| 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 | 44.5 | Very low | 57.8 | Low | 200 Ų | 200 | 106.4 Ų | 106.4 | 99% | 0.985 | 54% | 0.541 | S | S | * | . | 0 | -51.3 | 0 | -80.4 | -175 | 175.1 | 0 | 0 | 112.6 | G3 R4 L5 | M1-G3 PolarHBondContact O-N 3.29Å; M1-R4 PolarHBondContact O-N 3.42Å; M1-L5 PolarHBondContact O-N 3.21Å | |||
| 2 | Q | 43.4 | Very low | 59.3 | Low | 166 Ų | 166 | 100.8 Ų | 100.8 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.3 | -42.6 | 179.5 | -82.8 | 178.1 | -21.8 | 0 | 0 | 114.3 | R4 L5 N6 | Q2-R4 PolarHBondContact O-N 2.8Å; Q2-L5 PolarHBondContact O-N 2.86Å; Q2-N6 PolarHBondContact O-N 3.02Å |
| 3 | G | 50.2 | Low | 60.9 | Low | 59 Ų | 59 | 106.6 Ų | 106.6 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -21.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 | M1-G3 PolarHBondContact O-N 3.29Å |
| 4 | R | 52 | Low | 62.4 | Low | 181 Ų | 181 | 104.2 Ų | 104.2 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88.1 | -37 | 177.1 | -73.8 | -172.6 | -176.3 | -173.3 | -1.4 | 112.5 | M1 Q2 N6 C7 E8 E49 | M1-R4 PolarHBondContact O-N 3.42Å; Q2-R4 PolarHBondContact O-N 2.8Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3Å; R4-C7 PolarHBondContact O-N 2.75Å; R4-E8 PolarHBondContact O-N 2.89Å; R4-E8 VanDerWaalsContact O-N 3.14Å; R4-E49 IonicContact NH1-OE1 3.93Å |
| 5 | L | 51.8 | Low | 64 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 173.9 | -79.5 | 159.7 | 0 | 0 | 0 | 111.1 | M1 Q2 E8 E9 | M1-L5 PolarHBondContact O-N 3.21Å; Q2-L5 PolarHBondContact O-N 2.86Å; L5-E8 PolarHBondContact O-N 2.95Å; L5-E9 PolarHBondContact O-N 2.88Å; L5-E9 VanDerWaalsContact O-N 3.08Å |
| 6 | N | 58 | Low | 65.3 | Low | 99 Ų | 99 | 98.3 Ų | 98.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.9 | -77.8 | 7.8 | 0 | 0 | 0 | 112.6 | Q2 R4 E10 | Q2-N6 PolarHBondContact O-N 3.02Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3Å; N6-E10 WeakPolarHBondContact O-CB 3.27Å; N6-E10 WeakPolarHBondContact O-CG 3.29Å; N6-E10 PolarHBondContact O-N 3.06Å |
| 7 | C | 59.6 | Low | 66.4 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.6 | -75.7 | 0 | 0 | 0 | 0 | 112.8 | R4 E9 E10 E11 | R4-C7 PolarHBondContact O-N 2.75Å; C7-E9 PolarHBondContact O-N 3.41Å; C7-E10 PolarHBondContact O-N 2.92Å; C7-E11 WeakPolarHBondContact O-CG 3.45Å; C7-E11 PolarHBondContact O-N 2.89Å |
| 8 | E | 64.7 | Low | 67.4 | Low | 31 Ų | 31 | 94.6 Ų | 94.6 | 15% | 0.145 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -71.4 | -29 | -178.7 | -68.8 | -167.5 | 168.5 | 0 | 0 | 113.4 | R4 L5 S12 S69 R73 | R4-E8 PolarHBondContact O-N 2.89Å; R4-E8 VanDerWaalsContact O-N 3.14Å; L5-E8 PolarHBondContact O-N 2.95Å; E8-S12 PolarHBondContact O-N 3.26Å; E8-S12 PolarHBondContact O-OG 3.45Å; E8-S69 PolarHBondContact OE1-N 3.07Å; E8-S69 VanDerWaalsContact OE1-N 3.15Å; E8-S69 PolarHBondContact OE1-OG 3.31Å; E8-S69 PolarHBondContact OE2-OG 2.94Å; E8-R73 IonicContact OE2-CZ 2.79Å; E8-R73 IonicContact OE2-NH1 3.9Å; E8-R73 PolarHBondContact OE2-NH1 3.16Å |
| 9 | E | 66.8 | Low | 68.2 | Low | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.7 | -36.7 | 173.2 | -77.1 | -174.7 | 176.8 | 0 | 0 | 112.4 | L5 C7 E11 S12 R13 | L5-E9 PolarHBondContact O-N 2.88Å; L5-E9 VanDerWaalsContact O-N 3.08Å; C7-E9 PolarHBondContact O-N 3.41Å; E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 3.43Å; E9-S12 PolarHBondContact O-N 3.29Å; E9-R13 PolarHBondContact O-N 3.17Å |
| 10 | E | 70.5 | Confident | 69 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | 172.9 | -78.8 | 176.2 | 171.5 | 0 | 0 | 111.7 | N6 C7 S12 R13 | N6-E10 WeakPolarHBondContact O-CB 3.27Å; N6-E10 WeakPolarHBondContact O-CG 3.29Å; N6-E10 PolarHBondContact O-N 3.06Å; C7-E10 PolarHBondContact O-N 2.92Å; E10-S12 PolarHBondContact O-N 3.31Å; E10-R13 WeakPolarHBondContact O-CB 3.25Å; E10-R13 PolarHBondContact O-N 3.45Å |
| 11 | E | 74.3 | Confident | 70 | Confident | 52 Ų | 52 | 97.4 Ų | 97.4 | 24% | 0.243 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.4 | -75 | 177.4 | 176.5 | 0 | 0 | 113.2 | C7 E9 R13 E14 W15 R68 | C7-E11 WeakPolarHBondContact O-CG 3.45Å; C7-E11 PolarHBondContact O-N 2.89Å; E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 3.43Å; E11-R13 PolarHBondContact O-N 2.98Å; E11-E14 VanDerWaalsContact O-CB 3.23Å; E11-E14 WeakPolarHBondContact O-CB 3.11Å; E11-E14 WeakPolarHBondContact O-CG 3.25Å; E11-E14 PolarHBondContact O-N 3.42Å; E11-W15 HydrophobicContact CB-CH2 4.48Å; E11-W15 WeakPolarHBondContact O-CZ3 3.35Å; E11-R68 IonicContact OE1-CZ 3.59Å; E11-R68 IonicContact OE1-NE 2.75Å; E11-R68 IonicContact OE1-NH2 3.44Å; E11-R68 PolarHBondContact OE1-NH2 2.73Å; E11-R68 IonicContact OE2-CZ 2.71Å; E11-R68 VanDerWaalsContact OE2-CZ 3.26Å; E11-R68 IonicContact OE2-NE 2.98Å; E11-R68 PolarHBondContact OE2-NE 2.84Å; E11-R68 IonicContact OE2-NH2 2.69Å; E11-R68 PolarHBondContact OE2-NH2 3.26Å |
| 12 | S | 75.4 | Confident | 72.2 | Confident | 39 Ų | 39 | 88 Ų | 88 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -21.5 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | E8 E9 E10 E14 S16 | E8-S12 PolarHBondContact O-N 3.26Å; E8-S12 PolarHBondContact O-OG 3.45Å; E9-S12 PolarHBondContact O-N 3.29Å; E10-S12 PolarHBondContact O-N 3.31Å; S12-E14 VanDerWaalsContact C-N 3.26Å; S12-S16 PolarHBondContact O-N 3.16Å |
| 13 | R | 81 | Confident | 74.6 | Confident | 177 Ų | 177 | 82.9 Ų | 82.9 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -72.2 | -21.2 | 172.3 | -66.1 | 179.2 | 179 | 176.4 | 1.6 | 112.4 | E9 E10 E11 W15 S16 | E9-R13 PolarHBondContact O-N 3.17Å; E10-R13 WeakPolarHBondContact O-CB 3.25Å; E10-R13 PolarHBondContact O-N 3.45Å; E11-R13 PolarHBondContact O-N 2.98Å; R13-W15 VanDerWaalsContact C-N 3.3Å; R13-W15 PolarHBondContact O-N 3.47Å; R13-S16 PolarHBondContact O-OG 2.93Å; R13-S16 VanDerWaalsContact O-OG 3.08Å |
| 14 | E | 81.6 | Confident | 76.5 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 34% | 0.341 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -35.5 | -178.4 | -64.1 | -161.5 | 128.6 | 0 | 0 | 112.4 | E11 S12 H17 W80 R84 | E11-E14 VanDerWaalsContact O-CB 3.23Å; E11-E14 WeakPolarHBondContact O-CB 3.11Å; E11-E14 WeakPolarHBondContact O-CG 3.25Å; E11-E14 PolarHBondContact O-N 3.42Å; S12-E14 VanDerWaalsContact C-N 3.26Å; E14-H17 PolarHBondContact O-CE1 3.34Å; E14-H17 PolarHBondContact O-ND1 3.44Å; E14-H17 VanDerWaalsContact O-ND1 3.09Å; E14-W80 HydrophobicContact CB-CZ2 3.79Å; E14-W80 WeakPolarHBondContact O-CH2 3.43Å; E14-W80 WeakPolarHBondContact O-CZ2 3.47Å; E14-W80 PolarHBondContact OE2-NE1 2.93Å; E14-R84 VanDerWaalsContact CD-NH1 3.33Å; E14-R84 IonicContact OE1-CZ 3.29Å; E14-R84 IonicContact OE1-NH1 3.69Å; E14-R84 PolarHBondContact OE1-NH1 3.31Å; E14-R84 IonicContact OE1-NH2 3.97Å; E14-R84 PolarHBondContact OE1-NH2 2.9Å; E14-R84 IonicContact OE2-CZ 3.04Å; E14-R84 VanDerWaalsContact OE2-CZ 3.23Å; E14-R84 IonicContact OE2-NH1 3.26Å; E14-R84 PolarHBondContact OE2-NH1 3.15Å; E14-R84 IonicContact OE2-NH2 3.87Å; E14-R84 PolarHBondContact OE2-NH2 3.43Å; E14-R84 VanDerWaalsContact OE2-NH2 3.14Å |
| 15 | W | 86.8 | Confident | 78.3 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 11% | 0.114 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -114.3 | 9.4 | -180 | 62.2 | 73.4 | 0 | 0 | 0 | 113.9 | E11 R13 H17 L18 P22 A76 V77 W80 | E11-W15 HydrophobicContact CB-CH2 4.48Å; E11-W15 WeakPolarHBondContact O-CZ3 3.35Å; R13-W15 VanDerWaalsContact C-N 3.3Å; R13-W15 PolarHBondContact O-N 3.47Å; W15-H17 PolarHBondContact O-N 3.38Å; W15-L18 HydrophobicContact CB-CD1 3.99Å; W15-L18 HydrophobicContact CB-CG 4.27Å; W15-L18 WeakPolarHBondContact O-CB 3.49Å; W15-L18 WeakPolarHBondContact O-CG 3.12Å; W15-L18 PolarHBondContact O-N 2.89Å; W15-P22 HydrophobicContact CB-CG 4.04Å; W15-P22 HydrophobicContact CD2-CG 3.96Å; W15-P22 HydrophobicContact CG-CG 3.67Å; W15-A76 HydrophobicContact CH2-CB 4.3Å; W15-A76 HydrophobicContact CZ2-CB 3.73Å; W15-V77 HydrophobicContact CH2-CG2 3.66Å; W15-V77 HydrophobicContact CZ3-CG2 4.21Å; W15-W80 HydrophobicContact CB-CD2 3.76Å; W15-W80 HydrophobicContact CB-CE3 3.49Å; W15-W80 VanDerWaalsContact CB-CE3 3.49Å; W15-W80 HydrophobicContact CB-CH2 3.85Å; W15-W80 HydrophobicContact CB-CZ2 4.09Å; W15-W80 HydrophobicContact CB-CZ3 3.56Å; W15-W80 HydrophobicContact CD2-CB 4.31Å; W15-W80 HydrophobicContact CD2-CD2 4.27Å; W15-W80 HydrophobicContact CD2-CG 4.13Å; W15-W80 HydrophobicContact CE3-CB 3.6Å; W15-W80 AromaticContact CE3-CD1 3.3Å; W15-W80 AromaticContact CE3-CD2 3.63Å; W15-W80 HydrophobicContact CE3-CD2 3.63Å; W15-W80 AromaticContact CE3-CE2 3.86Å; W15-W80 HydrophobicContact CE3-CE3 4.45Å; W15-W80 AromaticContact CE3-CG 3.21Å; W15-W80 HydrophobicContact CE3-CG 3.21Å; W15-W80 AromaticContact CE3-NE1 3.62Å; W15-W80 HydrophobicContact CG-CD2 4.39Å; W15-W80 HydrophobicContact CG-CE3 4.4Å; W15-W80 HydrophobicContact CZ3-CB 3.84Å; W15-W80 AromaticContact CZ3-CD1 3.51Å; W15-W80 AromaticContact CZ3-CG 3.7Å; W15-W80 HydrophobicContact CZ3-CG 3.7Å |
| 16 | S | 83.7 | Confident | 80.2 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.8 | -179.2 | 62 | 0 | 0 | 0 | 0 | 113.6 | S12 R13 L18 | S12-S16 PolarHBondContact O-N 3.16Å; R13-S16 PolarHBondContact O-OG 2.93Å; R13-S16 VanDerWaalsContact O-OG 3.08Å; S16-L18 VanDerWaalsContact C-N 3.28Å |
| 17 | H | 84.9 | Confident | 81.7 | Confident | 109 Ų | 109 | 70 Ų | 70 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.3 | 174.8 | 65.9 | -88 | 0 | 0 | 0 | 113 | E14 W15 W80 F96 | E14-H17 PolarHBondContact O-CE1 3.34Å; E14-H17 PolarHBondContact O-ND1 3.44Å; E14-H17 VanDerWaalsContact O-ND1 3.09Å; W15-H17 PolarHBondContact O-N 3.38Å; H17-W80 AromaticContact CE1-CH2 3.78Å; H17-F96 AromaticContact NE2-CD2 3.63Å; H17-F96 AromaticContact NE2-CE2 3.51Å |
| 18 | L | 84.1 | Confident | 82.9 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -73.3 | 130.7 | 172.5 | -57.8 | -176.6 | 0 | 0 | 0 | 109.5 | W15 S16 K20 P22 L25 W80 L83 F96 | W15-L18 HydrophobicContact CB-CD1 3.99Å; W15-L18 HydrophobicContact CB-CG 4.27Å; W15-L18 WeakPolarHBondContact O-CB 3.49Å; W15-L18 WeakPolarHBondContact O-CG 3.12Å; W15-L18 PolarHBondContact O-N 2.89Å; S16-L18 VanDerWaalsContact C-N 3.28Å; L18-K20 VanDerWaalsContact CB-O 3.24Å; L18-K20 WeakPolarHBondContact CB-O 3.38Å; L18-K20 PolarHBondContact O-N 3.31Å; L18-K20 VanDerWaalsContact O-N 3.13Å; L18-P22 HydrophobicContact CD1-CG 4.34Å; L18-L25 HydrophobicContact CD1-CD2 4.12Å; L18-L25 HydrophobicContact CD2-CD2 4.22Å; L18-W80 HydrophobicContact CD1-CE3 4.2Å; L18-W80 HydrophobicContact CD1-CZ3 3.82Å; L18-W80 HydrophobicContact CG-CZ3 4.34Å; L18-L83 HydrophobicContact CD1-CD1 4.23Å; L18-F96 HydrophobicContact CD2-CB 3.68Å; L18-F96 HydrophobicContact CD2-CD2 3.62Å; L18-F96 HydrophobicContact CD2-CE2 4.44Å; L18-F96 HydrophobicContact CD2-CG 3.79Å |
| 19 | E | 82.2 | Confident | 83.9 | Confident | 198 Ų | 198 | 69 Ų | 69 | 93% | 0.925 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -63.2 | -17.4 | 174.1 | -64.5 | -176.2 | 168.6 | 0 | 0 | 113 | ||
| 20 | K | 85.2 | Confident | 84.9 | Confident | 87 Ų | 87 | 64 Ų | 64 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -130.5 | 157.7 | -176.4 | -59.7 | -178.3 | -170.8 | 178.8 | 0 | 110.2 | L18 V24 E28 | L18-K20 VanDerWaalsContact CB-O 3.24Å; L18-K20 WeakPolarHBondContact CB-O 3.38Å; L18-K20 PolarHBondContact O-N 3.31Å; L18-K20 VanDerWaalsContact O-N 3.13Å; K20-V24 HydrophobicContact CB-CB 4.35Å; K20-V24 HydrophobicContact CB-CG1 4.2Å; K20-V24 HydrophobicContact CD-CG1 3.99Å; K20-V24 HydrophobicContact CG-CG1 4.49Å; K20-E28 IonicContact NZ-OE1 2.87Å; K20-E28 PolarHBondContact NZ-OE1 2.88Å; K20-E28 IonicContact NZ-OE2 3.42Å; K20-E28 PolarHBondContact NZ-OE2 3.48Å |
| 21 | S | 88.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | -64.6 | 148.7 | 174 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | K23 V24 L25 | S21-K23 PolarHBondContact O-N 2.88Å; S21-K23 VanDerWaalsContact O-N 3.12Å; S21-V24 PolarHBondContact O-N 2.95Å; S21-V24 WeakPolarHBondContact OG-CG2 3.48Å; S21-V24 PolarHBondContact OG-N 3.28Å; S21-L25 PolarHBondContact O-N 3.49Å; S21-L25 VanDerWaalsContact O-N 3.07Å | ||
| 22 | P | 92.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -47.2 | -43.9 | 178.8 | -33.8 | 37.4 | 0 | 0 | 0 | 113.7 | W15 L18 L25 A26 W80 L83 | W15-P22 HydrophobicContact CB-CG 4.04Å; W15-P22 HydrophobicContact CD2-CG 3.96Å; W15-P22 HydrophobicContact CG-CG 3.67Å; L18-P22 HydrophobicContact CD1-CG 4.34Å; P22-L25 PolarHBondContact O-N 3.21Å; P22-A26 WeakPolarHBondContact O-CB 3.21Å; P22-A26 PolarHBondContact O-N 2.83Å; P22-W80 HydrophobicContact CB-CB 4.18Å; P22-W80 HydrophobicContact CG-CB 4.1Å; P22-W80 HydrophobicContact CG-CE3 4.37Å; P22-L83 HydrophobicContact CB-CD1 3.79Å; P22-L83 WeakPolarHBondContact O-CD1 3.41Å |
| 23 | K | 93.3 | Very high | 85.7 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.9 | 178.9 | 166.1 | -178.7 | 166.2 | 0 | 113.1 | S21 A26 H27 E41 I75 Y79 | S21-K23 PolarHBondContact O-N 2.88Å; S21-K23 VanDerWaalsContact O-N 3.12Å; K23-A26 PolarHBondContact O-N 3.37Å; K23-H27 VanDerWaalsContact CE-NE2 3.34Å; K23-H27 WeakPolarHBondContact CE-NE2 3.44Å; K23-H27 WeakPolarHBondContact O-CB 3.44Å; K23-H27 PolarHBondContact O-CD2 2.83Å; K23-H27 VanDerWaalsContact O-CD2 3.3Å; K23-H27 PolarHBondContact O-N 3.41Å; K23-E41 WeakPolarHBondContact CE-OE2 3.29Å; K23-E41 IonicContact NZ-OE1 2.78Å; K23-E41 PolarHBondContact NZ-OE1 3.2Å; K23-E41 IonicContact NZ-OE2 3.4Å; K23-E41 PolarHBondContact NZ-OE2 3.01Å; K23-I75 HydrophobicContact CB-CG2 4.49Å; K23-I75 HydrophobicContact CD-CG2 3.64Å; K23-Y79 HydrophobicContact CB-CD1 4.23Å; K23-Y79 HydrophobicContact CB-CD2 3.98Å; K23-Y79 HydrophobicContact CB-CE1 4.5Å; K23-Y79 HydrophobicContact CB-CE2 4.29Å; K23-Y79 HydrophobicContact CB-CG 3.94Å; K23-Y79 HydrophobicContact CD-CD2 4.25Å; K23-Y79 HydrophobicContact CD-CE2 3.78Å; K23-Y79 HydrophobicContact CG-CD1 4.33Å; K23-Y79 HydrophobicContact CG-CD2 4.17Å; K23-Y79 HydrophobicContact CG-CE1 4.09Å; K23-Y79 HydrophobicContact CG-CE2 3.96Å; K23-Y79 HydrophobicContact CG-CG 4.34Å |
| 24 | V | 90.3 | Very high | 85.6 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | -179.9 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | K20 S21 A26 H27 E28 | K20-V24 HydrophobicContact CB-CB 4.35Å; K20-V24 HydrophobicContact CB-CG1 4.2Å; K20-V24 HydrophobicContact CD-CG1 3.99Å; K20-V24 HydrophobicContact CG-CG1 4.49Å; S21-V24 PolarHBondContact O-N 2.95Å; S21-V24 WeakPolarHBondContact OG-CG2 3.48Å; S21-V24 PolarHBondContact OG-N 3.28Å; V24-A26 PolarHBondContact O-N 2.92Å; V24-H27 PolarHBondContact O-N 2.8Å; V24-E28 WeakPolarHBondContact O-CG 3.26Å; V24-E28 PolarHBondContact O-N 3.33Å |
| 25 | L | 89.9 | Confident | 85.8 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 178 | -173.3 | 66 | 0 | 0 | 0 | 111.6 | L18 S21 P22 E28 F29 L83 F92 F96 | L18-L25 HydrophobicContact CD1-CD2 4.12Å; L18-L25 HydrophobicContact CD2-CD2 4.22Å; S21-L25 PolarHBondContact O-N 3.49Å; S21-L25 VanDerWaalsContact O-N 3.07Å; P22-L25 PolarHBondContact O-N 3.21Å; L25-E28 PolarHBondContact O-N 3.23Å; L25-F29 PolarHBondContact O-N 2.9Å; L25-F29 VanDerWaalsContact O-N 3.09Å; L25-L83 HydrophobicContact CB-CD1 4.44Å; L25-L83 HydrophobicContact CD2-CD1 4.04Å; L25-L83 HydrophobicContact CD2-CD2 4.37Å; L25-F92 HydrophobicContact CD2-CE1 4.16Å; L25-F92 HydrophobicContact CG-CE1 4.09Å; L25-F96 HydrophobicContact CD2-CB 3.91Å |
| 26 | A | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P22 K23 V24 F29 L30 Y79 W82 L83 | P22-A26 WeakPolarHBondContact O-CB 3.21Å; P22-A26 PolarHBondContact O-N 2.83Å; K23-A26 PolarHBondContact O-N 3.37Å; V24-A26 PolarHBondContact O-N 2.92Å; A26-F29 WeakPolarHBondContact O-CB 3.37Å; A26-F29 PolarHBondContact O-N 3.41Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.44Å; A26-Y79 HydrophobicContact CB-CD1 3.66Å; A26-Y79 HydrophobicContact CB-CE1 4.16Å; A26-W82 HydrophobicContact CB-CE3 4.1Å; A26-W82 HydrophobicContact CB-CZ3 3.8Å; A26-L83 HydrophobicContact CB-CD2 4.2Å |
| 27 | H | 89.7 | Confident | 85.9 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.1 | -91.5 | -77 | 0 | 0 | 0 | 113.1 | K23 V24 F29 L30 Q31 L36 | K23-H27 VanDerWaalsContact CE-NE2 3.34Å; K23-H27 WeakPolarHBondContact CE-NE2 3.44Å; K23-H27 WeakPolarHBondContact O-CB 3.44Å; K23-H27 PolarHBondContact O-CD2 2.83Å; K23-H27 VanDerWaalsContact O-CD2 3.3Å; K23-H27 PolarHBondContact O-N 3.41Å; V24-H27 PolarHBondContact O-N 2.8Å; H27-F29 VanDerWaalsContact C-N 3.32Å; H27-L30 PolarHBondContact O-N 2.85Å; H27-Q31 VanDerWaalsContact O-CB 3.31Å; H27-Q31 WeakPolarHBondContact O-CB 3.44Å; H27-Q31 PolarHBondContact O-N 2.99Å; H27-L36 WeakPolarHBondContact ND1-CD2 3.47Å |
| 28 | E | 84.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.5 | -77.3 | -177.4 | 175.5 | 0 | 0 | 111.2 | K20 V24 L25 Q31 V32 | K20-E28 IonicContact NZ-OE1 2.87Å; K20-E28 PolarHBondContact NZ-OE1 2.88Å; K20-E28 IonicContact NZ-OE2 3.42Å; K20-E28 PolarHBondContact NZ-OE2 3.48Å; V24-E28 WeakPolarHBondContact O-CG 3.26Å; V24-E28 PolarHBondContact O-N 3.33Å; L25-E28 PolarHBondContact O-N 3.23Å; E28-Q31 PolarHBondContact O-N 2.94Å; E28-V32 VanDerWaalsContact O-CG2 3.23Å; E28-V32 WeakPolarHBondContact O-CG2 3.38Å; E28-V32 PolarHBondContact O-N 3.36Å |
| 29 | F | 85.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -49.4 | 173.6 | 168.2 | -115.5 | 0 | 0 | 0 | 112 | L25 A26 H27 Q31 V32 S33 W58 L86 V91 F92 P98 F100 | L25-F29 PolarHBondContact O-N 2.9Å; L25-F29 VanDerWaalsContact O-N 3.09Å; A26-F29 WeakPolarHBondContact O-CB 3.37Å; A26-F29 PolarHBondContact O-N 3.41Å; H27-F29 VanDerWaalsContact C-N 3.32Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 3.27Å; F29-V32 PolarHBondContact O-N 2.75Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.16Å; F29-S33 PolarHBondContact O-OG 2.9Å; F29-S33 VanDerWaalsContact O-OG 3.09Å; F29-W58 HydrophobicContact CE1-CH2 4.08Å; F29-W58 AromaticContact CE1-CZ3 3.55Å; F29-W58 HydrophobicContact CE1-CZ3 3.55Å; F29-W58 HydrophobicContact CE2-CH2 4.44Å; F29-W58 AromaticContact CZ-CH2 3.59Å; F29-W58 HydrophobicContact CZ-CH2 3.59Å; F29-W58 AromaticContact CZ-CZ3 3.57Å; F29-W58 HydrophobicContact CZ-CZ3 3.57Å; F29-L86 HydrophobicContact CD1-CD1 4.38Å; F29-L86 HydrophobicContact CE1-CD1 4.28Å; F29-V91 HydrophobicContact CE1-CG1 4.05Å; F29-V91 HydrophobicContact CE2-CG1 3.86Å; F29-V91 HydrophobicContact CZ-CG1 3.33Å; F29-F92 HydrophobicContact CB-CE2 4.15Å; F29-F92 HydrophobicContact CB-CZ 3.68Å; F29-F92 AromaticContact CD1-CE2 3.77Å; F29-F92 HydrophobicContact CD1-CE2 3.77Å; F29-F92 HydrophobicContact CD1-CZ 4.15Å; F29-F92 AromaticContact CD2-CE2 3.92Å; F29-F92 HydrophobicContact CD2-CE2 3.92Å; F29-F92 HydrophobicContact CD2-CZ 4.17Å; F29-F92 HydrophobicContact CE1-CE2 4.09Å; F29-F92 HydrophobicContact CE2-CE2 4.22Å; F29-F92 AromaticContact CG-CE2 3.67Å; F29-F92 HydrophobicContact CG-CE2 3.67Å; F29-F92 AromaticContact CG-CZ 3.74Å; F29-F92 HydrophobicContact CG-CZ 3.74Å; F29-F92 HydrophobicContact CZ-CE2 4.3Å; F29-P98 HydrophobicContact CB-CG 4.26Å; F29-P98 HydrophobicContact CD2-CB 3.73Å; F29-P98 HydrophobicContact CD2-CG 4.02Å; F29-P98 HydrophobicContact CE2-CB 4.25Å; F29-F100 HydrophobicContact CD2-CE1 4.35Å; F29-F100 HydrophobicContact CE2-CE1 4.4Å |
| 30 | L | 87.3 | Confident | 87 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 177.8 | -70.7 | 173.2 | 0 | 0 | 0 | 113 | A26 H27 S33 N34 K35 L36 V38 V39 W58 W82 | A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.44Å; H27-L30 PolarHBondContact O-N 2.85Å; L30-S33 CarbonylContact O-C 3.56Å; L30-S33 PolarHBondContact O-N 3.29Å; L30-N34 PolarHBondContact O-N 3.31Å; L30-K35 HydrophobicContact CD2-CB 4.1Å; L30-K35 WeakPolarHBondContact CD2-O 3.46Å; L30-K35 PolarHBondContact O-N 3.31Å; L30-L36 HydrophobicContact CB-CD2 3.77Å; L30-L36 HydrophobicContact CB-CG 4.25Å; L30-V38 HydrophobicContact CD2-CG2 3.8Å; L30-V39 HydrophobicContact CD1-CG2 3.34Å; L30-W58 HydrophobicContact CD2-CE3 4.21Å; L30-W58 HydrophobicContact CD2-CZ3 4.31Å; L30-W82 HydrophobicContact CD1-CH2 3.92Å; L30-W82 HydrophobicContact CD1-CZ3 4.07Å; L30-W82 HydrophobicContact CD2-CH2 3.91Å; L30-W82 HydrophobicContact CG-CH2 4.02Å |
| 31 | Q | 83.4 | Confident | 87.5 | Confident | 127 Ų | 127 | 58.5 Ų | 58.5 | 59% | 0.593 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | 177.2 | -172.8 | 178 | 11 | 0 | 0 | 111.4 | H27 E28 F29 S33 N34 L36 | H27-Q31 VanDerWaalsContact O-CB 3.31Å; H27-Q31 WeakPolarHBondContact O-CB 3.44Å; H27-Q31 PolarHBondContact O-N 2.99Å; E28-Q31 PolarHBondContact O-N 2.94Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 3.27Å; Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 3.38Å; Q31-N34 PolarHBondContact O-N 3.3Å; Q31-L36 HydrophobicContact CB-CD1 4.26Å; Q31-L36 HydrophobicContact CG-CD1 4.38Å |
| 32 | V | 75 | Confident | 87.7 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.1 | -29.2 | 178 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | E28 F29 N34 F100 K816 | E28-V32 VanDerWaalsContact O-CG2 3.23Å; E28-V32 WeakPolarHBondContact O-CG2 3.38Å; E28-V32 PolarHBondContact O-N 3.36Å; F29-V32 PolarHBondContact O-N 2.75Å; V32-N34 VanDerWaalsContact C-N 3.35Å; V32-F100 HydrophobicContact CB-CE1 4.32Å; V32-F100 HydrophobicContact CB-CZ 3.99Å; V32-F100 HydrophobicContact CG1-CE1 3.67Å; V32-F100 HydrophobicContact CG1-CE2 4.16Å; V32-F100 HydrophobicContact CG1-CZ 3.32Å; V32-K816 PolarHBondContact O-NZ 2.98Å |
| 33 | S | 79 | Confident | 87.7 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.3 | -6.8 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | F29 L30 Q31 K35 | F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.16Å; F29-S33 PolarHBondContact O-OG 2.9Å; F29-S33 VanDerWaalsContact O-OG 3.09Å; L30-S33 CarbonylContact O-C 3.56Å; L30-S33 PolarHBondContact O-N 3.29Å; Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 3.38Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 3.28Å |
| 34 | N | 79.1 | Confident | 87.7 | Confident | 145 Ų | 145 | 64.6 Ų | 64.6 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 40 | -176.8 | -128.7 | 20.1 | 0 | 0 | 0 | 113.3 | L30 Q31 V32 | L30-N34 PolarHBondContact O-N 3.31Å; Q31-N34 PolarHBondContact O-N 3.3Å; V32-N34 VanDerWaalsContact C-N 3.35Å |
| 35 | K | 85.4 | Confident | 87.5 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | trans | -126.7 | 32.3 | -174.1 | -68.8 | -66.3 | -174.5 | 176.2 | 0 | 113.3 | L30 S33 D37 V38 W58 | L30-K35 HydrophobicContact CD2-CB 4.1Å; L30-K35 WeakPolarHBondContact CD2-O 3.46Å; L30-K35 PolarHBondContact O-N 3.31Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 3.28Å; K35-D37 VanDerWaalsContact C-OD1 3.28Å; K35-D37 WeakPolarHBondContact CA-OD1 3.46Å; K35-D37 PolarHBondContact O-N 3.14Å; K35-D37 VanDerWaalsContact O-N 3.16Å; K35-V38 HydrophobicContact CB-CG1 4.12Å; K35-V38 HydrophobicContact CB-CG2 4.34Å; K35-V38 HydrophobicContact CD-CG1 4.18Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.05Å; K35-W58 HydrophobicContact CB-CE3 4.09Å; K35-W58 HydrophobicContact CB-CZ3 4.45Å; K35-W58 HydrophobicContact CG-CD2 4.18Å; K35-W58 HydrophobicContact CG-CE3 4.13Å; K35-W58 HydrophobicContact CG-CZ3 4.43Å | ||
| 36 | L | 84.6 | Confident | 87 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 45% | 0.45 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -64.1 | -18.8 | -176.7 | -76.8 | 166.2 | 0 | 0 | 0 | 114.1 | H27 L30 Q31 V38 | H27-L36 WeakPolarHBondContact ND1-CD2 3.47Å; L30-L36 HydrophobicContact CB-CD2 3.77Å; L30-L36 HydrophobicContact CB-CG 4.25Å; Q31-L36 HydrophobicContact CB-CD1 4.26Å; Q31-L36 HydrophobicContact CG-CD1 4.38Å; L36-V38 VanDerWaalsContact C-N 3.33Å |
| 37 | D | 87.7 | Confident | 86.2 | Confident | 137 Ų | 137 | 79.5 Ų | 79.5 | 73% | 0.733 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -79 | -8.6 | -178.2 | 56.6 | -31.4 | 0 | 0 | 0 | 114.6 | K35 V39 | K35-D37 VanDerWaalsContact C-OD1 3.28Å; K35-D37 WeakPolarHBondContact CA-OD1 3.46Å; K35-D37 PolarHBondContact O-N 3.14Å; K35-D37 VanDerWaalsContact O-N 3.16Å; D37-V39 VanDerWaalsContact C-N 3.35Å; D37-V39 PolarHBondContact O-N 3.07Å |
