.94Å; F857-F859 AromaticContact CE1-CE1 3.67Å; F857-F859 HydrophobicContact CE1-CE1 3.67Å; F857-F859 AromaticContact CE1-CE2 3.6Å; F857-F859 HydrophobicContact CE1-CE2 3.6Å; F857-F859 HydrophobicContact CE1-CG 4.13Å; F857-F859 AromaticContact CE1-CZ 3.46Å; F857-F859 HydrophobicContact CE1-CZ 3.46Å; F857-F859 VanDerWaalsContact CE1-CZ 3.46Å; F857-F859 HydrophobicContact CZ-CE1 4.07Å; F857-F859 HydrophobicContact CZ-CZ 4.04Å; F859-A865 HydrophobicContact CD1-CB 3.77Å; F859-A865 HydrophobicContact CE1-CB 4.23Å; F859-A865 HydrophobicContact CG-CB 4.46Å; F859-Y879 AromaticContact CD1-CE1 3.78Å; F859-Y879 HydrophobicContact CD1-CE1 3.78Å; F859-Y879 AromaticContact CD1-CZ 4Å; F859-Y879 HydrophobicContact CE1-CE1 4.03Å |
| 860 | T | 93 | Very high | 89.2 | Confident | 12 Ų | 12 | 28.4 Ų | 28.4 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 179 | 167.1 | -156.4 | 0 | 0 | 0 | 0 | 109.6 | Y222 A224 Q864 | Y222-T860 HydrophobicContact CD1-CG2 3.39Å; Y222-T860 HydrophobicContact CD2-CG2 4.47Å; Y222-T860 HydrophobicContact CE1-CG2 3.2Å; Y222-T860 HydrophobicContact CE2-CG2 4.27Å; Y222-T860 HydrophobicContact CG-CG2 4.05Å; Y222-T860 PolarHBondContact O-OG1 2.79Å; Y222-T860 VanDerWaalsContact O-OG1 3.12Å; A224-T860 HydrophobicContact CB-CG2 3.75Å; A224-T860 PolarHBondContact N-OG1 2.9Å; A224-T860 VanDerWaalsContact N-OG1 3.14Å; T860-Q864 HydrophobicContact CG2-CB 3.71Å; T860-Q864 PolarHBondContact N-O 2.83Å |
| 861 | N | 90.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 29 Ų | 29 | 25% | 0.246 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 173.9 | 178.1 | -69 | -28.1 | 0 | 0 | 0 | 112.1 | A224 S813 G863 Q864 | A224-N861 HydrophobicContact CB-CB 4.46Å; S813-N861 PolarHBondContact N-OD1 2.59Å; N861-G863 PolarHBondContact O-N 3.18Å; N861-G863 VanDerWaalsContact O-N 3.1Å; N861-Q864 PolarHBondContact O-N 2.92Å |
| 862 | E | 87.8 | Confident | 89.9 | Confident | 52 Ų | 52 | 28 Ų | 28 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 24.1 | 177.6 | -54.5 | -47.9 | 121.4 | 0 | 0 | 114.1 | Y265 S813 S880 | Y265-E862 HydrophobicContact CE1-CG 4.09Å; Y265-E862 VanDerWaalsContact OH-CB 3.25Å; Y265-E862 WeakPolarHBondContact OH-CB 3.46Å; S813-E862 PolarHBondContact O-N 3.14Å; E862-S880 WeakPolarHBondContact O-CB 3.45Å |
| 863 | G | 88.8 | Confident | 90 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 36.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N861 T878 Y879 | N861-G863 PolarHBondContact O-N 3.18Å; N861-G863 VanDerWaalsContact O-N 3.1Å; G863-T878 CarbonylContact O-C 3.59Å; G863-T878 VanDerWaalsContact O-CA 3.24Å; G863-T878 WeakPolarHBondContact O-CA 3.27Å; G863-T878 PolarHBondContact O-OG1 3.27Å; G863-Y879 VanDerWaalsContact C-CE1 3.41Å; G863-Y879 VanDerWaalsContact CA-CZ 3.49Å; G863-Y879 WeakPolarHBondContact O-CD1 3.49Å; G863-Y879 WeakPolarHBondContact O-CE1 3.29Å; G863-Y879 PolarHBondContact O-N 3.39Å |
| 864 | Q | 91.8 | Very high | 90 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 154.4 | 179.2 | -62.5 | 173.5 | -70.9 | 0 | 0 | 111.5 | Y222 Y265 E267 T860 N861 I877 M883 | Y222-Q864 HydrophobicContact CE1-CB 4.05Å; Y222-Q864 PolarHBondContact OH-NE2 2.85Å; Y265-Q864 PolarHBondContact OH-OE1 2.88Å; E267-Q864 PolarHBondContact OE1-NE2 2.87Å; E267-Q864 PolarHBondContact OE1-OE1 2.92Å; E267-Q864 VanDerWaalsContact OE1-OE1 3.05Å; T860-Q864 HydrophobicContact CG2-CB 3.71Å; T860-Q864 PolarHBondContact N-O 2.83Å; N861-Q864 PolarHBondContact O-N 2.92Å; Q864-I877 WeakPolarHBondContact CA-O 3.4Å; Q864-M883 HydrophobicContact CG-CG 3.96Å |
| 865 | A | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F857 C858 F859 R876 I877 Y879 | F857-A865 HydrophobicContact CE1-CB 3.92Å; F857-A865 HydrophobicContact CZ-CB 3.87Å; C858-A865 CarbonylContact O-C 3.6Å; C858-A865 WeakPolarHBondContact O-CA 3.26Å; C858-A865 VanDerWaalsContact O-CB 3.28Å; C858-A865 WeakPolarHBondContact O-CB 3.28Å; F859-A865 HydrophobicContact CD1-CB 3.77Å; F859-A865 HydrophobicContact CE1-CB 4.23Å; F859-A865 HydrophobicContact CG-CB 4.46Å; A865-R876 WeakPolarHBondContact O-CA 3.45Å; A865-I877 HydrophobicContact CB-CD1 4.03Å; A865-I877 HydrophobicContact CB-CG1 3.7Å; A865-I877 PolarHBondContact N-O 3.26Å; A865-I877 PolarHBondContact O-N 3.09Å; A865-I877 VanDerWaalsContact O-O 3.12Å; A865-Y879 HydrophobicContact CB-CE1 4.38Å |
| 866 | L | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.7 | 172.9 | 68.8 | 75.8 | 0 | 0 | 0 | 112.2 | Y222 I269 F857 C858 I874 Q875 | Y222-L866 HydrophobicContact CD1-CB 4.31Å; Y222-L866 HydrophobicContact CD1-CD2 3.49Å; Y222-L866 VanDerWaalsContact CD1-CD2 3.49Å; Y222-L866 HydrophobicContact CD1-CG 3.71Å; Y222-L866 HydrophobicContact CD2-CD2 3.9Å; Y222-L866 HydrophobicContact CE1-CD2 4.01Å; Y222-L866 HydrophobicContact CE1-CG 4.38Å; Y222-L866 HydrophobicContact CE2-CD2 4.43Å; Y222-L866 HydrophobicContact CG-CD2 3.42Å; Y222-L866 VanDerWaalsContact CG-CD2 3.42Å; Y222-L866 HydrophobicContact CG-CG 4Å; I269-L866 HydrophobicContact CD1-CD2 3.47Å; I269-L866 VanDerWaalsContact CD1-CD2 3.47Å; I269-L866 HydrophobicContact CG1-CD2 3.63Å; I269-L866 HydrophobicContact CG2-CD2 4.29Å; F857-L866 CarbonylContact C-O 3.57Å; F857-L866 WeakPolarHBondContact CA-O 3.43Å; C858-L866 HydrophobicContact CB-CD1 4.43Å; C858-L866 PolarHBondContact N-O 2.95Å; C858-L866 PolarHBondContact O-N 3.07Å; L866-I874 HydrophobicContact CB-CG2 4.2Å; L866-I874 HydrophobicContact CD1-CG2 4.43Å; L866-I874 HydrophobicContact CD2-CG2 4.31Å; L866-Q875 VanDerWaalsContact CA-O 3.24Å; L866-Q875 WeakPolarHBondContact CA-O 3.18Å |
| 867 | Y | 92.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.6 | 169.6 | 57.8 | -86.9 | 0 | 0 | 0 | 109.8 | Y845 L846 I853 F857 Q875 I877 | Y845-Y867 HydrophobicContact CE1-CE1 4.02Å; Y845-Y867 PolarHBondContact OH-OH 2.83Å; L846-Y867 HydrophobicContact CD1-CE1 3.76Å; L846-Y867 HydrophobicContact CD1-CE2 4.18Å; I853-Y867 HydrophobicContact CB-CD2 4.4Å; I853-Y867 HydrophobicContact CD1-CD2 4.25Å; I853-Y867 HydrophobicContact CD1-CE2 4.16Å; I853-Y867 HydrophobicContact CG1-CD2 3.88Å; I853-Y867 HydrophobicContact CG1-CE2 4.29Å; I853-Y867 HydrophobicContact CG2-CD2 3.95Å; I853-Y867 HydrophobicContact CG2-CG 4Å; F857-Y867 AromaticContact CD2-CD1 3.86Å; F857-Y867 HydrophobicContact CD2-CD1 3.86Å; F857-Y867 HydrophobicContact CD2-CG 4.25Å; F857-Y867 AromaticContact CE2-CD1 3.93Å; F857-Y867 HydrophobicContact CE2-CD1 3.93Å; Y867-Q875 HydrophobicContact CD2-CB 4.47Å; Y867-Q875 HydrophobicContact CE1-CB 4.28Å; Y867-Q875 HydrophobicContact CE1-CG 4.34Å; Y867-Q875 HydrophobicContact CE2-CB 3.94Å; Y867-Q875 HydrophobicContact CE2-CG 4.47Å; Y867-Q875 PolarHBondContact N-O 3.28Å; Y867-Q875 PolarHBondContact O-N 3.22Å; Y867-Q875 PolarHBondContact OH-NE2 2.94Å; Y867-Q875 PolarHBondContact OH-OE1 2.94Å; Y867-I877 HydrophobicContact CE1-CG2 4.04Å |
| 868 | L | 91.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.4 | 167.7 | -96.7 | 75.4 | 0 | 0 | 0 | 110.3 | V217 T220 R852 T856 S870 E873 I874 | V217-L868 HydrophobicContact CB-CD2 3.66Å; V217-L868 HydrophobicContact CG1-CD1 4.17Å; V217-L868 HydrophobicContact CG1-CD2 4.07Å; V217-L868 HydrophobicContact CG2-CD2 3.85Å; T220-L868 HydrophobicContact CG2-CD1 3.71Å; R852-L868 HydrophobicContact CG-CB 4.02Å; T856-L868 HydrophobicContact CG2-CB 4.35Å; T856-L868 HydrophobicContact CG2-CD1 4.3Å; T856-L868 PolarHBondContact OG1-N 3.41Å; L868-S870 WeakPolarHBondContact CD2-O 3.3Å; L868-E873 WeakPolarHBondContact CA-O 3.2Å; L868-I874 HydrophobicContact CD1-CG1 3.75Å; L868-I874 HydrophobicContact CG-CG1 4.27Å |
| 869 | S | 89.4 | Confident | 90.2 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -30.1 | 174.2 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | E873 | S869-E873 PolarHBondContact N-O 3.5Å; S869-E873 VanDerWaalsContact N-O 3.08Å; S869-E873 WeakPolarHBondContact OG-CB 3.23Å; S869-E873 PolarHBondContact OG-O 2.93Å |
| 870 | S | 88.2 | Confident | 89.9 | Confident | 23 Ų | 23 | 34 Ų | 34 | 16% | 0.161 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 174.7 | 176.4 | 87.9 | 0 | 0 | 0 | 0 | 109.7 | L868 T872 E873 | L868-S870 WeakPolarHBondContact CD2-O 3.3Å; S870-T872 PolarHBondContact O-N 3.47Å; S870-T872 PolarHBondContact OG-N 2.99Å; S870-T872 PolarHBondContact OG-OG1 3.06Å; S870-E873 WeakPolarHBondContact OG-CB 3.31Å; S870-E873 PolarHBondContact OG-N 2.82Å; S870-E873 VanDerWaalsContact OG-N 3.13Å |
| 871 | P | 85.8 | Confident | 89.6 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17 | 171.7 | -18.1 | 30.6 | 0 | 0 | 0 | 114.1 | H213 | H213-P871 WeakPolarHBondContact CB-O 3.42Š|
| 872 | T | 84.8 | Confident | 89.3 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 37% | 0.368 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -4.9 | -170.9 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | I212 H213 S870 | I212-T872 VanDerWaalsContact CG2-O 3.27Å; I212-T872 WeakPolarHBondContact CG2-O 3.42Å; H213-T872 HydrophobicContact CB-CG2 3.64Å; S870-T872 PolarHBondContact O-N 3.47Å; S870-T872 PolarHBondContact OG-N 2.99Å; S870-T872 PolarHBondContact OG-OG1 3.06Å |