| 38 | V | 89.7 | Confident | 85.8 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 10% | 0.097 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -87 | -1.4 | -174.4 | -53 | 0 | 0 | 0 | 0 | 114.3 | L30 K35 L36 V56 S57 W58 | L30-V38 HydrophobicContact CD2-CG2 3.8Å; K35-V38 HydrophobicContact CB-CG1 4.12Å; K35-V38 HydrophobicContact CB-CG2 4.34Å; K35-V38 HydrophobicContact CD-CG1 4.18Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.05Å; L36-V38 VanDerWaalsContact C-N 3.33Å; V38-V56 HydrophobicContact CG2-CG1 3.87Å; V38-V56 VanDerWaalsContact O-CA 3.31Å; V38-V56 WeakPolarHBondContact O-CA 3.35Å; V38-V56 WeakPolarHBondContact O-CG1 3.24Å; V38-S57 PolarHBondContact O-N 3.23Å; V38-S57 PolarHBondContact O-OG 3.37Å; V38-W58 HydrophobicContact CB-CB 3.87Å; V38-W58 HydrophobicContact CG1-CB 3.79Å; V38-W58 HydrophobicContact CG2-CB 3.94Å |
| 39 | V | 92.3 | Very high | 85.9 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 17% | 0.17 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.2 | -174.2 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | L30 D37 L54 V56 W82 | L30-V39 HydrophobicContact CD1-CG2 3.34Å; D37-V39 VanDerWaalsContact C-N 3.35Å; D37-V39 PolarHBondContact O-N 3.07Å; V39-L54 HydrophobicContact CG1-CD1 3.51Å; V39-V56 HydrophobicContact CG1-CG2 4.42Å; V39-V56 HydrophobicContact CG2-CG1 3.87Å; V39-V56 HydrophobicContact CG2-CG2 4.13Å; V39-W82 HydrophobicContact CG2-CH2 4.37Å; V39-W82 HydrophobicContact CG2-CZ3 4.35Å |
| 40 | E | 93.4 | Very high | 86.1 | Confident | 140 Ų | 140 | 84.6 Ų | 84.6 | 65% | 0.654 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.8 | 166.7 | -64 | -173.6 | 167.5 | 0 | 0 | 110 | S55 | E40-S55 PolarHBondContact N-O 3.32Å; E40-S55 PolarHBondContact O-N 3.38Å |
| 41 | E | 95.1 | Very high | 86.4 | Confident | 55 Ų | 55 | 90.7 Ų | 90.7 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.3 | 175.8 | 177.4 | -171.7 | 128.4 | 0 | 0 | 109.4 | K23 V43 S53 L54 I75 Y79 | K23-E41 WeakPolarHBondContact CE-OE2 3.29Å; K23-E41 IonicContact NZ-OE1 2.78Å; K23-E41 PolarHBondContact NZ-OE1 3.2Å; K23-E41 IonicContact NZ-OE2 3.4Å; K23-E41 PolarHBondContact NZ-OE2 3.01Å; E41-V43 HydrophobicContact CG-CG2 4.37Å; E41-S53 WeakPolarHBondContact CA-O 3.48Å; E41-L54 HydrophobicContact CB-CD1 4.37Å; E41-I75 WeakPolarHBondContact OE1-CD1 3.5Å; E41-Y79 WeakPolarHBondContact OE2-CE2 3.46Å; E41-Y79 PolarHBondContact OE2-OH 3.25Å |
| 42 | T | 93.7 | Very high | 86.9 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.4 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | A52 S53 | T42-A52 CarbonylContact O-C 3.53Å; T42-A52 WeakPolarHBondContact O-CA 3.49Å; T42-S53 PolarHBondContact N-O 3.4Å; T42-S53 PolarHBondContact O-N 2.87Å; T42-S53 WeakPolarHBondContact OG1-CB 3.46Å |
| 43 | V | 92.8 | Very high | 87.9 | Confident | 47 Ų | 47 | 84 Ų | 84 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 117.4 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | E41 V50 R51 A52 R71 I75 | E41-V43 HydrophobicContact CG-CG2 4.37Å; V43-V50 HydrophobicContact CG1-CG1 3.38Å; V43-R51 CarbonylContact C-O 3.51Å; V43-R51 WeakPolarHBondContact CA-O 3.34Å; V43-A52 HydrophobicContact CG2-CB 4.17Å; V43-R71 HydrophobicContact CG1-CG 4.19Å; V43-I75 HydrophobicContact CG2-CD1 4.2Å; V43-I75 HydrophobicContact CG2-CG1 4.12Å |
| 44 | E | 91.5 | Very high | 88.7 | Confident | 126 Ų | 126 | 83 Ų | 83 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144.7 | 178.6 | -62.5 | -179.5 | 168.8 | 0 | 0 | 110.3 | V50 R51 | E44-V50 CarbonylContact O-C 3.6Å; E44-V50 WeakPolarHBondContact O-CA 3.42Å; E44-R51 PolarHBondContact N-O 3.3Å; E44-R51 PolarHBondContact O-N 2.94Å |
| 45 | K | 86.2 | Confident | 89.5 | Confident | 172 Ų | 172 | 78.7 Ų | 78.7 | 75% | 0.748 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.6 | -179.9 | -173.6 | 179 | 179.7 | -172.8 | 0 | 110 | V50 | K45-V50 HydrophobicContact CG-CG2 4.26Å |
| 46 | A | 79.5 | Confident | 89.9 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 56% | 0.562 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | N48 E49 | A46-N48 PolarHBondContact O-N 3.31Å; A46-E49 PolarHBondContact N-O 2.97Å; A46-E49 PolarHBondContact O-N 3.37Å |
| 47 | D | 74.8 | Confident | 90.3 | Very high | 162 Ų | 162 | 74.8 Ų | 74.8 | 87% | 0.866 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | -79.8 | -178.6 | -65.2 | -23.2 | 0 | 0 | 0 | 115.7 | ||
| 48 | N | 81.3 | Confident | 90.3 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 12.4 | -178.3 | -73.4 | -39.2 | 0 | 0 | 0 | 113.7 | A46 | A46-N48 PolarHBondContact O-N 3.31Š|
| 49 | E | 85.6 | Confident | 90.1 | Very high | 94 Ų | 94 | 70.4 Ų | 70.4 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142.3 | -176 | -68.3 | -173.6 | 175.8 | 0 | 0 | 111 | R4 A46 T67 | R4-E49 IonicContact NH1-OE1 3.93Å; A46-E49 PolarHBondContact N-O 2.97Å; A46-E49 PolarHBondContact O-N 3.37Å; E49-T67 HydrophobicContact CB-CG2 3.61Å; E49-T67 HydrophobicContact CG-CG2 4.18Å; E49-T67 WeakPolarHBondContact OE2-CG2 3.38Å |
| 50 | V | 90.4 | Very high | 89.9 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.4 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | V43 E44 K45 T67 R68 R71 A74 | V43-V50 HydrophobicContact CG1-CG1 3.38Å; E44-V50 CarbonylContact O-C 3.6Å; E44-V50 WeakPolarHBondContact O-CA 3.42Å; K45-V50 HydrophobicContact CG-CG2 4.26Å; V50-T67 CarbonylContact O-C 3.56Å; V50-T67 WeakPolarHBondContact O-CA 3Å; V50-R68 PolarHBondContact N-O 2.95Å; V50-R68 PolarHBondContact O-N 3.32Å; V50-R71 HydrophobicContact CG1-CB 4.11Å; V50-A74 HydrophobicContact CB-CB 4.42Å; V50-A74 HydrophobicContact CG1-CB 4.23Å; V50-A74 WeakPolarHBondContact O-CB 3.42Å |
| 51 | R | 93.3 | Very high | 89.8 | Confident | 128 Ų | 128 | 73.9 Ų | 73.9 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.3 | 172.8 | 178.2 | 178.2 | -89.5 | 180 | -7.6 | 108.4 | V43 E44 T65 A66 | V43-R51 CarbonylContact C-O 3.51Å; V43-R51 WeakPolarHBondContact CA-O 3.34Å; E44-R51 PolarHBondContact N-O 3.3Å; E44-R51 PolarHBondContact O-N 2.94Å; R51-T65 HydrophobicContact CG-CG2 3.44Å; R51-T65 VanDerWaalsContact CG-CG2 3.44Å; R51-A66 WeakPolarHBondContact CA-O 3.36Å |
| 52 | A | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 135.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | T42 V43 T65 A66 A74 I75 V78 | T42-A52 CarbonylContact O-C 3.53Å; T42-A52 WeakPolarHBondContact O-CA 3.49Å; V43-A52 HydrophobicContact CG2-CB 4.17Å; A52-T65 CarbonylContact O-C 3.53Å; A52-T65 VanDerWaalsContact O-CA 3.28Å; A52-T65 WeakPolarHBondContact O-CA 3.49Å; A52-A66 PolarHBondContact N-O 3.43Å; A52-A66 PolarHBondContact O-N 3.33Å; A52-A74 HydrophobicContact CB-CB 3.7Å; A52-I75 HydrophobicContact CB-CG1 4.32Å; A52-V78 HydrophobicContact CB-CG1 4.2Å; A52-V78 HydrophobicContact CB-CG2 4.27Å; A52-V78 WeakPolarHBondContact O-CG1 3.16Å |
| 53 | S | 95.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.5 | 171.9 | -61 | 0 | 0 | 0 | 0 | 108.2 | E41 T42 T64 T65 | E41-S53 WeakPolarHBondContact CA-O 3.48Å; T42-S53 PolarHBondContact N-O 3.4Å; T42-S53 PolarHBondContact O-N 2.87Å; T42-S53 WeakPolarHBondContact OG1-CB 3.46Å; S53-T64 CarbonylContact C-O 3.55Å; S53-T64 WeakPolarHBondContact CA-O 3.35Å; S53-T65 WeakPolarHBondContact CB-OG1 3.07Å; S53-T65 WeakPolarHBondContact OG-CG2 3.35Å; S53-T65 PolarHBondContact OG-OG1 2.97Å |
| 54 | L | 96.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.6 | 176.6 | -177 | 71.7 | 0 | 0 | 0 | 107.2 | V39 E41 V56 A63 T64 V78 Y79 W82 | V39-L54 HydrophobicContact CG1-CD1 3.51Å; E41-L54 HydrophobicContact CB-CD1 4.37Å; L54-V56 HydrophobicContact CD1-CG2 4.17Å; L54-V56 HydrophobicContact CD2-CG2 4.06Å; L54-V56 HydrophobicContact CG-CG2 3.81Å; L54-A63 CarbonylContact O-C 3.59Å; L54-A63 VanDerWaalsContact O-CA 3.24Å; L54-A63 WeakPolarHBondContact O-CA 3.29Å; L54-T64 HydrophobicContact CB-CG2 4.32Å; L54-T64 PolarHBondContact N-O 3.48Å; L54-T64 PolarHBondContact O-N 3.13Å; L54-V78 HydrophobicContact CB-CB 3.74Å; L54-V78 HydrophobicContact CB-CG2 3.8Å; L54-V78 HydrophobicContact CD2-CB 4.39Å; L54-V78 HydrophobicContact CD2-CG2 4.42Å; L54-V78 WeakPolarHBondContact CD2-O 3.35Å; L54-Y79 HydrophobicContact CD1-CE1 4.22Å; L54-Y79 HydrophobicContact CD1-CE2 3.92Å; L54-Y79 HydrophobicContact CD2-CD1 4.31Å; L54-Y79 HydrophobicContact CD2-CD2 4.4Å; L54-Y79 HydrophobicContact CD2-CG 4.27Å; L54-W82 HydrophobicContact CD2-CB 3.81Å; L54-W82 HydrophobicContact CD2-CD2 4.48Å; L54-W82 HydrophobicContact CD2-CE3 4.33Å; L54-W82 HydrophobicContact CD2-CG 4.28Å |
| 55 | S | 95.5 | Very high | 90.2 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.1 | 170.3 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | E40 F62 | E40-S55 PolarHBondContact N-O 3.32Å; E40-S55 PolarHBondContact O-N 3.38Å; S55-F62 CarbonylContact C-O 3.58Å; S55-F62 WeakPolarHBondContact CA-O 3.5Å |
| 56 | V | 94.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.4 | -179.7 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | V38 V39 L54 W58 E61 F62 W82 | V38-V56 HydrophobicContact CG2-CG1 3.87Å; V38-V56 VanDerWaalsContact O-CA 3.31Å; V38-V56 WeakPolarHBondContact O-CA 3.35Å; V38-V56 WeakPolarHBondContact O-CG1 3.24Å; V39-V56 HydrophobicContact CG1-CG2 4.42Å; V39-V56 HydrophobicContact CG2-CG1 3.87Å; V39-V56 HydrophobicContact CG2-CG2 4.13Å; L54-V56 HydrophobicContact CD1-CG2 4.17Å; L54-V56 HydrophobicContact CD2-CG2 4.06Å; L54-V56 HydrophobicContact CG-CG2 3.81Å; V56-W58 WeakPolarHBondContact CG1-O 3.46Å; V56-E61 CarbonylContact O-C 3.48Å; V56-E61 WeakPolarHBondContact O-CA 3.31Å; V56-F62 PolarHBondContact N-O 3.35Å; V56-F62 PolarHBondContact O-N 3.01Å; V56-W82 HydrophobicContact CB-CZ2 4.26Å; V56-W82 HydrophobicContact CG1-CH2 4.01Å; V56-W82 HydrophobicContact CG1-CZ2 3.57Å; V56-W82 HydrophobicContact CG2-CD2 3.94Å; V56-W82 HydrophobicContact CG2-CE3 4.22Å; V56-W82 HydrophobicContact CG2-CG 4.36Å; V56-W82 HydrophobicContact CG2-CZ2 4.26Å; V56-W82 HydrophobicContact CG2-CZ3 4.48Å |
| 57 | S | 91.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 53% | 0.531 | 33% | 0.33 | S | S | . | . | trans | -92.8 | -7 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | V38 | V38-S57 PolarHBondContact O-N 3.23Å; V38-S57 PolarHBondContact O-OG 3.37Å | ||
| 58 | W | 89.1 | Confident | 91.9 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -146.2 | 144.1 | -175.7 | -176.1 | 86.5 | 0 | 0 | 0 | 111.6 | F29 L30 K35 V38 V56 F60 L984 | F29-W58 HydrophobicContact CE1-CH2 4.08Å; F29-W58 AromaticContact CE1-CZ3 3.55Å; F29-W58 HydrophobicContact CE1-CZ3 3.55Å; F29-W58 HydrophobicContact CE2-CH2 4.44Å; F29-W58 AromaticContact CZ-CH2 3.59Å; F29-W58 HydrophobicContact CZ-CH2 3.59Å; F29-W58 AromaticContact CZ-CZ3 3.57Å; F29-W58 HydrophobicContact CZ-CZ3 3.57Å; L30-W58 HydrophobicContact CD2-CE3 4.21Å; L30-W58 HydrophobicContact CD2-CZ3 4.31Å; K35-W58 HydrophobicContact CB-CE3 4.09Å; K35-W58 HydrophobicContact CB-CZ3 4.45Å; K35-W58 HydrophobicContact CG-CD2 4.18Å; K35-W58 HydrophobicContact CG-CE3 4.13Å; K35-W58 HydrophobicContact CG-CZ3 4.43Å; V38-W58 HydrophobicContact CB-CB 3.87Å; V38-W58 HydrophobicContact CG1-CB 3.79Å; V38-W58 HydrophobicContact CG2-CB 3.94Å; V56-W58 WeakPolarHBondContact CG1-O 3.46Å; W58-F60 VanDerWaalsContact C-N 3.28Å; W58-L984 VanDerWaalsContact CE2-CD2 3.47Å; W58-L984 HydrophobicContact CH2-CD2 4.25Å; W58-L984 HydrophobicContact CZ2-CD2 3.21Å; W58-L984 HydrophobicContact CZ2-CG 3.77Å |
| 59 | P | 84.7 | Confident | 92.1 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | S | Bend | cis | -73.3 | -12.2 | 1.8 | 27.2 | -30.5 | 0 | 0 | 0 | 114.7 | L86 V91 I983 | P59-L86 VanDerWaalsContact CD-CD2 3.49Å; P59-L86 HydrophobicContact CG-CD2 3.49Å; P59-L86 VanDerWaalsContact CG-CD2 3.49Å; P59-V91 HydrophobicContact CG-CG2 3.93Å; P59-I983 HydrophobicContact CB-CG2 4.09Å |
| 60 | F | 88.9 | Confident | 92.3 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -143.6 | 157.5 | 171.2 | 47.8 | -93.4 | 0 | 0 | 0 | 108 | W58 F62 A85 L86 A89 | W58-F60 VanDerWaalsContact C-N 3.28Å; F60-F62 HydrophobicContact CD2-CB 4.1Å; F60-F62 HydrophobicContact CE2-CB 3.93Å; F60-F62 HydrophobicContact CE2-CD2 4.15Å; F60-F62 HydrophobicContact CE2-CG 4.41Å; F60-F62 PolarHBondContact O-N 2.99Å; F60-A85 HydrophobicContact CE2-CB 4.02Å; F60-A85 HydrophobicContact CZ-CB 3.92Å; F60-L86 HydrophobicContact CE1-CD2 3.99Å; F60-L86 HydrophobicContact CZ-CD2 4.11Å; F60-A89 HydrophobicContact CD1-CB 4.18Å; F60-A89 HydrophobicContact CE1-CB 3.41Å; F60-A89 VanDerWaalsContact CE1-CB 3.41Å; F60-A89 HydrophobicContact CZ-CB 4.05Å |
| 61 | E | 90.7 | Very high | 92.2 | Very high | 177 Ų | 177 | 55.2 Ų | 55.2 | 83% | 0.827 | 30% | 0.298 | S | S | * | . | trans | -60.6 | 120.5 | 172.5 | -71.2 | -170 | 168.3 | 0 | 0 | 109.9 | V56 | V56-E61 CarbonylContact O-C 3.48Å; V56-E61 WeakPolarHBondContact O-CA 3.31Å | ||
| 62 | F | 94.9 | Very high | 92 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 123.2 | 176.8 | -179.9 | -93.5 | 0 | 0 | 0 | 108.7 | S55 V56 F60 T64 E81 W82 A85 | S55-F62 CarbonylContact C-O 3.58Å; S55-F62 WeakPolarHBondContact CA-O 3.5Å; V56-F62 PolarHBondContact N-O 3.35Å; V56-F62 PolarHBondContact O-N 3.01Å; F60-F62 HydrophobicContact CD2-CB 4.1Å; F60-F62 HydrophobicContact CE2-CB 3.93Å; F60-F62 HydrophobicContact CE2-CD2 4.15Å; F60-F62 HydrophobicContact CE2-CG 4.41Å; F60-F62 PolarHBondContact O-N 2.99Å; F62-T64 HydrophobicContact CE1-CG2 3.52Å; F62-T64 HydrophobicContact CZ-CG2 3.94Å; F62-E81 HydrophobicContact CZ-CB 4.08Å; F62-W82 HydrophobicContact CD1-CB 3.79Å; F62-W82 AromaticContact CD1-CD1 3.4Å; F62-W82 AromaticContact CD1-CG 3.8Å; F62-W82 HydrophobicContact CD1-CG 3.8Å; F62-W82 HydrophobicContact CE1-CB 3.53Å; F62-W82 AromaticContact CE1-CD1 4Å; F62-W82 HydrophobicContact CE1-CG 4.08Å; F62-W82 AromaticContact CG-CD1 3.54Å; F62-W82 HydrophobicContact CG-CG 4.37Å; F62-W82 HydrophobicContact CZ-CB 4.21Å; F62-A85 HydrophobicContact CD2-CB 3.75Å; F62-A85 HydrophobicContact CE2-CB 3.57Å; F62-A85 HydrophobicContact CZ-CB 4.36Å |
| 63 | A | 95.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L54 | L54-A63 CarbonylContact O-C 3.59Å; L54-A63 VanDerWaalsContact O-CA 3.24Å; L54-A63 WeakPolarHBondContact O-CA 3.29Å |
| 64 | T | 96.5 | Very high | 91.4 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 161.1 | 172.4 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | S53 L54 F62 V78 E81 | S53-T64 CarbonylContact C-O 3.55Å; S53-T64 WeakPolarHBondContact CA-O 3.35Å; L54-T64 HydrophobicContact CB-CG2 4.32Å; L54-T64 PolarHBondContact N-O 3.48Å; L54-T64 PolarHBondContact O-N 3.13Å; F62-T64 HydrophobicContact CE1-CG2 3.52Å; F62-T64 HydrophobicContact CZ-CG2 3.94Å; T64-V78 HydrophobicContact CG2-CB 3.69Å; T64-V78 HydrophobicContact CG2-CG1 3.89Å; T64-E81 VanDerWaalsContact CB-OE2 3.31Å; T64-E81 WeakPolarHBondContact CB-OE2 3.31Å; T64-E81 HydrophobicContact CG2-CB 4.3Å; T64-E81 VanDerWaalsContact CG2-OE2 3.29Å; T64-E81 WeakPolarHBondContact CG2-OE2 3.38Å; T64-E81 PolarHBondContact OG1-OE2 2.6Å |
| 65 | T | 95 | Very high | 91.2 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 127.1 | 176.8 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | R51 A52 S53 | R51-T65 HydrophobicContact CG-CG2 3.44Å; R51-T65 VanDerWaalsContact CG-CG2 3.44Å; A52-T65 CarbonylContact O-C 3.53Å; A52-T65 VanDerWaalsContact O-CA 3.28Å; A52-T65 WeakPolarHBondContact O-CA 3.49Å; S53-T65 WeakPolarHBondContact CB-OG1 3.07Å; S53-T65 WeakPolarHBondContact OG-CG2 3.35Å; S53-T65 PolarHBondContact OG-OG1 2.97Å |
| 66 | A | 92.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R51 A52 V77 V78 | R51-A66 WeakPolarHBondContact CA-O 3.36Å; A52-A66 PolarHBondContact N-O 3.43Å; A52-A66 PolarHBondContact O-N 3.33Å; A66-V77 HydrophobicContact CB-CB 3.97Å; A66-V77 HydrophobicContact CB-CG1 3.53Å; A66-V78 HydrophobicContact CB-CG1 3.64Å |
| 67 | T | 91 | Very high | 91 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.1 | 174 | -55.3 | 0 | 0 | 0 | 0 | 110 | E49 V50 | E49-T67 HydrophobicContact CB-CG2 3.61Å; E49-T67 HydrophobicContact CG-CG2 4.18Å; E49-T67 WeakPolarHBondContact OE2-CG2 3.38Å; V50-T67 CarbonylContact O-C 3.56Å; V50-T67 WeakPolarHBondContact O-CA 3Å |
| 68 | R | 91.1 | Very high | 91.1 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 166.6 | 179.6 | -64.8 | -63.9 | 179.8 | -73.4 | -1.8 | 112.3 | E11 V50 S70 R73 A74 V77 | E11-R68 IonicContact OE1-CZ 3.59Å; E11-R68 IonicContact OE1-NE 2.75Å; E11-R68 IonicContact OE1-NH2 3.44Å; E11-R68 PolarHBondContact OE1-NH2 2.73Å; E11-R68 IonicContact OE2-CZ 2.71Å; E11-R68 VanDerWaalsContact OE2-CZ 3.26Å; E11-R68 IonicContact OE2-NE 2.98Å; E11-R68 PolarHBondContact OE2-NE 2.84Å; E11-R68 IonicContact OE2-NH2 2.69Å; E11-R68 PolarHBondContact OE2-NH2 3.26Å; V50-R68 PolarHBondContact N-O 2.95Å; V50-R68 PolarHBondContact O-N 3.32Å; R68-S70 PolarHBondContact O-N 2.81Å; R68-R73 HydrophobicContact CB-CB 3.99Å; R68-R73 HydrophobicContact CG-CB 4.22Å; R68-A74 HydrophobicContact CB-CB 4.07Å; R68-A74 HydrophobicContact CG-CB 4.42Å; R68-V77 HydrophobicContact CG-CG2 4.24Å |
| 69 | S | 87 | Confident | 91.4 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -60.7 | -21.5 | 176.6 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | E8 | E8-S69 PolarHBondContact OE1-N 3.07Å; E8-S69 VanDerWaalsContact OE1-N 3.15Å; E8-S69 PolarHBondContact OE1-OG 3.31Å; E8-S69 PolarHBondContact OE2-OG 2.94Å |
| 70 | S | 88.6 | Confident | 91.9 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -141.3 | 151 | -179.3 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | R68 K72 R73 A74 | R68-S70 PolarHBondContact O-N 2.81Å; S70-K72 VanDerWaalsContact C-N 3.33Å; S70-K72 PolarHBondContact O-N 2.95Å; S70-R73 PolarHBondContact O-N 2.9Å; S70-R73 WeakPolarHBondContact OG-CB 3.47Å; S70-R73 WeakPolarHBondContact OG-CG 3.38Å; S70-R73 PolarHBondContact OG-N 2.84Å; S70-A74 PolarHBondContact O-N 3.03Å |
| 71 | R | 89.4 | Confident | 92.1 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 58% | 0.581 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.9 | -44.8 | 176.2 | 178 | 172 | -178.3 | 159.2 | 4.2 | 112.7 | V43 V50 R73 A74 I75 | V43-R71 HydrophobicContact CG1-CG 4.19Å; V50-R71 HydrophobicContact CG1-CB 4.11Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 3.35Å; R71-A74 PolarHBondContact O-N 3.42Å; R71-I75 HydrophobicContact CG-CD1 3.67Å; R71-I75 HydrophobicContact CG-CG1 4.39Å; R71-I75 WeakPolarHBondContact O-CB 3.35Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.3Å; R71-I75 PolarHBondContact O-N 2.89Å |
| 72 | K | 88.8 | Confident | 92.3 | Very high | 178 Ų | 178 | 44.2 Ų | 44.2 | 77% | 0.774 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.3 | -41.7 | -179 | -173.8 | 178.2 | 178 | -179 | 0 | 111.6 | S70 A76 | S70-K72 VanDerWaalsContact C-N 3.33Å; S70-K72 PolarHBondContact O-N 2.95Å; K72-A76 VanDerWaalsContact O-CB 3.31Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 3.2Å |
| 73 | R | 87.2 | Confident | 92.3 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.2 | -47.3 | 176.9 | -73.9 | -176.2 | 176.8 | 175.9 | -3.6 | 111.7 | E8 R68 S70 R71 I75 A76 V77 | E8-R73 IonicContact OE2-CZ 2.79Å; E8-R73 IonicContact OE2-NH1 3.9Å; E8-R73 PolarHBondContact OE2-NH1 3.16Å; R68-R73 HydrophobicContact CB-CB 3.99Å; R68-R73 HydrophobicContact CG-CB 4.22Å; S70-R73 PolarHBondContact O-N 2.9Å; S70-R73 WeakPolarHBondContact OG-CB 3.47Å; S70-R73 WeakPolarHBondContact OG-CG 3.38Å; S70-R73 PolarHBondContact OG-N 2.84Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 3.35Å; R73-I75 VanDerWaalsContact C-N 3.28Å; R73-I75 PolarHBondContact O-N 3.35Å; R73-A76 PolarHBondContact O-N 3.45Å; R73-A76 VanDerWaalsContact O-N 3.13Å; R73-V77 VanDerWaalsContact O-CG2 3.28Å; R73-V77 WeakPolarHBondContact O-CG2 3.43Å; R73-V77 PolarHBondContact O-N 3Å |
| 74 | A | 90.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.4 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V50 A52 R68 S70 R71 V78 | V50-A74 HydrophobicContact CB-CB 4.42Å; V50-A74 HydrophobicContact CG1-CB 4.23Å; V50-A74 WeakPolarHBondContact O-CB 3.42Å; A52-A74 HydrophobicContact CB-CB 3.7Å; R68-A74 HydrophobicContact CB-CB 4.07Å; R68-A74 HydrophobicContact CG-CB 4.42Å; S70-A74 PolarHBondContact O-N 3.03Å; R71-A74 PolarHBondContact O-N 3.42Å; A74-V78 PolarHBondContact O-N 3.42Å |
| 75 | I | 93.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 175.1 | -67.2 | 170.7 | 0 | 0 | 0 | 111.3 | K23 E41 V43 A52 R71 R73 V77 V78 Y79 | K23-I75 HydrophobicContact CB-CG2 4.49Å; K23-I75 HydrophobicContact CD-CG2 3.64Å; E41-I75 WeakPolarHBondContact OE1-CD1 3.5Å; V43-I75 HydrophobicContact CG2-CD1 4.2Å; V43-I75 HydrophobicContact CG2-CG1 4.12Å; A52-I75 HydrophobicContact CB-CG1 4.32Å; R71-I75 HydrophobicContact CG-CD1 3.67Å; R71-I75 HydrophobicContact CG-CG1 4.39Å; R71-I75 WeakPolarHBondContact O-CB 3.35Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.3Å; R71-I75 PolarHBondContact O-N 2.89Å; R73-I75 VanDerWaalsContact C-N 3.28Å; R73-I75 PolarHBondContact O-N 3.35Å; I75-V77 PolarHBondContact O-N 2.83Å; I75-V78 VanDerWaalsContact O-CG2 3.23Å; I75-V78 WeakPolarHBondContact O-CG2 3.1Å; I75-V78 PolarHBondContact O-N 3.07Å; I75-Y79 HydrophobicContact CG2-CD2 3.81Å; I75-Y79 HydrophobicContact CG2-CE2 3.88Å; I75-Y79 WeakPolarHBondContact O-CD2 3.38Å; I75-Y79 PolarHBondContact O-N 3.27Å |
| 76 | A | 91.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W15 K72 R73 W80 | W15-A76 HydrophobicContact CH2-CB 4.3Å; W15-A76 HydrophobicContact CZ2-CB 3.73Å; K72-A76 VanDerWaalsContact O-CB 3.31Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 3.2Å; R73-A76 PolarHBondContact O-N 3.45Å; R73-A76 VanDerWaalsContact O-N 3.13Å; A76-W80 WeakPolarHBondContact O-CB 3.29Å; A76-W80 PolarHBondContact O-N 3.17Å |
| 77 | V | 92.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -51.4 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | W15 A66 R68 R73 I75 Y79 W80 E81 | W15-V77 HydrophobicContact CH2-CG2 3.66Å; W15-V77 HydrophobicContact CZ3-CG2 4.21Å; A66-V77 HydrophobicContact CB-CB 3.97Å; A66-V77 HydrophobicContact CB-CG1 3.53Å; R68-V77 HydrophobicContact CG-CG2 4.24Å; R73-V77 VanDerWaalsContact O-CG2 3.28Å; R73-V77 WeakPolarHBondContact O-CG2 3.43Å; R73-V77 PolarHBondContact O-N 3Å; I75-V77 PolarHBondContact O-N 2.83Å; V77-Y79 VanDerWaalsContact C-N 3.31Å; V77-Y79 PolarHBondContact O-N 2.81Å; V77-W80 WeakPolarHBondContact O-CB 3.28Å; V77-W80 PolarHBondContact O-N 2.84Å; V77-W80 VanDerWaalsContact O-N 3.07Å; V77-E81 HydrophobicContact CG1-CG 4.37Å; V77-E81 WeakPolarHBondContact O-CG 3.24Å; V77-E81 PolarHBondContact O-N 2.91Å |
| 78 | V | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | -177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | A52 L54 T64 A66 A74 I75 W82 | A52-V78 HydrophobicContact CB-CG1 4.2Å; A52-V78 HydrophobicContact CB-CG2 4.27Å; A52-V78 WeakPolarHBondContact O-CG1 3.16Å; L54-V78 HydrophobicContact CB-CB 3.74Å; L54-V78 HydrophobicContact CB-CG2 3.8Å; L54-V78 HydrophobicContact CD2-CB 4.39Å; L54-V78 HydrophobicContact CD2-CG2 4.42Å; L54-V78 WeakPolarHBondContact CD2-O 3.35Å; T64-V78 HydrophobicContact CG2-CB 3.69Å; T64-V78 HydrophobicContact CG2-CG1 3.89Å; A66-V78 HydrophobicContact CB-CG1 3.64Å; A74-V78 PolarHBondContact O-N 3.42Å; I75-V78 VanDerWaalsContact O-CG2 3.23Å; I75-V78 WeakPolarHBondContact O-CG2 3.1Å; I75-V78 PolarHBondContact O-N 3.07Å; V78-W82 PolarHBondContact O-N 2.97Å; V78-W82 VanDerWaalsContact O-N 3.11Å |
| 79 | Y | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.9 | -32.9 | 173.4 | -81.7 | -91 | 0 | 0 | 0 | 112.7 | K23 A26 E41 L54 I75 V77 W82 L83 | K23-Y79 HydrophobicContact CB-CD1 4.23Å; K23-Y79 HydrophobicContact CB-CD2 3.98Å; K23-Y79 HydrophobicContact CB-CE1 4.5Å; K23-Y79 HydrophobicContact CB-CE2 4.29Å; K23-Y79 HydrophobicContact CB-CG 3.94Å; K23-Y79 HydrophobicContact CD-CD2 4.25Å; K23-Y79 HydrophobicContact CD-CE2 3.78Å; K23-Y79 HydrophobicContact CG-CD1 4.33Å; K23-Y79 HydrophobicContact CG-CD2 4.17Å; K23-Y79 HydrophobicContact CG-CE1 4.09Å; K23-Y79 HydrophobicContact CG-CE2 3.96Å; K23-Y79 HydrophobicContact CG-CG 4.34Å; A26-Y79 HydrophobicContact CB-CD1 3.66Å; A26-Y79 HydrophobicContact CB-CE1 4.16Å; E41-Y79 WeakPolarHBondContact OE2-CE2 3.46Å; E41-Y79 PolarHBondContact OE2-OH 3.25Å; L54-Y79 HydrophobicContact CD1-CE1 4.22Å; L54-Y79 HydrophobicContact CD1-CE2 3.92Å; L54-Y79 HydrophobicContact CD2-CD1 4.31Å; L54-Y79 HydrophobicContact CD2-CD2 4.4Å; L54-Y79 HydrophobicContact CD2-CG 4.27Å; I75-Y79 HydrophobicContact CG2-CD2 3.81Å; I75-Y79 HydrophobicContact CG2-CE2 3.88Å; I75-Y79 WeakPolarHBondContact O-CD2 3.38Å; I75-Y79 PolarHBondContact O-N 3.27Å; V77-Y79 VanDerWaalsContact C-N 3.31Å; V77-Y79 PolarHBondContact O-N 2.81Å; Y79-W82 HydrophobicContact CD1-CE3 4.13Å; Y79-W82 HydrophobicContact CE1-CE3 4.48Å; Y79-W82 PolarHBondContact O-N 3.46Å; Y79-L83 WeakPolarHBondContact O-CB 3.45Å; Y79-L83 WeakPolarHBondContact O-CG 3.37Å; Y79-L83 PolarHBondContact O-N 2.85Å |
| 80 | W | 94.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 175 | 173 | -117.4 | 0 | 0 | 0 | 111.9 | E14 W15 H17 L18 P22 A76 V77 W82 L83 R84 F96 | E14-W80 HydrophobicContact CB-CZ2 3.79Å; E14-W80 WeakPolarHBondContact O-CH2 3.43Å; E14-W80 WeakPolarHBondContact O-CZ2 3.47Å; E14-W80 PolarHBondContact OE2-NE1 2.93Å; W15-W80 HydrophobicContact CB-CD2 3.76Å; W15-W80 HydrophobicContact CB-CE3 3.49Å; W15-W80 VanDerWaalsContact CB-CE3 3.49Å; W15-W80 HydrophobicContact CB-CH2 3.85Å; W15-W80 HydrophobicContact CB-CZ2 4.09Å; W15-W80 HydrophobicContact CB-CZ3 3.56Å; W15-W80 HydrophobicContact CD2-CB 4.31Å; W15-W80 HydrophobicContact CD2-CD2 4.27Å; W15-W80 HydrophobicContact CD2-CG 4.13Å; W15-W80 HydrophobicContact CE3-CB 3.6Å; W15-W80 AromaticContact CE3-CD1 3.3Å; W15-W80 AromaticContact CE3-CD2 3.63Å; W15-W80 HydrophobicContact CE3-CD2 3.63Å; W15-W80 AromaticContact CE3-CE2 3.86Å; W15-W80 HydrophobicContact CE3-CE3 4.45Å; W15-W80 AromaticContact CE3-CG 3.21Å; W15-W80 HydrophobicContact CE3-CG 3.21Å; W15-W80 AromaticContact CE3-NE1 3.62Å; W15-W80 HydrophobicContact CG-CD2 4.39Å; W15-W80 HydrophobicContact CG-CE3 4.4Å; W15-W80 HydrophobicContact CZ3-CB 3.84Å; W15-W80 AromaticContact CZ3-CD1 3.51Å; W15-W80 AromaticContact CZ3-CG 3.7Å; W15-W80 HydrophobicContact CZ3-CG 3.7Å; H17-W80 AromaticContact CE1-CH2 3.78Å; L18-W80 HydrophobicContact CD1-CE3 4.2Å; L18-W80 HydrophobicContact CD1-CZ3 3.82Å; L18-W80 HydrophobicContact CG-CZ3 4.34Å; P22-W80 HydrophobicContact CB-CB 4.18Å; P22-W80 HydrophobicContact CG-CB 4.1Å; P22-W80 HydrophobicContact CG-CE3 4.37Å; A76-W80 WeakPolarHBondContact O-CB 3.29Å; A76-W80 PolarHBondContact O-N 3.17Å; V77-W80 WeakPolarHBondContact O-CB 3.28Å; V77-W80 PolarHBondContact O-N 2.84Å; V77-W80 VanDerWaalsContact O-N 3.07Å; W80-W82 VanDerWaalsContact C-N 3.27Å; W80-W82 PolarHBondContact O-N 2.87Å; W80-L83 HydrophobicContact CE3-CB 4.45Å; W80-L83 HydrophobicContact CE3-CD1 4.42Å; W80-L83 PolarHBondContact O-N 3.41Å; W80-R84 HydrophobicContact CD2-CG 4.3Å; W80-R84 VanDerWaalsContact CE2-NE 3.29Å; W80-R84 HydrophobicContact CZ2-CG 4.13Å; W80-R84 VanDerWaalsContact NE1-CZ 3.27Å; W80-R84 WeakPolarHBondContact O-CB 3.43Å; W80-R84 PolarHBondContact O-N 3.48Å; W80-F96 HydrophobicContact CH2-CE1 4.24Å; W80-F96 AromaticContact CH2-CE2 3.66Å; W80-F96 HydrophobicContact CH2-CE2 3.66Å; W80-F96 AromaticContact CH2-CZ 3.43Å; W80-F96 HydrophobicContact CH2-CZ 3.43Å; W80-F96 VanDerWaalsContact CH2-CZ 3.43Å; W80-F96 HydrophobicContact CZ2-CZ 4.43Å; W80-F96 HydrophobicContact CZ3-CD1 4.5Å; W80-F96 HydrophobicContact CZ3-CD2 4.49Å; W80-F96 AromaticContact CZ3-CE1 3.87Å; W80-F96 HydrophobicContact CZ3-CE1 3.87Å; W80-F96 AromaticContact CZ3-CE2 3.87Å; W80-F96 HydrophobicContact CZ3-CE2 3.87Å; W80-F96 AromaticContact CZ3-CZ 3.51Å; W80-F96 HydrophobicContact CZ3-CZ 3.51Å |
| 81 | E | 94 | Very high | 91.1 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 173.5 | -71.7 | 176.4 | -178.4 | 0 | 0 | 111 | F62 T64 V77 R84 A85 | F62-E81 HydrophobicContact CZ-CB 4.08Å; T64-E81 VanDerWaalsContact CB-OE2 3.31Å; T64-E81 WeakPolarHBondContact CB-OE2 3.31Å; T64-E81 HydrophobicContact CG2-CB 4.3Å; T64-E81 VanDerWaalsContact CG2-OE2 3.29Å; T64-E81 WeakPolarHBondContact CG2-OE2 3.38Å; T64-E81 PolarHBondContact OG1-OE2 2.6Å; V77-E81 HydrophobicContact CG1-CG 4.37Å; V77-E81 WeakPolarHBondContact O-CG 3.24Å; V77-E81 PolarHBondContact O-N 2.91Å; E81-R84 PolarHBondContact O-N 3.2Å; E81-A85 PolarHBondContact O-N 3Å |
| 82 | W | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 173.6 | -173.8 | 43.5 | 0 | 0 | 0 | 112.8 | A26 L30 V39 L54 V56 F62 V78 Y79 W80 R84 A85 L86 | A26-W82 HydrophobicContact CB-CE3 4.1Å; A26-W82 HydrophobicContact CB-CZ3 3.8Å; L30-W82 HydrophobicContact CD1-CH2 3.92Å; L30-W82 HydrophobicContact CD1-CZ3 4.07Å; L30-W82 HydrophobicContact CD2-CH2 3.91Å; L30-W82 HydrophobicContact CG-CH2 4.02Å; V39-W82 HydrophobicContact CG2-CH2 4.37Å; V39-W82 HydrophobicContact CG2-CZ3 4.35Å; L54-W82 HydrophobicContact CD2-CB 3.81Å; L54-W82 HydrophobicContact CD2-CD2 4.48Å; L54-W82 HydrophobicContact CD2-CE3 4.33Å; L54-W82 HydrophobicContact CD2-CG 4.28Å; V56-W82 HydrophobicContact CB-CZ2 4.26Å; V56-W82 HydrophobicContact CG1-CH2 4.01Å; V56-W82 HydrophobicContact CG1-CZ2 3.57Å; V56-W82 HydrophobicContact CG2-CD2 3.94Å; V56-W82 HydrophobicContact CG2-CE3 4.22Å; V56-W82 HydrophobicContact CG2-CG 4.36Å; V56-W82 HydrophobicContact CG2-CZ2 4.26Å; V56-W82 HydrophobicContact CG2-CZ3 4.48Å; F62-W82 HydrophobicContact CD1-CB 3.79Å; F62-W82 AromaticContact CD1-CD1 3.4Å; F62-W82 AromaticContact CD1-CG 3.8Å; F62-W82 HydrophobicContact CD1-CG 3.8Å; F62-W82 HydrophobicContact CE1-CB 3.53Å; F62-W82 AromaticContact CE1-CD1 4Å; F62-W82 HydrophobicContact CE1-CG 4.08Å; F62-W82 AromaticContact CG-CD1 3.54Å; F62-W82 HydrophobicContact CG-CG 4.37Å; F62-W82 HydrophobicContact CZ-CB 4.21Å; V78-W82 PolarHBondContact O-N 2.97Å; V78-W82 VanDerWaalsContact O-N 3.11Å; Y79-W82 HydrophobicContact CD1-CE3 4.13Å; Y79-W82 HydrophobicContact CE1-CE3 4.48Å; Y79-W82 PolarHBondContact O-N 3.46Å; W80-W82 VanDerWaalsContact C-N 3.27Å; W80-W82 PolarHBondContact O-N 2.87Å; W82-R84 VanDerWaalsContact C-N 3.27Å; W82-R84 PolarHBondContact O-N 2.82Å; W82-A85 CarbonylContact O-C 3.58Å; W82-A85 WeakPolarHBondContact O-CA 3.33Å; W82-A85 WeakPolarHBondContact O-CB 3.06Å; W82-A85 PolarHBondContact O-N 3.1Å; W82-L86 HydrophobicContact CD2-CD1 4Å; W82-L86 HydrophobicContact CD2-CG 4.39Å; W82-L86 HydrophobicContact CE3-CD1 4.37Å; W82-L86 HydrophobicContact CH2-CD1 4.19Å; W82-L86 HydrophobicContact CZ2-CD1 3.8Å; W82-L86 HydrophobicContact CZ2-CD2 4.11Å; W82-L86 HydrophobicContact CZ2-CG 4.29Å; W82-L86 HydrophobicContact CZ3-CD1 4.49Å; W82-L86 WeakPolarHBondContact O-CG 3.44Å; W82-L86 PolarHBondContact O-N 2.68Å |
| 83 | L | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -38.8 | 175 | -78.7 | 177.9 | 0 | 0 | 0 | 112.1 | L18 P22 L25 A26 Y79 W80 L86 Q87 F92 F96 | L18-L83 HydrophobicContact CD1-CD1 4.23Å; P22-L83 HydrophobicContact CB-CD1 3.79Å; P22-L83 WeakPolarHBondContact O-CD1 3.41Å; L25-L83 HydrophobicContact CB-CD1 4.44Å; L25-L83 HydrophobicContact CD2-CD1 4.04Å; L25-L83 HydrophobicContact CD2-CD2 4.37Å; A26-L83 HydrophobicContact CB-CD2 4.2Å; Y79-L83 WeakPolarHBondContact O-CB 3.45Å; Y79-L83 WeakPolarHBondContact O-CG 3.37Å; Y79-L83 PolarHBondContact O-N 2.85Å; W80-L83 HydrophobicContact CE3-CB 4.45Å; W80-L83 HydrophobicContact CE3-CD1 4.42Å; W80-L83 PolarHBondContact O-N 3.41Å; L83-L86 HydrophobicContact CD2-CD1 4.25Å; L83-L86 WeakPolarHBondContact O-CB 3.24Å; L83-L86 PolarHBondContact O-N 3.26Å; L83-Q87 WeakPolarHBondContact O-CB 3.45Å; L83-Q87 PolarHBondContact O-N 3.49Å; L83-F92 HydrophobicContact CD2-CD1 4.43Å; L83-F92 HydrophobicContact CD2-CE1 3.95Å; L83-F92 HydrophobicContact CD2-CE2 4.4Å; L83-F92 HydrophobicContact CD2-CZ 3.91Å; L83-F96 HydrophobicContact CB-CD1 4.27Å; L83-F96 HydrophobicContact CB-CE1 4.16Å |
| 84 | R | 93.1 | Very high | 90.7 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 33% | 0.325 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 172.8 | -80.8 | -174.9 | 164.2 | 174.6 | -0.3 | 111.7 | E14 W80 E81 W82 L86 Q87 Q88 F96 | E14-R84 VanDerWaalsContact CD-NH1 3.33Å; E14-R84 IonicContact OE1-CZ 3.29Å; E14-R84 IonicContact OE1-NH1 3.69Å; E14-R84 PolarHBondContact OE1-NH1 3.31Å; E14-R84 IonicContact OE1-NH2 3.97Å; E14-R84 PolarHBondContact OE1-NH2 2.9Å; E14-R84 IonicContact OE2-CZ 3.04Å; E14-R84 VanDerWaalsContact OE2-CZ 3.23Å; E14-R84 IonicContact OE2-NH1 3.26Å; E14-R84 PolarHBondContact OE2-NH1 3.15Å; E14-R84 IonicContact OE2-NH2 3.87Å; E14-R84 PolarHBondContact OE2-NH2 3.43Å; E14-R84 VanDerWaalsContact OE2-NH2 3.14Å; W80-R84 HydrophobicContact CD2-CG 4.3Å; W80-R84 VanDerWaalsContact CE2-NE 3.29Å; W80-R84 HydrophobicContact CZ2-CG 4.13Å; W80-R84 VanDerWaalsContact NE1-CZ 3.27Å; W80-R84 WeakPolarHBondContact O-CB 3.43Å; W80-R84 PolarHBondContact O-N 3.48Å; E81-R84 PolarHBondContact O-N 3.2Å; W82-R84 VanDerWaalsContact C-N 3.27Å; W82-R84 PolarHBondContact O-N 2.82Å; R84-L86 VanDerWaalsContact C-N 3.31Å; R84-L86 PolarHBondContact O-N 3.35Å; R84-Q87 PolarHBondContact O-N 3.39Å; R84-Q88 WeakPolarHBondContact O-CB 3.21Å; R84-Q88 VanDerWaalsContact O-CG 3.29Å; R84-Q88 WeakPolarHBondContact O-CG 3.48Å; R84-Q88 PolarHBondContact O-N 3.45Å; R84-F96 HydrophobicContact CG-CZ 4.45Å |
| 85 | A | 91.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F60 F62 E81 W82 Q88 A89 | F60-A85 HydrophobicContact CE2-CB 4.02Å; F60-A85 HydrophobicContact CZ-CB 3.92Å; F62-A85 HydrophobicContact CD2-CB 3.75Å; F62-A85 HydrophobicContact CE2-CB 3.57Å; F62-A85 HydrophobicContact CZ-CB 4.36Å; E81-A85 PolarHBondContact O-N 3Å; W82-A85 CarbonylContact O-C 3.58Å; W82-A85 WeakPolarHBondContact O-CA 3.33Å; W82-A85 WeakPolarHBondContact O-CB 3.06Å; W82-A85 PolarHBondContact O-N 3.1Å; A85-Q88 PolarHBondContact O-N 3.33Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3Å; A85-A89 PolarHBondContact O-N 3.31Å |
| 86 | L | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.5 | -70.1 | 175.8 | 0 | 0 | 0 | 112 | F29 P59 F60 W82 L83 R84 A89 G90 V91 F92 | F29-L86 HydrophobicContact CD1-CD1 4.38Å; F29-L86 HydrophobicContact CE1-CD1 4.28Å; P59-L86 VanDerWaalsContact CD-CD2 3.49Å; P59-L86 HydrophobicContact CG-CD2 3.49Å; P59-L86 VanDerWaalsContact CG-CD2 3.49Å; F60-L86 HydrophobicContact CE1-CD2 3.99Å; F60-L86 HydrophobicContact CZ-CD2 4.11Å; W82-L86 HydrophobicContact CD2-CD1 4Å; W82-L86 HydrophobicContact CD2-CG 4.39Å; W82-L86 HydrophobicContact CE3-CD1 4.37Å; W82-L86 HydrophobicContact CH2-CD1 4.19Å; W82-L86 HydrophobicContact CZ2-CD1 3.8Å; W82-L86 HydrophobicContact CZ2-CD2 4.11Å; W82-L86 HydrophobicContact CZ2-CG 4.29Å; W82-L86 HydrophobicContact CZ3-CD1 4.49Å; W82-L86 WeakPolarHBondContact O-CG 3.44Å; W82-L86 PolarHBondContact O-N 2.68Å; L83-L86 HydrophobicContact CD2-CD1 4.25Å; L83-L86 WeakPolarHBondContact O-CB 3.24Å; L83-L86 PolarHBondContact O-N 3.26Å; R84-L86 VanDerWaalsContact C-N 3.31Å; R84-L86 PolarHBondContact O-N 3.35Å; L86-A89 CarbonylContact O-C 3.58Å; L86-A89 PolarHBondContact O-N 2.82Å; L86-G90 PolarHBondContact O-N 3.26Å; L86-V91 HydrophobicContact CB-CB 4.18Å; L86-V91 HydrophobicContact CD2-CB 4.16Å; L86-V91 HydrophobicContact CD2-CG1 4.18Å; L86-V91 HydrophobicContact CD2-CG2 4.13Å; L86-V91 WeakPolarHBondContact O-CB 3.49Å; L86-V91 PolarHBondContact O-N 3.06Å; L86-F92 HydrophobicContact CB-CD2 3.84Å; L86-F92 HydrophobicContact CB-CE2 4.36Å; L86-F92 HydrophobicContact CD1-CD2 4.15Å; L86-F92 HydrophobicContact CD1-CE2 3.81Å |
| 87 | Q | 90.7 | Very high | 89.7 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.6 | -178.4 | 179.9 | 57.5 | 0 | 0 | 111.4 | L83 R84 A89 G90 F92 D93 F96 | L83-Q87 WeakPolarHBondContact O-CB 3.45Å; L83-Q87 PolarHBondContact O-N 3.49Å; R84-Q87 PolarHBondContact O-N 3.39Å; Q87-A89 PolarHBondContact O-N 2.98Å; Q87-G90 PolarHBondContact O-N 3.12Å; Q87-F92 HydrophobicContact CB-CB 4.25Å; Q87-D93 PolarHBondContact NE2-O 3.33Å; Q87-F96 HydrophobicContact CB-CD1 4.4Å; Q87-F96 HydrophobicContact CB-CE1 3.93Å; Q87-F96 HydrophobicContact CG-CE1 4.4Å |
| 88 | Q | 88 | Confident | 89.2 | Confident | 167 Ų | 167 | 47.2 Ų | 47.2 | 78% | 0.78 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.3 | -32.9 | 175.5 | -74 | 176 | 7 | 0 | 0 | 112.5 | R84 A85 G90 | R84-Q88 WeakPolarHBondContact O-CB 3.21Å; R84-Q88 VanDerWaalsContact O-CG 3.29Å; R84-Q88 WeakPolarHBondContact O-CG 3.48Å; R84-Q88 PolarHBondContact O-N 3.45Å; A85-Q88 PolarHBondContact O-N 3.33Å; Q88-G90 PolarHBondContact O-N 3.49Å |
| 89 | A | 87.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -1.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | F60 A85 L86 Q87 V91 | F60-A89 HydrophobicContact CD1-CB 4.18Å; F60-A89 HydrophobicContact CE1-CB 3.41Å; F60-A89 VanDerWaalsContact CE1-CB 3.41Å; F60-A89 HydrophobicContact CZ-CB 4.05Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3Å; A85-A89 PolarHBondContact O-N 3.31Å; L86-A89 CarbonylContact O-C 3.58Å; L86-A89 PolarHBondContact O-N 2.82Å; Q87-A89 PolarHBondContact O-N 2.98Å; A89-V91 VanDerWaalsContact C-N 3.32Å; A89-V91 HydrophobicContact CB-CG2 4.12Å; A89-V91 PolarHBondContact O-N 2.91Å |
| 90 | G | 85 | Confident | 87.9 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 10.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | L86 Q87 Q88 F92 | L86-G90 PolarHBondContact O-N 3.26Å; Q87-G90 PolarHBondContact O-N 3.12Å; Q88-G90 PolarHBondContact O-N 3.49Å; G90-F92 VanDerWaalsContact C-N 3.29Å |
| 91 | V | 85.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -75.3 | -25.3 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | F29 P59 L86 A89 V99 I983 | F29-V91 HydrophobicContact CE1-CG1 4.05Å; F29-V91 HydrophobicContact CE2-CG1 3.86Å; F29-V91 HydrophobicContact CZ-CG1 3.33Å; P59-V91 HydrophobicContact CG-CG2 3.93Å; L86-V91 HydrophobicContact CB-CB 4.18Å; L86-V91 HydrophobicContact CD2-CB 4.16Å; L86-V91 HydrophobicContact CD2-CG1 4.18Å; L86-V91 HydrophobicContact CD2-CG2 4.13Å; L86-V91 WeakPolarHBondContact O-CB 3.49Å; L86-V91 PolarHBondContact O-N 3.06Å; A89-V91 VanDerWaalsContact C-N 3.32Å; A89-V91 HydrophobicContact CB-CG2 4.12Å; A89-V91 PolarHBondContact O-N 2.91Å; V91-V99 PolarHBondContact O-N 3.47Å; V91-I983 HydrophobicContact CG2-CD1 4.49Å; V91-I983 HydrophobicContact CG2-CG2 4.08Å |
| 92 | F | 87.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -125.1 | 142.3 | 176.9 | -83.8 | -114.3 | 0 | 0 | 0 | 109.1 | L25 F29 L83 L86 Q87 G90 F96 K97 P98 | L25-F92 HydrophobicContact CD2-CE1 4.16Å; L25-F92 HydrophobicContact CG-CE1 4.09Å; F29-F92 HydrophobicContact CB-CE2 4.15Å; F29-F92 HydrophobicContact CB-CZ 3.68Å; F29-F92 AromaticContact CD1-CE2 3.77Å; F29-F92 HydrophobicContact CD1-CE2 3.77Å; F29-F92 HydrophobicContact CD1-CZ 4.15Å; F29-F92 AromaticContact CD2-CE2 3.92Å; F29-F92 HydrophobicContact CD2-CE2 3.92Å; F29-F92 HydrophobicContact CD2-CZ 4.17Å; F29-F92 HydrophobicContact CE1-CE2 4.09Å; F29-F92 HydrophobicContact CE2-CE2 4.22Å; F29-F92 AromaticContact CG-CE2 3.67Å; F29-F92 HydrophobicContact CG-CE2 3.67Å; F29-F92 AromaticContact CG-CZ 3.74Å; F29-F92 HydrophobicContact CG-CZ 3.74Å; F29-F92 HydrophobicContact CZ-CE2 4.3Å; L83-F92 HydrophobicContact CD2-CD1 4.43Å; L83-F92 HydrophobicContact CD2-CE1 3.95Å; L83-F92 HydrophobicContact CD2-CE2 4.4Å; L83-F92 HydrophobicContact CD2-CZ 3.91Å; L86-F92 HydrophobicContact CB-CD2 3.84Å; L86-F92 HydrophobicContact CB-CE2 4.36Å; L86-F92 HydrophobicContact CD1-CD2 4.15Å; L86-F92 HydrophobicContact CD1-CE2 3.81Å; Q87-F92 HydrophobicContact CB-CB 4.25Å; G90-F92 VanDerWaalsContact C-N 3.29Å; F92-F96 HydrophobicContact CD1-CB 4.02Å; F92-F96 HydrophobicContact CD1-CD1 4.39Å; F92-F96 WeakPolarHBondContact CD1-O 3.39Å; F92-F96 WeakPolarHBondContact CE1-O 3.38Å; F92-K97 WeakPolarHBondContact CA-O 3.47Å; F92-P98 HydrophobicContact CE1-CG 3.93Å; F92-P98 HydrophobicContact CE2-CG 4.47Å; F92-P98 HydrophobicContact CZ-CB 4.41Å; F92-P98 HydrophobicContact CZ-CG 3.86Å |
| 93 | D | 84.9 | Confident | 86.1 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | trans | -77.2 | -177.9 | 175.4 | 71.8 | 7.9 | 0 | 0 | 0 | 112.6 | Q87 Q95 F96 K97 V99 | Q87-D93 PolarHBondContact NE2-O 3.33Å; D93-Q95 PolarHBondContact O-N 3.28Å; D93-Q95 VanDerWaalsContact O-N 3.11Å; D93-Q95 VanDerWaalsContact OD1-C 3.29Å; D93-Q95 VanDerWaalsContact OD1-CA 3.3Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.24Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.34Å; D93-Q95 PolarHBondContact OD1-N 3.08Å; D93-F96 PolarHBondContact O-N 3.45Å; D93-F96 PolarHBondContact OD1-N 2.92Å; D93-K97 PolarHBondContact N-O 3.15Å; D93-K97 PolarHBondContact OD1-N 3.31Å; D93-V99 HydrophobicContact CB-CG2 3.9Å | ||
| 94 | D | 85 | Confident | 85.7 | Confident | 152 Ų | 152 | 61.1 Ų | 61.1 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.5 | 177.5 | -67.1 | -27.1 | 0 | 0 | 0 | 113.5 | ||
| 95 | Q | 84.1 | Confident | 85.2 | Confident | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 6.9 | 176.7 | -61.9 | -177.9 | -1.1 | 0 | 0 | 112.8 | D93 K97 | D93-Q95 PolarHBondContact O-N 3.28Å; D93-Q95 VanDerWaalsContact O-N 3.11Å; D93-Q95 VanDerWaalsContact OD1-C 3.29Å; D93-Q95 VanDerWaalsContact OD1-CA 3.3Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.24Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.34Å; D93-Q95 PolarHBondContact OD1-N 3.08Å; Q95-K97 VanDerWaalsContact C-N 3.26Å; Q95-K97 PolarHBondContact O-N 2.94Å |
| 96 | F | 86.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | trans | 54.7 | 38.6 | -171 | -64.5 | -90.4 | 0 | 0 | 0 | 113.6 | H17 L18 L25 W80 L83 R84 Q87 F92 D93 | H17-F96 AromaticContact NE2-CD2 3.63Å; H17-F96 AromaticContact NE2-CE2 3.51Å; L18-F96 HydrophobicContact CD2-CB 3.68Å; L18-F96 HydrophobicContact CD2-CD2 3.62Å; L18-F96 HydrophobicContact CD2-CE2 4.44Å; L18-F96 HydrophobicContact CD2-CG 3.79Å; L25-F96 HydrophobicContact CD2-CB 3.91Å; W80-F96 HydrophobicContact CH2-CE1 4.24Å; W80-F96 AromaticContact CH2-CE2 3.66Å; W80-F96 HydrophobicContact CH2-CE2 3.66Å; W80-F96 AromaticContact CH2-CZ 3.43Å; W80-F96 HydrophobicContact CH2-CZ 3.43Å; W80-F96 VanDerWaalsContact CH2-CZ 3.43Å; W80-F96 HydrophobicContact CZ2-CZ 4.43Å; W80-F96 HydrophobicContact CZ3-CD1 4.5Å; W80-F96 HydrophobicContact CZ3-CD2 4.49Å; W80-F96 AromaticContact CZ3-CE1 3.87Å; W80-F96 HydrophobicContact CZ3-CE1 3.87Å; W80-F96 AromaticContact CZ3-CE2 3.87Å; W80-F96 HydrophobicContact CZ3-CE2 3.87Å; W80-F96 AromaticContact CZ3-CZ 3.51Å; W80-F96 HydrophobicContact CZ3-CZ 3.51Å; L83-F96 HydrophobicContact CB-CD1 4.27Å; L83-F96 HydrophobicContact CB-CE1 4.16Å; R84-F96 HydrophobicContact CG-CZ 4.45Å; Q87-F96 HydrophobicContact CB-CD1 4.4Å; Q87-F96 HydrophobicContact CB-CE1 3.93Å; Q87-F96 HydrophobicContact CG-CE1 4.4Å; F92-F96 HydrophobicContact CD1-CB 4.02Å; F92-F96 HydrophobicContact CD1-CD1 4.39Å; F92-F96 WeakPolarHBondContact CD1-O 3.39Å; F92-F96 WeakPolarHBondContact CE1-O 3.38Å; D93-F96 PolarHBondContact O-N 3.45Å; D93-F96 PolarHBondContact OD1-N 2.92Å | ||
| 97 | K | 83.5 | Confident | 84.7 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | trans | -89.6 | 138 | 162.7 | -67.6 | 172.4 | 178.1 | 156 | 0 | 109.7 | F92 D93 Q95 V99 | F92-K97 WeakPolarHBondContact CA-O 3.47Å; D93-K97 PolarHBondContact N-O 3.15Å; D93-K97 PolarHBondContact OD1-N 3.31Å; Q95-K97 VanDerWaalsContact C-N 3.26Å; Q95-K97 PolarHBondContact O-N 2.94Å; K97-V99 PolarHBondContact O-N 2.91Å | ||
| 98 | P | 81.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 22% | 0.221 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 126.9 | 173.6 | -22.1 | 32.1 | 0 | 0 | 0 | 111.4 | F29 F92 F100 | F29-P98 HydrophobicContact CB-CG 4.26Å; F29-P98 HydrophobicContact CD2-CB 3.73Å; F29-P98 HydrophobicContact CD2-CG 4.02Å; F29-P98 HydrophobicContact CE2-CB 4.25Å; F92-P98 HydrophobicContact CE1-CG 3.93Å; F92-P98 HydrophobicContact CE2-CG 4.47Å; F92-P98 HydrophobicContact CZ-CB 4.41Å; F92-P98 HydrophobicContact CZ-CG 3.86Å; P98-F100 HydrophobicContact CB-CD2 4.41Å; P98-F100 HydrophobicContact CB-CE1 4.37Å; P98-F100 HydrophobicContact CB-CE2 3.81Å; P98-F100 HydrophobicContact CB-CZ 3.77Å; P98-F100 HydrophobicContact CG-CZ 4.41Å |
| 99 | V | 82.2 | Confident | 84.4 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | trans | -96.3 | 100.7 | 170.3 | -179 | 0 | 0 | 0 | 0 | 107 | V91 D93 K97 H101 | V91-V99 PolarHBondContact O-N 3.47Å; D93-V99 HydrophobicContact CB-CG2 3.9Å; K97-V99 PolarHBondContact O-N 2.91Å; V99-H101 WeakPolarHBondContact CG1-O 3.44Å | ||
| 100 | F | 81.5 | Confident | 84.3 | Confident | 29 Ų | 29 | 60 Ų | 60 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -77.6 | -35.3 | 179.5 | -66.3 | -75.2 | 0 | 0 | 0 | 112.6 | F29 V32 P98 R814 K816 | F29-F100 HydrophobicContact CD2-CE1 4.35Å; F29-F100 HydrophobicContact CE2-CE1 4.4Å; V32-F100 HydrophobicContact CB-CE1 4.32Å; V32-F100 HydrophobicContact CB-CZ 3.99Å; V32-F100 HydrophobicContact CG1-CE1 3.67Å; V32-F100 HydrophobicContact CG1-CE2 4.16Å; V32-F100 HydrophobicContact CG1-CZ 3.32Å; P98-F100 HydrophobicContact CB-CD2 4.41Å; P98-F100 HydrophobicContact CB-CE1 4.37Å; P98-F100 HydrophobicContact CB-CE2 3.81Å; P98-F100 HydrophobicContact CB-CZ 3.77Å; P98-F100 HydrophobicContact CG-CZ 4.41Å; F100-R814 HydrophobicContact CE2-CB 4.49Å; F100-K816 HydrophobicContact CB-CB 3.92Å; F100-K816 HydrophobicContact CB-CG 4.01Å; F100-K816 HydrophobicContact CD1-CD 4.26Å; F100-K816 HydrophobicContact CD2-CB 3.93Å; F100-K816 HydrophobicContact CG-CB 3.97Å; F100-K816 HydrophobicContact CG-CD 4.25Å; F100-K816 HydrophobicContact CG-CG 4.1Å |
| 101 | H | 81 | Confident | 84.2 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 13% | 0.13 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -144 | 146.2 | 176.9 | -60.7 | 85.4 | 0 | 0 | 0 | 108.5 | V99 E105 I106 I817 | V99-H101 WeakPolarHBondContact CG1-O 3.44Å; H101-E105 WeakPolarHBondContact CA-OE2 3.15Å; H101-E105 HydrophobicContact CB-CB 4.13Å; H101-E105 WeakPolarHBondContact CB-OE2 3.38Å; H101-E105 IonicContact CD2-OE2 3.23Å; H101-E105 IonicContact CG-OE2 3.14Å; H101-I106 HydrophobicContact CB-CG1 4.22Å; H101-I817 HydrophobicContact CB-CD1 4.24Å; H101-I817 HydrophobicContact CB-CG1 4.39Å; H101-I817 PolarHBondContact CE1-N 2.88Å; H101-I817 VanDerWaalsContact CE1-N 3.34Å; H101-I817 PolarHBondContact ND1-N 3.33Å; H101-I817 VanDerWaalsContact ND1-N 3.16Å |
| 102 | S | 80.9 | Confident | 84 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | trans | -68.5 | 160.9 | 176.1 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | E104 E105 I106 | S102-E104 WeakPolarHBondContact CB-OE2 3.06Å; S102-E104 PolarHBondContact O-N 3.39Å; S102-E104 PolarHBondContact OG-OE2 3.35Å; S102-E105 PolarHBondContact N-OE2 3.11Å; S102-E105 PolarHBondContact O-N 3.38Å; S102-E105 WeakPolarHBondContact OG-CB 3.37Å; S102-E105 VanDerWaalsContact OG-CG 3.24Å; S102-E105 WeakPolarHBondContact OG-CG 3.41Å; S102-E105 PolarHBondContact OG-N 2.97Å; S102-I106 WeakPolarHBondContact O-CG1 3.45Å; S102-I106 PolarHBondContact O-N 2.72Å | ||
| 103 | E | 82.9 | Confident | 83.6 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 174.3 | -177.4 | 59.7 | -150.8 | 0 | 0 | 110.6 | I106 Q107 R110 | E103-I106 PolarHBondContact O-N 3.26Å; E103-Q107 HydrophobicContact CG-CG 4.49Å; E103-Q107 WeakPolarHBondContact O-CB 3.33Å; E103-Q107 VanDerWaalsContact O-CG 3.23Å; E103-Q107 WeakPolarHBondContact O-CG 3.33Å; E103-Q107 PolarHBondContact O-N 3.36Å; E103-Q107 PolarHBondContact OE1-NE2 3.37Å; E103-R110 IonicContact OE1-NH1 3.43Å |