| 873 | E | 87.6 | Confident | 89.2 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 53% | 0.533 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.3 | -169.2 | -67.4 | 171.2 | -169.1 | 0 | 0 | 111.8 | L868 S869 S870 | L868-E873 WeakPolarHBondContact CA-O 3.2Å; S869-E873 PolarHBondContact N-O 3.5Å; S869-E873 VanDerWaalsContact N-O 3.08Å; S869-E873 WeakPolarHBondContact OG-CB 3.23Å; S869-E873 PolarHBondContact OG-O 2.93Å; S870-E873 WeakPolarHBondContact OG-CB 3.31Å; S870-E873 PolarHBondContact OG-N 2.82Å; S870-E873 VanDerWaalsContact OG-N 3.13Å |
| 874 | I | 89.6 | Confident | 89.1 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 21% | 0.205 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.7 | 166.5 | -65.8 | 171.3 | 0 | 0 | 0 | 107.9 | I212 I269 T271 L288 L866 L868 | I212-I874 HydrophobicContact CD1-CD1 3.42Å; I212-I874 VanDerWaalsContact CD1-CD1 3.42Å; I212-I874 HydrophobicContact CD1-CG1 3.51Å; I269-I874 HydrophobicContact CD1-CD1 4.39Å; I269-I874 HydrophobicContact CD1-CG2 4.5Å; I269-I874 HydrophobicContact CG2-CD1 4.23Å; T271-I874 HydrophobicContact CG2-CD1 4.46Å; L288-I874 HydrophobicContact CD2-CD1 4.23Å; L866-I874 HydrophobicContact CB-CG2 4.2Å; L866-I874 HydrophobicContact CD1-CG2 4.43Å; L866-I874 HydrophobicContact CD2-CG2 4.31Å; L868-I874 HydrophobicContact CD1-CG1 3.75Å; L868-I874 HydrophobicContact CG-CG1 4.27Å |
| 875 | Q | 90.7 | Very high | 88.8 | Confident | 77 Ų | 77 | 46.6 Ų | 46.6 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.9 | 170.9 | -171.4 | 164.8 | 6.6 | 0 | 0 | 109.4 | L866 Y867 I877 | L866-Q875 VanDerWaalsContact CA-O 3.24Å; L866-Q875 WeakPolarHBondContact CA-O 3.18Å; Y867-Q875 HydrophobicContact CD2-CB 4.47Å; Y867-Q875 HydrophobicContact CE1-CB 4.28Å; Y867-Q875 HydrophobicContact CE1-CG 4.34Å; Y867-Q875 HydrophobicContact CE2-CB 3.94Å; Y867-Q875 HydrophobicContact CE2-CG 4.47Å; Y867-Q875 PolarHBondContact N-O 3.28Å; Y867-Q875 PolarHBondContact O-N 3.22Å; Y867-Q875 PolarHBondContact OH-NE2 2.94Å; Y867-Q875 PolarHBondContact OH-OE1 2.94Å; Q875-I877 HydrophobicContact CG-CG2 4.39Å |
| 876 | R | 89.6 | Confident | 88.2 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 137 | 171.5 | -176 | 171.2 | 69.4 | 178.4 | -4.9 | 109.4 | Y222 E267 A283 A865 | Y222-R876 WeakPolarHBondContact OH-CD 3.42Å; E267-R876 IonicContact OE1-NH1 3.53Å; E267-R876 IonicContact OE2-NH1 2.93Å; E267-R876 PolarHBondContact OE2-NH1 2.78Å; A283-R876 PolarHBondContact O-NH1 3.1Å; A865-R876 WeakPolarHBondContact O-CA 3.45Å |
| 877 | I | 90.3 | Very high | 87.5 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.7 | 177.3 | 69.1 | 175.3 | 0 | 0 | 0 | 109.7 | Y845 F857 Q864 A865 Y867 Q875 | Y845-I877 HydrophobicContact CD1-CD1 4.13Å; Y845-I877 HydrophobicContact CE1-CD1 3.69Å; Y845-I877 HydrophobicContact CE1-CG2 4.07Å; Y845-I877 WeakPolarHBondContact OH-CG2 3.49Å; F857-I877 HydrophobicContact CE2-CD1 4.24Å; F857-I877 HydrophobicContact CZ-CD1 4.1Å; Q864-I877 WeakPolarHBondContact CA-O 3.4Å; A865-I877 HydrophobicContact CB-CD1 4.03Å; A865-I877 HydrophobicContact CB-CG1 3.7Å; A865-I877 PolarHBondContact N-O 3.26Å; A865-I877 PolarHBondContact O-N 3.09Å; A865-I877 VanDerWaalsContact O-O 3.12Å; Y867-I877 HydrophobicContact CE1-CG2 4.04Å; Q875-I877 HydrophobicContact CG-CG2 4.39Å |
| 878 | T | 90.3 | Very high | 86.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.5 | 169.2 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | G863 S880 C884 L887 | G863-T878 CarbonylContact O-C 3.59Å; G863-T878 VanDerWaalsContact O-CA 3.24Å; G863-T878 WeakPolarHBondContact O-CA 3.27Å; G863-T878 PolarHBondContact O-OG1 3.27Å; T878-S880 PolarHBondContact OG1-N 3.44Å; T878-S880 VanDerWaalsContact OG1-N 3.1Å; T878-S880 PolarHBondContact OG1-O 3.19Å; T878-C884 HydrophobicContact CG2-CB 4.12Å; T878-L887 HydrophobicContact CG2-CD1 3.92Å |
| 879 | Y | 89.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 14% | 0.137 | 29% | 0.294 | C | S | . | . | trans | -120.1 | 22.1 | 170.4 | 54 | -85.5 | 0 | 0 | 0 | 110.7 | L814 T831 M841 F859 G863 A865 | L814-Y879 HydrophobicContact CD2-CD2 4.46Å; L814-Y879 HydrophobicContact CD2-CE2 4.35Å; T831-Y879 HydrophobicContact CG2-CD2 3.91Å; T831-Y879 HydrophobicContact CG2-CE2 3.84Å; M841-Y879 HydrophobicContact CE-CD2 4.21Å; M841-Y879 HydrophobicContact CE-CG 4.01Å; F859-Y879 AromaticContact CD1-CE1 3.78Å; F859-Y879 HydrophobicContact CD1-CE1 3.78Å; F859-Y879 AromaticContact CD1-CZ 4Å; F859-Y879 HydrophobicContact CE1-CE1 4.03Å; G863-Y879 VanDerWaalsContact C-CE1 3.41Å; G863-Y879 VanDerWaalsContact CA-CZ 3.49Å; G863-Y879 WeakPolarHBondContact O-CD1 3.49Å; G863-Y879 WeakPolarHBondContact O-CE1 3.29Å; G863-Y879 PolarHBondContact O-N 3.39Å; A865-Y879 HydrophobicContact CB-CE1 4.38Å | ||
| 880 | S | 88.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | trans | -109.4 | 130.8 | 170.2 | 175 | 0 | 0 | 0 | 0 | 109.7 | E862 T878 E882 M883 C884 | E862-S880 WeakPolarHBondContact O-CB 3.45Å; T878-S880 PolarHBondContact OG1-N 3.44Å; T878-S880 VanDerWaalsContact OG1-N 3.1Å; T878-S880 PolarHBondContact OG1-O 3.19Å; S880-E882 PolarHBondContact OG-N 3.03Å; S880-M883 PolarHBondContact OG-N 3.39Å; S880-C884 WeakPolarHBondContact O-CB 3.28Å; S880-C884 PolarHBondContact O-N 3.35Å | ||
| 881 | Q | 87.4 | Confident | 85.2 | Confident | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 175 | -177.8 | 61.7 | 47.3 | 0 | 0 | 111.1 | M883 C884 D885 | Q881-M883 PolarHBondContact O-N 3.31Å; Q881-C884 VanDerWaalsContact O-CB 3.32Å; Q881-C884 WeakPolarHBondContact O-CB 3.33Å; Q881-C884 PolarHBondContact O-N 3.2Å; Q881-C884 VanDerWaalsContact O-N 3.16Å; Q881-D885 PolarHBondContact NE2-OD1 3.12Å; Q881-D885 PolarHBondContact NE2-OD2 2.88Å; Q881-D885 VanDerWaalsContact O-CG 3.32Å; Q881-D885 PolarHBondContact O-N 3.17Å |
| 882 | E | 85.2 | Confident | 84.8 | Confident | 106 Ų | 106 | 57.1 Ų | 57.1 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 179.5 | 179.9 | 177.5 | -178.1 | 0 | 0 | 111.5 | S880 C884 D885 N886 | S880-E882 PolarHBondContact OG-N 3.03Å; E882-C884 VanDerWaalsContact C-N 3.3Å; E882-C884 PolarHBondContact O-N 3.49Å; E882-D885 PolarHBondContact O-N 2.6Å; E882-N886 PolarHBondContact O-N 3.25Å |
| 883 | M | 84.6 | Confident | 84.6 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.059 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 176.7 | -172.1 | 54.2 | -178.2 | 0 | 0 | 111.8 | Q864 S880 Q881 N886 L887 M890 | Q864-M883 HydrophobicContact CG-CG 3.96Å; S880-M883 PolarHBondContact OG-N 3.39Å; Q881-M883 PolarHBondContact O-N 3.31Å; M883-N886 HydrophobicContact SD-CB 4.35Å; M883-L887 HydrophobicContact CE-CD1 4.47Å; M883-L887 HydrophobicContact CE-CD2 4.1Å; M883-L887 HydrophobicContact CE-CG 4.05Å; M883-L887 HydrophobicContact CG-CD1 4.25Å; M883-L887 HydrophobicContact CG-CG 4.47Å; M883-L887 WeakPolarHBondContact O-CB 3.47Å; M883-L887 WeakPolarHBondContact O-CG 3.2Å; M883-L887 PolarHBondContact O-N 3.02Å; M883-M890 HydrophobicContact CE-CE 4.28Å |
| 884 | C | 86.6 | Confident | 84.4 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 32% | 0.324 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 172.8 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | T878 S880 Q881 E882 L887 Q888 | T878-C884 HydrophobicContact CG2-CB 4.12Å; S880-C884 WeakPolarHBondContact O-CB 3.28Å; S880-C884 PolarHBondContact O-N 3.35Å; Q881-C884 VanDerWaalsContact O-CB 3.32Å; Q881-C884 WeakPolarHBondContact O-CB 3.33Å; Q881-C884 PolarHBondContact O-N 3.2Å; Q881-C884 VanDerWaalsContact O-N 3.16Å; E882-C884 VanDerWaalsContact C-N 3.3Å; E882-C884 PolarHBondContact O-N 3.49Å; C884-L887 PolarHBondContact O-N 3.43Å; C884-Q888 WeakPolarHBondContact O-CG 3.43Å; C884-Q888 PolarHBondContact O-N 3.11Å; C884-Q888 VanDerWaalsContact O-N 3.09Å |
| 885 | D | 84.8 | Confident | 84.1 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 178.3 | -63.9 | -26 | 0 | 0 | 0 | 111.1 | Q881 E882 L887 Q888 E889 | Q881-D885 PolarHBondContact NE2-OD1 3.12Å; Q881-D885 PolarHBondContact NE2-OD2 2.88Å; Q881-D885 VanDerWaalsContact O-CG 3.32Å; Q881-D885 PolarHBondContact O-N 3.17Å; E882-D885 PolarHBondContact O-N 2.6Å; D885-L887 VanDerWaalsContact C-N 3.34Å; D885-L887 PolarHBondContact O-N 3.31Å; D885-Q888 WeakPolarHBondContact O-CB 3.45Å; D885-Q888 PolarHBondContact O-N 3.35Å; D885-E889 PolarHBondContact O-N 3.37Å; D885-E889 VanDerWaalsContact O-N 3.15Å |
| 886 | N | 81.3 | Confident | 83.8 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.3 | -174.6 | 26.1 | 0 | 0 | 0 | 112.6 | H263 E882 M883 Q888 E889 M890 | H263-N886 PolarHBondContact O-ND2 3.48Å; E882-N886 PolarHBondContact O-N 3.25Å; M883-N886 HydrophobicContact SD-CB 4.35Å; N886-Q888 VanDerWaalsContact C-N 3.28Å; N886-Q888 PolarHBondContact O-N 2.82Å; N886-E889 PolarHBondContact O-N 3.29Å; N886-M890 PolarHBondContact O-N 3.34Å; N886-M890 VanDerWaalsContact O-N 3.13Å |