| 104 | E | 85.1 | Confident | 83.3 | Confident | 136 Ų | 136 | 71.8 Ų | 71.8 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 172.1 | -64.8 | 74.5 | -161.1 | 0 | 0 | 111.7 | S102 Q107 E108 | S102-E104 WeakPolarHBondContact CB-OE2 3.06Å; S102-E104 PolarHBondContact O-N 3.39Å; S102-E104 PolarHBondContact OG-OE2 3.35Å; E104-Q107 PolarHBondContact O-N 3.22Å; E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 2.9Å |
| 105 | E | 83.3 | Confident | 83.2 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.4 | -75.3 | 167.8 | 166.4 | 0 | 0 | 111.5 | H101 S102 Q107 E108 F109 S982 | H101-E105 WeakPolarHBondContact CA-OE2 3.15Å; H101-E105 HydrophobicContact CB-CB 4.13Å; H101-E105 WeakPolarHBondContact CB-OE2 3.38Å; H101-E105 IonicContact CD2-OE2 3.23Å; H101-E105 IonicContact CG-OE2 3.14Å; S102-E105 PolarHBondContact N-OE2 3.11Å; S102-E105 PolarHBondContact O-N 3.38Å; S102-E105 WeakPolarHBondContact OG-CB 3.37Å; S102-E105 VanDerWaalsContact OG-CG 3.24Å; S102-E105 WeakPolarHBondContact OG-CG 3.41Å; S102-E105 PolarHBondContact OG-N 2.97Å; E105-Q107 VanDerWaalsContact C-N 3.35Å; E105-E108 PolarHBondContact O-N 3Å; E105-F109 VanDerWaalsContact O-CB 3.27Å; E105-F109 WeakPolarHBondContact O-CB 3.44Å; E105-F109 PolarHBondContact O-N 3.12Å; E105-S982 WeakPolarHBondContact OE1-CB 3.23Å |
| 106 | I | 85.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.4 | -69.7 | 169.9 | 0 | 0 | 0 | 110.9 | H101 S102 E103 F109 R110 V811 G815 | H101-I106 HydrophobicContact CB-CG1 4.22Å; S102-I106 WeakPolarHBondContact O-CG1 3.45Å; S102-I106 PolarHBondContact O-N 2.72Å; E103-I106 PolarHBondContact O-N 3.26Å; I106-F109 PolarHBondContact O-N 3.24Å; I106-R110 WeakPolarHBondContact O-CB 3.37Å; I106-R110 VanDerWaalsContact O-CG 3.26Å; I106-R110 WeakPolarHBondContact O-CG 3.44Å; I106-R110 PolarHBondContact O-N 2.91Å; I106-V811 HydrophobicContact CD1-CG1 4.5Å; I106-V811 HydrophobicContact CG2-CG1 4.42Å; I106-V811 HydrophobicContact CG2-CG2 4.15Å; I106-G815 WeakPolarHBondContact CD1-O 3.31Å |
| 107 | Q | 86.2 | Confident | 83.3 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 176.3 | -76 | -179.5 | 23.1 | 0 | 0 | 111.8 | E103 E104 E105 F109 R110 R111 | E103-Q107 HydrophobicContact CG-CG 4.49Å; E103-Q107 WeakPolarHBondContact O-CB 3.33Å; E103-Q107 VanDerWaalsContact O-CG 3.23Å; E103-Q107 WeakPolarHBondContact O-CG 3.33Å; E103-Q107 PolarHBondContact O-N 3.36Å; E103-Q107 PolarHBondContact OE1-NE2 3.37Å; E104-Q107 PolarHBondContact O-N 3.22Å; E105-Q107 VanDerWaalsContact C-N 3.35Å; Q107-F109 VanDerWaalsContact C-N 3.35Å; Q107-R110 PolarHBondContact O-N 3.43Å; Q107-R111 VanDerWaalsContact O-CG 3.3Å; Q107-R111 WeakPolarHBondContact O-CG 3.26Å; Q107-R111 PolarHBondContact O-N 3Å |
| 108 | E | 87.1 | Confident | 83.6 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 174 | -169.9 | 176.1 | -176.1 | 0 | 0 | 110.9 | E104 E105 R110 R111 F112 F977 | E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 2.9Å; E105-E108 PolarHBondContact O-N 3Å; E108-R110 PolarHBondContact O-N 3.41Å; E108-R111 WeakPolarHBondContact O-CB 3.06Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-F112 WeakPolarHBondContact O-CB 3.36Å; E108-F112 PolarHBondContact O-N 3.35Å; E108-F977 HydrophobicContact CG-CE2 4.26Å |
| 109 | F | 85.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.2 | 177.9 | -106 | 0 | 0 | 0 | 112.6 | E105 I106 Q107 R111 F112 Q113 V811 I817 F977 | E105-F109 VanDerWaalsContact O-CB 3.27Å; E105-F109 WeakPolarHBondContact O-CB 3.44Å; E105-F109 PolarHBondContact O-N 3.12Å; I106-F109 PolarHBondContact O-N 3.24Å; Q107-F109 VanDerWaalsContact C-N 3.35Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 3.09Å; F109-F112 WeakPolarHBondContact O-CB 3.3Å; F109-F112 PolarHBondContact O-N 3.28Å; F109-Q113 HydrophobicContact CE1-CG 4.12Å; F109-Q113 HydrophobicContact CE2-CG 4.29Å; F109-Q113 VanDerWaalsContact CZ-CD 3.45Å; F109-Q113 HydrophobicContact CZ-CG 4Å; F109-Q113 WeakPolarHBondContact O-CG 3.47Å; F109-Q113 PolarHBondContact O-N 2.9Å; F109-V811 HydrophobicContact CD1-CG2 3.68Å; F109-V811 HydrophobicContact CE1-CG2 3.84Å; F109-I817 HydrophobicContact CB-CD1 3.66Å; F109-I817 HydrophobicContact CB-CG1 4.43Å; F109-I817 HydrophobicContact CD1-CD1 4.41Å; F109-I817 HydrophobicContact CD1-CG1 4.31Å; F109-I817 HydrophobicContact CD1-CG2 4.22Å; F109-I817 HydrophobicContact CD2-CD1 4.31Å; F109-I817 HydrophobicContact CD2-CG2 3.73Å; F109-I817 HydrophobicContact CE1-CG2 4.11Å; F109-I817 HydrophobicContact CE2-CG2 3.62Å; F109-I817 HydrophobicContact CG-CD1 3.88Å; F109-I817 HydrophobicContact CG-CG1 4.23Å; F109-I817 HydrophobicContact CG-CG2 4.02Å; F109-I817 HydrophobicContact CZ-CG2 3.81Å; F109-F977 HydrophobicContact CB-CE1 4.11Å; F109-F977 HydrophobicContact CB-CE2 3.99Å; F109-F977 HydrophobicContact CB-CZ 3.67Å; F109-F977 AromaticContact CD2-CD1 3.65Å; F109-F977 HydrophobicContact CD2-CD1 3.65Å; F109-F977 HydrophobicContact CD2-CD2 4.15Å; F109-F977 AromaticContact CD2-CE1 3.72Å; F109-F977 HydrophobicContact CD2-CE1 3.72Å; F109-F977 HydrophobicContact CD2-CE2 4.22Å; F109-F977 AromaticContact CD2-CG 3.86Å; F109-F977 HydrophobicContact CD2-CG 3.86Å; F109-F977 HydrophobicContact CD2-CZ 4.01Å; F109-F977 HydrophobicContact CE2-CD1 4.28Å; F109-F977 HydrophobicContact CE2-CG 4.46Å; F109-F977 HydrophobicContact CG-CE1 4.37Å; F109-F977 HydrophobicContact CG-CZ 4.35Å |
| 110 | R | 84.6 | Confident | 84.4 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 175.7 | -74.9 | 172.2 | -176.9 | 161.8 | 5.3 | 111.9 | E103 I106 Q107 E108 Q113 L114 | E103-R110 IonicContact OE1-NH1 3.43Å; I106-R110 WeakPolarHBondContact O-CB 3.37Å; I106-R110 VanDerWaalsContact O-CG 3.26Å; I106-R110 WeakPolarHBondContact O-CG 3.44Å; I106-R110 PolarHBondContact O-N 2.91Å; Q107-R110 PolarHBondContact O-N 3.43Å; E108-R110 PolarHBondContact O-N 3.41Å; R110-Q113 PolarHBondContact O-N 2.94Å; R110-L114 WeakPolarHBondContact O-CG 3.45Å; R110-L114 PolarHBondContact O-N 2.75Å |
| 111 | R | 83.2 | Confident | 84.9 | Confident | 174 Ų | 174 | 57.4 Ų | 57.4 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | 173.6 | -72.7 | 173.6 | -171 | 178.8 | 6 | 110.6 | Q107 E108 F109 Q113 L114 T115 | Q107-R111 VanDerWaalsContact O-CG 3.3Å; Q107-R111 WeakPolarHBondContact O-CG 3.26Å; Q107-R111 PolarHBondContact O-N 3Å; E108-R111 WeakPolarHBondContact O-CB 3.06Å; E108-R111 PolarHBondContact O-N 3.31Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 3.09Å; R111-Q113 VanDerWaalsContact C-N 3.28Å; R111-Q113 PolarHBondContact O-N 3.43Å; R111-L114 CarbonylContact O-C 3.52Å; R111-L114 WeakPolarHBondContact O-CA 3.24Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 2.93Å; R111-T115 PolarHBondContact O-N 2.9Å; R111-T115 VanDerWaalsContact O-N 3.07Å; R111-T115 PolarHBondContact O-OG1 3.21Å |
| 112 | F | 82.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.3 | -42.7 | 175 | 174.5 | -88.9 | 0 | 0 | 0 | 112.1 | E108 F109 L114 T115 A975 F977 | E108-F112 WeakPolarHBondContact O-CB 3.36Å; E108-F112 PolarHBondContact O-N 3.35Å; F109-F112 WeakPolarHBondContact O-CB 3.3Å; F109-F112 PolarHBondContact O-N 3.28Å; F112-L114 PolarHBondContact O-N 3.15Å; F112-T115 VanDerWaalsContact O-CB 3.28Å; F112-T115 WeakPolarHBondContact O-CB 3.46Å; F112-T115 PolarHBondContact O-N 3.46Å; F112-T115 PolarHBondContact O-OG1 3.13Å; F112-A975 HydrophobicContact CE2-CB 3.75Å; F112-A975 HydrophobicContact CZ-CB 3.87Å; F112-A975 WeakPolarHBondContact CZ-O 3.49Å; F112-F977 HydrophobicContact CB-CD2 3.63Å; F112-F977 HydrophobicContact CB-CE2 4.12Å; F112-F977 HydrophobicContact CD1-CB 3.66Å; F112-F977 AromaticContact CD1-CD2 3.93Å; F112-F977 HydrophobicContact CD1-CD2 3.93Å; F112-F977 HydrophobicContact CD1-CG 4.14Å; F112-F977 HydrophobicContact CD2-CB 4.18Å; F112-F977 AromaticContact CD2-CD2 3.92Å; F112-F977 HydrophobicContact CD2-CD2 3.92Å; F112-F977 HydrophobicContact CE1-CB 3.59Å; F112-F977 HydrophobicContact CE2-CB 4.08Å; F112-F977 HydrophobicContact CG-CB 3.98Å; F112-F977 AromaticContact CG-CD2 3.53Å; F112-F977 HydrophobicContact CG-CD2 3.53Å; F112-F977 HydrophobicContact CG-CE2 4.48Å; F112-F977 HydrophobicContact CG-CG 4.18Å; F112-F977 HydrophobicContact CZ-CB 3.8Å |
| 113 | Q | 79.2 | Confident | 86.3 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.8 | 177 | -75 | -172 | -36.8 | 0 | 0 | 114.6 | F109 R110 R111 R808 G809 | F109-Q113 HydrophobicContact CE1-CG 4.12Å; F109-Q113 HydrophobicContact CE2-CG 4.29Å; F109-Q113 VanDerWaalsContact CZ-CD 3.45Å; F109-Q113 HydrophobicContact CZ-CG 4Å; F109-Q113 WeakPolarHBondContact O-CG 3.47Å; F109-Q113 PolarHBondContact O-N 2.9Å; R110-Q113 PolarHBondContact O-N 2.94Å; R111-Q113 VanDerWaalsContact C-N 3.28Å; R111-Q113 PolarHBondContact O-N 3.43Å; Q113-R808 PolarHBondContact NE2-O 3.41Å; Q113-G809 PolarHBondContact NE2-O 3.4Å |
| 114 | L | 78.8 | Confident | 87 | Confident | 108 Ų | 108 | 60 Ų | 60 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -11.8 | 175.3 | -66.5 | 172.9 | 0 | 0 | 0 | 112.3 | R110 R111 F112 P116 | R110-L114 WeakPolarHBondContact O-CG 3.45Å; R110-L114 PolarHBondContact O-N 2.75Å; R111-L114 CarbonylContact O-C 3.52Å; R111-L114 WeakPolarHBondContact O-CA 3.24Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 2.93Å; F112-L114 PolarHBondContact O-N 3.15Å; L114-P116 VanDerWaalsContact O-CD 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.49Å |
| 115 | T | 82.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -59.4 | 120.1 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | R111 F112 | R111-T115 PolarHBondContact O-N 2.9Å; R111-T115 VanDerWaalsContact O-N 3.07Å; R111-T115 PolarHBondContact O-OG1 3.21Å; F112-T115 VanDerWaalsContact O-CB 3.28Å; F112-T115 WeakPolarHBondContact O-CB 3.46Å; F112-T115 PolarHBondContact O-N 3.46Å; F112-T115 PolarHBondContact O-OG1 3.13Å |
| 116 | P | 85.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.5 | 176.4 | -21 | 33.4 | 0 | 0 | 0 | 110.5 | L114 I901 R911 Q913 | L114-P116 VanDerWaalsContact O-CD 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-I901 HydrophobicContact CG-CD1 4.08Å; P116-I901 HydrophobicContact CG-CG1 4.35Å; P116-I901 HydrophobicContact CG-CG2 4.28Å; P116-R911 HydrophobicContact CB-CB 3.78Å; P116-R911 HydrophobicContact CG-CB 3.75Å; P116-Q913 HydrophobicContact CB-CB 4.13Å |
| 117 | P | 86.6 | Confident | 88.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 144.3 | 169 | 25.3 | -35.3 | 0 | 0 | 0 | 110.1 | R911 L912 Q913 Q972 | P117-R911 WeakPolarHBondContact CD-O 3.49Å; P117-L912 WeakPolarHBondContact O-CD1 3.47Å; P117-Q913 PolarHBondContact O-N 3.04Å; P117-Q972 HydrophobicContact CB-CB 4.04Å; P117-Q972 HydrophobicContact CB-CG 4.36Å |
| 118 | K | 89.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 27% | 0.265 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -97.6 | 138.4 | 179.5 | -178.7 | -176 | 176.7 | 178 | 0 | 111 | Q913 D915 Q972 S973 | K118-Q913 CarbonylContact C-O 3.51Å; K118-Q913 VanDerWaalsContact CA-O 3.31Å; K118-Q913 WeakPolarHBondContact CA-O 3.46Å; K118-Q913 HydrophobicContact CB-CB 4.26Å; K118-Q913 HydrophobicContact CB-CG 4.44Å; K118-Q913 HydrophobicContact CG-CG 4.37Å; K118-D915 WeakPolarHBondContact CE-OD1 3.4Å; K118-D915 WeakPolarHBondContact CE-OD2 3.34Å; K118-D915 IonicContact NZ-OD1 2.8Å; K118-D915 PolarHBondContact NZ-OD1 3.31Å; K118-D915 IonicContact NZ-OD2 3.65Å; K118-D915 PolarHBondContact NZ-OD2 3.37Å; K118-Q972 CarbonylContact O-C 3.54Å; K118-Q972 VanDerWaalsContact O-CA 3.29Å; K118-Q972 WeakPolarHBondContact O-CA 3.45Å; K118-S973 WeakPolarHBondContact CB-OG 3.26Å; K118-S973 PolarHBondContact N-OG 3.01Å; K118-S973 PolarHBondContact O-N 3.5Å; K118-S973 PolarHBondContact O-OG 3.08Å |
| 119 | V | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -124.7 | 128.4 | 165.9 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | P877 I878 L912 Q913 L970 Q972 | V119-P877 HydrophobicContact CG2-CG 3.61Å; V119-I878 HydrophobicContact CB-CD1 4.47Å; V119-I878 HydrophobicContact CG1-CD1 4.01Å; V119-I878 HydrophobicContact CG1-CG1 4.03Å; V119-L912 HydrophobicContact CB-CD1 4.01Å; V119-L912 HydrophobicContact CG2-CD1 3.64Å; V119-Q913 PolarHBondContact N-O 2.78Å; V119-L970 HydrophobicContact CG1-CB 4.03Å; V119-L970 HydrophobicContact CG1-CD1 4.24Å; V119-Q972 HydrophobicContact CG2-CB 3.95Å | ||
| 120 | A | 89 | Confident | 90.4 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 133.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 121 | I | 93.2 | Very high | 91 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 118.5 | 176.2 | -49.3 | 175 | 0 | 0 | 0 | 107.6 | A123 L125 Q126 M129 E919 L923 L970 | I121-A123 PolarHBondContact O-N 2.9Å; I121-L125 HydrophobicContact CG2-CB 4.22Å; I121-L125 HydrophobicContact CG2-CD2 4.26Å; I121-L125 HydrophobicContact CG2-CG 4.35Å; I121-Q126 HydrophobicContact CB-CG 3.89Å; I121-Q126 HydrophobicContact CG2-CG 3.6Å; I121-Q126 PolarHBondContact O-NE2 3.24Å; I121-M129 HydrophobicContact CG2-SD 4.16Å; I121-E919 HydrophobicContact CD1-CB 4.1Å; I121-E919 HydrophobicContact CD1-CG 4.23Å; I121-L923 HydrophobicContact CD1-CD1 3.72Å; I121-L923 HydrophobicContact CD1-CD2 3.9Å; I121-L923 HydrophobicContact CD1-CG 3.62Å; I121-L970 HydrophobicContact CG1-CD1 4.24Å; I121-L970 HydrophobicContact CG2-CD1 4.36Å |
| 122 | P | 95 | Very high | 91.7 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 140.8 | 176.5 | -27.7 | 36.7 | 0 | 0 | 0 | 112.4 | D124 L125 Q126 L970 | P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 WeakPolarHBondContact CB-OD1 3.35Å; P122-D124 PolarHBondContact O-N 3.16Å; P122-L125 HydrophobicContact CB-CB 4.29Å; P122-L125 WeakPolarHBondContact O-CA 3.45Å; P122-L125 WeakPolarHBondContact O-CB 3.47Å; P122-L125 PolarHBondContact O-N 3.3Å; P122-Q126 WeakPolarHBondContact O-CG 3.11Å; P122-Q126 PolarHBondContact O-N 3.45Å; P122-L970 HydrophobicContact CG-CD2 4.37Å |
| 123 | A | 95.3 | Very high | 92.4 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 56% | 0.562 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.1 | -35 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I121 L125 Q126 I127 | I121-A123 PolarHBondContact O-N 2.9Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-Q126 PolarHBondContact O-N 2.79Å; A123-I127 VanDerWaalsContact O-CG1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.43Å; A123-I127 PolarHBondContact O-N 2.73Å; A123-I127 VanDerWaalsContact O-N 3.08Å |
| 124 | D | 96.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -40 | 174.1 | 66 | -58.1 | 0 | 0 | 0 | 111.7 | P122 I127 K128 | P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 WeakPolarHBondContact CB-OD1 3.35Å; P122-D124 PolarHBondContact O-N 3.16Å; D124-I127 PolarHBondContact O-N 3.46Å; D124-K128 WeakPolarHBondContact O-CG 3.39Å; D124-K128 PolarHBondContact O-N 2.83Å; D124-K128 IonicContact OD2-NZ 3.86Å |
| 125 | L | 96.7 | Very high | 94 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 176.8 | -166.2 | 60 | 0 | 0 | 0 | 111.4 | I121 P122 A123 I127 K128 M129 V963 E966 V967 L970 | I121-L125 HydrophobicContact CG2-CB 4.22Å; I121-L125 HydrophobicContact CG2-CD2 4.26Å; I121-L125 HydrophobicContact CG2-CG 4.35Å; P122-L125 HydrophobicContact CB-CB 4.29Å; P122-L125 WeakPolarHBondContact O-CA 3.45Å; P122-L125 WeakPolarHBondContact O-CB 3.47Å; P122-L125 PolarHBondContact O-N 3.3Å; A123-L125 VanDerWaalsContact C-N 3.34Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.25Å; L125-K128 HydrophobicContact CD1-CD 4.23Å; L125-K128 PolarHBondContact O-N 3.5Å; L125-M129 HydrophobicContact CG-SD 4.39Å; L125-M129 WeakPolarHBondContact O-CB 3.42Å; L125-M129 VanDerWaalsContact O-CG 3.25Å; L125-M129 WeakPolarHBondContact O-CG 3.28Å; L125-M129 PolarHBondContact O-N 2.94Å; L125-V963 HydrophobicContact CD1-CG1 3.91Å; L125-E966 HydrophobicContact CD1-CB 3.78Å; L125-E966 HydrophobicContact CD2-CB 4.18Å; L125-V967 HydrophobicContact CD1-CG2 4Å; L125-V967 HydrophobicContact CD2-CB 4.48Å; L125-V967 HydrophobicContact CD2-CG2 3.67Å; L125-V967 HydrophobicContact CG-CG2 3.84Å; L125-L970 HydrophobicContact CD2-CD1 4.18Å; L125-L970 HydrophobicContact CD2-CD2 4.31Å; L125-L970 HydrophobicContact CD2-CG 4.43Å |
| 126 | Q | 97.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 172.6 | -64.4 | -174.9 | 41.8 | 0 | 0 | 111.4 | I121 P122 A123 M129 D130 E919 L922 | I121-Q126 HydrophobicContact CB-CG 3.89Å; I121-Q126 HydrophobicContact CG2-CG 3.6Å; I121-Q126 PolarHBondContact O-NE2 3.24Å; P122-Q126 WeakPolarHBondContact O-CG 3.11Å; P122-Q126 PolarHBondContact O-N 3.45Å; A123-Q126 PolarHBondContact O-N 2.79Å; Q126-M129 PolarHBondContact O-N 3.15Å; Q126-D130 WeakPolarHBondContact O-CB 3.15Å; Q126-D130 PolarHBondContact O-N 3.49Å; Q126-E919 PolarHBondContact NE2-OE1 2.83Å; Q126-L922 HydrophobicContact CB-CD2 3.74Å; Q126-L922 HydrophobicContact CG-CD2 3.98Å |
| 127 | I | 97.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 47 Ų | 47 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.8 | -66.4 | 163.6 | 0 | 0 | 0 | 110.9 | A123 D124 L125 M129 D130 Q131 | A123-I127 VanDerWaalsContact O-CG1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.43Å; A123-I127 PolarHBondContact O-N 2.73Å; A123-I127 VanDerWaalsContact O-N 3.08Å; D124-I127 PolarHBondContact O-N 3.46Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.25Å; I127-M129 VanDerWaalsContact C-N 3.34Å; I127-M129 PolarHBondContact O-N 2.94Å; I127-D130 PolarHBondContact O-N 3.45Å; I127-Q131 HydrophobicContact CG2-CG 4.46Å; I127-Q131 WeakPolarHBondContact O-CB 3.29Å; I127-Q131 VanDerWaalsContact O-CG 3.27Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 3.05Å |
| 128 | K | 98.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177.8 | -68.6 | 173.7 | -168.9 | 170 | 0 | 111.6 | D124 L125 L132 V963 E966 | D124-K128 WeakPolarHBondContact O-CG 3.39Å; D124-K128 PolarHBondContact O-N 2.83Å; D124-K128 IonicContact OD2-NZ 3.86Å; L125-K128 HydrophobicContact CD1-CD 4.23Å; L125-K128 PolarHBondContact O-N 3.5Å; K128-L132 WeakPolarHBondContact O-CG 3.23Å; K128-L132 PolarHBondContact O-N 3.45Å; K128-V963 HydrophobicContact CB-CG1 4.43Å; K128-V963 HydrophobicContact CB-CG2 3.76Å; K128-V963 HydrophobicContact CD-CG2 4.02Å; K128-V963 HydrophobicContact CG-CG2 4.4Å; K128-E966 VanDerWaalsContact NZ-CD 3.31Å; K128-E966 IonicContact NZ-OE1 3.88Å; K128-E966 PolarHBondContact NZ-OE1 3.15Å; K128-E966 IonicContact NZ-OE2 3.36Å; K128-E966 PolarHBondContact NZ-OE2 3.46Å |
| 129 | M | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 177.6 | -71.5 | 169.3 | 72 | 0 | 0 | 111.7 | I121 L125 Q126 I127 Q131 L132 I133 L922 L923 F926 V963 V967 | I121-M129 HydrophobicContact CG2-SD 4.16Å; L125-M129 HydrophobicContact CG-SD 4.39Å; L125-M129 WeakPolarHBondContact O-CB 3.42Å; L125-M129 VanDerWaalsContact O-CG 3.25Å; L125-M129 WeakPolarHBondContact O-CG 3.28Å; L125-M129 PolarHBondContact O-N 2.94Å; Q126-M129 PolarHBondContact O-N 3.15Å; I127-M129 VanDerWaalsContact C-N 3.34Å; I127-M129 PolarHBondContact O-N 2.94Å; M129-Q131 VanDerWaalsContact C-N 3.33Å; M129-Q131 PolarHBondContact O-N 3.31Å; M129-L132 PolarHBondContact O-N 3.46Å; M129-I133 WeakPolarHBondContact O-CD1 3.34Å; M129-I133 VanDerWaalsContact O-CG1 3.3Å; M129-I133 WeakPolarHBondContact O-CG1 3.23Å; M129-I133 PolarHBondContact O-N 2.71Å; M129-L922 HydrophobicContact CB-CD1 4.14Å; M129-L922 HydrophobicContact CB-CD2 4.09Å; M129-L922 HydrophobicContact CB-CG 4.17Å; M129-L922 HydrophobicContact CE-CD2 4.3Å; M129-L922 HydrophobicContact CE-CG 4.03Å; M129-L922 HydrophobicContact SD-CD2 4.21Å; M129-L923 HydrophobicContact CE-CD2 3.97Å; M129-F926 HydrophobicContact CE-CB 3.76Å; M129-F926 HydrophobicContact CE-CD1 3.79Å; M129-F926 HydrophobicContact CE-CG 3.82Å; M129-V963 HydrophobicContact CG-CG1 3.78Å; M129-V967 HydrophobicContact CE-CG2 4.41Å; M129-V967 HydrophobicContact CG-CG2 4.02Å; M129-V967 HydrophobicContact SD-CG2 3.67Å |
| 130 | D | 97.8 | Very high | 94.4 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 178.8 | 172.2 | 75.9 | 0 | 0 | 0 | 111.8 | Q126 I127 L132 I133 K134 L922 | Q126-D130 WeakPolarHBondContact O-CB 3.15Å; Q126-D130 PolarHBondContact O-N 3.49Å; I127-D130 PolarHBondContact O-N 3.45Å; D130-L132 PolarHBondContact O-N 2.89Å; D130-I133 PolarHBondContact O-N 3.41Å; D130-K134 VanDerWaalsContact CG-NZ 3.26Å; D130-K134 WeakPolarHBondContact O-CG 3.4Å; D130-K134 PolarHBondContact O-N 2.99Å; D130-K134 WeakPolarHBondContact OD1-CE 3.39Å; D130-K134 IonicContact OD1-NZ 3.9Å; D130-K134 PolarHBondContact OD1-NZ 2.82Å; D130-K134 VanDerWaalsContact OD2-CE 3.31Å; D130-K134 WeakPolarHBondContact OD2-CE 3.31Å; D130-K134 IonicContact OD2-NZ 2.85Å; D130-K134 PolarHBondContact OD2-NZ 3.27Å; D130-L922 HydrophobicContact CB-CD1 3.99Å |
| 131 | Q | 97.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.1 | -74.1 | 174.4 | -3.1 | 0 | 0 | 112 | I127 M129 I133 K134 N135 | I127-Q131 HydrophobicContact CG2-CG 4.46Å; I127-Q131 WeakPolarHBondContact O-CB 3.29Å; I127-Q131 VanDerWaalsContact O-CG 3.27Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 3.05Å; M129-Q131 VanDerWaalsContact C-N 3.33Å; M129-Q131 PolarHBondContact O-N 3.31Å; Q131-I133 VanDerWaalsContact C-N 3.34Å; Q131-I133 PolarHBondContact O-N 2.83Å; Q131-K134 PolarHBondContact O-N 3.19Å; Q131-N135 VanDerWaalsContact O-CB 3.26Å; Q131-N135 WeakPolarHBondContact O-CB 3.49Å; Q131-N135 PolarHBondContact O-N 3.23Å; Q131-N135 PolarHBondContact O-ND2 3.43Å; Q131-N135 PolarHBondContact O-OD1 3.4Å |
| 132 | L | 97.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.4 | -75.4 | 171.4 | 0 | 0 | 0 | 112 | K128 M129 D130 N135 Y136 F926 W956 K959 M960 V963 | K128-L132 WeakPolarHBondContact O-CG 3.23Å; K128-L132 PolarHBondContact O-N 3.45Å; M129-L132 PolarHBondContact O-N 3.46Å; D130-L132 PolarHBondContact O-N 2.89Å; L132-N135 PolarHBondContact O-N 2.91Å; L132-Y136 WeakPolarHBondContact O-CB 3.49Å; L132-Y136 PolarHBondContact O-N 3.5Å; L132-F926 HydrophobicContact CD1-CE2 4.28Å; L132-W956 HydrophobicContact CD2-CG 4.35Å; L132-W956 PolarHBondContact O-NE1 2.87Å; L132-K959 HydrophobicContact CD2-CB 4.16Å; L132-K959 HydrophobicContact CD2-CG 4.06Å; L132-M960 HydrophobicContact CD1-CB 4.29Å; L132-M960 HydrophobicContact CD2-CB 4.19Å; L132-V963 HydrophobicContact CD1-CB 3.59Å; L132-V963 HydrophobicContact CD1-CG1 3.83Å; L132-V963 HydrophobicContact CD1-CG2 3.62Å |
| 133 | I | 97.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 178.4 | -68.5 | 158.9 | 0 | 0 | 0 | 110.5 | M129 D130 Q131 N135 Y136 A137 L922 Q925 F926 V929 | M129-I133 WeakPolarHBondContact O-CD1 3.34Å; M129-I133 VanDerWaalsContact O-CG1 3.3Å; M129-I133 WeakPolarHBondContact O-CG1 3.23Å; M129-I133 PolarHBondContact O-N 2.71Å; D130-I133 PolarHBondContact O-N 3.41Å; Q131-I133 VanDerWaalsContact C-N 3.34Å; Q131-I133 PolarHBondContact O-N 2.83Å; I133-N135 PolarHBondContact O-N 3.23Å; I133-Y136 PolarHBondContact O-N 3.25Å; I133-A137 PolarHBondContact O-N 3.09Å; I133-L922 HydrophobicContact CD1-CD1 3.6Å; I133-Q925 HydrophobicContact CD1-CB 3.83Å; I133-Q925 HydrophobicContact CG2-CB 4.36Å; I133-F926 HydrophobicContact CD1-CB 4.16Å; I133-F926 HydrophobicContact CG1-CD2 4.36Å; I133-V929 HydrophobicContact CB-CG2 4.34Å; I133-V929 HydrophobicContact CG1-CG2 4.05Å; I133-V929 HydrophobicContact CG2-CG2 4.13Å |
| 134 | K | 95.9 | Very high | 91.8 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 53% | 0.53 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.5 | -73.5 | 170.6 | 179.1 | 163.8 | 0 | 112 | D130 Q131 Y136 A137 | D130-K134 VanDerWaalsContact CG-NZ 3.26Å; D130-K134 WeakPolarHBondContact O-CG 3.4Å; D130-K134 PolarHBondContact O-N 2.99Å; D130-K134 WeakPolarHBondContact OD1-CE 3.39Å; D130-K134 IonicContact OD1-NZ 3.9Å; D130-K134 PolarHBondContact OD1-NZ 2.82Å; D130-K134 VanDerWaalsContact OD2-CE 3.31Å; D130-K134 WeakPolarHBondContact OD2-CE 3.31Å; D130-K134 IonicContact OD2-NZ 2.85Å; D130-K134 PolarHBondContact OD2-NZ 3.27Å; Q131-K134 PolarHBondContact O-N 3.19Å; K134-Y136 VanDerWaalsContact C-N 3.35Å; K134-Y136 PolarHBondContact O-N 3.36Å; K134-A137 PolarHBondContact O-N 2.73Å |