| 887 | L | 78.9 | Confident | 83.4 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 173.1 | -75.1 | 168 | 0 | 0 | 0 | 112.6 | F286 T878 M883 C884 D885 M890 L891 | F286-L887 HydrophobicContact CE2-CD2 3.8Å; F286-L887 WeakPolarHBondContact CE2-O 3.4Å; F286-L887 HydrophobicContact CZ-CB 4.48Å; F286-L887 HydrophobicContact CZ-CD2 3.99Å; F286-L887 WeakPolarHBondContact CZ-O 3.43Å; T878-L887 HydrophobicContact CG2-CD1 3.92Å; M883-L887 HydrophobicContact CE-CD1 4.47Å; M883-L887 HydrophobicContact CE-CD2 4.1Å; M883-L887 HydrophobicContact CE-CG 4.05Å; M883-L887 HydrophobicContact CG-CD1 4.25Å; M883-L887 HydrophobicContact CG-CG 4.47Å; M883-L887 WeakPolarHBondContact O-CB 3.47Å; M883-L887 WeakPolarHBondContact O-CG 3.2Å; M883-L887 PolarHBondContact O-N 3.02Å; C884-L887 PolarHBondContact O-N 3.43Å; D885-L887 VanDerWaalsContact C-N 3.34Å; D885-L887 PolarHBondContact O-N 3.31Å; L887-M890 HydrophobicContact CD2-CE 3.67Å; L887-M890 HydrophobicContact CG-CE 4.24Å; L887-M890 PolarHBondContact O-N 2.85Å; L887-L891 PolarHBondContact O-N 3.47Å |
| 888 | Q | 80.3 | Confident | 83 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 174.4 | -66.3 | -66.1 | -46.3 | 0 | 0 | 112 | C884 D885 N886 M890 L891 | C884-Q888 WeakPolarHBondContact O-CG 3.43Å; C884-Q888 PolarHBondContact O-N 3.11Å; C884-Q888 VanDerWaalsContact O-N 3.09Å; D885-Q888 WeakPolarHBondContact O-CB 3.45Å; D885-Q888 PolarHBondContact O-N 3.35Å; N886-Q888 VanDerWaalsContact C-N 3.28Å; N886-Q888 PolarHBondContact O-N 2.82Å; Q888-M890 VanDerWaalsContact C-N 3.26Å; Q888-M890 PolarHBondContact O-N 3.01Å; Q888-L891 WeakPolarHBondContact O-CB 3.5Å; Q888-L891 PolarHBondContact O-N 3.4Å |
| 889 | E | 78.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 81 Ų | 81 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 175 | -66.6 | -174.4 | 171 | 0 | 0 | 112.9 | T259 S262 D885 N886 L891 | T259-E889 PolarHBondContact OG1-O 3.45Å; S262-E889 WeakPolarHBondContact CB-OE2 3.13Å; S262-E889 PolarHBondContact OG-OE2 3.11Å; D885-E889 PolarHBondContact O-N 3.37Å; D885-E889 VanDerWaalsContact O-N 3.15Å; N886-E889 PolarHBondContact O-N 3.29Å; E889-L891 VanDerWaalsContact C-N 3.31Å |
| 890 | M | 76.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.6 | 175.8 | -81.4 | -167.2 | -85.1 | 0 | 0 | 113.6 | G261 T264 F286 M883 N886 L887 Q888 G892 | G261-M890 VanDerWaalsContact CA-CG 3.42Å; G261-M890 VanDerWaalsContact N-CG 3.26Å; T264-M890 HydrophobicContact CG2-SD 4.21Å; F286-M890 HydrophobicContact CD2-CB 3.54Å; F286-M890 HydrophobicContact CD2-CG 4.39Å; F286-M890 HydrophobicContact CD2-SD 4.07Å; F286-M890 HydrophobicContact CE2-CB 3.27Å; F286-M890 HydrophobicContact CE2-CE 4.38Å; F286-M890 HydrophobicContact CE2-CG 4.31Å; F286-M890 HydrophobicContact CE2-SD 4.2Å; F286-M890 HydrophobicContact CZ-CB 4.41Å; M883-M890 HydrophobicContact CE-CE 4.28Å; N886-M890 PolarHBondContact O-N 3.34Å; N886-M890 VanDerWaalsContact O-N 3.13Å; L887-M890 HydrophobicContact CD2-CE 3.67Å; L887-M890 HydrophobicContact CG-CE 4.24Å; L887-M890 PolarHBondContact O-N 2.85Å; Q888-M890 VanDerWaalsContact C-N 3.26Å; Q888-M890 PolarHBondContact O-N 3.01Å; M890-G892 PolarHBondContact O-N 3.34Å |
| 891 | L | 77.9 | Confident | 81.7 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 44% | 0.44 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 121.4 | 175.7 | -71.5 | 174.8 | 0 | 0 | 0 | 109.5 | F286 L887 Q888 E889 | F286-L891 HydrophobicContact CE1-CD2 3.59Å; F286-L891 HydrophobicContact CZ-CD2 3.63Å; F286-L891 HydrophobicContact CZ-CG 4.19Å; L887-L891 PolarHBondContact O-N 3.47Å; Q888-L891 WeakPolarHBondContact O-CB 3.5Å; Q888-L891 PolarHBondContact O-N 3.4Å; E889-L891 VanDerWaalsContact C-N 3.31Å |
| 892 | G | 75.9 | Confident | 81 | Confident | 40 Ų | 40 | 90.5 Ų | 90.5 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 168.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T257 M890 | T257-G892 CarbonylContact O-C 3.57Å; T257-G892 VanDerWaalsContact O-C 3.28Å; T257-G892 WeakPolarHBondContact O-CA 3.31Å; M890-G892 PolarHBondContact O-N 3.34Å |
| 893 | E | 82 | Confident | 80.2 | Confident | 132 Ų | 132 | 87.5 Ų | 87.5 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -92.1 | 120.7 | 168.4 | -65.6 | -170.1 | 164.9 | 0 | 0 | 109.9 | G256 T257 | G256-E893 CarbonylContact C-O 3.51Å; G256-E893 WeakPolarHBondContact CA-O 3.38Å; T257-E893 PolarHBondContact N-O 3.28Å; T257-E893 PolarHBondContact O-N 2.8Å |
| 894 | L | 83.4 | Confident | 79.2 | Confident | 158 Ų | 158 | 93.2 Ų | 93.2 | 83% | 0.827 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -72.2 | -36.3 | 174.5 | -178.6 | 62.8 | 0 | 0 | 0 | 111.9 | ||
| 895 | F | 83.8 | Confident | 77.8 | Confident | 164 Ų | 164 | 98 Ų | 98 | 72% | 0.719 | 52% | 0.519 | S | S | * | . | trans | -97.1 | 103.9 | -179.2 | -178.6 | -96.4 | 0 | 0 | 0 | 110.1 | P897 | F895-P897 HydrophobicContact CE1-CB 4.28Š| ||
| 896 | T | 82.7 | Confident | 76.4 | Confident | 50 Ų | 50 | 100.5 Ų | 100.5 | 31% | 0.307 | 52% | 0.522 | S | S | . | . | trans | -95.7 | 123.9 | 168 | -47.5 | 0 | 0 | 0 | 0 | 108.2 | I898 | T896-I898 PolarHBondContact O-N 3.33Å; T896-I898 VanDerWaalsContact O-N 3.11Å | ||
| 897 | P | 82 | Confident | 74.9 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | trans | -64.6 | 115.8 | 177 | 25.7 | -32.1 | 0 | 0 | 0 | 109.6 | F895 | F895-P897 HydrophobicContact CE1-CB 4.28Š| ||
| 898 | I | 82.1 | Confident | 73.5 | Confident | 139 Ų | 139 | 109.5 Ų | 109.5 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | trans | -123.9 | 138 | 175.7 | -60.9 | 168.4 | 0 | 0 | 0 | 106.7 | T896 T900 | T896-I898 PolarHBondContact O-N 3.33Å; T896-I898 VanDerWaalsContact O-N 3.11Å; I898-T900 PolarHBondContact O-N 2.81Å; I898-T900 VanDerWaalsContact O-N 3.12Å | ||
| 899 | E | 82.1 | Confident | 72.1 | Confident | 185 Ų | 185 | 112.1 Ų | 112.1 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.3 | 172.2 | -72.2 | -175.7 | 170.7 | 0 | 0 | 109.2 | P901 | E899-P901 WeakPolarHBondContact O-CD 3.45Š|
| 900 | T | 78.9 | Confident | 70.6 | Confident | 117 Ų | 117 | 113.5 Ų | 113.5 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.4 | 172 | 33 | 0 | 0 | 0 | 0 | 108.6 | I898 E902 | I898-T900 PolarHBondContact O-N 2.81Å; I898-T900 VanDerWaalsContact O-N 3.12Å; T900-E902 PolarHBondContact O-N 2.85Å |
| 901 | P | 79.4 | Confident | 69 | Low | 75 Ų | 75 | 116.5 Ų | 116.5 | 49% | 0.487 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 139.2 | 177.7 | -26.2 | 32.9 | 0 | 0 | 0 | 110.4 | Y173 E899 A903 | Y173-P901 HydrophobicContact CE2-CB 4.42Å; Y173-P901 WeakPolarHBondContact CE2-O 3.45Å; Y173-P901 VanDerWaalsContact CZ-O 3.23Å; Y173-P901 PolarHBondContact OH-O 3.39Å; E899-P901 WeakPolarHBondContact O-CD 3.45Å; P901-A903 PolarHBondContact O-N 3.3Å |
| 902 | E | 73.1 | Confident | 67.5 | Low | 177 Ų | 177 | 119.6 Ų | 119.6 | 83% | 0.827 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.2 | 175.1 | -70.6 | -171.1 | 167.3 | 0 | 0 | 110.1 | T900 Q904 | T900-E902 PolarHBondContact O-N 2.85Å; E902-Q904 PolarHBondContact O-N 3.02Å |
| 903 | A | 69 | Low | 66.2 | Low | 43 Ų | 43 | 127.1 Ų | 127.1 | 36% | 0.355 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 137.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y173 P901 N905 | Y173-A903 HydrophobicContact CD1-CB 4.1Å; Y173-A903 HydrophobicContact CD2-CB 4.13Å; Y173-A903 HydrophobicContact CE1-CB 3.84Å; Y173-A903 HydrophobicContact CE2-CB 3.87Å; Y173-A903 HydrophobicContact CG-CB 4.24Å; P901-A903 PolarHBondContact O-N 3.3Å; A903-N905 PolarHBondContact O-N 2.86Å; A903-N905 VanDerWaalsContact O-N 3.07Å |
| 904 | Q | 63.7 | Low | 64.2 | Low | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 119.9 | 177.7 | -78.5 | -168.7 | -12.3 | 0 | 0 | 110.5 | E176 E902 R906 | E176-Q904 HydrophobicContact CG-CB 4.34Å; E176-Q904 HydrophobicContact CG-CG 4.35Å; E176-Q904 WeakPolarHBondContact OE1-CB 3.33Å; E176-Q904 WeakPolarHBondContact OE1-CG 3.46Å; E176-Q904 PolarHBondContact OE1-N 2.93Å; E902-Q904 PolarHBondContact O-N 3.02Å; Q904-R906 PolarHBondContact O-N 3.42Å; Q904-R906 VanDerWaalsContact O-N 3.07Å |
| 905 | N | 55.9 | Low | 62.2 | Low | 150 Ų | 150 | 119.2 Ų | 119.2 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 118.4 | 175.4 | -93.4 | -48.7 | 0 | 0 | 0 | 109.9 | A903 G907 | A903-N905 PolarHBondContact O-N 2.86Å; A903-N905 VanDerWaalsContact O-N 3.07Å; N905-G907 PolarHBondContact O-N 2.75Å |
| 906 | R | 56.8 | Low | 59.9 | Low | 135 Ų | 135 | 118.1 Ų | 118.1 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | trans | -59 | 103.5 | 170.3 | -72.2 | 179.9 | 172.5 | -164.2 | -2.9 | 107.1 | K25 Q904 F908 | K25-R906 PolarHBondContact O-NH1 2.86Å; K25-R906 PolarHBondContact O-NH2 3.33Å; Q904-R906 PolarHBondContact O-N 3.42Å; Q904-R906 VanDerWaalsContact O-N 3.07Å; R906-F908 PolarHBondContact O-N 2.75Å | ||
| 907 | G | 49.4 | Very low | 58.1 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 54% | 0.536 | 68% | 0.676 | S | S | . | * | trans | -40 | 132.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.7 | N905 L909 K910 | N905-G907 PolarHBondContact O-N 2.75Å; G907-L909 PolarHBondContact O-N 2.84Å; G907-K910 WeakPolarHBondContact O-CB 3.37Å; G907-K910 PolarHBondContact O-N 2.69Å | ||
| 908 | F | 49.3 | Very low | 56.6 | Low | 177 Ų | 177 | 122.1 Ų | 122.1 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -42.4 | -32.2 | -175.2 | -174.8 | -99.3 | 0 | 0 | 0 | 115.3 | R906 K910 G911 F912 | R906-F908 PolarHBondContact O-N 2.75Å; F908-K910 VanDerWaalsContact C-N 3.26Å; F908-K910 PolarHBondContact O-N 2.84Å; F908-G911 PolarHBondContact O-N 2.9Å; F908-F912 HydrophobicContact CE1-CD2 4.38Å; F908-F912 AromaticContact CE1-CE2 3.94Å; F908-F912 HydrophobicContact CE1-CE2 3.94Å; F908-F912 HydrophobicContact CZ-CE2 4.25Å |
| 909 | L | 51.3 | Low | 55.3 | Low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -68.6 | -16.2 | 179 | -80.3 | 158.6 | 0 | 0 | 0 | 114.7 | G907 G911 F912 | G907-L909 PolarHBondContact O-N 2.84Å; L909-G911 VanDerWaalsContact C-N 3.3Å; L909-G911 PolarHBondContact O-N 2.97Å; L909-F912 PolarHBondContact O-N 2.87Å |
| 910 | K | 47.9 | Very low | 54.6 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -74.8 | -20 | 178.4 | -149.2 | 177 | -174.8 | -179.2 | 0 | 113 | G907 F908 | G907-K910 WeakPolarHBondContact O-CB 3.37Å; G907-K910 PolarHBondContact O-N 2.69Å; F908-K910 VanDerWaalsContact C-N 3.26Å; F908-K910 PolarHBondContact O-N 2.84Å |
| 911 | G | 42.4 | Very low | 54.1 | Low | 66 Ų | 66 | 113.1 Ų | 113.1 | 68% | 0.68 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -77.7 | -17 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F908 L909 | F908-G911 PolarHBondContact O-N 2.9Å; L909-G911 VanDerWaalsContact C-N 3.3Å; L909-G911 PolarHBondContact O-N 2.97Å |
| 912 | F | 45.9 | Very low | 53.8 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -88.5 | -15.3 | -174.7 | -99.7 | -87.3 | 0 | 0 | 0 | 114.8 | F908 L909 | F908-F912 HydrophobicContact CE1-CD2 4.38Å; F908-F912 AromaticContact CE1-CE2 3.94Å; F908-F912 HydrophobicContact CE1-CE2 3.94Å; F908-F912 HydrophobicContact CZ-CE2 4.25Å; L909-F912 PolarHBondContact O-N 2.87Å |
| 913 | F | 49.3 | Very low | 53.8 | Low | 197 Ų | 197 | 112.3 Ų | 112.3 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -130.8 | 6.1 | -175.7 | -73.3 | -78.4 | 0 | 0 | 0 | 115.5 | ||
| 914 | G | 39.7 | Very low | 54 | Low | 47 Ų | 47 | 117.5 Ų | 117.5 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -145.7 | 122.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 915 | G | 40.5 | Very low | 54.3 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | trans | -51.9 | 151.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A917 | G915-A917 PolarHBondContact O-N 2.83Š| ||
| 916 | N | 36.7 | Very low | 55.2 | Low | 142 Ų | 142 | 111 Ų | 111 | 76% | 0.759 | 60% | 0.6 | S | S | * | * | trans | -6.5 | 85.9 | 173.4 | -69.1 | 9.3 | 0 | 0 | 0 | 115.2 | H918 | N916-H918 PolarHBondContact O-N 2.83Š| ||
| 917 | A | 44.2 | Very low | 55.8 | Low | 96 Ų | 96 | 104.9 Ų | 104.9 | 79% | 0.793 | 58% | 0.578 | S | S | * | * | trans | -75.4 | 79.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | G915 T919 | G915-A917 PolarHBondContact O-N 2.83Å; A917-T919 PolarHBondContact O-N 3.33Å | ||
| 918 | H | 50 | Low | 56.8 | Low | 140 Ų | 140 | 108 Ų | 108 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | trans | -54.7 | 128.8 | 161.6 | -77.6 | -80 | 0 | 0 | 0 | 107.4 | N916 F920 | N916-H918 PolarHBondContact O-N 2.83Å; H918-F920 PolarHBondContact O-N 2.74Å | ||
| 919 | T | 56.2 | Low | 57.8 | Low | 135 Ų | 135 | 104.9 Ų | 104.9 | 83% | 0.828 | 59% | 0.586 | S | S | * | * | trans | -47.3 | 124.6 | 167.7 | 36.5 | 0 | 0 | 0 | 0 | 108.3 | A917 D921 | A917-T919 PolarHBondContact O-N 3.33Å; T919-D921 PolarHBondContact O-N 3.19Å | ||
| 920 | F | 66.1 | Low | 58.6 | Low | 27 Ų | 27 | 101.5 Ų | 101.5 | 12% | 0.118 | 58% | 0.577 | C | S | . | * | trans | -69.4 | 101.7 | -178.1 | 178.4 | -109.4 | 0 | 0 | 0 | 108.5 | E27 L44 R45 H918 R922 L925 F926 | E27-F920 HydrophobicContact CB-CD1 4.14Å; L44-F920 HydrophobicContact CB-CE2 4.36Å; L44-F920 HydrophobicContact CB-CZ 4.03Å; L44-F920 HydrophobicContact CD1-CE1 4.16Å; L44-F920 HydrophobicContact CD1-CZ 3.74Å; R45-F920 HydrophobicContact CG-CD2 4.08Å; R45-F920 HydrophobicContact CG-CE2 3.73Å; H918-F920 PolarHBondContact O-N 2.74Å; F920-R922 HydrophobicContact CD1-CG 3.91Å; F920-R922 HydrophobicContact CE1-CG 3.83Å; F920-R922 PolarHBondContact O-N 3.36Å; F920-L925 HydrophobicContact CZ-CD2 4.36Å; F920-F926 HydrophobicContact CE1-CE2 4.46Å; F920-F926 HydrophobicContact CZ-CE2 4.33Å | ||
| 921 | D | 70.3 | Confident | 59.5 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | trans | -79.3 | 105.8 | 178.1 | -169.2 | -9.5 | 0 | 0 | 0 | 109.7 | T919 E923 E924 | T919-D921 PolarHBondContact O-N 3.19Å; D921-E923 PolarHBondContact O-N 3.14Å; D921-E923 VanDerWaalsContact OD1-CB 3.29Å; D921-E923 WeakPolarHBondContact OD1-CB 3.32Å; D921-E923 PolarHBondContact OD1-N 2.96Å; D921-E924 HydrophobicContact CB-CB 4.08Å; D921-E924 PolarHBondContact O-N 3.03Å | ||
| 922 | R | 72.4 | Confident | 60.6 | Low | 109 Ų | 109 | 97.1 Ų | 97.1 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -29 | 178.4 | -63.7 | -177.9 | 99.2 | 113.3 | -1.9 | 111 | D22 F920 L925 F926 | D22-R922 IonicContact OD1-NH2 2.68Å; D22-R922 IonicContact OD2-CZ 2.93Å; D22-R922 IonicContact OD2-NH1 3.42Å; D22-R922 PolarHBondContact OD2-NH1 3.1Å; D22-R922 IonicContact OD2-NH2 3.65Å; D22-R922 PolarHBondContact OD2-NH2 3.07Å; F920-R922 HydrophobicContact CD1-CG 3.91Å; F920-R922 HydrophobicContact CE1-CG 3.83Å; F920-R922 PolarHBondContact O-N 3.36Å; R922-L925 PolarHBondContact O-N 3.1Å; R922-F926 HydrophobicContact CB-CD2 4.28Å; R922-F926 WeakPolarHBondContact O-CB 2.95Å; R922-F926 WeakPolarHBondContact O-CD2 3.33Å; R922-F926 PolarHBondContact O-N 2.9Å |
| 923 | E | 71.9 | Confident | 61.4 | Low | 127 Ų | 127 | 97.9 Ų | 97.9 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.2 | -34.4 | 179.1 | -167.4 | 60.3 | -153.6 | 0 | 0 | 111.2 | D921 L925 G927 | D921-E923 PolarHBondContact O-N 3.14Å; D921-E923 VanDerWaalsContact OD1-CB 3.29Å; D921-E923 WeakPolarHBondContact OD1-CB 3.32Å; D921-E923 PolarHBondContact OD1-N 2.96Å; E923-L925 VanDerWaalsContact C-N 3.27Å; E923-L925 PolarHBondContact O-N 2.86Å; E923-G927 WeakPolarHBondContact O-CA 3.24Å; E923-G927 PolarHBondContact O-N 2.89Å; E923-G927 WeakPolarHBondContact OE1-CA 3.47Å |
| 924 | E | 74.7 | Confident | 61.7 | Low | 152 Ų | 152 | 92.9 Ų | 92.9 | 71% | 0.71 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -36.5 | 175.4 | -169.4 | -173.2 | 171.9 | 0 | 0 | 111.9 | D921 A930 | D921-E924 HydrophobicContact CB-CB 4.08Å; D921-E924 PolarHBondContact O-N 3.03Å; E924-A930 WeakPolarHBondContact O-CB 3.09Å |
| 925 | L | 70.5 | Confident | 62.5 | Low | 43 Ų | 43 | 93.6 Ų | 93.6 | 23% | 0.225 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -94.2 | -37.3 | -173.3 | -148.1 | 104.7 | 0 | 0 | 0 | 113.7 | L44 R45 F920 R922 E923 | L44-L925 HydrophobicContact CB-CD2 3.8Å; R45-L925 HydrophobicContact CG-CD1 4.42Å; F920-L925 HydrophobicContact CZ-CD2 4.36Å; R922-L925 PolarHBondContact O-N 3.1Å; E923-L925 VanDerWaalsContact C-N 3.27Å; E923-L925 PolarHBondContact O-N 2.86Å |
| 926 | F | 74.7 | Confident | 63.1 | Low | 102 Ų | 102 | 101.3 Ų | 101.3 | 45% | 0.447 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -115.2 | -10.2 | -174 | -58 | -71 | 0 | 0 | 0 | 113.5 | L44 F920 R922 A931 | L44-F926 HydrophobicContact CD1-CE2 4.18Å; L44-F926 HydrophobicContact CD1-CZ 3.92Å; L44-F926 HydrophobicContact CD2-CZ 3.83Å; L44-F926 HydrophobicContact CG-CZ 4.42Å; F920-F926 HydrophobicContact CE1-CE2 4.46Å; F920-F926 HydrophobicContact CZ-CE2 4.33Å; R922-F926 HydrophobicContact CB-CD2 4.28Å; R922-F926 WeakPolarHBondContact O-CB 2.95Å; R922-F926 WeakPolarHBondContact O-CD2 3.33Å; R922-F926 PolarHBondContact O-N 2.9Å; F926-A931 WeakPolarHBondContact O-CB 3.4Å |
| 927 | G | 68.6 | Low | 63.9 | Low | 5 Ų | 5 | 99.5 Ų | 99.5 | 5% | 0.052 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -65.5 | 165.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E923 A929 A930 A931 | E923-G927 WeakPolarHBondContact O-CA 3.24Å; E923-G927 PolarHBondContact O-N 2.89Å; E923-G927 WeakPolarHBondContact OE1-CA 3.47Å; G927-A929 PolarHBondContact O-N 3.05Å; G927-A929 VanDerWaalsContact O-N 3.07Å; G927-A930 PolarHBondContact O-N 2.84Å; G927-A931 PolarHBondContact O-N 2.81Å |
| 928 | E | 69.6 | Low | 64.2 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.2 | -32.2 | -170.6 | -163.5 | -177.2 | 140 | 0 | 0 | 112.8 | A930 G932 K933 | E928-A930 VanDerWaalsContact C-N 3.35Å; E928-A930 PolarHBondContact O-N 3.45Å; E928-G932 CarbonylContact O-C 3.49Å; E928-G932 WeakPolarHBondContact O-CA 3.09Å; E928-G932 PolarHBondContact O-N 2.76Å; E928-K933 HydrophobicContact CG-CG 3.74Å; E928-K933 WeakPolarHBondContact OE1-CE 3.38Å; E928-K933 WeakPolarHBondContact OE1-CG 3.45Å; E928-K933 IonicContact OE1-NZ 3.88Å |