| 135 | N | 94.3 | Very high | 90.9 | Very high | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 178.5 | -68.8 | -12.1 | 0 | 0 | 0 | 111.5 | Q131 L132 I133 A137 V138 L139 | Q131-N135 VanDerWaalsContact O-CB 3.26Å; Q131-N135 WeakPolarHBondContact O-CB 3.49Å; Q131-N135 PolarHBondContact O-N 3.23Å; Q131-N135 PolarHBondContact O-ND2 3.43Å; Q131-N135 PolarHBondContact O-OD1 3.4Å; L132-N135 PolarHBondContact O-N 2.91Å; I133-N135 PolarHBondContact O-N 3.23Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.19Å; N135-V138 PolarHBondContact O-N 2.7Å; N135-L139 WeakPolarHBondContact O-CB 3.32Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 3.3Å |
| 136 | Y | 94 | Very high | 89.8 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 178.4 | -178.3 | -106.6 | 0 | 0 | 0 | 112.7 | L132 I133 K134 V138 L139 S140 V929 S932 F933 W956 | L132-Y136 WeakPolarHBondContact O-CB 3.49Å; L132-Y136 PolarHBondContact O-N 3.5Å; I133-Y136 PolarHBondContact O-N 3.25Å; K134-Y136 VanDerWaalsContact C-N 3.35Å; K134-Y136 PolarHBondContact O-N 3.36Å; Y136-V138 PolarHBondContact O-N 3.04Å; Y136-L139 PolarHBondContact O-N 3.3Å; Y136-S140 VanDerWaalsContact O-CB 3.26Å; Y136-S140 WeakPolarHBondContact O-CB 3.46Å; Y136-S140 PolarHBondContact O-N 3.39Å; Y136-S140 PolarHBondContact O-OG 2.9Å; Y136-V929 HydrophobicContact CD1-CB 4.16Å; Y136-V929 HydrophobicContact CD1-CG1 3.64Å; Y136-V929 HydrophobicContact CD1-CG2 3.84Å; Y136-V929 HydrophobicContact CD2-CG1 4.26Å; Y136-V929 HydrophobicContact CE1-CG1 4.25Å; Y136-V929 HydrophobicContact CG-CG1 3.63Å; Y136-V929 HydrophobicContact CG-CG2 4.47Å; Y136-S932 VanDerWaalsContact OH-C 3.26Å; Y136-S932 PolarHBondContact OH-O 3.07Å; Y136-S932 PolarHBondContact OH-OG 3.49Å; Y136-F933 HydrophobicContact CE2-CB 3.79Å; Y136-F933 AromaticContact CE2-CD2 3.82Å; Y136-F933 HydrophobicContact CE2-CD2 3.82Å; Y136-F933 HydrophobicContact CE2-CG 4.24Å; Y136-F933 WeakPolarHBondContact OH-CA 3.42Å; Y136-F933 PolarHBondContact OH-N 2.96Å; Y136-F933 VanDerWaalsContact OH-N 3.15Å; Y136-W956 AromaticContact CD2-CH2 3.6Å; Y136-W956 HydrophobicContact CD2-CH2 3.6Å; Y136-W956 AromaticContact CD2-CZ2 3.67Å; Y136-W956 HydrophobicContact CD2-CZ2 3.67Å; Y136-W956 HydrophobicContact CD2-CZ3 4.1Å; Y136-W956 HydrophobicContact CE2-CH2 4.25Å; Y136-W956 HydrophobicContact CG-CH2 4.22Å; Y136-W956 AromaticContact CG-CZ2 3.91Å; Y136-W956 HydrophobicContact CG-CZ2 3.91Å |
| 137 | A | 90 | Very high | 88.5 | Confident | 65 Ų | 65 | 57 Ų | 57 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I133 K134 N135 S140 | I133-A137 PolarHBondContact O-N 3.09Å; K134-A137 PolarHBondContact O-N 2.73Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.19Å; A137-S140 PolarHBondContact O-OG 3.43Å |
| 138 | V | 88.6 | Confident | 87.3 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -80.4 | -45.7 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | N135 Y136 T142 | N135-V138 PolarHBondContact O-N 2.7Å; Y136-V138 PolarHBondContact O-N 3.04Å; V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 VanDerWaalsContact O-N 3.17Å; V138-T142 PolarHBondContact O-OG1 3.28Å |
| 139 | L | 85.9 | Confident | 86.3 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | -177.1 | -73.4 | 170 | 0 | 0 | 0 | 112.2 | N135 Y136 K141 T142 L143 W956 | N135-L139 WeakPolarHBondContact O-CB 3.32Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 3.3Å; Y136-L139 PolarHBondContact O-N 3.3Å; L139-K141 PolarHBondContact O-N 3.38Å; L139-T142 PolarHBondContact O-N 2.9Å; L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.15Å; L139-L143 PolarHBondContact O-N 2.9Å; L139-W956 HydrophobicContact CD1-CB 3.48Å; L139-W956 VanDerWaalsContact CD1-CB 3.48Å; L139-W956 HydrophobicContact CD1-CD2 4.22Å; L139-W956 HydrophobicContact CD1-CG 3.46Å; L139-W956 VanDerWaalsContact CD1-CG 3.46Å |
| 140 | S | 85.4 | Confident | 84.9 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | Y136 A137 T142 L143 T144 | Y136-S140 VanDerWaalsContact O-CB 3.26Å; Y136-S140 WeakPolarHBondContact O-CB 3.46Å; Y136-S140 PolarHBondContact O-N 3.39Å; Y136-S140 PolarHBondContact O-OG 2.9Å; A137-S140 PolarHBondContact O-OG 3.43Å; S140-T142 PolarHBondContact O-N 3.43Å; S140-L143 PolarHBondContact O-N 3.48Å; S140-T144 PolarHBondContact O-N 3.36Å; S140-T144 PolarHBondContact O-OG1 3.36Å |
| 141 | K | 83.6 | Confident | 83.6 | Confident | 144 Ų | 144 | 68.2 Ų | 68.2 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 176 | -172.4 | 178.9 | -179.3 | -179.3 | 0 | 112.2 | L139 L143 T144 D145 | L139-K141 PolarHBondContact O-N 3.38Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.1Å; K141-T144 PolarHBondContact O-N 2.81Å; K141-D145 PolarHBondContact O-N 3.18Å |
| 142 | T | 81.1 | Confident | 82.6 | Confident | 76 Ų | 76 | 68 Ų | 68 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 179.4 | -53 | 0 | 0 | 0 | 0 | 111.6 | V138 L139 S140 S146 | V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 VanDerWaalsContact O-N 3.17Å; V138-T142 PolarHBondContact O-OG1 3.28Å; L139-T142 PolarHBondContact O-N 2.9Å; S140-T142 PolarHBondContact O-N 3.43Å; T142-S146 WeakPolarHBondContact O-CB 3.33Å; T142-S146 PolarHBondContact O-N 2.92Å; T142-S146 PolarHBondContact O-OG 3.16Å |
| 143 | L | 76 | Confident | 81.5 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.4 | -48.2 | 179.2 | -175.9 | 63.9 | 0 | 0 | 0 | 111.2 | L139 S140 K141 D145 S146 L147 L936 A944 L953 | L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.15Å; L139-L143 PolarHBondContact O-N 2.9Å; S140-L143 PolarHBondContact O-N 3.48Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.1Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.41Å; L143-S146 PolarHBondContact O-N 3.29Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L143-L147 HydrophobicContact CD1-CD1 3.64Å; L143-L147 HydrophobicContact CD1-CG 3.99Å; L143-L147 HydrophobicContact CD2-CD1 4.15Å; L143-L147 HydrophobicContact CG-CD1 3.52Å; L143-L147 HydrophobicContact CG-CG 4.23Å; L143-L147 WeakPolarHBondContact O-CB 3.11Å; L143-L147 VanDerWaalsContact O-CG 3.26Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.41Å; L143-L936 HydrophobicContact CD2-CD2 3.75Å; L143-L936 HydrophobicContact CD2-CG 4.1Å; L143-A944 HydrophobicContact CD1-CB 3.91Å; L143-A944 HydrophobicContact CD2-CB 4.07Å; L143-L953 HydrophobicContact CD1-CD2 4Å; L143-L953 HydrophobicContact CD2-CD1 4.4Å; L143-L953 HydrophobicContact CD2-CD2 3.58Å; L143-L953 HydrophobicContact CG-CD2 4.38Å |
| 144 | T | 77.2 | Confident | 80.3 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | S140 K141 S146 L147 E148 | S140-T144 PolarHBondContact O-N 3.36Å; S140-T144 PolarHBondContact O-OG1 3.36Å; K141-T144 PolarHBondContact O-N 2.81Å; T144-S146 VanDerWaalsContact C-N 3.31Å; T144-S146 PolarHBondContact O-N 3.3Å; T144-L147 PolarHBondContact O-N 3.26Å; T144-E148 WeakPolarHBondContact O-CB 3.36Å; T144-E148 WeakPolarHBondContact O-CG 3.27Å; T144-E148 PolarHBondContact O-N 3.03Å |
| 145 | D | 78.1 | Confident | 79.1 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 177.4 | -72.6 | -14.9 | 0 | 0 | 0 | 112.9 | K141 L143 R149 | K141-D145 PolarHBondContact O-N 3.18Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.41Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.27Å; D145-R149 PolarHBondContact O-NE 3.22Å |
| 146 | S | 73.6 | Confident | 78.1 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.7 | -39.3 | 179.9 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | T142 L143 T144 R149 F150 | T142-S146 WeakPolarHBondContact O-CB 3.33Å; T142-S146 PolarHBondContact O-N 2.92Å; T142-S146 PolarHBondContact O-OG 3.16Å; L143-S146 PolarHBondContact O-N 3.29Å; L143-S146 VanDerWaalsContact O-N 3.16Å; T144-S146 VanDerWaalsContact C-N 3.31Å; T144-S146 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact O-CB 3.45Å; S146-R149 PolarHBondContact O-N 2.91Å; S146-F150 PolarHBondContact O-N 3.44Å |
| 147 | L | 71.8 | Confident | 77.1 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 179.6 | -69.6 | 171.1 | 0 | 0 | 0 | 112.1 | L143 T144 F150 R151 H940 A944 F947 | L143-L147 HydrophobicContact CD1-CD1 3.64Å; L143-L147 HydrophobicContact CD1-CG 3.99Å; L143-L147 HydrophobicContact CD2-CD1 4.15Å; L143-L147 HydrophobicContact CG-CD1 3.52Å; L143-L147 HydrophobicContact CG-CG 4.23Å; L143-L147 WeakPolarHBondContact O-CB 3.11Å; L143-L147 VanDerWaalsContact O-CG 3.26Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.41Å; T144-L147 PolarHBondContact O-N 3.26Å; L147-F150 PolarHBondContact O-N 3.06Å; L147-R151 WeakPolarHBondContact O-CB 3.43Å; L147-R151 PolarHBondContact O-N 3.02Å; L147-H940 HydrophobicContact CD1-CB 4.01Å; L147-H940 WeakPolarHBondContact CD1-CD2 3.23Å; L147-H940 WeakPolarHBondContact CD1-NE2 3.5Å; L147-A944 HydrophobicContact CD1-CB 4.47Å; L147-F947 HydrophobicContact CD2-CE2 4.13Å |
| 148 | E | 72.8 | Confident | 76 | Confident | 85 Ų | 85 | 82.3 Ų | 82.3 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 169.4 | -77.3 | -57.2 | 128.5 | 0 | 0 | 111.1 | T144 F150 R151 I152 | T144-E148 WeakPolarHBondContact O-CB 3.36Å; T144-E148 WeakPolarHBondContact O-CG 3.27Å; T144-E148 PolarHBondContact O-N 3.03Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 3.4Å; E148-R151 PolarHBondContact O-N 3.24Å; E148-R151 IonicContact OE1-NH1 3.93Å; E148-I152 WeakPolarHBondContact O-CB 3.38Å; E148-I152 VanDerWaalsContact O-CG1 3.24Å; E148-I152 WeakPolarHBondContact O-CG1 3.43Å; E148-I152 PolarHBondContact O-N 2.82Å |
| 149 | R | 75.6 | Confident | 74.8 | Confident | 172 Ų | 172 | 88.4 Ų | 88.4 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 172.6 | -72.4 | 179.8 | -130.3 | -154.7 | 1.3 | 112.4 | D145 S146 I152 K153 | D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.27Å; D145-R149 PolarHBondContact O-NE 3.22Å; S146-R149 WeakPolarHBondContact O-CB 3.45Å; S146-R149 PolarHBondContact O-N 2.91Å; R149-I152 PolarHBondContact O-N 2.91Å; R149-K153 WeakPolarHBondContact O-CB 3.33Å; R149-K153 PolarHBondContact O-N 3.25Å |
| 150 | F | 70 | Confident | 74 | Confident | 70 Ų | 70 | 93 Ų | 93 | 31% | 0.307 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.8 | -179 | -99.1 | 0 | 0 | 0 | 112.2 | S146 L147 E148 K153 Q154 F947 | S146-F150 PolarHBondContact O-N 3.44Å; L147-F150 PolarHBondContact O-N 3.06Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 3.4Å; F150-K153 WeakPolarHBondContact O-CB 3.45Å; F150-K153 PolarHBondContact O-N 3.42Å; F150-Q154 HydrophobicContact CD1-CG 4.24Å; F150-Q154 HydrophobicContact CE1-CG 3.75Å; F150-Q154 HydrophobicContact CE2-CG 4.44Å; F150-Q154 HydrophobicContact CZ-CG 3.85Å; F150-Q154 VanDerWaalsContact CZ-NE2 3.29Å; F150-Q154 PolarHBondContact O-N 2.94Å; F150-F947 AromaticContact CD1-CZ 3.95Å; F150-F947 HydrophobicContact CD1-CZ 3.95Å; F150-F947 AromaticContact CD2-CE1 3.89Å; F150-F947 HydrophobicContact CD2-CE1 3.89Å; F150-F947 AromaticContact CD2-CZ 3.78Å; F150-F947 HydrophobicContact CD2-CZ 3.78Å; F150-F947 AromaticContact CE1-CZ 3.77Å; F150-F947 HydrophobicContact CE1-CZ 3.77Å; F150-F947 AromaticContact CE2-CE1 3.62Å; F150-F947 HydrophobicContact CE2-CE1 3.62Å; F150-F947 AromaticContact CE2-CZ 3.61Å; F150-F947 HydrophobicContact CE2-CZ 3.61Å; F150-F947 HydrophobicContact CG-CE1 4.49Å; F150-F947 AromaticContact CG-CZ 3.95Å; F150-F947 HydrophobicContact CG-CZ 3.95Å; F150-F947 HydrophobicContact CZ-CE1 4Å; F150-F947 AromaticContact CZ-CZ 3.6Å; F150-F947 HydrophobicContact CZ-CZ 3.6Å |
| 151 | R | 69.9 | Low | 72.4 | Confident | 108 Ų | 108 | 95.2 Ų | 95.2 | 41% | 0.408 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 173.6 | -84.4 | -177.4 | 164.6 | 151.1 | 0.6 | 111.4 | L147 E148 K153 Q154 V155 E939 | L147-R151 WeakPolarHBondContact O-CB 3.43Å; L147-R151 PolarHBondContact O-N 3.02Å; E148-R151 PolarHBondContact O-N 3.24Å; E148-R151 IonicContact OE1-NH1 3.93Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 2.76Å; R151-Q154 PolarHBondContact O-N 3.1Å; R151-V155 WeakPolarHBondContact O-CG2 3.49Å; R151-V155 PolarHBondContact O-N 2.76Å; R151-E939 PolarHBondContact NH2-O 2.87Å |
| 152 | I | 75.9 | Confident | 70.4 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 175 | -68.1 | 164.9 | 0 | 0 | 0 | 109.8 | E148 R149 Q154 V155 V156 | E148-I152 WeakPolarHBondContact O-CB 3.38Å; E148-I152 VanDerWaalsContact O-CG1 3.24Å; E148-I152 WeakPolarHBondContact O-CG1 3.43Å; E148-I152 PolarHBondContact O-N 2.82Å; R149-I152 PolarHBondContact O-N 2.91Å; I152-Q154 PolarHBondContact O-N 3.17Å; I152-V155 PolarHBondContact O-N 2.95Å; I152-V156 HydrophobicContact CG2-CG2 4.2Å; I152-V156 WeakPolarHBondContact O-CB 3.28Å; I152-V156 WeakPolarHBondContact O-CG2 3.36Å; I152-V156 PolarHBondContact O-N 3.45Å |
| 153 | K | 74.9 | Confident | 68.6 | Low | 126 Ų | 126 | 96.4 Ų | 96.4 | 55% | 0.548 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.5 | -173.2 | -177.7 | 175.1 | -174.1 | 0 | 112 | R149 F150 R151 V155 V156 D157 | R149-K153 WeakPolarHBondContact O-CB 3.33Å; R149-K153 PolarHBondContact O-N 3.25Å; F150-K153 WeakPolarHBondContact O-CB 3.45Å; F150-K153 PolarHBondContact O-N 3.42Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 2.76Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.41Å; K153-V156 PolarHBondContact O-N 3.47Å; K153-D157 WeakPolarHBondContact CE-OD2 3.32Å; K153-D157 VanDerWaalsContact O-CB 3.29Å; K153-D157 WeakPolarHBondContact O-CB 3.28Å; K153-D157 PolarHBondContact O-N 3.15Å |
| 154 | Q | 71 | Confident | 67.1 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.5 | -77.7 | -165.9 | -27.9 | 0 | 0 | 112.8 | F150 R151 I152 R158 | F150-Q154 HydrophobicContact CD1-CG 4.24Å; F150-Q154 HydrophobicContact CE1-CG 3.75Å; F150-Q154 HydrophobicContact CE2-CG 4.44Å; F150-Q154 HydrophobicContact CZ-CG 3.85Å; F150-Q154 VanDerWaalsContact CZ-NE2 3.29Å; F150-Q154 PolarHBondContact O-N 2.94Å; R151-Q154 PolarHBondContact O-N 3.1Å; I152-Q154 PolarHBondContact O-N 3.17Å; Q154-R158 WeakPolarHBondContact O-CB 3.46Å; Q154-R158 PolarHBondContact O-N 2.68Å |
| 155 | V | 71.6 | Confident | 65.1 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | R151 I152 K153 R158 W159 | R151-V155 WeakPolarHBondContact O-CG2 3.49Å; R151-V155 PolarHBondContact O-N 2.76Å; I152-V155 PolarHBondContact O-N 2.95Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.41Å; V155-R158 PolarHBondContact O-N 3.25Å; V155-W159 WeakPolarHBondContact O-CB 3.02Å; V155-W159 PolarHBondContact O-N 2.76Å |
| 156 | V | 73.8 | Confident | 62.9 | Low | 68 Ų | 68 | 105.9 Ų | 105.9 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | I152 K153 R158 W159 L160 | I152-V156 HydrophobicContact CG2-CG2 4.2Å; I152-V156 WeakPolarHBondContact O-CB 3.28Å; I152-V156 WeakPolarHBondContact O-CG2 3.36Å; I152-V156 PolarHBondContact O-N 3.45Å; K153-V156 PolarHBondContact O-N 3.47Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 3Å; V156-W159 CarbonylContact O-C 3.51Å; V156-W159 WeakPolarHBondContact O-CA 3.48Å; V156-W159 WeakPolarHBondContact O-CB 3.34Å; V156-W159 PolarHBondContact O-N 3.1Å; V156-L160 HydrophobicContact CG1-CD1 3.67Å; V156-L160 HydrophobicContact CG1-CG 4.27Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 2.99Å; V156-L160 PolarHBondContact O-N 2.92Å |
| 157 | D | 73.1 | Confident | 60.9 | Low | 72 Ų | 72 | 111.2 Ų | 111.2 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.2 | -70.2 | -14.1 | 0 | 0 | 0 | 110 | K153 W159 L160 V161 | K153-D157 WeakPolarHBondContact CE-OD2 3.32Å; K153-D157 VanDerWaalsContact O-CB 3.29Å; K153-D157 WeakPolarHBondContact O-CB 3.28Å; K153-D157 PolarHBondContact O-N 3.15Å; D157-W159 VanDerWaalsContact C-N 3.3Å; D157-W159 PolarHBondContact O-N 3.11Å; D157-L160 PolarHBondContact O-N 3.3Å; D157-V161 VanDerWaalsContact O-CG2 3.29Å; D157-V161 WeakPolarHBondContact O-CG2 3.13Å; D157-V161 PolarHBondContact O-N 2.92Å |
| 158 | R | 66.2 | Low | 59.1 | Low | 171 Ų | 171 | 117 Ų | 117 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -31.1 | 173.7 | -172.1 | -178.2 | -62.4 | -174.8 | -1 | 113 | Q154 V155 V156 | Q154-R158 WeakPolarHBondContact O-CB 3.46Å; Q154-R158 PolarHBondContact O-N 2.68Å; V155-R158 PolarHBondContact O-N 3.25Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 3Å |
| 159 | W | 63.5 | Low | 57.1 | Low | 226 Ų | 226 | 118.3 Ų | 118.3 | 86% | 0.856 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.7 | -28.3 | 174.1 | -85.5 | 41.8 | 0 | 0 | 0 | 112.9 | V155 V156 D157 | V155-W159 WeakPolarHBondContact O-CB 3.02Å; V155-W159 PolarHBondContact O-N 2.76Å; V156-W159 CarbonylContact O-C 3.51Å; V156-W159 WeakPolarHBondContact O-CA 3.48Å; V156-W159 WeakPolarHBondContact O-CB 3.34Å; V156-W159 PolarHBondContact O-N 3.1Å; D157-W159 VanDerWaalsContact C-N 3.3Å; D157-W159 PolarHBondContact O-N 3.11Å |
| 160 | L | 68.6 | Low | 54.9 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.6 | -24 | -179.6 | -72.4 | 169 | 0 | 0 | 0 | 112.8 | V156 D157 | V156-L160 HydrophobicContact CG1-CD1 3.67Å; V156-L160 HydrophobicContact CG1-CG 4.27Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 2.99Å; V156-L160 PolarHBondContact O-N 2.92Å; D157-L160 PolarHBondContact O-N 3.3Å |
| 161 | V | 52.4 | Low | 53 | Low | 70 Ų | 70 | 124.3 Ų | 124.3 | 42% | 0.424 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -84.8 | 122.4 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | D157 T165 | D157-V161 VanDerWaalsContact O-CG2 3.29Å; D157-V161 WeakPolarHBondContact O-CG2 3.13Å; D157-V161 PolarHBondContact O-N 2.92Å; V161-T165 VanDerWaalsContact CG1-OG1 3.27Å; V161-T165 WeakPolarHBondContact CG1-OG1 3.36Å |
| 162 | D | 42 | Very low | 51.3 | Low | 116 Ų | 116 | 127 Ų | 127 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | trans | -50.4 | 129.2 | 175.7 | -164.5 | -11.3 | 0 | 0 | 0 | 110 | A164 T165 | D162-A164 PolarHBondContact O-N 2.68Å; D162-T165 PolarHBondContact O-N 3.33Å; D162-T165 PolarHBondContact O-OG1 3.16Å | ||
| 163 | P | 43.9 | Very low | 49.3 | Very low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -7.2 | -177 | -27.1 | 33.7 | 0 | 0 | 0 | 115.9 | ||
| 164 | A | 44 | Very low | 47.6 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -7.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D162 | D162-A164 PolarHBondContact O-N 2.68Š|
| 165 | T | 34.5 | Very low | 46.4 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | trans | -116.6 | 43.8 | -171.6 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | V161 D162 | V161-T165 VanDerWaalsContact CG1-OG1 3.27Å; V161-T165 WeakPolarHBondContact CG1-OG1 3.36Å; D162-T165 PolarHBondContact O-N 3.33Å; D162-T165 PolarHBondContact O-OG1 3.16Å | ||
| 166 | F | 32.2 | Very low | 45.4 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 74% | 0.737 | 68% | 0.68 | S | S | * | * | trans | -104.4 | 92.4 | 162.9 | -107.4 | -90.5 | 0 | 0 | 0 | 109.4 | V168 | F166-V168 PolarHBondContact O-N 3.35Š| ||
| 167 | D | 31 | Very low | 44.4 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -68.8 | 111.8 | 162.1 | -103.9 | -25.4 | 0 | 0 | 0 | 107.5 | T169 | D167-T169 PolarHBondContact O-N 3.16Š| ||
| 168 | V | 33.6 | Very low | 43.8 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 116.3 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 106.2 | F166 E170 | F166-V168 PolarHBondContact O-N 3.35Å; V168-E170 PolarHBondContact O-N 3.3Å | ||
| 169 | T | 31.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | -53.9 | 122.5 | 175.5 | 42.9 | 0 | 0 | 0 | 0 | 110.3 | D167 E171 | D167-T169 PolarHBondContact O-N 3.16Å; T169-E171 PolarHBondContact O-N 2.92Å | ||
| 170 | E | 29.1 | Very low | 45 | Very low | 202 Ų | 202 | 122.1 Ų | 122.1 | 94% | 0.944 | 67% | 0.674 | S | S | * | * | trans | -60.1 | 95.3 | 172.9 | -66.5 | 178.5 | 153.4 | 0 | 0 | 110.1 | V168 | V168-E170 PolarHBondContact O-N 3.3Š| ||
| 171 | E | 30.3 | Very low | 45.6 | Very low | 166 Ų | 166 | 119.1 Ų | 119.1 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -102.2 | 111.2 | 160.5 | -77.6 | -173.7 | 168 | 0 | 0 | 108.3 | T169 D173 | T169-E171 PolarHBondContact O-N 2.92Å; E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 2.64Å | ||
| 172 | D | 33.8 | Very low | 47.2 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | trans | 23.6 | 53.6 | 159.6 | -67.9 | -28.4 | 0 | 0 | 0 | 118.6 | I174 | D172-I174 PolarHBondContact O-N 3.41Š| ||
| 173 | D | 34.2 | Very low | 49.3 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | trans | -94.8 | 81.9 | 162.4 | -92.1 | -31.4 | 0 | 0 | 0 | 109.8 | E171 D175 K330 | E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 2.64Å; D173-D175 PolarHBondContact O-N 2.85Å; D173-K330 IonicContact OD1-NZ 3.53Å; D173-K330 PolarHBondContact OD1-NZ 2.74Å | ||
| 174 | I | 39.6 | Very low | 51.5 | Low | 144 Ų | 144 | 116.2 Ų | 116.2 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 74.3 | 148.9 | -55 | 172.7 | 0 | 0 | 0 | 106.3 | D172 | D172-I174 PolarHBondContact O-N 3.41Š|
| 175 | D | 46.1 | Very low | 53.8 | Low | 92 Ų | 92 | 116.6 Ų | 116.6 | 49% | 0.492 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -177 | 37.7 | 163.3 | -93.1 | -26.1 | 0 | 0 | 0 | 111 | D173 P177 | D173-D175 PolarHBondContact O-N 2.85Å; D175-P177 WeakPolarHBondContact O-CD 3.49Å |
| 176 | V | 50 | Low | 56.7 | Low | 113 Ų | 113 | 113.1 Ų | 113.1 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | trans | -54.1 | 126.7 | 162.8 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | L178 | V176-L178 PolarHBondContact O-N 2.79Š| ||
| 177 | P | 52.5 | Low | 59.7 | Low | 118 Ų | 118 | 105.2 Ų | 105.2 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | trans | -45 | 121 | 173.4 | -27.9 | 33.8 | 0 | 0 | 0 | 108.6 | D175 D179 | D175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-D179 PolarHBondContact O-N 2.94Å | ||
| 178 | L | 59.9 | Low | 62.8 | Low | 37 Ų | 37 | 102.5 Ų | 102.5 | 19% | 0.194 | 55% | 0.55 | C | S | . | . | trans | -55.3 | 130.4 | 178.6 | -69.3 | 174.5 | 0 | 0 | 0 | 107 | V176 K182 C183 R186 P310 | V176-L178 PolarHBondContact O-N 2.79Å; L178-K182 HydrophobicContact CB-CB 3.66Å; L178-K182 HydrophobicContact CD2-CB 3.77Å; L178-K182 HydrophobicContact CD2-CD 3.96Å; L178-K182 HydrophobicContact CD2-CG 4.45Å; L178-K182 HydrophobicContact CG-CB 4.15Å; L178-C183 HydrophobicContact CB-CB 4.38Å; L178-C183 VanDerWaalsContact CB-SG 3.52Å; L178-C183 PolarHBondContact O-SG 3.39Å; L178-C183 VanDerWaalsContact O-SG 3.37Å; L178-R186 HydrophobicContact CD1-CB 4.01Å; L178-R186 HydrophobicContact CD1-CG 4.37Å; L178-P310 HydrophobicContact CD1-CB 4.21Å; L178-P310 HydrophobicContact CD1-CG 3.7Å; L178-P310 HydrophobicContact CG-CG 3.96Å | ||
| 179 | D | 76.2 | Confident | 65.8 | Low | 81 Ų | 81 | 102.9 Ų | 102.9 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | trans | -55.7 | 159.7 | 169.2 | 78.6 | 51.8 | 0 | 0 | 0 | 109.7 | P177 S181 K182 C183 | P177-D179 PolarHBondContact O-N 2.94Å; D179-S181 PolarHBondContact O-N 3.42Å; D179-S181 VanDerWaalsContact OD1-CA 3.25Å; D179-S181 WeakPolarHBondContact OD1-CA 3.38Å; D179-S181 WeakPolarHBondContact OD1-CB 3.41Å; D179-S181 PolarHBondContact OD1-N 2.75Å; D179-K182 CarbonylContact O-C 3.58Å; D179-K182 WeakPolarHBondContact O-CA 3.33Å; D179-K182 WeakPolarHBondContact O-CB 3.38Å; D179-K182 PolarHBondContact O-N 3.17Å; D179-K182 PolarHBondContact OD1-N 2.89Å; D179-C183 PolarHBondContact O-N 3.22Å | ||
| 180 | D | 79.6 | Confident | 68.8 | Low | 147 Ų | 147 | 98 Ų | 98 | 79% | 0.786 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -50.5 | -36.4 | -175.6 | -64 | -19.8 | 0 | 0 | 0 | 113.6 | L184 | D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.1Å |
| 181 | S | 81.6 | Confident | 72.1 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | D179 L184 N185 | D179-S181 PolarHBondContact O-N 3.42Å; D179-S181 VanDerWaalsContact OD1-CA 3.25Å; D179-S181 WeakPolarHBondContact OD1-CA 3.38Å; D179-S181 WeakPolarHBondContact OD1-CB 3.41Å; D179-S181 PolarHBondContact OD1-N 2.75Å; S181-L184 PolarHBondContact O-N 3.08Å; S181-N185 WeakPolarHBondContact O-CB 3.23Å; S181-N185 VanDerWaalsContact O-CG 3.26Å; S181-N185 PolarHBondContact O-N 2.81Å; S181-N185 PolarHBondContact O-ND2 2.92Å |