| 929 | A | 70.4 | Confident | 63.9 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 92% | 0.917 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -34.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G927 | G927-A929 PolarHBondContact O-N 3.05Å; G927-A929 VanDerWaalsContact O-N 3.07Å |
| 930 | A | 67.6 | Low | 63.3 | Low | 65 Ų | 65 | 101.2 Ų | 101.2 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -104.5 | -38 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E924 G927 E928 | E924-A930 WeakPolarHBondContact O-CB 3.09Å; G927-A930 PolarHBondContact O-N 2.84Å; E928-A930 VanDerWaalsContact C-N 3.35Å; E928-A930 PolarHBondContact O-N 3.45Å |
| 931 | A | 67.3 | Low | 62.2 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88 | -14.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F926 G927 | F926-A931 WeakPolarHBondContact O-CB 3.4Å; G927-A931 PolarHBondContact O-N 2.81Å |
| 932 | G | 65.4 | Low | 61 | Low | 39 Ų | 39 | 109.9 Ų | 109.9 | 40% | 0.402 | 61% | 0.606 | S | S | . | * | trans | 78.4 | 167.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E928 A934 | E928-G932 CarbonylContact O-C 3.49Å; E928-G932 WeakPolarHBondContact O-CA 3.09Å; E928-G932 PolarHBondContact O-N 2.76Å; G932-A934 PolarHBondContact O-N 3.31Å | ||
| 933 | K | 62.5 | Low | 59.4 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 71% | 0.713 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -58.9 | 126.6 | 173.5 | -79.7 | -178.8 | 177.5 | 178.2 | 0 | 110 | E928 S935 | E928-K933 HydrophobicContact CG-CG 3.74Å; E928-K933 WeakPolarHBondContact OE1-CE 3.38Å; E928-K933 WeakPolarHBondContact OE1-CG 3.45Å; E928-K933 IonicContact OE1-NZ 3.88Å; K933-S935 PolarHBondContact O-N 3.15Å |
| 934 | A | 57.4 | Low | 57.8 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 76% | 0.76 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 137.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G932 R936 | G932-A934 PolarHBondContact O-N 3.31Å; A934-R936 PolarHBondContact O-N 3.27Å; A934-R936 VanDerWaalsContact O-N 3.14Å |
| 935 | S | 54.9 | Low | 56.4 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 120.8 | 173.5 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | K933 S937 L938 | K933-S935 PolarHBondContact O-N 3.15Å; S935-S937 PolarHBondContact O-N 3.18Å; S935-S937 PolarHBondContact OG-N 3.22Å; S935-S937 PolarHBondContact OG-OG 2.79Å; S935-L938 PolarHBondContact O-N 3.08Å |
| 936 | R | 54.5 | Low | 55.1 | Low | 239 Ų | 239 | 106.2 Ų | 106.2 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -9.3 | 177.2 | -69.3 | -177.7 | 176.6 | 178.3 | -2.6 | 113.6 | A934 | A934-R936 PolarHBondContact O-N 3.27Å; A934-R936 VanDerWaalsContact O-N 3.14Å |
| 937 | S | 52.2 | Low | 53.5 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -4 | -172.3 | 73.1 | 0 | 0 | 0 | 0 | 115.7 | S935 | S935-S937 PolarHBondContact O-N 3.18Å; S935-S937 PolarHBondContact OG-N 3.22Å; S935-S937 PolarHBondContact OG-OG 2.79Å |
| 938 | L | 50.5 | Low | 52.5 | Low | 151 Ų | 151 | 108.5 Ų | 108.5 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -30.2 | -173.2 | -94 | 161.6 | 0 | 0 | 0 | 113.8 | S935 | S935-L938 PolarHBondContact O-N 3.08Š|
| 939 | A | 44.6 | Very low | 51.2 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | trans | -153.1 | 114.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | H941 | A939-H941 PolarHBondContact O-N 3.3Š| ||
| 940 | Q | 44 | Very low | 49.8 | Very low | 168 Ų | 168 | 107.4 Ų | 107.4 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | trans | -78.5 | 118.9 | 173 | -155.7 | 170.4 | 10.1 | 0 | 0 | 106.4 | I942 | Q940-I942 VanDerWaalsContact C-N 3.25Å; Q940-I942 PolarHBondContact O-N 3.46Å | ||
| 941 | H | 41.4 | Very low | 48.6 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | trans | -61.3 | 99.5 | 162 | 178.4 | -104.2 | 0 | 0 | 0 | 106 | A939 P943 | A939-H941 PolarHBondContact O-N 3.3Å; H941-P943 WeakPolarHBondContact O-CD 3.33Å | ||
| 942 | I | 45 | Very low | 47.3 | Very low | 141 Ų | 141 | 113.7 Ų | 113.7 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | trans | -69.8 | 109.5 | 159.6 | -56.5 | 174.4 | 0 | 0 | 0 | 102.3 | Q940 G944 | Q940-I942 VanDerWaalsContact C-N 3.25Å; Q940-I942 PolarHBondContact O-N 3.46Å; I942-G944 PolarHBondContact O-N 2.8Å | ||
| 943 | P | 39.6 | Very low | 46.1 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | trans | -52.2 | 122.5 | 171.9 | -15.7 | 29.5 | 0 | 0 | 0 | 105.7 | H941 Q945 | H941-P943 WeakPolarHBondContact O-CD 3.33Å; P943-Q945 PolarHBondContact O-N 3Å | ||
| 944 | G | 37.7 | Very low | 45 | Very low | 62 Ų | 62 | 109.9 Ų | 109.9 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | trans | -48.5 | 133.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106 | I942 G946 | I942-G944 PolarHBondContact O-N 2.8Å; G944-G946 PolarHBondContact O-N 3.47Å | ||
| 945 | Q | 45 | Very low | 44.2 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | trans | -66.1 | 61.2 | 166.6 | -72.3 | 177.3 | -13.9 | 0 | 0 | 108 | P943 G947 | P943-Q945 PolarHBondContact O-N 3Å; Q945-G947 PolarHBondContact O-N 2.95Å | ||
| 946 | G | 43.8 | Very low | 43.5 | Very low | 81 Ų | 81 | 110.3 Ų | 110.3 | 84% | 0.835 | 65% | 0.645 | S | S | * | * | trans | -96.1 | 73.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | G944 | G944-G946 PolarHBondContact O-N 3.47Š| ||
| 947 | G | 41.6 | Very low | 42.9 | Very low | 43 Ų | 43 | 100.1 Ų | 100.1 | 44% | 0.443 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 177.5 | 119.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q945 E949 G950 | Q945-G947 PolarHBondContact O-N 2.95Å; G947-E949 PolarHBondContact O-N 3.48Å; G947-G950 WeakPolarHBondContact O-CA 3.49Å; G947-G950 PolarHBondContact O-N 3.02Å |
| 948 | V | 48.2 | Very low | 42.5 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -55.3 | -25.3 | -173.9 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | M951 K952 | V948-M951 PolarHBondContact O-N 3.4Å; V948-K952 PolarHBondContact O-N 3.4Å |
| 949 | E | 42 | Very low | 42.3 | Very low | 173 Ų | 173 | 95.9 Ų | 95.9 | 81% | 0.808 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.2 | -31.4 | 171.8 | -91.3 | 175.4 | 143.1 | 0 | 0 | 114.3 | G947 V953 | G947-E949 PolarHBondContact O-N 3.48Å; E949-V953 PolarHBondContact O-N 2.92Å |
| 950 | G | 41 | Very low | 42.3 | Very low | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.5 | -28.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G947 V953 A954 | G947-G950 WeakPolarHBondContact O-CA 3.49Å; G947-G950 PolarHBondContact O-N 3.02Å; G950-V953 PolarHBondContact O-N 3.02Å; G950-A954 WeakPolarHBondContact O-CB 3.24Å; G950-A954 PolarHBondContact O-N 2.73Å |
| 951 | M | 41.1 | Very low | 42.5 | Very low | 97 Ų | 97 | 90.4 Ų | 90.4 | 48% | 0.478 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.5 | -32.7 | 179.5 | -154.3 | 128.6 | 84.4 | 0 | 0 | 112.2 | V948 V953 A954 A955 | V948-M951 PolarHBondContact O-N 3.4Å; M951-V953 VanDerWaalsContact C-N 3.3Å; M951-V953 PolarHBondContact O-N 2.95Å; M951-A954 PolarHBondContact O-N 3.42Å; M951-A955 PolarHBondContact O-N 3.39Å |
| 952 | K | 40.3 | Very low | 42.8 | Very low | 170 Ų | 170 | 89.1 Ų | 89.1 | 74% | 0.739 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -36.1 | 168.6 | -93.7 | -177.6 | 174.7 | 175.3 | 0 | 112.3 | V948 | V948-K952 PolarHBondContact O-N 3.4Å |
| 953 | V | 40.3 | Very low | 42.9 | Very low | 98 Ų | 98 | 84.8 Ų | 84.8 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -76.7 | -35.3 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | E949 G950 M951 S956 G957 | E949-V953 PolarHBondContact O-N 2.92Å; G950-V953 PolarHBondContact O-N 3.02Å; M951-V953 VanDerWaalsContact C-N 3.3Å; M951-V953 PolarHBondContact O-N 2.95Å; V953-S956 CarbonylContact O-C 3.59Å; V953-S956 PolarHBondContact O-N 3.1Å; V953-S956 PolarHBondContact O-OG 3.21Å; V953-G957 PolarHBondContact O-N 2.79Å |
| 954 | A | 39.5 | Very low | 43.4 | Very low | 25 Ų | 25 | 87.9 Ų | 87.9 | 21% | 0.207 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G950 M951 S956 G957 A958 | G950-A954 WeakPolarHBondContact O-CB 3.24Å; G950-A954 PolarHBondContact O-N 2.73Å; M951-A954 PolarHBondContact O-N 3.42Å; A954-S956 VanDerWaalsContact C-N 3.27Å; A954-S956 PolarHBondContact O-N 3.27Å; A954-G957 CarbonylContact O-C 3.18Å; A954-G957 PolarHBondContact O-N 3.48Å; A954-G957 VanDerWaalsContact O-N 3.09Å; A954-A958 WeakPolarHBondContact O-CB 3.4Å; A954-A958 PolarHBondContact O-N 3.47Å |
| 955 | A | 40.8 | Very low | 44.1 | Very low | 79 Ų | 79 | 87.6 Ų | 87.6 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.7 | -32.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | M951 | M951-A955 PolarHBondContact O-N 3.39Å |
| 956 | S | 41.4 | Very low | 44.6 | Very low | 85 Ų | 85 | 89.5 Ų | 89.5 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -81.7 | -24.2 | 170 | 73 | 0 | 0 | 0 | 0 | 113.7 | V953 A954 | V953-S956 CarbonylContact O-C 3.59Å; V953-S956 PolarHBondContact O-N 3.1Å; V953-S956 PolarHBondContact O-OG 3.21Å; A954-S956 VanDerWaalsContact C-N 3.27Å; A954-S956 PolarHBondContact O-N 3.27Å |
| 957 | G | 41.3 | Very low | 45.4 | Very low | 25 Ų | 25 | 90.4 Ų | 90.4 | 26% | 0.258 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -87.3 | -22.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V953 A954 V959 G960 E961 | V953-G957 PolarHBondContact O-N 2.79Å; A954-G957 CarbonylContact O-C 3.18Å; A954-G957 PolarHBondContact O-N 3.48Å; A954-G957 VanDerWaalsContact O-N 3.09Å; G957-V959 PolarHBondContact O-N 2.9Å; G957-G960 CarbonylContact O-C 3.46Å; G957-G960 WeakPolarHBondContact O-CA 3.33Å; G957-G960 PolarHBondContact O-N 3.48Å; G957-E961 PolarHBondContact O-N 3.26Å |
| 958 | A | 43.6 | Very low | 46.2 | Very low | 55 Ų | 55 | 90.9 Ų | 90.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -32.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A954 E961 L962 | A954-A958 WeakPolarHBondContact O-CB 3.4Å; A954-A958 PolarHBondContact O-N 3.47Å; A958-E961 PolarHBondContact O-N 3.24Å; A958-L962 VanDerWaalsContact O-CB 3.3Å; A958-L962 WeakPolarHBondContact O-CB 3.49Å; A958-L962 PolarHBondContact O-N 3.45Å |
| 959 | V | 47.1 | Very low | 46.5 | Very low | 110 Ų | 110 | 90.6 Ų | 90.6 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | G957 A963 | G957-V959 PolarHBondContact O-N 2.9Å; V959-A963 WeakPolarHBondContact O-CB 3.5Å; V959-A963 PolarHBondContact O-N 3.04Å |
| 960 | G | 43.5 | Very low | 47.3 | Very low | 31 Ų | 31 | 87 Ų | 87 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -30.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G957 R964 | G957-G960 CarbonylContact O-C 3.46Å; G957-G960 WeakPolarHBondContact O-CA 3.33Å; G957-G960 PolarHBondContact O-N 3.48Å; G960-R964 WeakPolarHBondContact O-CB 3.49Å; G960-R964 WeakPolarHBondContact O-CG 3.48Å; G960-R964 PolarHBondContact O-N 2.96Å; G960-R964 PolarHBondContact O-NE 2.93Å |
| 961 | E | 47.4 | Very low | 48.5 | Very low | 112 Ų | 112 | 90.6 Ų | 90.6 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.1 | -36.1 | 174 | -73.3 | -167.8 | 162 | 0 | 0 | 112.5 | G957 A958 A963 R964 A965 | G957-E961 PolarHBondContact O-N 3.26Å; A958-E961 PolarHBondContact O-N 3.24Å; E961-A963 VanDerWaalsContact C-N 3.35Å; E961-R964 PolarHBondContact O-N 3.17Å; E961-R964 IonicContact OE1-NH1 3.74Å; E961-R964 IonicContact OE1-NH2 2.9Å; E961-A965 VanDerWaalsContact O-CB 3.26Å; E961-A965 WeakPolarHBondContact O-CB 3.43Å; E961-A965 PolarHBondContact O-N 2.92Å |
| 962 | L | 47.8 | Very low | 49.3 | Very low | 128 Ų | 128 | 94.2 Ų | 94.2 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 170.8 | -166.9 | 71.2 | 0 | 0 | 0 | 111.5 | A958 A965 R966 | A958-L962 VanDerWaalsContact O-CB 3.3Å; A958-L962 WeakPolarHBondContact O-CB 3.49Å; A958-L962 PolarHBondContact O-N 3.45Å; L962-A965 PolarHBondContact O-N 2.76Å; L962-R966 WeakPolarHBondContact O-CB 3.42Å; L962-R966 PolarHBondContact O-N 2.91Å |
| 963 | A | 48.2 | Very low | 50.7 | Low | 50 Ų | 50 | 88.2 Ų | 88.2 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V959 E961 R966 I967 | V959-A963 WeakPolarHBondContact O-CB 3.5Å; V959-A963 PolarHBondContact O-N 3.04Å; E961-A963 VanDerWaalsContact C-N 3.35Å; A963-R966 WeakPolarHBondContact O-CB 3.22Å; A963-R966 PolarHBondContact O-N 3.24Å; A963-I967 WeakPolarHBondContact O-CG1 3.44Å; A963-I967 PolarHBondContact O-N 2.84Å |
| 964 | R | 50.8 | Low | 51.9 | Low | 152 Ų | 152 | 90.2 Ų | 90.2 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 173.8 | -82.4 | -176.2 | -84.6 | 140 | -7 | 112.4 | G960 E961 R966 I967 A968 | G960-R964 WeakPolarHBondContact O-CB 3.49Å; G960-R964 WeakPolarHBondContact O-CG 3.48Å; G960-R964 PolarHBondContact O-N 2.96Å; G960-R964 PolarHBondContact O-NE 2.93Å; E961-R964 PolarHBondContact O-N 3.17Å; E961-R964 IonicContact OE1-NH1 3.74Å; E961-R964 IonicContact OE1-NH2 2.9Å; R964-R966 VanDerWaalsContact C-N 3.31Å; R964-R966 PolarHBondContact O-N 3.06Å; R964-I967 PolarHBondContact O-N 2.76Å; R964-A968 WeakPolarHBondContact O-CB 3.34Å; R964-A968 PolarHBondContact O-N 3.16Å |
| 965 | A | 50.7 | Low | 53.2 | Low | 57 Ų | 57 | 97.4 Ų | 97.4 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E961 L962 A968 L969 | E961-A965 VanDerWaalsContact O-CB 3.26Å; E961-A965 WeakPolarHBondContact O-CB 3.43Å; E961-A965 PolarHBondContact O-N 2.92Å; L962-A965 PolarHBondContact O-N 2.76Å; A965-A968 PolarHBondContact O-N 2.89Å; A965-L969 VanDerWaalsContact O-CB 3.32Å; A965-L969 WeakPolarHBondContact O-CB 3.4Å; A965-L969 PolarHBondContact O-N 3.49Å |
| 966 | R | 56.5 | Low | 54 | Low | 164 Ų | 164 | 98 Ų | 98 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 173 | -177 | 61.2 | 176.7 | -109 | 0.3 | 112.1 | L962 A963 R964 L969 D970 | L962-R966 WeakPolarHBondContact O-CB 3.42Å; L962-R966 PolarHBondContact O-N 2.91Å; A963-R966 WeakPolarHBondContact O-CB 3.22Å; A963-R966 PolarHBondContact O-N 3.24Å; R964-R966 VanDerWaalsContact C-N 3.31Å; R964-R966 PolarHBondContact O-N 3.06Å; R966-L969 WeakPolarHBondContact O-CB 3.35Å; R966-L969 PolarHBondContact O-N 3.29Å; R966-D970 PolarHBondContact O-N 3Å |
| 967 | I | 61.2 | Low | 55.3 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.3 | -67.2 | 164.7 | 0 | 0 | 0 | 110.7 | A963 R964 L969 D970 E971 | A963-I967 WeakPolarHBondContact O-CG1 3.44Å; A963-I967 PolarHBondContact O-N 2.84Å; R964-I967 PolarHBondContact O-N 2.76Å; I967-L969 VanDerWaalsContact C-N 3.29Å; I967-L969 PolarHBondContact O-N 3.09Å; I967-D970 PolarHBondContact O-N 3.36Å; I967-E971 PolarHBondContact O-N 2.75Å |
| 968 | A | 56.7 | Low | 56.8 | Low | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R964 A965 R972 | R964-A968 WeakPolarHBondContact O-CB 3.34Å; R964-A968 PolarHBondContact O-N 3.16Å; A965-A968 PolarHBondContact O-N 2.89Å; A968-R972 WeakPolarHBondContact O-CB 3.37Å; A968-R972 PolarHBondContact O-N 3.01Å |
| 969 | L | 54.5 | Low | 57.6 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.4 | -40.7 | 173.4 | -167.4 | 75.3 | 0 | 0 | 0 | 111.3 | A965 R966 I967 R972 G973 | A965-L969 VanDerWaalsContact O-CB 3.32Å; A965-L969 WeakPolarHBondContact O-CB 3.4Å; A965-L969 PolarHBondContact O-N 3.49Å; R966-L969 WeakPolarHBondContact O-CB 3.35Å; R966-L969 PolarHBondContact O-N 3.29Å; I967-L969 VanDerWaalsContact C-N 3.29Å; I967-L969 PolarHBondContact O-N 3.09Å; L969-R972 PolarHBondContact O-N 2.78Å; L969-G973 PolarHBondContact O-N 3.48Å |
| 970 | D | 59.2 | Low | 58.5 | Low | 97 Ų | 97 | 103.5 Ų | 103.5 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 176 | -77.8 | -11.6 | 0 | 0 | 0 | 111.6 | R966 I967 R972 G973 Q974 | R966-D970 PolarHBondContact O-N 3Å; I967-D970 PolarHBondContact O-N 3.36Å; D970-R972 VanDerWaalsContact C-N 3.35Å; D970-R972 PolarHBondContact O-N 3.07Å; D970-G973 WeakPolarHBondContact O-CA 3.37Å; D970-G973 PolarHBondContact O-N 3.37Å; D970-G973 VanDerWaalsContact O-N 3.16Å; D970-Q974 PolarHBondContact O-N 2.85Å |
| 971 | E | 65.8 | Low | 59.9 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.2 | -76.4 | -172.5 | 169 | 0 | 0 | 112 | I967 G973 Q974 R975 | I967-E971 PolarHBondContact O-N 2.75Å; E971-G973 VanDerWaalsContact C-N 3.3Å; E971-G973 PolarHBondContact O-N 2.93Å; E971-Q974 PolarHBondContact O-N 2.93Å; E971-R975 WeakPolarHBondContact O-CG 3.44Å; E971-R975 PolarHBondContact O-N 3.43Å |
| 972 | R | 59.2 | Low | 61 | Low | 173 Ų | 173 | 111.3 Ų | 111.3 | 65% | 0.653 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 174.1 | -173.2 | 177.4 | -176.5 | -171.7 | 2.5 | 111 | A968 L969 D970 R975 L976 | A968-R972 WeakPolarHBondContact O-CB 3.37Å; A968-R972 PolarHBondContact O-N 3.01Å; L969-R972 PolarHBondContact O-N 2.78Å; D970-R972 VanDerWaalsContact C-N 3.35Å; D970-R972 PolarHBondContact O-N 3.07Å; R972-R975 PolarHBondContact O-N 2.82Å; R972-L976 HydrophobicContact CG-CD1 4.01Å; R972-L976 WeakPolarHBondContact O-CB 3.5Å; R972-L976 PolarHBondContact O-N 3.17Å |
| 973 | G | 69.6 | Low | 62 | Low | 44 Ų | 44 | 108.1 Ų | 108.1 | 45% | 0.454 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L969 D970 E971 L976 G977 | L969-G973 PolarHBondContact O-N 3.48Å; D970-G973 WeakPolarHBondContact O-CA 3.37Å; D970-G973 PolarHBondContact O-N 3.37Å; D970-G973 VanDerWaalsContact O-N 3.16Å; E971-G973 VanDerWaalsContact C-N 3.3Å; E971-G973 PolarHBondContact O-N 2.93Å; G973-L976 PolarHBondContact O-N 2.81Å; G973-G977 PolarHBondContact O-N 2.79Å |
| 974 | Q | 66.1 | Low | 63 | Low | 141 Ų | 141 | 108.2 Ų | 108.2 | 66% | 0.659 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 174.2 | -87.6 | -175.9 | -10.7 | 0 | 0 | 112.2 | D970 E971 L976 G977 E978 | D970-Q974 PolarHBondContact O-N 2.85Å; E971-Q974 PolarHBondContact O-N 2.93Å; Q974-L976 VanDerWaalsContact C-N 3.3Å; Q974-L976 PolarHBondContact O-N 3.42Å; Q974-G977 WeakPolarHBondContact O-CA 3.17Å; Q974-G977 PolarHBondContact O-N 3.36Å; Q974-E978 PolarHBondContact O-N 2.81Å |