| 182 | K | 84.7 | Confident | 75.2 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 175.2 | -72.4 | -179.3 | -173.1 | 175.2 | 0 | 111.9 | L178 D179 N185 R186 | L178-K182 HydrophobicContact CB-CB 3.66Å; L178-K182 HydrophobicContact CD2-CB 3.77Å; L178-K182 HydrophobicContact CD2-CD 3.96Å; L178-K182 HydrophobicContact CD2-CG 4.45Å; L178-K182 HydrophobicContact CG-CB 4.15Å; D179-K182 CarbonylContact O-C 3.58Å; D179-K182 WeakPolarHBondContact O-CA 3.33Å; D179-K182 WeakPolarHBondContact O-CB 3.38Å; D179-K182 PolarHBondContact O-N 3.17Å; D179-K182 PolarHBondContact OD1-N 2.89Å; K182-N185 PolarHBondContact O-N 2.85Å; K182-R186 WeakPolarHBondContact O-CB 3.39Å; K182-R186 PolarHBondContact O-N 3.48Å |
| 183 | C | 86.3 | Confident | 78 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 172.7 | -91.9 | 0 | 0 | 0 | 0 | 110.8 | L178 D179 N185 R186 S187 A263 | L178-C183 HydrophobicContact CB-CB 4.38Å; L178-C183 VanDerWaalsContact CB-SG 3.52Å; L178-C183 PolarHBondContact O-SG 3.39Å; L178-C183 VanDerWaalsContact O-SG 3.37Å; D179-C183 PolarHBondContact O-N 3.22Å; C183-N185 VanDerWaalsContact C-N 3.34Å; C183-N185 PolarHBondContact O-N 2.87Å; C183-R186 PolarHBondContact O-N 3.42Å; C183-R186 VanDerWaalsContact O-N 3.16Å; C183-S187 PolarHBondContact O-N 2.71Å; C183-S187 PolarHBondContact O-OG 2.66Å; C183-A263 WeakPolarHBondContact O-CB 3.43Å |
| 184 | L | 90.9 | Very high | 80.8 | Confident | 108 Ų | 108 | 76 Ų | 76 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 178.8 | -177.1 | 62.6 | 0 | 0 | 0 | 112 | D180 S181 R186 S187 H188 | D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.1Å; S181-L184 PolarHBondContact O-N 3.08Å; L184-R186 PolarHBondContact O-N 3.41Å; L184-S187 PolarHBondContact O-N 3.3Å; L184-H188 WeakPolarHBondContact O-CB 3.25Å; L184-H188 PolarHBondContact O-N 2.65Å |
| 185 | N | 93 | Very high | 83.4 | Confident | 90 Ų | 90 | 73 Ų | 73 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 177.2 | -77.3 | -45.9 | 0 | 0 | 0 | 112.7 | S181 K182 C183 R189 | S181-N185 WeakPolarHBondContact O-CB 3.23Å; S181-N185 VanDerWaalsContact O-CG 3.26Å; S181-N185 PolarHBondContact O-N 2.81Å; S181-N185 PolarHBondContact O-ND2 2.92Å; K182-N185 PolarHBondContact O-N 2.85Å; C183-N185 VanDerWaalsContact C-N 3.34Å; C183-N185 PolarHBondContact O-N 2.87Å; N185-R189 WeakPolarHBondContact O-CG 3.34Å; N185-R189 PolarHBondContact O-N 2.79Å; N185-R189 VanDerWaalsContact O-N 3.15Å; N185-R189 PolarHBondContact O-NE 3.29Å |
| 186 | R | 94 | Very high | 85.5 | Confident | 25 Ų | 25 | 77.2 Ų | 77.2 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.9 | -47.4 | 173.9 | 174.9 | 57.6 | 173.7 | 178.5 | -3.1 | 110.8 | L178 K182 C183 L184 H188 R189 L190 A263 P310 | L178-R186 HydrophobicContact CD1-CB 4.01Å; L178-R186 HydrophobicContact CD1-CG 4.37Å; K182-R186 WeakPolarHBondContact O-CB 3.39Å; K182-R186 PolarHBondContact O-N 3.48Å; C183-R186 PolarHBondContact O-N 3.42Å; C183-R186 VanDerWaalsContact O-N 3.16Å; L184-R186 PolarHBondContact O-N 3.41Å; R186-H188 VanDerWaalsContact C-N 3.32Å; R186-H188 PolarHBondContact O-N 2.74Å; R186-R189 WeakPolarHBondContact O-CB 3.39Å; R186-R189 PolarHBondContact O-N 3.3Å; R186-R189 VanDerWaalsContact O-N 3.13Å; R186-L190 HydrophobicContact CG-CD1 4.21Å; R186-L190 WeakPolarHBondContact O-CG 3.28Å; R186-L190 PolarHBondContact O-N 3.49Å; R186-A263 HydrophobicContact CB-CB 3.83Å; R186-A263 HydrophobicContact CG-CB 3.66Å; R186-P310 PolarHBondContact NE-O 2.94Å; R186-P310 PolarHBondContact NH2-O 3.31Å |
| 187 | S | 96.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 176.8 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | C183 L184 R189 L190 F191 L260 G262 A263 | C183-S187 PolarHBondContact O-N 2.71Å; C183-S187 PolarHBondContact O-OG 2.66Å; L184-S187 PolarHBondContact O-N 3.3Å; S187-R189 PolarHBondContact O-N 2.87Å; S187-L190 PolarHBondContact O-N 3.1Å; S187-F191 PolarHBondContact O-N 3.2Å; S187-L260 WeakPolarHBondContact CB-O 3.4Å; S187-L260 PolarHBondContact OG-O 2.88Å; S187-G262 PolarHBondContact OG-N 3.33Å; S187-A263 VanDerWaalsContact OG-CB 3.31Å; S187-A263 WeakPolarHBondContact OG-CB 3.26Å; S187-A263 PolarHBondContact OG-N 3.06Å |
| 188 | H | 95.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 71 Ų | 71 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.6 | -174.9 | -90.3 | 0 | 0 | 0 | 112.2 | L184 R186 F191 V192 | L184-H188 WeakPolarHBondContact O-CB 3.25Å; L184-H188 PolarHBondContact O-N 2.65Å; R186-H188 VanDerWaalsContact C-N 3.32Å; R186-H188 PolarHBondContact O-N 2.74Å; H188-F191 PolarHBondContact O-N 3.12Å; H188-V192 WeakPolarHBondContact O-CG2 3.08Å; H188-V192 PolarHBondContact O-N 3.15Å |
| 189 | R | 95.3 | Very high | 90.5 | Very high | 136 Ų | 136 | 75 Ų | 75 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.7 | -75.8 | -176.5 | -70.8 | 172.9 | -0.1 | 112.2 | N185 R186 S187 F191 V192 A193 | N185-R189 WeakPolarHBondContact O-CG 3.34Å; N185-R189 PolarHBondContact O-N 2.79Å; N185-R189 VanDerWaalsContact O-N 3.15Å; N185-R189 PolarHBondContact O-NE 3.29Å; R186-R189 WeakPolarHBondContact O-CB 3.39Å; R186-R189 PolarHBondContact O-N 3.3Å; R186-R189 VanDerWaalsContact O-N 3.13Å; S187-R189 PolarHBondContact O-N 2.87Å; R189-F191 VanDerWaalsContact C-N 3.35Å; R189-V192 PolarHBondContact O-N 3.08Å; R189-A193 WeakPolarHBondContact O-CB 3.32Å; R189-A193 PolarHBondContact O-N 3.45Å |
| 190 | L | 96.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.9 | -69.4 | 169.8 | 0 | 0 | 0 | 111.4 | R186 S187 A193 A194 F253 V257 G262 T295 | R186-L190 HydrophobicContact CG-CD1 4.21Å; R186-L190 WeakPolarHBondContact O-CG 3.28Å; R186-L190 PolarHBondContact O-N 3.49Å; S187-L190 PolarHBondContact O-N 3.1Å; L190-A193 PolarHBondContact O-N 3.15Å; L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 2.77Å; L190-F253 HydrophobicContact CD1-CZ 4.22Å; L190-F253 HydrophobicContact CD2-CZ 4.22Å; L190-V257 HydrophobicContact CB-CG1 4.23Å; L190-V257 HydrophobicContact CB-CG2 4.02Å; L190-G262 VanDerWaalsContact CD1-C 3.42Å; L190-T295 HydrophobicContact CD2-CG2 3.61Å |
| 191 | F | 96.9 | Very high | 91.7 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.8 | 178.7 | -96.1 | 0 | 0 | 0 | 112.1 | S187 H188 R189 A193 A194 Q195 V257 L260 | S187-F191 PolarHBondContact O-N 3.2Å; H188-F191 PolarHBondContact O-N 3.12Å; R189-F191 VanDerWaalsContact C-N 3.35Å; F191-A193 VanDerWaalsContact C-N 3.33Å; F191-A193 PolarHBondContact O-N 3.04Å; F191-A194 PolarHBondContact O-N 3.12Å; F191-Q195 HydrophobicContact CD1-CG 4.17Å; F191-Q195 HydrophobicContact CE1-CG 3.77Å; F191-Q195 HydrophobicContact CE2-CG 4.36Å; F191-Q195 HydrophobicContact CZ-CG 3.89Å; F191-Q195 WeakPolarHBondContact O-CG 3.33Å; F191-Q195 PolarHBondContact O-N 3.35Å; F191-V257 HydrophobicContact CB-CG1 4.28Å; F191-V257 WeakPolarHBondContact CD2-O 3.39Å; F191-L260 HydrophobicContact CB-CD2 3.67Å; F191-L260 HydrophobicContact CD1-CD2 4.19Å; F191-L260 HydrophobicContact CD2-CD2 4.25Å; F191-L260 HydrophobicContact CG-CD2 3.78Å |
| 192 | V | 95.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 71.2 Ų | 71.2 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | H188 R189 Q195 R196 | H188-V192 WeakPolarHBondContact O-CG2 3.08Å; H188-V192 PolarHBondContact O-N 3.15Å; R189-V192 PolarHBondContact O-N 3.08Å; V192-Q195 PolarHBondContact O-N 2.92Å; V192-R196 WeakPolarHBondContact O-CG 3.45Å; V192-R196 PolarHBondContact O-N 3.25Å; V192-R196 VanDerWaalsContact O-N 3.07Å |
| 193 | A | 93.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 70 Ų | 70 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R189 L190 F191 Q195 R196 I197 | R189-A193 WeakPolarHBondContact O-CB 3.32Å; R189-A193 PolarHBondContact O-N 3.45Å; L190-A193 PolarHBondContact O-N 3.15Å; F191-A193 VanDerWaalsContact C-N 3.33Å; F191-A193 PolarHBondContact O-N 3.04Å; A193-Q195 VanDerWaalsContact C-N 3.33Å; A193-Q195 PolarHBondContact O-N 2.9Å; A193-R196 WeakPolarHBondContact O-CB 3.46Å; A193-R196 PolarHBondContact O-N 3.21Å; A193-R196 VanDerWaalsContact O-N 3.13Å; A193-I197 PolarHBondContact O-N 3.32Å; A193-I197 VanDerWaalsContact O-N 3.15Å |
| 194 | A | 93.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 72.7 Ų | 72.7 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 F191 R196 I197 S198 V257 | L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 2.77Å; F191-A194 PolarHBondContact O-N 3.12Å; A194-R196 VanDerWaalsContact C-N 3.33Å; A194-R196 PolarHBondContact O-N 3.01Å; A194-I197 PolarHBondContact O-N 2.75Å; A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.89Å; A194-V257 HydrophobicContact CB-CG1 3.81Å |
| 195 | Q | 93.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 175.4 | -71.6 | -61.3 | -26.5 | 0 | 0 | 112.8 | F191 V192 A193 N199 | F191-Q195 HydrophobicContact CD1-CG 4.17Å; F191-Q195 HydrophobicContact CE1-CG 3.77Å; F191-Q195 HydrophobicContact CE2-CG 4.36Å; F191-Q195 HydrophobicContact CZ-CG 3.89Å; F191-Q195 WeakPolarHBondContact O-CG 3.33Å; F191-Q195 PolarHBondContact O-N 3.35Å; V192-Q195 PolarHBondContact O-N 2.92Å; A193-Q195 VanDerWaalsContact C-N 3.33Å; A193-Q195 PolarHBondContact O-N 2.9Å; Q195-N199 WeakPolarHBondContact O-CB 3.11Å; Q195-N199 PolarHBondContact O-N 3.43Å; Q195-N199 PolarHBondContact O-ND2 2.81Å; Q195-N199 PolarHBondContact OE1-ND2 2.82Å |
| 196 | R | 90.9 | Very high | 92.4 | Very high | 182 Ų | 182 | 66.5 Ų | 66.5 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 175.1 | -71.8 | 171.8 | -177.4 | 179.5 | 0.6 | 111.5 | V192 A193 A194 N199 S200 | V192-R196 WeakPolarHBondContact O-CG 3.45Å; V192-R196 PolarHBondContact O-N 3.25Å; V192-R196 VanDerWaalsContact O-N 3.07Å; A193-R196 WeakPolarHBondContact O-CB 3.46Å; A193-R196 PolarHBondContact O-N 3.21Å; A193-R196 VanDerWaalsContact O-N 3.13Å; A194-R196 VanDerWaalsContact C-N 3.33Å; A194-R196 PolarHBondContact O-N 3.01Å; R196-N199 PolarHBondContact O-N 3.19Å; R196-S200 WeakPolarHBondContact O-CA 3.5Å; R196-S200 WeakPolarHBondContact O-CB 3.42Å; R196-S200 PolarHBondContact O-N 2.9Å |
| 197 | I | 88.4 | Confident | 92.2 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.1 | -63.1 | 158 | 0 | 0 | 0 | 110.3 | A193 A194 N199 S200 I205 R209 R288 | A193-I197 PolarHBondContact O-N 3.32Å; A193-I197 VanDerWaalsContact O-N 3.15Å; A194-I197 PolarHBondContact O-N 2.75Å; I197-N199 VanDerWaalsContact C-N 3.26Å; I197-N199 PolarHBondContact O-N 3.34Å; I197-S200 PolarHBondContact O-N 2.76Å; I197-I205 HydrophobicContact CG2-CG2 3.94Å; I197-R209 PolarHBondContact O-NH1 3.49Å; I197-R288 WeakPolarHBondContact CD1-O 3.4Å |
| 198 | S | 89.1 | Confident | 91.9 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 46% | 0.462 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -31.3 | 179 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | A194 R209 | A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.89Å; S198-R209 VanDerWaalsContact C-NH1 3.34Å; S198-R209 PolarHBondContact O-NH1 3.49Å |
| 199 | N | 90.5 | Very high | 91.6 | Very high | 120 Ų | 120 | 69.3 Ų | 69.3 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -103.7 | 2.5 | 180 | -63.2 | -48.3 | 0 | 0 | 0 | 113.9 | Q195 R196 I197 S201 | Q195-N199 WeakPolarHBondContact O-CB 3.11Å; Q195-N199 PolarHBondContact O-N 3.43Å; Q195-N199 PolarHBondContact O-ND2 2.81Å; Q195-N199 PolarHBondContact OE1-ND2 2.82Å; R196-N199 PolarHBondContact O-N 3.19Å; I197-N199 VanDerWaalsContact C-N 3.26Å; I197-N199 PolarHBondContact O-N 3.34Å; N199-S201 PolarHBondContact O-N 3.41Å |
| 200 | S | 89.7 | Confident | 91.4 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | trans | -62.9 | 134.8 | -177.3 | -176.6 | 0 | 0 | 0 | 0 | 111 | R196 I197 D202 R209 | R196-S200 WeakPolarHBondContact O-CA 3.5Å; R196-S200 WeakPolarHBondContact O-CB 3.42Å; R196-S200 PolarHBondContact O-N 2.9Å; I197-S200 PolarHBondContact O-N 2.76Å; S200-D202 VanDerWaalsContact C-N 3.35Å; S200-D202 VanDerWaalsContact OG-CB 3.28Å; S200-D202 WeakPolarHBondContact OG-CB 3.31Å; S200-D202 PolarHBondContact OG-N 2.75Å; S200-D202 VanDerWaalsContact OG-N 3.12Å; S200-R209 PolarHBondContact O-NH2 2.85Å | ||
| 201 | S | 90.4 | Very high | 90.9 | Very high | 120 Ų | 120 | 70.2 Ų | 70.2 | 84% | 0.839 | 39% | 0.389 | S | S | * | . | trans | -93.2 | 4.4 | 170.4 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | N199 P203 | N199-S201 PolarHBondContact O-N 3.41Å; S201-P203 WeakPolarHBondContact O-CD 3.45Å | ||
| 202 | D | 91.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | trans | -61.1 | 123.8 | 174.1 | -173.4 | -43.6 | 0 | 0 | 0 | 109.4 | S200 V204 I205 A206 | S200-D202 VanDerWaalsContact C-N 3.35Å; S200-D202 VanDerWaalsContact OG-CB 3.28Å; S200-D202 WeakPolarHBondContact OG-CB 3.31Å; S200-D202 PolarHBondContact OG-N 2.75Å; S200-D202 VanDerWaalsContact OG-N 3.12Å; D202-V204 VanDerWaalsContact C-N 3.27Å; D202-V204 PolarHBondContact O-N 2.74Å; D202-V204 WeakPolarHBondContact OD1-CB 3.26Å; D202-V204 PolarHBondContact OD1-N 3.15Å; D202-I205 HydrophobicContact CB-CB 4.1Å; D202-I205 HydrophobicContact CB-CD1 3.96Å; D202-I205 HydrophobicContact CB-CG1 3.97Å; D202-I205 PolarHBondContact O-N 3.39Å; D202-A206 WeakPolarHBondContact O-CB 3.32Å; D202-A206 PolarHBondContact O-N 2.99Å | ||
| 203 | P | 90.4 | Very high | 90.3 | Very high | 93 Ų | 93 | 74.6 Ų | 74.6 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.3 | -40.4 | 178.9 | -25.5 | 34.1 | 0 | 0 | 0 | 113.4 | S201 I205 A206 D207 | S201-P203 WeakPolarHBondContact O-CD 3.45Å; P203-I205 PolarHBondContact O-N 3.21Å; P203-A206 PolarHBondContact O-N 3.34Å; P203-D207 WeakPolarHBondContact O-CB 3.22Å; P203-D207 VanDerWaalsContact O-CG 3.25Å; P203-D207 PolarHBondContact O-N 3.24Å |
| 204 | V | 89.4 | Confident | 90.1 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | D202 D207 V208 | D202-V204 VanDerWaalsContact C-N 3.27Å; D202-V204 PolarHBondContact O-N 2.74Å; D202-V204 WeakPolarHBondContact OD1-CB 3.26Å; D202-V204 PolarHBondContact OD1-N 3.15Å; V204-D207 PolarHBondContact O-N 2.9Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.47Å |
| 205 | I | 90.2 | Very high | 89.8 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 178 | -59.6 | 178.7 | 0 | 0 | 0 | 110.9 | I197 D202 P203 R209 A289 | I197-I205 HydrophobicContact CG2-CG2 3.94Å; D202-I205 HydrophobicContact CB-CB 4.1Å; D202-I205 HydrophobicContact CB-CD1 3.96Å; D202-I205 HydrophobicContact CB-CG1 3.97Å; D202-I205 PolarHBondContact O-N 3.39Å; P203-I205 PolarHBondContact O-N 3.21Å; I205-R209 WeakPolarHBondContact O-CB 3.19Å; I205-R209 VanDerWaalsContact O-CG 3.27Å; I205-R209 WeakPolarHBondContact O-CG 3.39Å; I205-R209 PolarHBondContact O-N 3.47Å; I205-R209 VanDerWaalsContact O-N 3.09Å; I205-R209 PolarHBondContact O-NE 3.28Å; I205-R209 VanDerWaalsContact O-NE 3.1Å; I205-A289 HydrophobicContact CD1-CB 3.93Å; I205-A289 HydrophobicContact CG1-CB 4.06Å |
| 206 | A | 89.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D202 P203 R209 L210 | D202-A206 WeakPolarHBondContact O-CB 3.32Å; D202-A206 PolarHBondContact O-N 2.99Å; P203-A206 PolarHBondContact O-N 3.34Å; A206-R209 VanDerWaalsContact CA-NH2 3.28Å; A206-R209 PolarHBondContact O-N 2.98Å; A206-L210 WeakPolarHBondContact O-CB 3.37Å; A206-L210 PolarHBondContact O-N 2.92Å |
| 207 | D | 89.7 | Confident | 89.4 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 179.8 | -72 | -15.8 | 0 | 0 | 0 | 111.6 | P203 V204 R209 L210 F211 | P203-D207 WeakPolarHBondContact O-CB 3.22Å; P203-D207 VanDerWaalsContact O-CG 3.25Å; P203-D207 PolarHBondContact O-N 3.24Å; V204-D207 PolarHBondContact O-N 2.9Å; D207-R209 PolarHBondContact O-N 3.06Å; D207-L210 PolarHBondContact O-N 3.33Å; D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 2.99Å |
| 208 | V | 88.9 | Confident | 89.6 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | V204 L210 F211 R212 F286 E287 | V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.47Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.87Å; V208-F211 PolarHBondContact O-N 2.82Å; V208-R212 VanDerWaalsContact O-CG 3.31Å; V208-R212 WeakPolarHBondContact O-CG 3.33Å; V208-R212 PolarHBondContact O-N 3.39Å; V208-F286 HydrophobicContact CG2-CE1 3.82Å; V208-F286 HydrophobicContact CG2-CZ 4.13Å; V208-E287 HydrophobicContact CG1-CB 4.29Å; V208-E287 HydrophobicContact CG1-CG 4.31Å |
| 209 | R | 90.7 | Very high | 89.7 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.6 | -75.1 | 176.8 | -60.8 | 170.7 | -2.1 | 112.1 | I197 S198 S200 I205 A206 D207 R213 | I197-R209 PolarHBondContact O-NH1 3.49Å; S198-R209 VanDerWaalsContact C-NH1 3.34Å; S198-R209 PolarHBondContact O-NH1 3.49Å; S200-R209 PolarHBondContact O-NH2 2.85Å; I205-R209 WeakPolarHBondContact O-CB 3.19Å; I205-R209 VanDerWaalsContact O-CG 3.27Å; I205-R209 WeakPolarHBondContact O-CG 3.39Å; I205-R209 PolarHBondContact O-N 3.47Å; I205-R209 VanDerWaalsContact O-N 3.09Å; I205-R209 PolarHBondContact O-NE 3.28Å; I205-R209 VanDerWaalsContact O-NE 3.1Å; A206-R209 VanDerWaalsContact CA-NH2 3.28Å; A206-R209 PolarHBondContact O-N 2.98Å; D207-R209 PolarHBondContact O-N 3.06Å; R209-R213 WeakPolarHBondContact O-CG 3.24Å; R209-R213 PolarHBondContact O-N 3.35Å |
| 210 | L | 89.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 67 Ų | 67 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 179.4 | -146.1 | 164.6 | 0 | 0 | 0 | 110.2 | A206 D207 V208 R212 R213 Q214 | A206-L210 WeakPolarHBondContact O-CB 3.37Å; A206-L210 PolarHBondContact O-N 2.92Å; D207-L210 PolarHBondContact O-N 3.33Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.87Å; L210-R212 PolarHBondContact O-N 3.35Å; L210-R213 PolarHBondContact O-N 3.27Å; L210-Q214 HydrophobicContact CD2-CG 4.23Å; L210-Q214 WeakPolarHBondContact O-CG 3.27Å; L210-Q214 PolarHBondContact O-N 3.45Å |
| 211 | F | 87.7 | Confident | 90.2 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56 | -49 | 173.6 | 174.3 | -96.4 | 0 | 0 | 0 | 112.1 | D207 V208 R213 Q214 L215 | D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 2.99Å; V208-F211 PolarHBondContact O-N 2.82Å; F211-R213 PolarHBondContact O-N 3.01Å; F211-Q214 WeakPolarHBondContact O-CB 3.46Å; F211-Q214 PolarHBondContact O-N 3.15Å; F211-L215 HydrophobicContact CD1-CD1 4.49Å; F211-L215 HydrophobicContact CE1-CD1 3.98Å; F211-L215 HydrophobicContact CE1-CD2 4.1Å; F211-L215 HydrophobicContact CE1-CG 4.21Å; F211-L215 HydrophobicContact CE2-CD2 4.47Å; F211-L215 HydrophobicContact CZ-CD2 3.87Å; F211-L215 HydrophobicContact CZ-CG 4.44Å; F211-L215 PolarHBondContact O-N 3.49Å |
| 212 | R | 90.2 | Very high | 90.5 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.1 | -38.2 | 178.3 | -74.4 | 173.7 | 62.5 | -167.4 | -2.8 | 112.8 | V208 L210 Q214 L215 D254 | V208-R212 VanDerWaalsContact O-CG 3.31Å; V208-R212 WeakPolarHBondContact O-CG 3.33Å; V208-R212 PolarHBondContact O-N 3.39Å; L210-R212 PolarHBondContact O-N 3.35Å; R212-Q214 VanDerWaalsContact C-N 3.31Å; R212-Q214 PolarHBondContact O-N 3.28Å; R212-L215 PolarHBondContact O-N 3.44Å; R212-D254 IonicContact NH2-OD2 2.69Å; R212-D254 PolarHBondContact NH2-OD2 3.13Å |
| 213 | R | 90 | Very high | 90.8 | Very high | 172 Ų | 172 | 70.4 Ų | 70.4 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -72.7 | -21.4 | 178.5 | -70.5 | 177.6 | -178.4 | -168.7 | 1.1 | 113.8 | R209 L210 F211 F218 | R209-R213 WeakPolarHBondContact O-CG 3.24Å; R209-R213 PolarHBondContact O-N 3.35Å; L210-R213 PolarHBondContact O-N 3.27Å; F211-R213 PolarHBondContact O-N 3.01Å; R213-F218 HydrophobicContact CG-CD2 4.45Å; R213-F218 HydrophobicContact CG-CE1 4.34Å; R213-F218 HydrophobicContact CG-CE2 3.96Å; R213-F218 HydrophobicContact CG-CZ 3.9Å |
| 214 | Q | 88 | Confident | 91.1 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -84.4 | -16.5 | 178 | -69.4 | 174.4 | -10.1 | 0 | 0 | 112.8 | L210 F211 R212 | L210-Q214 HydrophobicContact CD2-CG 4.23Å; L210-Q214 WeakPolarHBondContact O-CG 3.27Å; L210-Q214 PolarHBondContact O-N 3.45Å; F211-Q214 WeakPolarHBondContact O-CB 3.46Å; F211-Q214 PolarHBondContact O-N 3.15Å; R212-Q214 VanDerWaalsContact C-N 3.31Å; R212-Q214 PolarHBondContact O-N 3.28Å |
| 215 | L | 86.5 | Confident | 91.5 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -65.4 | 135.3 | 179 | -67.7 | 173.3 | 0 | 0 | 0 | 110.7 | F211 R212 V217 F218 Q247 | F211-L215 HydrophobicContact CD1-CD1 4.49Å; F211-L215 HydrophobicContact CE1-CD1 3.98Å; F211-L215 HydrophobicContact CE1-CD2 4.1Å; F211-L215 HydrophobicContact CE1-CG 4.21Å; F211-L215 HydrophobicContact CE2-CD2 4.47Å; F211-L215 HydrophobicContact CZ-CD2 3.87Å; F211-L215 HydrophobicContact CZ-CG 4.44Å; F211-L215 PolarHBondContact O-N 3.49Å; R212-L215 PolarHBondContact O-N 3.44Å; L215-V217 HydrophobicContact CB-CG1 4.4Å; L215-V217 PolarHBondContact O-N 2.85Å; L215-V217 VanDerWaalsContact O-N 3.13Å; L215-F218 VanDerWaalsContact O-CB 3.24Å; L215-F218 WeakPolarHBondContact O-CB 3.47Å; L215-F218 PolarHBondContact O-N 3.49Å; L215-Q247 HydrophobicContact CD1-CG 3.64Å |
| 216 | P | 86.1 | Confident | 91.8 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -55.8 | -35.2 | -175.9 | -25.2 | 30.7 | 0 | 0 | 0 | 114.4 | F218 I219 C242 T392 | P216-F218 PolarHBondContact O-N 2.96Å; P216-F218 VanDerWaalsContact O-N 3.11Å; P216-I219 PolarHBondContact O-N 3.27Å; P216-C242 HydrophobicContact CB-CB 4.04Å; P216-C242 HydrophobicContact CG-CB 4.13Å; P216-T392 PolarHBondContact O-OG1 3.21Å |
| 217 | V | 90.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -62.4 | -18.9 | 178.9 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | L215 I219 I220 C242 K244 Q247 I248 F251 | L215-V217 HydrophobicContact CB-CG1 4.4Å; L215-V217 PolarHBondContact O-N 2.85Å; L215-V217 VanDerWaalsContact O-N 3.13Å; V217-I219 PolarHBondContact O-N 3.02Å; V217-I220 HydrophobicContact CG2-CD1 3.91Å; V217-I220 HydrophobicContact CG2-CG1 3.94Å; V217-I220 WeakPolarHBondContact O-CG1 3.36Å; V217-I220 PolarHBondContact O-N 3.12Å; V217-C242 VanDerWaalsContact CB-O 3.28Å; V217-C242 WeakPolarHBondContact CB-O 3.46Å; V217-C242 VanDerWaalsContact CG1-O 3.24Å; V217-C242 WeakPolarHBondContact CG1-O 3.15Å; V217-C242 PolarHBondContact N-O 3.32Å; V217-C242 VanDerWaalsContact N-O 3.11Å; V217-K244 HydrophobicContact CG2-CG 4.18Å; V217-Q247 HydrophobicContact CG1-CB 3.61Å; V217-Q247 HydrophobicContact CG1-CG 3.73Å; V217-I248 HydrophobicContact CG2-CD1 4.16Å; V217-I248 HydrophobicContact CG2-CG1 4.09Å; V217-F251 HydrophobicContact CG1-CE2 4.4Å; V217-F251 HydrophobicContact CG1-CZ 4.41Å |
| 218 | F | 92.2 | Very high | 92.6 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -62.7 | -29.3 | 179.9 | -164.6 | -87.7 | 0 | 0 | 0 | 112.4 | R213 L215 P216 I220 K221 F251 | R213-F218 HydrophobicContact CG-CD2 4.45Å; R213-F218 HydrophobicContact CG-CE1 4.34Å; R213-F218 HydrophobicContact CG-CE2 3.96Å; R213-F218 HydrophobicContact CG-CZ 3.9Å; L215-F218 VanDerWaalsContact O-CB 3.24Å; L215-F218 WeakPolarHBondContact O-CB 3.47Å; L215-F218 PolarHBondContact O-N 3.49Å; P216-F218 PolarHBondContact O-N 2.96Å; P216-F218 VanDerWaalsContact O-N 3.11Å; F218-I220 VanDerWaalsContact C-N 3.26Å; F218-I220 PolarHBondContact O-N 3.26Å; F218-K221 VanDerWaalsContact O-CB 3.31Å; F218-K221 WeakPolarHBondContact O-CB 3.5Å; F218-K221 PolarHBondContact O-N 3.42Å; F218-F251 HydrophobicContact CB-CZ 4.43Å; F218-F251 AromaticContact CD2-CE1 3.91Å; F218-F251 HydrophobicContact CD2-CE1 3.91Å; F218-F251 AromaticContact CD2-CZ 3.87Å; F218-F251 HydrophobicContact CD2-CZ 3.87Å; F218-F251 HydrophobicContact CE2-CE1 4.2Å; F218-F251 HydrophobicContact CG-CZ 4.44Å |
| 219 | I | 92 | Very high | 92.9 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 77% | 0.774 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -61.4 | -35.7 | 179.8 | -63.3 | 172.6 | 0 | 0 | 0 | 111.4 | P216 V217 K221 | P216-I219 PolarHBondContact O-N 3.27Å; V217-I219 PolarHBondContact O-N 3.02Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.16Å |