| 975 | R | 65.8 | Low | 64.1 | Low | 176 Ų | 176 | 106 Ų | 106 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -32.5 | 178.2 | -72.3 | -168.9 | -178 | 169.1 | 6.4 | 113.3 | E971 R972 G977 E978 L979 | E971-R975 WeakPolarHBondContact O-CG 3.44Å; E971-R975 PolarHBondContact O-N 3.43Å; R972-R975 PolarHBondContact O-N 2.82Å; R975-G977 VanDerWaalsContact C-N 3.34Å; R975-E978 PolarHBondContact O-N 3.15Å; R975-L979 WeakPolarHBondContact O-CB 3.48Å; R975-L979 PolarHBondContact O-N 2.87Å |
| 976 | L | 57 | Low | 65 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 171.6 | -107.7 | 122.9 | 0 | 0 | 0 | 111.4 | R972 G973 Q974 L979 E980 | R972-L976 HydrophobicContact CG-CD1 4.01Å; R972-L976 WeakPolarHBondContact O-CB 3.5Å; R972-L976 PolarHBondContact O-N 3.17Å; G973-L976 PolarHBondContact O-N 2.81Å; Q974-L976 VanDerWaalsContact C-N 3.3Å; Q974-L976 PolarHBondContact O-N 3.42Å; L976-L979 PolarHBondContact O-N 3.28Å; L976-E980 WeakPolarHBondContact O-CB 3.43Å; L976-E980 PolarHBondContact O-N 3.1Å |
| 977 | G | 70.3 | Confident | 65.5 | Low | 36 Ų | 36 | 108 Ų | 108 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G973 Q974 R975 L979 E980 E981 | G973-G977 PolarHBondContact O-N 2.79Å; Q974-G977 WeakPolarHBondContact O-CA 3.17Å; Q974-G977 PolarHBondContact O-N 3.36Å; R975-G977 VanDerWaalsContact C-N 3.34Å; G977-L979 VanDerWaalsContact C-N 3.3Å; G977-L979 PolarHBondContact O-N 3.31Å; G977-E980 PolarHBondContact O-N 3.04Å; G977-E981 PolarHBondContact O-N 2.85Å |
| 978 | E | 72 | Confident | 66.3 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 175.3 | -69.1 | 179 | -177.1 | 0 | 0 | 112.5 | Q974 R975 E981 R982 | Q974-E978 PolarHBondContact O-N 2.81Å; R975-E978 PolarHBondContact O-N 3.15Å; E978-E981 PolarHBondContact O-N 2.92Å; E978-R982 WeakPolarHBondContact O-CB 3.41Å; E978-R982 WeakPolarHBondContact O-CG 3.45Å; E978-R982 PolarHBondContact O-N 2.86Å |
| 979 | L | 61.2 | Low | 67.3 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 176.2 | -176.1 | 64.6 | 0 | 0 | 0 | 111.7 | R975 L976 G977 E981 R982 T983 | R975-L979 WeakPolarHBondContact O-CB 3.48Å; R975-L979 PolarHBondContact O-N 2.87Å; L976-L979 PolarHBondContact O-N 3.28Å; G977-L979 VanDerWaalsContact C-N 3.3Å; G977-L979 PolarHBondContact O-N 3.31Å; L979-E981 VanDerWaalsContact C-N 3.34Å; L979-R982 PolarHBondContact O-N 3.34Å; L979-T983 VanDerWaalsContact O-CB 3.29Å; L979-T983 WeakPolarHBondContact O-CB 3.44Å; L979-T983 PolarHBondContact O-N 2.78Å; L979-T983 PolarHBondContact O-OG1 2.93Å |
| 980 | E | 64.7 | Low | 68.1 | Low | 149 Ų | 149 | 105.8 Ų | 105.8 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 174.3 | -170.4 | 171.6 | -171.5 | 0 | 0 | 110.6 | L976 G977 T983 A984 | L976-E980 WeakPolarHBondContact O-CB 3.43Å; L976-E980 PolarHBondContact O-N 3.1Å; G977-E980 PolarHBondContact O-N 3.04Å; E980-T983 PolarHBondContact O-N 2.86Å; E980-A984 WeakPolarHBondContact O-CB 3.26Å; E980-A984 PolarHBondContact O-N 3.42Å |
| 981 | E | 72.7 | Confident | 68.7 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -45.7 | 175.1 | -167.6 | 175.6 | -167.7 | 0 | 0 | 112.2 | G977 E978 L979 T983 A984 L985 | G977-E981 PolarHBondContact O-N 2.85Å; E978-E981 PolarHBondContact O-N 2.92Å; L979-E981 VanDerWaalsContact C-N 3.34Å; E981-T983 VanDerWaalsContact C-N 3.3Å; E981-T983 PolarHBondContact O-N 3.42Å; E981-A984 PolarHBondContact O-N 3.23Å; E981-L985 WeakPolarHBondContact O-CG 3.41Å; E981-L985 PolarHBondContact O-N 2.77Å |
| 982 | R | 71.5 | Confident | 69.2 | Low | 174 Ų | 174 | 105.7 Ų | 105.7 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -37.5 | 173.6 | -79.5 | -176.5 | 179.4 | 152.7 | 4.6 | 112.6 | E978 L979 L985 M986 | E978-R982 WeakPolarHBondContact O-CB 3.41Å; E978-R982 WeakPolarHBondContact O-CG 3.45Å; E978-R982 PolarHBondContact O-N 2.86Å; L979-R982 PolarHBondContact O-N 3.34Å; R982-L985 PolarHBondContact O-N 3.34Å; R982-M986 WeakPolarHBondContact O-CB 3.32Å; R982-M986 PolarHBondContact O-N 2.85Å |
| 983 | T | 68.2 | Low | 70.1 | Confident | 62 Ų | 62 | 105 Ų | 105 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | L979 E980 E981 M986 M987 | L979-T983 VanDerWaalsContact O-CB 3.29Å; L979-T983 WeakPolarHBondContact O-CB 3.44Å; L979-T983 PolarHBondContact O-N 2.78Å; L979-T983 PolarHBondContact O-OG1 2.93Å; E980-T983 PolarHBondContact O-N 2.86Å; E981-T983 VanDerWaalsContact C-N 3.3Å; E981-T983 PolarHBondContact O-N 3.42Å; T983-M986 PolarHBondContact O-N 2.83Å; T983-M987 PolarHBondContact O-N 2.66Å |
| 984 | A | 69.4 | Low | 70.1 | Confident | 52 Ų | 52 | 106.5 Ų | 106.5 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E980 E981 M986 M987 T988 | E980-A984 WeakPolarHBondContact O-CB 3.26Å; E980-A984 PolarHBondContact O-N 3.42Å; E981-A984 PolarHBondContact O-N 3.23Å; A984-M986 VanDerWaalsContact C-N 3.34Å; A984-M986 PolarHBondContact O-N 2.81Å; A984-M987 PolarHBondContact O-N 3.34Å; A984-T988 WeakPolarHBondContact O-CB 3.42Å; A984-T988 PolarHBondContact O-N 3.43Å; A984-T988 PolarHBondContact O-OG1 2.83Å |
| 985 | L | 73.9 | Confident | 70.5 | Confident | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 173.1 | -74.3 | 169.2 | 0 | 0 | 0 | 112 | E981 R982 T988 S989 | E981-L985 WeakPolarHBondContact O-CG 3.41Å; E981-L985 PolarHBondContact O-N 2.77Å; R982-L985 PolarHBondContact O-N 3.34Å; L985-T988 PolarHBondContact O-N 3.24Å; L985-S989 WeakPolarHBondContact O-CB 3.32Å; L985-S989 PolarHBondContact O-N 3.25Å; L985-S989 PolarHBondContact O-OG 3.26Å |
| 986 | M | 70.2 | Confident | 71 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 177.2 | -165.5 | 177.1 | 77.2 | 0 | 0 | 111.9 | R982 T983 A984 T988 S989 A990 | R982-M986 WeakPolarHBondContact O-CB 3.32Å; R982-M986 PolarHBondContact O-N 2.85Å; T983-M986 PolarHBondContact O-N 2.83Å; A984-M986 VanDerWaalsContact C-N 3.34Å; A984-M986 PolarHBondContact O-N 2.81Å; M986-T988 VanDerWaalsContact C-N 3.33Å; M986-T988 PolarHBondContact O-N 2.94Å; M986-S989 PolarHBondContact O-N 3.34Å; M986-A990 WeakPolarHBondContact O-CB 3.38Å; M986-A990 PolarHBondContact O-N 2.89Å |
| 987 | M | 66.4 | Low | 71.6 | Confident | 130 Ų | 130 | 101.6 Ų | 101.6 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 172.7 | -85.5 | -166.7 | 173.1 | 0 | 0 | 111.5 | T983 A984 S989 A990 E991 | T983-M987 PolarHBondContact O-N 2.66Å; A984-M987 PolarHBondContact O-N 3.34Å; M987-S989 VanDerWaalsContact C-N 3.32Å; M987-S989 PolarHBondContact O-N 3.43Å; M987-A990 PolarHBondContact O-N 3.01Å; M987-E991 PolarHBondContact O-N 3.18Å |
| 988 | T | 78.4 | Confident | 71.8 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | A984 L985 M986 A990 E991 T992 | A984-T988 WeakPolarHBondContact O-CB 3.42Å; A984-T988 PolarHBondContact O-N 3.43Å; A984-T988 PolarHBondContact O-OG1 2.83Å; L985-T988 PolarHBondContact O-N 3.24Å; M986-T988 VanDerWaalsContact C-N 3.33Å; M986-T988 PolarHBondContact O-N 2.94Å; T988-A990 PolarHBondContact O-N 3.13Å; T988-E991 PolarHBondContact O-N 2.91Å; T988-T992 WeakPolarHBondContact O-CB 3.25Å; T988-T992 PolarHBondContact O-N 2.98Å; T988-T992 PolarHBondContact O-OG1 2.95Å |
| 989 | S | 78.3 | Confident | 71.9 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.4 | -59 | 0 | 0 | 0 | 0 | 111.9 | L985 M986 M987 T992 F993 | L985-S989 WeakPolarHBondContact O-CB 3.32Å; L985-S989 PolarHBondContact O-N 3.25Å; L985-S989 PolarHBondContact O-OG 3.26Å; M986-S989 PolarHBondContact O-N 3.34Å; M987-S989 VanDerWaalsContact C-N 3.32Å; M987-S989 PolarHBondContact O-N 3.43Å; S989-T992 PolarHBondContact O-N 3.45Å; S989-F993 WeakPolarHBondContact O-CB 3.48Å; S989-F993 PolarHBondContact O-N 3.04Å |
| 990 | A | 70.8 | Confident | 72.5 | Confident | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M986 M987 T988 T992 F993 S994 | M986-A990 WeakPolarHBondContact O-CB 3.38Å; M986-A990 PolarHBondContact O-N 2.89Å; M987-A990 PolarHBondContact O-N 3.01Å; T988-A990 PolarHBondContact O-N 3.13Å; A990-T992 VanDerWaalsContact C-N 3.31Å; A990-T992 PolarHBondContact O-N 2.82Å; A990-F993 PolarHBondContact O-N 3.37Å; A990-S994 WeakPolarHBondContact O-CB 3.36Å; A990-S994 PolarHBondContact O-N 3.31Å |
| 991 | E | 71.8 | Confident | 73.1 | Confident | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 172.6 | -77.3 | -171.8 | 172.4 | 0 | 0 | 111.6 | M987 T988 S994 K995 | M987-E991 PolarHBondContact O-N 3.18Å; T988-E991 PolarHBondContact O-N 2.91Å; E991-S994 PolarHBondContact O-N 3.1Å; E991-K995 PolarHBondContact O-N 2.82Å |
| 992 | T | 75.9 | Confident | 73 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 177.6 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | T988 S989 A990 K995 H996 | T988-T992 WeakPolarHBondContact O-CB 3.25Å; T988-T992 PolarHBondContact O-N 2.98Å; T988-T992 PolarHBondContact O-OG1 2.95Å; S989-T992 PolarHBondContact O-N 3.45Å; A990-T992 VanDerWaalsContact C-N 3.31Å; A990-T992 PolarHBondContact O-N 2.82Å; T992-K995 PolarHBondContact O-N 2.76Å; T992-H996 PolarHBondContact O-N 3.19Å; T992-H996 PolarHBondContact O-ND1 3.12Å |