| 220 | I | 93.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -86.7 | 2.4 | -177 | 66.5 | 157.2 | 0 | 0 | 0 | 113.5 | V217 F218 N222 E223 L224 V236 I390 | V217-I220 HydrophobicContact CG2-CD1 3.91Å; V217-I220 HydrophobicContact CG2-CG1 3.94Å; V217-I220 WeakPolarHBondContact O-CG1 3.36Å; V217-I220 PolarHBondContact O-N 3.12Å; F218-I220 VanDerWaalsContact C-N 3.26Å; F218-I220 PolarHBondContact O-N 3.26Å; I220-N222 PolarHBondContact O-N 3.46Å; I220-E223 PolarHBondContact O-N 3.47Å; I220-L224 VanDerWaalsContact O-CB 3.32Å; I220-L224 WeakPolarHBondContact O-CB 3.4Å; I220-L224 PolarHBondContact O-N 2.81Å; I220-V236 HydrophobicContact CD1-CG1 3.62Å; I220-I390 HydrophobicContact CB-CG2 3.87Å; I220-I390 HydrophobicContact CD1-CG2 3.75Å; I220-I390 HydrophobicContact CG1-CG2 4.42Å; I220-I390 HydrophobicContact CG2-CG2 3.88Å |
| 221 | K | 96.2 | Very high | 93.5 | Very high | 55 Ų | 55 | 66 Ų | 66 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.9 | -53.1 | -172.8 | 176.3 | 179.2 | 176.6 | -178.1 | 0 | 112.9 | F218 I219 L224 L225 F251 | F218-K221 VanDerWaalsContact O-CB 3.31Å; F218-K221 WeakPolarHBondContact O-CB 3.5Å; F218-K221 PolarHBondContact O-N 3.42Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.16Å; K221-L224 PolarHBondContact O-N 3.19Å; K221-L225 HydrophobicContact CG-CD1 4.27Å; K221-L225 WeakPolarHBondContact O-CG 3.45Å; K221-L225 PolarHBondContact O-N 3.1Å; K221-L225 VanDerWaalsContact O-N 3.13Å; K221-F251 HydrophobicContact CB-CD2 3.93Å; K221-F251 HydrophobicContact CB-CE2 3.86Å; K221-F251 HydrophobicContact CB-CG 4.3Å; K221-F251 HydrophobicContact CB-CZ 4.17Å; K221-F251 HydrophobicContact CD-CD1 3.8Å; K221-F251 HydrophobicContact CD-CE1 4.04Å; K221-F251 HydrophobicContact CD-CG 4.08Å; K221-F251 HydrophobicContact CG-CB 4.17Å; K221-F251 HydrophobicContact CG-CD1 4Å; K221-F251 HydrophobicContact CG-CD2 3.88Å; K221-F251 HydrophobicContact CG-CE1 4.35Å; K221-F251 HydrophobicContact CG-CE2 4.24Å; K221-F251 HydrophobicContact CG-CG 3.75Å; K221-F251 HydrophobicContact CG-CZ 4.45Å |
| 222 | N | 96.8 | Very high | 94 | Very high | 126 Ų | 126 | 65.4 Ų | 65.4 | 67% | 0.674 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -73.3 | -36.3 | -174.9 | -64.4 | -21.3 | 0 | 0 | 0 | 112 | I220 L224 L225 A226 | I220-N222 PolarHBondContact O-N 3.46Å; N222-L224 VanDerWaalsContact C-N 3.34Å; N222-L225 PolarHBondContact O-N 3.33Å; N222-A226 WeakPolarHBondContact O-CB 3.4Å; N222-A226 PolarHBondContact O-N 2.93Å |
| 223 | E | 97.3 | Very high | 94.4 | Very high | 112 Ų | 112 | 64.6 Ų | 64.6 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 174.7 | -175.2 | -175.4 | 171.9 | 0 | 0 | 111 | I220 A227 I390 | I220-E223 PolarHBondContact O-N 3.47Å; E223-A227 WeakPolarHBondContact O-CB 3.09Å; E223-A227 PolarHBondContact O-N 3.33Å; E223-I390 HydrophobicContact CG-CD1 4.09Å; E223-I390 HydrophobicContact CG-CG1 4.43Å |
| 224 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 177.3 | 176.2 | 62.6 | 0 | 0 | 0 | 112.5 | I220 K221 N222 A227 L228 V234 V236 I248 I390 | I220-L224 VanDerWaalsContact O-CB 3.32Å; I220-L224 WeakPolarHBondContact O-CB 3.4Å; I220-L224 PolarHBondContact O-N 2.81Å; K221-L224 PolarHBondContact O-N 3.19Å; N222-L224 VanDerWaalsContact C-N 3.34Å; L224-A227 PolarHBondContact O-N 2.97Å; L224-L228 HydrophobicContact CD1-CD1 4.03Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.07Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.5Å; L224-V234 HydrophobicContact CD1-CG1 4.06Å; L224-V236 HydrophobicContact CD1-CG2 3.78Å; L224-I248 HydrophobicContact CD2-CB 4.33Å; L224-I248 HydrophobicContact CD2-CD1 4.44Å; L224-I248 HydrophobicContact CD2-CG1 3.87Å; L224-I248 HydrophobicContact CD2-CG2 3.85Å; L224-I390 HydrophobicContact CB-CD1 4.13Å; L224-I390 HydrophobicContact CD1-CD1 4.09Å |
| 225 | L | 98 | Very high | 95.2 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 178.9 | -69.2 | 173.1 | 0 | 0 | 0 | 111.1 | K221 N222 A227 L228 E229 D255 | K221-L225 HydrophobicContact CG-CD1 4.27Å; K221-L225 WeakPolarHBondContact O-CG 3.45Å; K221-L225 PolarHBondContact O-N 3.1Å; K221-L225 VanDerWaalsContact O-N 3.13Å; N222-L225 PolarHBondContact O-N 3.33Å; L225-A227 PolarHBondContact O-N 3.35Å; L225-L228 PolarHBondContact O-N 2.84Å; L225-E229 PolarHBondContact O-N 3.06Å; L225-E229 VanDerWaalsContact O-N 3.1Å; L225-D255 HydrophobicContact CD1-CB 4.08Å; L225-D255 HydrophobicContact CD2-CB 3.88Å |
| 226 | A | 97.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N222 L228 E229 D230 | N222-A226 WeakPolarHBondContact O-CB 3.4Å; N222-A226 PolarHBondContact O-N 2.93Å; A226-L228 VanDerWaalsContact C-N 3.3Å; A226-L228 PolarHBondContact O-N 3.43Å; A226-E229 WeakPolarHBondContact O-CB 3.49Å; A226-E229 PolarHBondContact O-N 2.97Å; A226-D230 PolarHBondContact O-N 3.47Å |
| 227 | A | 97.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E223 L224 L225 D230 H231 V234 I390 | E223-A227 WeakPolarHBondContact O-CB 3.09Å; E223-A227 PolarHBondContact O-N 3.33Å; L224-A227 PolarHBondContact O-N 2.97Å; L225-A227 PolarHBondContact O-N 3.35Å; A227-D230 PolarHBondContact O-N 2.66Å; A227-H231 WeakPolarHBondContact O-CB 3.36Å; A227-H231 PolarHBondContact O-N 3.24Å; A227-H231 PolarHBondContact O-ND1 2.7Å; A227-V234 HydrophobicContact CB-CG2 4.12Å; A227-I390 HydrophobicContact CB-CD1 3.9Å |
| 228 | L | 97.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.6 | -25.1 | 177.7 | -74.2 | 171.4 | 0 | 0 | 0 | 113.5 | L224 L225 A226 V234 I252 K367 I369 | L224-L228 HydrophobicContact CD1-CD1 4.03Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.07Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.5Å; L225-L228 PolarHBondContact O-N 2.84Å; A226-L228 VanDerWaalsContact C-N 3.3Å; A226-L228 PolarHBondContact O-N 3.43Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG2 3.73Å; L228-V234 HydrophobicContact CG-CG2 4.19Å; L228-I252 HydrophobicContact CD1-CD1 3.74Å; L228-I252 HydrophobicContact CD1-CG1 3.73Å; L228-K367 HydrophobicContact CD2-CB 4.46Å; L228-K367 WeakPolarHBondContact O-CE 3.32Å; L228-K367 PolarHBondContact O-NZ 3.16Å; L228-I369 HydrophobicContact CD1-CD1 4.4Å; L228-I369 HydrophobicContact CD1-CG1 4.39Å; L228-I369 HydrophobicContact CD2-CD1 3.8Å; L228-I369 HydrophobicContact CD2-CG1 3.87Å |
| 229 | E | 95.5 | Very high | 94.9 | Very high | 135 Ų | 135 | 47.9 Ų | 47.9 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.9 | -48.3 | 169.5 | -71.2 | 178.3 | 175.3 | 0 | 0 | 110.3 | L225 A226 | L225-E229 PolarHBondContact O-N 3.06Å; L225-E229 VanDerWaalsContact O-N 3.1Å; A226-E229 WeakPolarHBondContact O-CB 3.49Å; A226-E229 PolarHBondContact O-N 2.97Å |
| 230 | D | 95.9 | Very high | 94 | Very high | 132 Ų | 132 | 42.2 Ų | 42.2 | 71% | 0.706 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -83.9 | -26 | -172.9 | -70.6 | -29.7 | 0 | 0 | 0 | 114.6 | A226 A227 | A226-D230 PolarHBondContact O-N 3.47Å; A227-D230 PolarHBondContact O-N 2.66Å |
| 231 | H | 97.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | trans | -123.6 | 146 | -173 | -57.5 | 79.5 | 0 | 0 | 0 | 111.7 | A227 V234 K367 P388 | A227-H231 WeakPolarHBondContact O-CB 3.36Å; A227-H231 PolarHBondContact O-N 3.24Å; A227-H231 PolarHBondContact O-ND1 2.7Å; H231-V234 HydrophobicContact CB-CG2 4.34Å; H231-K367 WeakPolarHBondContact O-CD 3.31Å; H231-K367 PolarHBondContact O-NZ 3.35Å; H231-P388 HydrophobicContact CB-CG 4.03Å; H231-P388 VanDerWaalsContact CD2-CD 3.48Å; H231-P388 WeakPolarHBondContact CD2-CD 3.13Å | ||
| 232 | Q | 97.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78.5 | -32.5 | 174.8 | -161 | -174.4 | 17 | 0 | 0 | 111.9 | L360 M363 M366 K367 L368 | Q232-L360 HydrophobicContact CG-CD2 4.1Å; Q232-L360 PolarHBondContact NE2-O 2.93Å; Q232-M363 PolarHBondContact NE2-O 3.14Å; Q232-M366 WeakPolarHBondContact CG-O 3.33Å; Q232-M366 PolarHBondContact NE2-O 2.89Å; Q232-K367 HydrophobicContact CG-CD 4.49Å; Q232-K367 CarbonylContact O-C 3.58Å; Q232-K367 WeakPolarHBondContact O-CA 3.49Å; Q232-L368 PolarHBondContact O-N 3.42Å |
| 233 | V | 98.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.5 | -178.8 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | L360 L368 F384 C387 | V233-L360 HydrophobicContact CG2-CD1 3.71Å; V233-L368 CarbonylContact C-O 3.54Å; V233-L368 VanDerWaalsContact CA-O 3.26Å; V233-L368 WeakPolarHBondContact CA-O 2.98Å; V233-L368 HydrophobicContact CG1-CB 4.24Å; V233-L368 HydrophobicContact CG1-CD2 4.03Å; V233-L368 HydrophobicContact CG1-CG 4.15Å; V233-L368 HydrophobicContact CG2-CB 4.22Å; V233-L368 HydrophobicContact CG2-CD2 4.43Å; V233-F384 HydrophobicContact CB-CB 4.3Å; V233-F384 HydrophobicContact CG1-CB 3.88Å; V233-F384 HydrophobicContact CG1-CD1 4.26Å; V233-F384 HydrophobicContact CG1-CD2 4.4Å; V233-F384 HydrophobicContact CG1-CG 3.94Å; V233-F384 HydrophobicContact CG2-CB 4.37Å; V233-F384 HydrophobicContact CG2-CD1 4.12Å; V233-F384 HydrophobicContact CG2-CG 4.48Å; V233-C387 HydrophobicContact CB-CB 3.95Å; V233-C387 HydrophobicContact CG1-CB 4.26Å; V233-C387 WeakPolarHBondContact O-CB 3.38Å |
| 234 | V | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.8 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | L224 A227 L228 H231 V236 L368 I369 L370 P388 I390 | L224-V234 HydrophobicContact CD1-CG1 4.06Å; A227-V234 HydrophobicContact CB-CG2 4.12Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG2 3.73Å; L228-V234 HydrophobicContact CG-CG2 4.19Å; H231-V234 HydrophobicContact CB-CG2 4.34Å; V234-V236 HydrophobicContact CG1-CG2 4.31Å; V234-L368 PolarHBondContact N-O 3.1Å; V234-I369 WeakPolarHBondContact O-CA 3.31Å; V234-L370 PolarHBondContact O-N 3.35Å; V234-P388 HydrophobicContact CG2-CG 4.13Å; V234-I390 HydrophobicContact CG1-CD1 4Å; V234-I390 HydrophobicContact CG1-CG1 4.3Å |
| 235 | V | 97 | Very high | 91 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.8 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 109 | L370 T377 F380 P388 V389 I390 | V235-L370 CarbonylContact C-O 3.56Å; V235-L370 WeakPolarHBondContact CA-O 3.43Å; V235-L370 HydrophobicContact CG2-CB 4.26Å; V235-L370 HydrophobicContact CG2-CD1 4.19Å; V235-T377 HydrophobicContact CG1-CG2 4.37Å; V235-F380 HydrophobicContact CG2-CB 4.11Å; V235-P388 PolarHBondContact N-O 2.82Å; V235-V389 HydrophobicContact CB-CB 4.45Å; V235-V389 HydrophobicContact CB-CG1 4.29Å; V235-V389 HydrophobicContact CB-CG2 4.11Å; V235-V389 HydrophobicContact CG1-CG1 4.16Å; V235-V389 CarbonylContact O-C 3.57Å; V235-V389 WeakPolarHBondContact O-CA 3.46Å; V235-I390 PolarHBondContact O-N 3.18Å |
| 236 | V | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.3 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | I220 L224 V234 K244 I248 I369 L370 M371 S372 | I220-V236 HydrophobicContact CD1-CG1 3.62Å; L224-V236 HydrophobicContact CD1-CG2 3.78Å; V234-V236 HydrophobicContact CG1-CG2 4.31Å; V236-K244 HydrophobicContact CG1-CD 4.2Å; V236-I248 HydrophobicContact CB-CD1 4.1Å; V236-I248 HydrophobicContact CG1-CD1 3.75Å; V236-I248 HydrophobicContact CG2-CD1 4.23Å; V236-I369 HydrophobicContact CG2-CG2 4.02Å; V236-L370 PolarHBondContact N-O 3.08Å; V236-M371 WeakPolarHBondContact O-CA 3.49Å; V236-S372 PolarHBondContact O-N 3.4Å |
| 237 | A | 91.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S372 T377 V389 I390 H391 T392 | A237-S372 WeakPolarHBondContact CA-O 3.34Å; A237-T377 HydrophobicContact CB-CG2 3.4Å; A237-T377 VanDerWaalsContact CB-CG2 3.4Å; A237-V389 HydrophobicContact CB-CG1 4.29Å; A237-I390 PolarHBondContact N-O 3Å; A237-H391 CarbonylContact O-C 3.55Å; A237-H391 WeakPolarHBondContact O-CA 3.31Å; A237-T392 PolarHBondContact O-N 2.85Å |
| 238 | G | 84.9 | Confident | 90.7 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 160 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | K244 S372 A373 T392 | G238-K244 PolarHBondContact O-NZ 2.95Å; G238-S372 PolarHBondContact N-O 2.76Å; G238-A373 WeakPolarHBondContact O-CA 3.31Å; G238-T392 WeakPolarHBondContact CA-O 3.37Å |
| 239 | D | 77.1 | Confident | 90.7 | Very high | 47 Ų | 47 | 28.9 Ų | 28.9 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | trans | -58.4 | 158.5 | -177.5 | -69.7 | -22.4 | 0 | 0 | 0 | 113 | G241 C242 K244 | D239-G241 PolarHBondContact O-N 3.09Å; D239-C242 PolarHBondContact O-N 3.47Å; D239-C242 PolarHBondContact O-SG 3.42Å; D239-K244 PolarHBondContact O-NZ 2.77Å | ||
| 240 | T | 73.3 | Confident | 90.8 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 20% | 0.202 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 138.9 | 173 | 62.7 | 0 | 0 | 0 | 0 | 110 | ||
| 241 | G | 71.1 | Confident | 90.9 | Very high | 48 Ų | 48 | 16.2 Ų | 16.2 | 50% | 0.495 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -4.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D239 G243 | D239-G241 PolarHBondContact O-N 3.09Å; G241-G243 PolarHBondContact O-N 2.92Å |
| 242 | C | 79.6 | Confident | 90.9 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -72.3 | -4.8 | 177.4 | 67.5 | 0 | 0 | 0 | 0 | 114.8 | P216 V217 D239 K244 | P216-C242 HydrophobicContact CB-CB 4.04Å; P216-C242 HydrophobicContact CG-CB 4.13Å; V217-C242 VanDerWaalsContact CB-O 3.28Å; V217-C242 WeakPolarHBondContact CB-O 3.46Å; V217-C242 VanDerWaalsContact CG1-O 3.24Å; V217-C242 WeakPolarHBondContact CG1-O 3.15Å; V217-C242 PolarHBondContact N-O 3.32Å; V217-C242 VanDerWaalsContact N-O 3.11Å; D239-C242 PolarHBondContact O-N 3.47Å; D239-C242 PolarHBondContact O-SG 3.42Å; C242-K244 VanDerWaalsContact SG-CG 3.57Å |
| 243 | G | 85.6 | Confident | 91 | Very high | 13 Ų | 13 | 9.9 Ų | 9.9 | 13% | 0.134 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 102.8 | 2.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G241 T245 T246 Q247 | G241-G243 PolarHBondContact O-N 2.92Å; G243-T245 PolarHBondContact O-N 3.19Å; G243-T246 PolarHBondContact O-N 3.06Å; G243-Q247 WeakPolarHBondContact O-CB 3.39Å; G243-Q247 WeakPolarHBondContact O-CG 3.39Å; G243-Q247 PolarHBondContact O-N 3.06Å |
| 244 | K | 91.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 11.1 Ų | 11.1 | 6% | 0.061 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -46.6 | -59.4 | -176.2 | -67.4 | -175.7 | -52.1 | -69.3 | 0 | 113.5 | V217 V236 G238 D239 C242 T246 Q247 I248 M371 | V217-K244 HydrophobicContact CG2-CG 4.18Å; V236-K244 HydrophobicContact CG1-CD 4.2Å; G238-K244 PolarHBondContact O-NZ 2.95Å; D239-K244 PolarHBondContact O-NZ 2.77Å; C242-K244 VanDerWaalsContact SG-CG 3.57Å; K244-T246 VanDerWaalsContact C-N 3.27Å; K244-T246 PolarHBondContact O-N 3.41Å; K244-Q247 PolarHBondContact O-N 3.18Å; K244-I248 HydrophobicContact CB-CD1 3.83Å; K244-I248 HydrophobicContact CG-CD1 4.01Å; K244-I248 WeakPolarHBondContact O-CB 3.15Å; K244-I248 PolarHBondContact O-N 3.43Å; K244-M371 HydrophobicContact CB-SD 3.93Å |
| 245 | T | 92 | Very high | 90.9 | Very high | 21 Ų | 21 | 13 Ų | 13 | 13% | 0.129 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.2 | -36 | -172.5 | -47.1 | 0 | 0 | 0 | 0 | 113.9 | G243 P249 M280 F315 D340 | G243-T245 PolarHBondContact O-N 3.19Å; T245-P249 WeakPolarHBondContact O-CD 3.26Å; T245-P249 WeakPolarHBondContact O-CG 3.47Å; T245-M280 HydrophobicContact CG2-CB 4.17Å; T245-M280 HydrophobicContact CG2-CG 3.61Å; T245-M280 HydrophobicContact CG2-SD 3.6Å; T245-F315 HydrophobicContact CG2-CE1 4Å; T245-D340 VanDerWaalsContact CB-OD2 3.26Å; T245-D340 WeakPolarHBondContact CB-OD2 3.45Å; T245-D340 WeakPolarHBondContact CG2-OD2 3.42Å; T245-D340 PolarHBondContact OG1-OD2 3.41Å |
| 246 | T | 92.4 | Very high | 91 | Very high | 13 Ų | 13 | 16.1 Ų | 16.1 | 8% | 0.08 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -97.2 | -37.5 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | G243 K244 Q250 M280 R283 L284 | G243-T246 PolarHBondContact O-N 3.06Å; K244-T246 VanDerWaalsContact C-N 3.27Å; K244-T246 PolarHBondContact O-N 3.41Å; T246-Q250 WeakPolarHBondContact O-CG 3.38Å; T246-Q250 PolarHBondContact O-NE2 2.71Å; T246-M280 HydrophobicContact CG2-SD 4.21Å; T246-R283 HydrophobicContact CG2-CG 3.97Å; T246-L284 WeakPolarHBondContact O-CD1 3.35Å |
| 247 | Q | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -83.6 | -37.8 | -173.3 | -60.1 | -44.2 | -67.7 | 0 | 0 | 113.8 | L215 V217 G243 K244 Q250 F251 E287 | L215-Q247 HydrophobicContact CD1-CG 3.64Å; V217-Q247 HydrophobicContact CG1-CB 3.61Å; V217-Q247 HydrophobicContact CG1-CG 3.73Å; G243-Q247 WeakPolarHBondContact O-CB 3.39Å; G243-Q247 WeakPolarHBondContact O-CG 3.39Å; G243-Q247 PolarHBondContact O-N 3.06Å; K244-Q247 PolarHBondContact O-N 3.18Å; Q247-Q250 CarbonylContact O-C 3.57Å; Q247-Q250 WeakPolarHBondContact O-CB 3.49Å; Q247-Q250 PolarHBondContact O-N 3.4Å; Q247-Q250 VanDerWaalsContact O-N 3.12Å; Q247-F251 HydrophobicContact CB-CE1 3.86Å; Q247-F251 HydrophobicContact CB-CE2 3.96Å; Q247-F251 HydrophobicContact CB-CZ 3.54Å; Q247-F251 HydrophobicContact CG-CZ 4.32Å; Q247-F251 VanDerWaalsContact O-CD1 3.26Å; Q247-F251 WeakPolarHBondContact O-CD1 3.07Å; Q247-F251 WeakPolarHBondContact O-CG 3.35Å; Q247-F251 PolarHBondContact O-N 3.41Å; Q247-E287 PolarHBondContact NE2-OE2 2.98Å |
| 248 | I | 97.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | -177.1 | -71.4 | 168 | 0 | 0 | 0 | 112.1 | V217 L224 V236 K244 Q250 F251 I252 I338 I369 M371 | V217-I248 HydrophobicContact CG2-CD1 4.16Å; V217-I248 HydrophobicContact CG2-CG1 4.09Å; L224-I248 HydrophobicContact CD2-CB 4.33Å; L224-I248 HydrophobicContact CD2-CD1 4.44Å; L224-I248 HydrophobicContact CD2-CG1 3.87Å; L224-I248 HydrophobicContact CD2-CG2 3.85Å; V236-I248 HydrophobicContact CB-CD1 4.1Å; V236-I248 HydrophobicContact CG1-CD1 3.75Å; V236-I248 HydrophobicContact CG2-CD1 4.23Å; K244-I248 HydrophobicContact CB-CD1 3.83Å; K244-I248 HydrophobicContact CG-CD1 4.01Å; K244-I248 WeakPolarHBondContact O-CB 3.15Å; K244-I248 PolarHBondContact O-N 3.43Å; I248-Q250 PolarHBondContact O-N 3.46Å; I248-F251 PolarHBondContact O-N 2.96Å; I248-F251 VanDerWaalsContact O-N 3.14Å; I248-I252 HydrophobicContact CG2-CD1 4.1Å; I248-I252 WeakPolarHBondContact O-CG1 3.47Å; I248-I252 PolarHBondContact O-N 3.21Å; I248-I338 HydrophobicContact CG2-CD1 4.19Å; I248-I369 HydrophobicContact CG2-CG2 4.48Å; I248-M371 HydrophobicContact CB-SD 4.18Å; I248-M371 HydrophobicContact CD1-CG 4.33Å; I248-M371 HydrophobicContact CD1-SD 3.58Å; I248-M371 VanDerWaalsContact CD1-SD 3.58Å; I248-M371 HydrophobicContact CG1-SD 4.45Å; I248-M371 HydrophobicContact CG2-SD 4.32Å |
| 249 | P | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -38.2 | 174.1 | -22 | 31.2 | 0 | 0 | 0 | 112.3 | T245 F253 I267 V269 I313 I338 | T245-P249 WeakPolarHBondContact O-CD 3.26Å; T245-P249 WeakPolarHBondContact O-CG 3.47Å; P249-F253 VanDerWaalsContact O-CB 3.23Å; P249-F253 WeakPolarHBondContact O-CB 3.27Å; P249-F253 PolarHBondContact O-N 2.95Å; P249-I267 HydrophobicContact CB-CG2 4.47Å; P249-I267 WeakPolarHBondContact O-CD1 3.34Å; P249-V269 HydrophobicContact CB-CG2 4.23Å; P249-V269 HydrophobicContact CG-CG2 3.72Å; P249-I313 HydrophobicContact CB-CD1 4.14Å; P249-I313 HydrophobicContact CB-CG2 3.82Å; P249-I338 HydrophobicContact CB-CD1 4.15Å; P249-I338 HydrophobicContact CG-CD1 3.78Å |
| 250 | Q | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69 | -38 | 177.1 | -69.7 | 178.8 | 91.2 | 0 | 0 | 112.6 | T246 Q247 I248 I252 F253 D254 L284 E287 | T246-Q250 WeakPolarHBondContact O-CG 3.38Å; T246-Q250 PolarHBondContact O-NE2 2.71Å; Q247-Q250 CarbonylContact O-C 3.57Å; Q247-Q250 WeakPolarHBondContact O-CB 3.49Å; Q247-Q250 PolarHBondContact O-N 3.4Å; Q247-Q250 VanDerWaalsContact O-N 3.12Å; I248-Q250 PolarHBondContact O-N 3.46Å; Q250-I252 VanDerWaalsContact C-N 3.32Å; Q250-I252 PolarHBondContact O-N 2.74Å; Q250-F253 PolarHBondContact O-N 2.98Å; Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 PolarHBondContact O-N 2.73Å; Q250-L284 HydrophobicContact CG-CD1 3.55Å; Q250-L284 HydrophobicContact CG-CG 4.4Å; Q250-E287 PolarHBondContact NE2-OE2 3.36Å |
| 251 | F | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 178.2 | -63.2 | -17.5 | 0 | 0 | 0 | 111 | V217 F218 K221 Q247 I248 D255 | V217-F251 HydrophobicContact CG1-CE2 4.4Å; V217-F251 HydrophobicContact CG1-CZ 4.41Å; F218-F251 HydrophobicContact CB-CZ 4.43Å; F218-F251 AromaticContact CD2-CE1 3.91Å; F218-F251 HydrophobicContact CD2-CE1 3.91Å; F218-F251 AromaticContact CD2-CZ 3.87Å; F218-F251 HydrophobicContact CD2-CZ 3.87Å; F218-F251 HydrophobicContact CE2-CE1 4.2Å; F218-F251 HydrophobicContact CG-CZ 4.44Å; K221-F251 HydrophobicContact CB-CD2 3.93Å; K221-F251 HydrophobicContact CB-CE2 3.86Å; K221-F251 HydrophobicContact CB-CG 4.3Å; K221-F251 HydrophobicContact CB-CZ 4.17Å; K221-F251 HydrophobicContact CD-CD1 3.8Å; K221-F251 HydrophobicContact CD-CE1 4.04Å; K221-F251 HydrophobicContact CD-CG 4.08Å; K221-F251 HydrophobicContact CG-CB 4.17Å; K221-F251 HydrophobicContact CG-CD1 4Å; K221-F251 HydrophobicContact CG-CD2 3.88Å; K221-F251 HydrophobicContact CG-CE1 4.35Å; K221-F251 HydrophobicContact CG-CE2 4.24Å; K221-F251 HydrophobicContact CG-CG 3.75Å; K221-F251 HydrophobicContact CG-CZ 4.45Å; Q247-F251 HydrophobicContact CB-CE1 3.86Å; Q247-F251 HydrophobicContact CB-CE2 3.96Å; Q247-F251 HydrophobicContact CB-CZ 3.54Å; Q247-F251 HydrophobicContact CG-CZ 4.32Å; Q247-F251 VanDerWaalsContact O-CD1 3.26Å; Q247-F251 WeakPolarHBondContact O-CD1 3.07Å; Q247-F251 WeakPolarHBondContact O-CG 3.35Å; Q247-F251 PolarHBondContact O-N 3.41Å; I248-F251 PolarHBondContact O-N 2.96Å; I248-F251 VanDerWaalsContact O-N 3.14Å; F251-D255 VanDerWaalsContact O-CB 3.31Å; F251-D255 WeakPolarHBondContact O-CB 3.14Å; F251-D255 PolarHBondContact O-N 3Å; F251-D255 VanDerWaalsContact O-N 3.16Å |
| 252 | I | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -50.8 | 177.6 | -61.5 | 166.8 | 0 | 0 | 0 | 110.1 | L228 I248 Q250 D255 Y256 I267 I338 I369 | L228-I252 HydrophobicContact CD1-CD1 3.74Å; L228-I252 HydrophobicContact CD1-CG1 3.73Å; I248-I252 HydrophobicContact CG2-CD1 4.1Å; I248-I252 WeakPolarHBondContact O-CG1 3.47Å; I248-I252 PolarHBondContact O-N 3.21Å; Q250-I252 VanDerWaalsContact C-N 3.32Å; Q250-I252 PolarHBondContact O-N 2.74Å; I252-D255 WeakPolarHBondContact O-CB 3.39Å; I252-D255 PolarHBondContact O-N 2.68Å; I252-Y256 HydrophobicContact CG2-CD2 4.45Å; I252-Y256 WeakPolarHBondContact O-CD2 3.35Å; I252-Y256 PolarHBondContact O-N 3.2Å; I252-Y256 VanDerWaalsContact O-N 3.16Å; I252-I267 HydrophobicContact CB-CD1 3.91Å; I252-I267 HydrophobicContact CG2-CD1 3.75Å; I252-I338 HydrophobicContact CD1-CD1 4.19Å; I252-I369 HydrophobicContact CD1-CD1 3.96Å; I252-I369 HydrophobicContact CD1-CG1 4.33Å |
| 253 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | -176.7 | -168.5 | -108.6 | 0 | 0 | 0 | 112.4 | L190 P249 Q250 D255 Y256 V257 C265 I267 T295 G311 I313 | L190-F253 HydrophobicContact CD1-CZ 4.22Å; L190-F253 HydrophobicContact CD2-CZ 4.22Å; P249-F253 VanDerWaalsContact O-CB 3.23Å; P249-F253 WeakPolarHBondContact O-CB 3.27Å; P249-F253 PolarHBondContact O-N 2.95Å; Q250-F253 PolarHBondContact O-N 2.98Å; F253-D255 VanDerWaalsContact C-N 3.25Å; F253-D255 PolarHBondContact O-N 3.21Å; F253-Y256 PolarHBondContact O-N 2.91Å; F253-V257 HydrophobicContact CD1-CG2 4.04Å; F253-V257 HydrophobicContact CE1-CG2 3.82Å; F253-V257 HydrophobicContact CZ-CG2 4.1Å; F253-V257 WeakPolarHBondContact O-CB 3.41Å; F253-V257 VanDerWaalsContact O-CG2 3.24Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.03Å; F253-C265 HydrophobicContact CD2-CB 4.06Å; F253-C265 HydrophobicContact CE2-CB 4.28Å; F253-C265 WeakPolarHBondContact CE2-O 3.48Å; F253-I267 HydrophobicContact CB-CD1 3.97Å; F253-T295 HydrophobicContact CZ-CG2 4.49Å; F253-G311 WeakPolarHBondContact CZ-O 3.45Å; F253-I313 HydrophobicContact CB-CD1 3.84Å; F253-I313 HydrophobicContact CB-CG1 4.31Å; F253-I313 HydrophobicContact CD1-CD1 4.27Å; F253-I313 HydrophobicContact CD2-CG1 4.25Å; F253-I313 HydrophobicContact CG-CD1 3.98Å; F253-I313 HydrophobicContact CG-CG1 4.17Å |