| 993 | F | 78.1 | Confident | 72.8 | Confident | 157 Ų | 157 | 99.4 Ų | 99.4 | 69% | 0.689 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 173.8 | 179.8 | -97.4 | 0 | 0 | 0 | 111.7 | S989 A990 K995 H996 A997 | S989-F993 WeakPolarHBondContact O-CB 3.48Å; S989-F993 PolarHBondContact O-N 3.04Å; A990-F993 PolarHBondContact O-N 3.37Å; F993-K995 VanDerWaalsContact C-N 3.33Å; F993-K995 PolarHBondContact O-N 2.96Å; F993-H996 PolarHBondContact O-N 3.17Å; F993-A997 WeakPolarHBondContact O-CB 3.29Å; F993-A997 PolarHBondContact O-N 3.01Å |
| 994 | S | 69.3 | Low | 72.7 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 53% | 0.531 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | A990 E991 A997 H998 | A990-S994 WeakPolarHBondContact O-CB 3.36Å; A990-S994 PolarHBondContact O-N 3.31Å; E991-S994 PolarHBondContact O-N 3.1Å; S994-A997 PolarHBondContact O-N 3.47Å; S994-H998 WeakPolarHBondContact O-CB 3.19Å; S994-H998 PolarHBondContact O-N 3.46Å |
| 995 | K | 74.4 | Confident | 72.2 | Confident | 151 Ų | 151 | 104.1 Ų | 104.1 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 173.5 | -84.7 | -177.6 | 176.3 | 174.7 | 0 | 112.7 | E991 T992 F993 A997 H998 E999 | E991-K995 PolarHBondContact O-N 2.82Å; T992-K995 PolarHBondContact O-N 2.76Å; F993-K995 VanDerWaalsContact C-N 3.33Å; F993-K995 PolarHBondContact O-N 2.96Å; K995-A997 VanDerWaalsContact C-N 3.34Å; K995-A997 PolarHBondContact O-N 3.43Å; K995-H998 PolarHBondContact O-N 3.33Å; K995-E999 PolarHBondContact O-N 3.08Å |
| 996 | H | 76.6 | Confident | 71.3 | Confident | 117 Ų | 117 | 106.1 Ų | 106.1 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.8 | -77.6 | 89.7 | 0 | 0 | 0 | 112 | T992 F993 H998 E999 M1000 | T992-H996 PolarHBondContact O-N 3.19Å; T992-H996 PolarHBondContact O-ND1 3.12Å; F993-H996 PolarHBondContact O-N 3.17Å; H996-H998 VanDerWaalsContact C-N 3.32Å; H996-H998 PolarHBondContact O-N 3.23Å; H996-E999 PolarHBondContact O-N 3.21Å; H996-M1000 VanDerWaalsContact O-CB 3.27Å; H996-M1000 WeakPolarHBondContact O-CB 3.46Å; H996-M1000 PolarHBondContact O-N 3.39Å |
| 997 | A | 70.6 | Confident | 70.8 | Confident | 37 Ų | 37 | 106.7 Ų | 106.7 | 31% | 0.306 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F993 S994 K995 M1001 | F993-A997 WeakPolarHBondContact O-CB 3.29Å; F993-A997 PolarHBondContact O-N 3.01Å; S994-A997 PolarHBondContact O-N 3.47Å; K995-A997 VanDerWaalsContact C-N 3.34Å; K995-A997 PolarHBondContact O-N 3.43Å; A997-M1001 WeakPolarHBondContact O-CB 3.4Å; A997-M1001 PolarHBondContact O-N 3.46Å |
| 998 | H | 73.9 | Confident | 70 | Confident | 105 Ų | 105 | 109.4 Ų | 109.4 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -42.5 | 177 | -165.3 | 75.7 | 0 | 0 | 0 | 112.5 | S994 K995 H996 M1001 L1002 | S994-H998 WeakPolarHBondContact O-CB 3.19Å; S994-H998 PolarHBondContact O-N 3.46Å; K995-H998 PolarHBondContact O-N 3.33Å; H996-H998 VanDerWaalsContact C-N 3.32Å; H996-H998 PolarHBondContact O-N 3.23Å; H998-M1001 WeakPolarHBondContact CE1-CE 3.49Å; H998-M1001 VanDerWaalsContact ND1-CE 3.29Å; H998-M1001 WeakPolarHBondContact ND1-CE 3.45Å; H998-M1001 PolarHBondContact O-N 2.7Å; H998-L1002 WeakPolarHBondContact O-CG 3.38Å; H998-L1002 PolarHBondContact O-N 2.89Å |
| 999 | E | 74.6 | Confident | 68.9 | Low | 111 Ų | 111 | 115.3 Ų | 115.3 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -39.9 | 173.8 | -80.3 | -175.6 | 175.8 | 0 | 0 | 112.4 | K995 H996 L1002 K1003 | K995-E999 PolarHBondContact O-N 3.08Å; H996-E999 PolarHBondContact O-N 3.21Å; E999-L1002 PolarHBondContact O-N 2.86Å; E999-K1003 WeakPolarHBondContact O-CB 3.32Å; E999-K1003 WeakPolarHBondContact O-CG 3.23Å; E999-K1003 PolarHBondContact O-N 3.14Å |
| 1000 | M | 72.7 | Confident | 67.9 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.1 | -42 | 174.3 | -179.6 | 171 | 45.4 | 0 | 0 | 111.2 | H996 L1002 K1003 C1004 | H996-M1000 VanDerWaalsContact O-CB 3.27Å; H996-M1000 WeakPolarHBondContact O-CB 3.46Å; H996-M1000 PolarHBondContact O-N 3.39Å; M1000-L1002 PolarHBondContact O-N 3.05Å; M1000-K1003 PolarHBondContact O-N 3.31Å; M1000-C1004 WeakPolarHBondContact O-CB 3.2Å; M1000-C1004 PolarHBondContact O-N 2.83Å; M1000-C1004 PolarHBondContact O-SG 2.71Å; M1000-C1004 VanDerWaalsContact O-SG 3.34Å |
| 1001 | M | 76.8 | Confident | 66.6 | Low | 88 Ų | 88 | 127.2 Ų | 127.2 | 43% | 0.433 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61 | -43 | 173.9 | 178.6 | -85.6 | -65.1 | 0 | 0 | 111.6 | A997 H998 C1004 K1005 | A997-M1001 WeakPolarHBondContact O-CB 3.4Å; A997-M1001 PolarHBondContact O-N 3.46Å; H998-M1001 WeakPolarHBondContact CE1-CE 3.49Å; H998-M1001 VanDerWaalsContact ND1-CE 3.29Å; H998-M1001 WeakPolarHBondContact ND1-CE 3.45Å; H998-M1001 PolarHBondContact O-N 2.7Å; M1001-C1004 CarbonylContact O-C 3.57Å; M1001-C1004 PolarHBondContact O-N 3.13Å; M1001-K1005 WeakPolarHBondContact O-CB 3.12Å; M1001-K1005 PolarHBondContact O-N 3.39Å |
| 1002 | L | 70.5 | Confident | 65.5 | Low | 75 Ų | 75 | 133.9 Ų | 133.9 | 39% | 0.393 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 175.5 | -71.8 | 167.7 | 0 | 0 | 0 | 112.3 | H998 E999 M1000 C1004 K1005 | H998-L1002 WeakPolarHBondContact O-CG 3.38Å; H998-L1002 PolarHBondContact O-N 2.89Å; E999-L1002 PolarHBondContact O-N 2.86Å; M1000-L1002 PolarHBondContact O-N 3.05Å; L1002-C1004 VanDerWaalsContact C-N 3.27Å; L1002-C1004 PolarHBondContact O-N 3.45Å; L1002-K1005 HydrophobicContact CD2-CD 4.41Å; L1002-K1005 WeakPolarHBondContact O-CB 3.4Å; L1002-K1005 PolarHBondContact O-N 2.91Å; L1002-K1005 VanDerWaalsContact O-N 3.08Å |
| 1003 | K | 68.9 | Low | 65 | Low | 155 Ų | 155 | 137.3 Ų | 137.3 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.1 | -31.4 | 172.4 | -77.7 | 178.1 | 178.9 | 173.1 | 0 | 113 | E999 M1000 | E999-K1003 WeakPolarHBondContact O-CB 3.32Å; E999-K1003 WeakPolarHBondContact O-CG 3.23Å; E999-K1003 PolarHBondContact O-N 3.14Å; M1000-K1003 PolarHBondContact O-N 3.31Å |
| 1004 | C | 64.8 | Low | 64.3 | Low | 61 Ų | 61 | 136.3 Ų | 136.3 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -78.7 | -21.7 | 173.6 | -72.4 | 0 | 0 | 0 | 0 | 112.9 | M1000 M1001 L1002 | M1000-C1004 WeakPolarHBondContact O-CB 3.2Å; M1000-C1004 PolarHBondContact O-N 2.83Å; M1000-C1004 PolarHBondContact O-SG 2.71Å; M1000-C1004 VanDerWaalsContact O-SG 3.34Å; M1001-C1004 CarbonylContact O-C 3.57Å; M1001-C1004 PolarHBondContact O-N 3.13Å; L1002-C1004 VanDerWaalsContact C-N 3.27Å; L1002-C1004 PolarHBondContact O-N 3.45Å |
| 1005 | K | 58.9 | Low | 64 | Low | 151 Ų | 151 | 139.6 Ų | 139.6 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.2 | -31.2 | -177.7 | -167 | 179.1 | 177.5 | -176.6 | 0 | 113.2 | M1001 L1002 | M1001-K1005 WeakPolarHBondContact O-CB 3.12Å; M1001-K1005 PolarHBondContact O-N 3.39Å; L1002-K1005 HydrophobicContact CD2-CD 4.41Å; L1002-K1005 WeakPolarHBondContact O-CB 3.4Å; L1002-K1005 PolarHBondContact O-N 2.91Å; L1002-K1005 VanDerWaalsContact O-N 3.08Å |
| 1006 | D | 55.5 | Low | 63.4 | Low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -95.9 | 0.4 | 178.5 | -67.9 | -31.2 | 0 | 0 | 0 | 113.8 | K1008 | D1006-K1008 PolarHBondContact O-N 2.74Å; D1006-K1008 VanDerWaalsContact O-N 3.14Å |
| 1007 | K | 58.9 | Low | 62.6 | Low | 146 Ų | 146 | 140.3 Ų | 140.3 | 64% | 0.635 | 65% | 0.645 | S | S | * | * | trans | -78.6 | 94.8 | 165.9 | -74.9 | -171.8 | 178 | -173.8 | 0 | 108.8 | W1009 | K1007-W1009 PolarHBondContact O-N 3.08Å; K1007-W1009 PolarHBondContact O-NE1 3.28Å | ||
| 1008 | K | 50.3 | Low | 62.1 | Low | 188 Ų | 188 | 147.2 Ų | 147.2 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | trans | -57.8 | 111.1 | 162.1 | -72.1 | -177.9 | 179 | 178.1 | 0 | 107.8 | D1006 Y1010 | D1006-K1008 PolarHBondContact O-N 2.74Å; D1006-K1008 VanDerWaalsContact O-N 3.14Å; K1008-Y1010 PolarHBondContact O-N 3.5Å | ||
| 1009 | W | 55.6 | Low | 61.2 | Low | 204 Ų | 204 | 150.2 Ų | 150.2 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -70.1 | 25.3 | 177 | -51.5 | -58.3 | 0 | 0 | 0 | 114 | K1007 | K1007-W1009 PolarHBondContact O-N 3.08Å; K1007-W1009 PolarHBondContact O-NE1 3.28Å |
| 1010 | Y | 57.2 | Low | 60.2 | Low | 206 Ų | 206 | 153.2 Ų | 153.2 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | trans | -146.1 | 77.3 | 175.8 | -60.9 | -77.4 | 0 | 0 | 0 | 109.4 | K1008 | K1008-Y1010 PolarHBondContact O-N 3.5Š| ||
| 1011 | Q | 43.8 | Very low | 59.1 | Low | 176 Ų | 176 | 156.2 Ų | 156.2 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -162.4 | 95.5 | 144 | -107.2 | 174.5 | 9.6 | 0 | 0 | 108.5 | ||||
| 1012 | F | 48.5 | Very low | 57.5 | Low | 278 Ų | 278 | 162.4 Ų | 162.4 | 100% | 1.219 | 73% | 0.726 | S | S | * | * | trans | 66 | 0 | 175.4 | -60 | -76.6 | 0 | 0 | 0 | 118.6 |
Retrieved 1,012 of 1,012 residues in 959.2 ms
(Link to these results)