| 254 | D | 97.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | 179.5 | -66.6 | -18.3 | 0 | 0 | 0 | 111.3 | R212 Q250 S258 R288 | R212-D254 IonicContact NH2-OD2 2.69Å; R212-D254 PolarHBondContact NH2-OD2 3.13Å; Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 PolarHBondContact O-N 2.73Å; D254-S258 WeakPolarHBondContact O-CB 3.45Å; D254-S258 PolarHBondContact O-N 3.42Å; D254-R288 IonicContact OD1-CZ 2.65Å; D254-R288 IonicContact OD1-NH1 3.34Å; D254-R288 PolarHBondContact OD1-NH1 2.57Å |
| 255 | D | 97.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -52.3 | 174 | -172.5 | 76.9 | 0 | 0 | 0 | 111.6 | L225 F251 I252 F253 V257 S258 Q259 | L225-D255 HydrophobicContact CD1-CB 4.08Å; L225-D255 HydrophobicContact CD2-CB 3.88Å; F251-D255 VanDerWaalsContact O-CB 3.31Å; F251-D255 WeakPolarHBondContact O-CB 3.14Å; F251-D255 PolarHBondContact O-N 3Å; F251-D255 VanDerWaalsContact O-N 3.16Å; I252-D255 WeakPolarHBondContact O-CB 3.39Å; I252-D255 PolarHBondContact O-N 2.68Å; F253-D255 VanDerWaalsContact C-N 3.25Å; F253-D255 PolarHBondContact O-N 3.21Å; D255-V257 VanDerWaalsContact C-N 3.3Å; D255-V257 PolarHBondContact O-N 3.37Å; D255-S258 WeakPolarHBondContact O-CB 3.31Å; D255-S258 PolarHBondContact O-N 3.37Å; D255-S258 PolarHBondContact O-OG 3.44Å; D255-Q259 WeakPolarHBondContact O-CG 3.44Å; D255-Q259 PolarHBondContact O-N 3.35Å; D255-Q259 VanDerWaalsContact O-N 3.12Å; D255-Q259 PolarHBondContact OD2-NE2 3.28Å |
| 256 | Y | 98 | Very high | 96.7 | Very high | 65 Ų | 65 | 29.2 Ų | 29.2 | 26% | 0.255 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 174.8 | -89.6 | -108.6 | 0 | 0 | 0 | 112.5 | I252 F253 S258 Q259 L260 K261 G262 C265 H336 | I252-Y256 HydrophobicContact CG2-CD2 4.45Å; I252-Y256 WeakPolarHBondContact O-CD2 3.35Å; I252-Y256 PolarHBondContact O-N 3.2Å; I252-Y256 VanDerWaalsContact O-N 3.16Å; F253-Y256 PolarHBondContact O-N 2.91Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.09Å; Y256-Q259 PolarHBondContact O-N 2.94Å; Y256-L260 PolarHBondContact O-N 2.93Å; Y256-K261 HydrophobicContact CD1-CB 3.93Å; Y256-K261 CarbonylContact O-C 3.56Å; Y256-K261 WeakPolarHBondContact O-CA 3.44Å; Y256-K261 PolarHBondContact O-N 2.88Å; Y256-G262 PolarHBondContact O-N 3.26Å; Y256-C265 HydrophobicContact CD1-CB 3.7Å; Y256-C265 HydrophobicContact CD2-CB 4.41Å; Y256-C265 HydrophobicContact CE1-CB 4.43Å; Y256-C265 HydrophobicContact CG-CB 3.67Å; Y256-H336 AromaticContact CE2-CE1 3.61Å; Y256-H336 AromaticContact CZ-CE1 3.72Å |
| 257 | V | 97.5 | Very high | 97 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L190 F191 A194 F253 D255 Q259 L260 | L190-V257 HydrophobicContact CB-CG1 4.23Å; L190-V257 HydrophobicContact CB-CG2 4.02Å; F191-V257 HydrophobicContact CB-CG1 4.28Å; F191-V257 WeakPolarHBondContact CD2-O 3.39Å; A194-V257 HydrophobicContact CB-CG1 3.81Å; F253-V257 HydrophobicContact CD1-CG2 4.04Å; F253-V257 HydrophobicContact CE1-CG2 3.82Å; F253-V257 HydrophobicContact CZ-CG2 4.1Å; F253-V257 WeakPolarHBondContact O-CB 3.41Å; F253-V257 VanDerWaalsContact O-CG2 3.24Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.03Å; D255-V257 VanDerWaalsContact C-N 3.3Å; D255-V257 PolarHBondContact O-N 3.37Å; V257-Q259 PolarHBondContact O-N 3.44Å; V257-L260 PolarHBondContact O-N 3.47Å; V257-L260 VanDerWaalsContact O-N 3.07Å |
| 258 | S | 96.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 29.2 Ų | 29.2 | 49% | 0.49 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.4 | -28.8 | 178 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | D254 D255 Y256 L260 | D254-S258 WeakPolarHBondContact O-CB 3.45Å; D254-S258 PolarHBondContact O-N 3.42Å; D255-S258 WeakPolarHBondContact O-CB 3.31Å; D255-S258 PolarHBondContact O-N 3.37Å; D255-S258 PolarHBondContact O-OG 3.44Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.09Å; S258-L260 VanDerWaalsContact C-N 3.31Å |
| 259 | Q | 96.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 29.2 Ų | 29.2 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.9 | 175.9 | -61.6 | -175.2 | 40.6 | 0 | 0 | 113.9 | D255 Y256 V257 K261 | D255-Q259 WeakPolarHBondContact O-CG 3.44Å; D255-Q259 PolarHBondContact O-N 3.35Å; D255-Q259 VanDerWaalsContact O-N 3.12Å; D255-Q259 PolarHBondContact OD2-NE2 3.28Å; Y256-Q259 PolarHBondContact O-N 2.94Å; V257-Q259 PolarHBondContact O-N 3.44Å; Q259-K261 HydrophobicContact CB-CD 4.39Å; Q259-K261 HydrophobicContact CB-CG 4.4Å; Q259-K261 PolarHBondContact O-N 2.96Å |
| 260 | L | 96 | Very high | 97.2 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 39% | 0.387 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 31.2 | -172.5 | -63.3 | 167.9 | 0 | 0 | 0 | 113.9 | S187 F191 Y256 V257 S258 | S187-L260 WeakPolarHBondContact CB-O 3.4Å; S187-L260 PolarHBondContact OG-O 2.88Å; F191-L260 HydrophobicContact CB-CD2 3.67Å; F191-L260 HydrophobicContact CD1-CD2 4.19Å; F191-L260 HydrophobicContact CD2-CD2 4.25Å; F191-L260 HydrophobicContact CG-CD2 3.78Å; Y256-L260 PolarHBondContact O-N 2.93Å; V257-L260 PolarHBondContact O-N 3.47Å; V257-L260 VanDerWaalsContact O-N 3.07Å; S258-L260 VanDerWaalsContact C-N 3.31Å |
| 261 | K | 95.8 | Very high | 97 | Very high | 84 Ų | 84 | 29.2 Ų | 29.2 | 37% | 0.365 | 15% | 0.147 | S | C | . | . | trans | -117.2 | 15.1 | 176.3 | -63.5 | 177.5 | -175.6 | 165.2 | 0 | 113.2 | Y256 Q259 A263 E264 | Y256-K261 HydrophobicContact CD1-CB 3.93Å; Y256-K261 CarbonylContact O-C 3.56Å; Y256-K261 WeakPolarHBondContact O-CA 3.44Å; Y256-K261 PolarHBondContact O-N 2.88Å; Q259-K261 HydrophobicContact CB-CD 4.39Å; Q259-K261 HydrophobicContact CB-CG 4.4Å; Q259-K261 PolarHBondContact O-N 2.96Å; K261-A263 PolarHBondContact O-N 3.37Å; K261-A263 VanDerWaalsContact O-N 3.08Å; K261-E264 WeakPolarHBondContact O-CB 3.3Å; K261-E264 PolarHBondContact O-N 3.23Å | ||
| 262 | G | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S187 L190 Y256 E264 C265 G311 | S187-G262 PolarHBondContact OG-N 3.33Å; L190-G262 VanDerWaalsContact CD1-C 3.42Å; Y256-G262 PolarHBondContact O-N 3.26Å; G262-E264 VanDerWaalsContact C-N 3.26Å; G262-E264 PolarHBondContact O-N 2.86Å; G262-C265 PolarHBondContact O-N 3.39Å; G262-G311 WeakPolarHBondContact O-CA 3.41Å |
| 263 | A | 95 | Very high | 96.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -67.8 | -23 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C183 R186 S187 K261 C265 P310 G311 | C183-A263 WeakPolarHBondContact O-CB 3.43Å; R186-A263 HydrophobicContact CB-CB 3.83Å; R186-A263 HydrophobicContact CG-CB 3.66Å; S187-A263 VanDerWaalsContact OG-CB 3.31Å; S187-A263 WeakPolarHBondContact OG-CB 3.26Å; S187-A263 PolarHBondContact OG-N 3.06Å; K261-A263 PolarHBondContact O-N 3.37Å; K261-A263 VanDerWaalsContact O-N 3.08Å; A263-C265 VanDerWaalsContact C-N 3.34Å; A263-P310 VanDerWaalsContact O-CB 3.29Å; A263-P310 WeakPolarHBondContact O-CB 3.33Å; A263-G311 PolarHBondContact O-N 3.1Å |
| 264 | E | 94.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 36.1 Ų | 36.1 | 51% | 0.514 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -86.3 | -9.2 | 179.3 | -60.9 | 166.9 | -139.8 | 0 | 0 | 111.9 | K261 G262 N266 | K261-E264 WeakPolarHBondContact O-CB 3.3Å; K261-E264 PolarHBondContact O-N 3.23Å; G262-E264 VanDerWaalsContact C-N 3.26Å; G262-E264 PolarHBondContact O-N 2.86Å; E264-N266 PolarHBondContact O-N 3.24Å |
| 265 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -97.5 | 87.5 | -175.9 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | F253 Y256 G262 A263 G311 S312 | F253-C265 HydrophobicContact CD2-CB 4.06Å; F253-C265 HydrophobicContact CE2-CB 4.28Å; F253-C265 WeakPolarHBondContact CE2-O 3.48Å; Y256-C265 HydrophobicContact CD1-CB 3.7Å; Y256-C265 HydrophobicContact CD2-CB 4.41Å; Y256-C265 HydrophobicContact CE1-CB 4.43Å; Y256-C265 HydrophobicContact CG-CB 3.67Å; G262-C265 PolarHBondContact O-N 3.39Å; A263-C265 VanDerWaalsContact C-N 3.34Å; C265-G311 WeakPolarHBondContact O-CA 3.01Å; C265-S312 PolarHBondContact O-N 3.47Å; C265-S312 VanDerWaalsContact O-N 3.12Å | ||
| 266 | N | 97.5 | Very high | 95 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.3 | 170.5 | -59.5 | -44.9 | 0 | 0 | 0 | 109.9 | E264 G311 S312 S333 S335 H336 | E264-N266 PolarHBondContact O-N 3.24Å; N266-G311 PolarHBondContact OD1-N 2.83Å; N266-S312 PolarHBondContact OD1-OG 3.01Å; N266-S333 PolarHBondContact ND2-O 3.31Å; N266-S333 VanDerWaalsContact ND2-O 3.11Å; N266-S335 PolarHBondContact N-OG 2.92Å; N266-S335 PolarHBondContact O-N 2.74Å; N266-S335 PolarHBondContact O-OG 3.39Å; N266-H336 PolarHBondContact O-N 3.02Å; N266-H336 VanDerWaalsContact O-N 3.17Å |
| 267 | I | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.9 | -177.4 | -50.5 | -173.9 | 0 | 0 | 0 | 109.1 | P249 I252 F253 V269 S312 I313 V314 H336 I338 | P249-I267 HydrophobicContact CB-CG2 4.47Å; P249-I267 WeakPolarHBondContact O-CD1 3.34Å; I252-I267 HydrophobicContact CB-CD1 3.91Å; I252-I267 HydrophobicContact CG2-CD1 3.75Å; F253-I267 HydrophobicContact CB-CD1 3.97Å; I267-V269 HydrophobicContact CG2-CG2 4.21Å; I267-S312 PolarHBondContact N-O 3.44Å; I267-I313 HydrophobicContact CB-CG1 4.34Å; I267-I313 HydrophobicContact CB-CG2 4.46Å; I267-I313 HydrophobicContact CD1-CG1 4.32Å; I267-I313 CarbonylContact O-C 3.52Å; I267-I313 WeakPolarHBondContact O-CA 3.24Å; I267-V314 PolarHBondContact O-N 3.21Å; I267-H336 WeakPolarHBondContact CA-O 3.21Å; I267-H336 HydrophobicContact CB-CB 4.47Å; I267-H336 HydrophobicContact CG1-CB 4.15Å; I267-H336 HydrophobicContact CG2-CB 4.21Å; I267-I338 HydrophobicContact CG2-CD1 3.69Å; I267-I338 HydrophobicContact CG2-CG1 4.09Å |
| 268 | V | 98.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.5 | 167.6 | 171.7 | 0 | 0 | 0 | 0 | 110 | T270 V314 M316 F321 I334 H336 V337 I338 | V268-T270 HydrophobicContact CG1-CG2 4.32Å; V268-V314 WeakPolarHBondContact CA-O 3.48Å; V268-M316 HydrophobicContact CG1-CG 3.61Å; V268-M316 HydrophobicContact CG1-SD 3.67Å; V268-F321 HydrophobicContact CG1-CD2 3.89Å; V268-F321 HydrophobicContact CG1-CE2 4.22Å; V268-I334 HydrophobicContact CB-CD1 4.35Å; V268-I334 HydrophobicContact CB-CG2 4.37Å; V268-I334 HydrophobicContact CG2-CD1 3.64Å; V268-I334 HydrophobicContact CG2-CG1 4.06Å; V268-I334 HydrophobicContact CG2-CG2 4.19Å; V268-H336 PolarHBondContact N-O 2.88Å; V268-V337 CarbonylContact O-C 3.55Å; V268-I338 PolarHBondContact O-N 3.07Å |
| 269 | V | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.5 | 175 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | P249 I267 I313 V314 F315 M316 I338 D340 M371 | P249-V269 HydrophobicContact CB-CG2 4.23Å; P249-V269 HydrophobicContact CG-CG2 3.72Å; I267-V269 HydrophobicContact CG2-CG2 4.21Å; V269-I313 HydrophobicContact CG2-CG2 4.15Å; V269-V314 PolarHBondContact N-O 2.86Å; V269-F315 HydrophobicContact CB-CD1 3.65Å; V269-F315 HydrophobicContact CB-CE1 3.76Å; V269-F315 HydrophobicContact CB-CG 4.3Å; V269-F315 HydrophobicContact CB-CZ 4.48Å; V269-F315 HydrophobicContact CG1-CD1 3.8Å; V269-F315 HydrophobicContact CG1-CE1 3.66Å; V269-F315 HydrophobicContact CG2-CD1 4.37Å; V269-F315 HydrophobicContact CG2-CE1 4.09Å; V269-F315 HydrophobicContact CG2-CZ 4.37Å; V269-F315 CarbonylContact O-C 3.59Å; V269-F315 VanDerWaalsContact O-CA 3.28Å; V269-F315 WeakPolarHBondContact O-CA 3.25Å; V269-M316 PolarHBondContact O-N 3.32Å; V269-I338 CarbonylContact C-O 3.55Å; V269-I338 WeakPolarHBondContact CA-O 3.06Å; V269-I338 HydrophobicContact CB-CB 4.44Å; V269-I338 HydrophobicContact CG1-CB 4.23Å; V269-I338 HydrophobicContact CG1-CG2 4.18Å; V269-I338 HydrophobicContact CG2-CB 4.19Å; V269-I338 HydrophobicContact CG2-CD1 4.14Å; V269-D340 HydrophobicContact CG1-CB 4.48Å; V269-M371 HydrophobicContact CG1-CE 4.48Å |
| 270 | T | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.1 | 177.2 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | V268 M316 F321 I338 I339 D340 L352 | V268-T270 HydrophobicContact CG1-CG2 4.32Å; T270-M316 CarbonylContact C-O 3.51Å; T270-M316 WeakPolarHBondContact CA-O 3.32Å; T270-F321 HydrophobicContact CG2-CB 4.37Å; T270-F321 HydrophobicContact CG2-CD2 4.48Å; T270-F321 HydrophobicContact CG2-CG 4.5Å; T270-I338 PolarHBondContact N-O 3.25Å; T270-I339 WeakPolarHBondContact OG1-CA 3.5Å; T270-D340 WeakPolarHBondContact O-CB 3.38Å; T270-D340 PolarHBondContact O-N 3.07Å; T270-D340 VanDerWaalsContact O-N 3.14Å; T270-L352 HydrophobicContact CG2-CD2 3.85Å |
| 271 | Q | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -122.5 | 130.6 | 175 | -73.2 | -68.6 | -31 | 0 | 0 | 109.7 | R273 A277 F315 M316 T317 P318 D340 | Q271-R273 PolarHBondContact O-N 3.21Å; Q271-R273 VanDerWaalsContact O-N 3.1Å; Q271-A277 HydrophobicContact CB-CB 3.99Å; Q271-A277 HydrophobicContact CG-CB 4.38Å; Q271-F315 HydrophobicContact CG-CD1 4.23Å; Q271-M316 PolarHBondContact N-O 2.91Å; Q271-T317 WeakPolarHBondContact O-CA 3.29Å; Q271-P318 VanDerWaalsContact O-CD 3.25Å; Q271-P318 WeakPolarHBondContact O-CD 3.35Å; Q271-D340 VanDerWaalsContact NE2-CB 3.31Å; Q271-D340 PolarHBondContact NE2-OD2 2.94Å | ||
| 272 | P | 90.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 19.5 Ų | 19.5 | 15% | 0.149 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -57.6 | -30.5 | -178.9 | -25.9 | 34.2 | 0 | 0 | 0 | 113.3 | E341 D346 | P272-E341 HydrophobicContact CG-CB 3.92Å; P272-D346 HydrophobicContact CB-CB 4.49Å |
| 273 | R | 88.6 | Confident | 93.9 | Very high | 49 Ų | 49 | 22.9 Ų | 22.9 | 19% | 0.185 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -112.8 | 137.1 | -173 | -58.3 | 171.8 | -168.8 | -77.1 | -5.6 | 111.5 | Q271 I275 S276 A277 E344 | Q271-R273 PolarHBondContact O-N 3.21Å; Q271-R273 VanDerWaalsContact O-N 3.1Å; R273-I275 HydrophobicContact CB-CG2 4.26Å; R273-I275 PolarHBondContact O-N 2.87Å; R273-S276 PolarHBondContact O-N 3.39Å; R273-A277 PolarHBondContact O-N 2.87Å; R273-E344 IonicContact CZ-OE2 3.06Å; R273-E344 IonicContact NE-OE1 2.74Å; R273-E344 IonicContact NE-OE2 3.18Å; R273-E344 PolarHBondContact NE-OE2 3.45Å; R273-E344 IonicContact NH2-OE2 2.8Å; R273-E344 PolarHBondContact NH2-OE2 3.05Å |
| 274 | R | 90.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 22.7 Ų | 22.7 | 29% | 0.291 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 178 | -65.9 | 172 | 64.2 | -155.4 | 1.7 | 112.3 | S276 A277 V278 V300 R301 T317 | R274-S276 VanDerWaalsContact C-N 3.28Å; R274-S276 PolarHBondContact O-N 3.44Å; R274-A277 PolarHBondContact O-N 2.89Å; R274-V278 WeakPolarHBondContact O-CG2 3.14Å; R274-V278 PolarHBondContact O-N 3.2Å; R274-V278 VanDerWaalsContact O-N 3.12Å; R274-V300 HydrophobicContact CB-CB 4.34Å; R274-V300 HydrophobicContact CB-CG1 4.39Å; R274-V300 HydrophobicContact CB-CG2 4.48Å; R274-V300 HydrophobicContact CG-CB 4.15Å; R274-V300 HydrophobicContact CG-CG1 4.5Å; R274-R301 PolarHBondContact NH2-O 3.36Å; R274-T317 HydrophobicContact CG-CG2 3.88Å |
| 275 | I | 88.3 | Confident | 94 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 178.7 | 178.9 | 159.6 | 0 | 0 | 0 | 112.1 | R273 V278 S279 L483 Q486 I489 F490 I511 | R273-I275 HydrophobicContact CB-CG2 4.26Å; R273-I275 PolarHBondContact O-N 2.87Å; I275-V278 PolarHBondContact O-N 2.96Å; I275-S279 WeakPolarHBondContact O-CB 3.46Å; I275-S279 PolarHBondContact O-N 3.14Å; I275-S279 PolarHBondContact O-OG 3.21Å; I275-S279 VanDerWaalsContact O-OG 3.14Å; I275-L483 HydrophobicContact CB-CD1 3.88Å; I275-L483 HydrophobicContact CG1-CD1 4.28Å; I275-Q486 HydrophobicContact CD1-CB 3.34Å; I275-Q486 HydrophobicContact CD1-CG 4.45Å; I275-I489 HydrophobicContact CD1-CD1 4.24Å; I275-F490 HydrophobicContact CD1-CE2 3.49Å; I275-F490 VanDerWaalsContact CD1-CE2 3.49Å; I275-F490 HydrophobicContact CD1-CZ 3.77Å; I275-F490 HydrophobicContact CG1-CE2 3.64Å; I275-F490 HydrophobicContact CG1-CZ 3.79Å; I275-I511 HydrophobicContact CD1-CD1 4.44Å; I275-I511 HydrophobicContact CG2-CD1 3.47Å; I275-I511 VanDerWaalsContact CG2-CD1 3.47Å; I275-I511 HydrophobicContact CG2-CG1 4.02Å |
| 276 | S | 90.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | R273 R274 V278 S279 M280 S510 | R273-S276 PolarHBondContact O-N 3.39Å; R274-S276 VanDerWaalsContact C-N 3.28Å; R274-S276 PolarHBondContact O-N 3.44Å; S276-V278 VanDerWaalsContact C-N 3.3Å; S276-V278 PolarHBondContact O-N 3.11Å; S276-S279 PolarHBondContact O-N 3.46Å; S276-S279 PolarHBondContact O-OG 3.28Å; S276-M280 VanDerWaalsContact O-CB 3.25Å; S276-M280 WeakPolarHBondContact O-CB 3.41Å; S276-M280 WeakPolarHBondContact O-CG 3.38Å; S276-M280 PolarHBondContact O-N 3.12Å; S276-S510 WeakPolarHBondContact CB-OG 3.44Å; S276-S510 WeakPolarHBondContact OG-CB 3.46Å; S276-S510 PolarHBondContact OG-OG 3.48Å |
| 277 | A | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.5 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q271 R273 R274 A281 V300 F315 | Q271-A277 HydrophobicContact CB-CB 3.99Å; Q271-A277 HydrophobicContact CG-CB 4.38Å; R273-A277 PolarHBondContact O-N 2.87Å; R274-A277 PolarHBondContact O-N 2.89Å; A277-A281 WeakPolarHBondContact O-CB 3.32Å; A277-A281 PolarHBondContact O-N 2.91Å; A277-A281 VanDerWaalsContact O-N 3.09Å; A277-V300 HydrophobicContact CB-CG1 3.68Å; A277-F315 HydrophobicContact CB-CB 4.19Å; A277-F315 WeakPolarHBondContact O-CB 3.44Å |
| 278 | V | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.6 | -45.8 | -178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | R274 I275 S276 A281 N282 Y298 V300 L483 | R274-V278 WeakPolarHBondContact O-CG2 3.14Å; R274-V278 PolarHBondContact O-N 3.2Å; R274-V278 VanDerWaalsContact O-N 3.12Å; I275-V278 PolarHBondContact O-N 2.96Å; S276-V278 VanDerWaalsContact C-N 3.3Å; S276-V278 PolarHBondContact O-N 3.11Å; V278-A281 PolarHBondContact O-N 3.36Å; V278-N282 PolarHBondContact O-N 2.91Å; V278-N282 VanDerWaalsContact O-N 3.09Å; V278-N282 PolarHBondContact O-ND2 2.82Å; V278-Y298 HydrophobicContact CG1-CD1 4.36Å; V278-Y298 HydrophobicContact CG1-CE1 4.04Å; V278-Y298 HydrophobicContact CG2-CD1 4.34Å; V278-Y298 HydrophobicContact CG2-CD2 3.62Å; V278-Y298 HydrophobicContact CG2-CE1 4.35Å; V278-Y298 HydrophobicContact CG2-CE2 3.63Å; V278-Y298 HydrophobicContact CG2-CG 3.99Å; V278-V300 HydrophobicContact CG2-CG1 4.37Å; V278-V300 HydrophobicContact CG2-CG2 4.05Å; V278-L483 HydrophobicContact CG2-CD2 4.03Å |
| 279 | S | 90.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 25 Ų | 25 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | -179.5 | 66 | 0 | 0 | 0 | 0 | 111.8 | I275 S276 N282 R283 | I275-S279 WeakPolarHBondContact O-CB 3.46Å; I275-S279 PolarHBondContact O-N 3.14Å; I275-S279 PolarHBondContact O-OG 3.21Å; I275-S279 VanDerWaalsContact O-OG 3.14Å; S276-S279 PolarHBondContact O-N 3.46Å; S276-S279 PolarHBondContact O-OG 3.28Å; S279-N282 PolarHBondContact O-N 2.81Å; S279-R283 WeakPolarHBondContact O-CB 3.26Å; S279-R283 PolarHBondContact O-N 3Å |
| 280 | M | 93.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 5% | 0.054 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.3 | -66.5 | -60.1 | 104.8 | 0 | 0 | 112 | T245 T246 S276 R283 L284 F315 | T245-M280 HydrophobicContact CG2-CB 4.17Å; T245-M280 HydrophobicContact CG2-CG 3.61Å; T245-M280 HydrophobicContact CG2-SD 3.6Å; T246-M280 HydrophobicContact CG2-SD 4.21Å; S276-M280 VanDerWaalsContact O-CB 3.25Å; S276-M280 WeakPolarHBondContact O-CB 3.41Å; S276-M280 WeakPolarHBondContact O-CG 3.38Å; S276-M280 PolarHBondContact O-N 3.12Å; M280-R283 PolarHBondContact O-N 2.77Å; M280-L284 VanDerWaalsContact O-CB 3.26Å; M280-L284 WeakPolarHBondContact O-CB 3.42Å; M280-L284 PolarHBondContact O-N 2.85Å; M280-F315 HydrophobicContact CB-CD1 3.73Å; M280-F315 HydrophobicContact CB-CE1 3.52Å; M280-F315 HydrophobicContact CB-CE2 4.45Å; M280-F315 HydrophobicContact CB-CG 4.3Å; M280-F315 HydrophobicContact CB-CZ 3.91Å; M280-F315 HydrophobicContact CG-CE1 4.42Å |
| 281 | A | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A277 V278 R283 L284 A285 L292 V296 G297 Y298 F315 | A277-A281 WeakPolarHBondContact O-CB 3.32Å; A277-A281 PolarHBondContact O-N 2.91Å; A277-A281 VanDerWaalsContact O-N 3.09Å; V278-A281 PolarHBondContact O-N 3.36Å; A281-R283 PolarHBondContact O-N 2.85Å; A281-L284 PolarHBondContact O-N 2.95Å; A281-A285 WeakPolarHBondContact O-CB 3.34Å; A281-A285 PolarHBondContact O-N 2.87Å; A281-L292 HydrophobicContact CB-CD1 3.82Å; A281-V296 HydrophobicContact CB-CG1 4.27Å; A281-V296 VanDerWaalsContact O-CG1 3.28Å; A281-V296 WeakPolarHBondContact O-CG1 3.48Å; A281-G297 WeakPolarHBondContact CB-O 3.45Å; A281-Y298 HydrophobicContact CB-CD1 4.19Å; A281-Y298 HydrophobicContact CB-CG 4.49Å; A281-F315 VanDerWaalsContact CA-CD2 3.5Å; A281-F315 HydrophobicContact CB-CB 4.22Å; A281-F315 HydrophobicContact CB-CD2 3.62Å; A281-F315 HydrophobicContact CB-CE2 4.35Å; A281-F315 HydrophobicContact CB-CG 4.2Å |
| 282 | N | 94.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.3 | -78.7 | -79 | 0 | 0 | 0 | 111.6 | V278 S279 L284 A285 F286 | V278-N282 PolarHBondContact O-N 2.91Å; V278-N282 VanDerWaalsContact O-N 3.09Å; V278-N282 PolarHBondContact O-ND2 2.82Å; S279-N282 PolarHBondContact O-N 2.81Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 2.87Å; N282-A285 PolarHBondContact O-N 3.31Å; N282-F286 WeakPolarHBondContact O-CB 3.48Å; N282-F286 PolarHBondContact O-N 2.81Å |
| 283 | R | 91.4 | Very high | 93.1 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.7 | 177.5 | 57.7 | 178.3 | -131.6 | 3.6 | 111.4 | T246 S279 M280 A281 F286 E287 E514 | T246-R283 HydrophobicContact CG2-CG 3.97Å; S279-R283 WeakPolarHBondContact O-CB 3.26Å; S279-R283 PolarHBondContact O-N 3Å; M280-R283 PolarHBondContact O-N 2.77Å; A281-R283 PolarHBondContact O-N 2.85Å; R283-F286 PolarHBondContact O-N 2.76Å; R283-E287 IonicContact CZ-OE1 2.72Å; R283-E287 IonicContact NE-OE1 3.13Å; R283-E287 PolarHBondContact NE-OE1 3.25Å; R283-E287 IonicContact NH2-OE1 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.2Å; R283-E287 PolarHBondContact O-N 3.07Å; R283-E514 IonicContact NH1-OE1 2.98Å |
| 284 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -41.4 | -178.3 | -167.7 | 67.4 | 0 | 0 | 0 | 112.4 | T246 Q250 M280 A281 N282 F286 E287 R288 V296 I313 F315 | T246-L284 WeakPolarHBondContact O-CD1 3.35Å; Q250-L284 HydrophobicContact CG-CD1 3.55Å; Q250-L284 HydrophobicContact CG-CG 4.4Å; M280-L284 VanDerWaalsContact O-CB 3.26Å; M280-L284 WeakPolarHBondContact O-CB 3.42Å; M280-L284 PolarHBondContact O-N 2.85Å; A281-L284 PolarHBondContact O-N 2.95Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 2.87Å; L284-F286 VanDerWaalsContact C-N 3.33Å; L284-F286 PolarHBondContact O-N 2.93Å; L284-E287 PolarHBondContact O-N 3.19Å; L284-R288 WeakPolarHBondContact O-CG 3.49Å; L284-R288 PolarHBondContact O-N 3.03Å; L284-R288 VanDerWaalsContact O-N 3.08Å; L284-V296 HydrophobicContact CB-CG1 3.93Å; L284-V296 HydrophobicContact CB-CG2 4.35Å; L284-V296 HydrophobicContact CD2-CG1 4.11Å; L284-V296 HydrophobicContact CD2-CG2 3.84Å; L284-V296 HydrophobicContact CG-CG1 4.27Å; L284-V296 HydrophobicContact CG-CG2 3.9Å; L284-I313 HydrophobicContact CD2-CB 4.18Å; L284-I313 HydrophobicContact CD2-CD1 3.88Å; L284-I313 HydrophobicContact CD2-CG2 3.68Å; L284-F315 HydrophobicContact CB-CE2 3.98Å; L284-F315 HydrophobicContact CB-CZ 4.36Å; L284-F315 HydrophobicContact CD2-CE2 3.54Å; L284-F315 HydrophobicContact CD2-CZ 3.87Å; L284-F315 HydrophobicContact CG-CE2 4.37Å |
| 285 | A | 95.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A281 N282 E287 R288 A289 E290 L292 V296 | A281-A285 WeakPolarHBondContact O-CB 3.34Å; A281-A285 PolarHBondContact O-N 2.87Å; N282-A285 PolarHBondContact O-N 3.31Å; A285-E287 PolarHBondContact O-N 3.14Å; A285-R288 CarbonylContact O-C 3.5Å; A285-R288 PolarHBondContact O-N 3.28Å; A285-R288 VanDerWaalsContact O-N 3.15Å; A285-A289 PolarHBondContact O-N 2.87Å; A285-A289 VanDerWaalsContact O-N 3.12Å; A285-E290 CarbonylContact C-O 2.86Å; A285-E290 HydrophobicContact CB-CG 4.33Å; A285-E290 PolarHBondContact O-N 2.93Å; A285-E290 VanDerWaalsContact O-N 3.15Å; A285-L292 HydrophobicContact CB-CB 4.38Å; A285-L292 HydrophobicContact CB-CD1 4.19Å; A285-V296 HydrophobicContact CB-CB 4.16Å; A285-V296 HydrophobicContact CB-CG1 4.28Å |
| 286 | F | 93.2 | Very high | 94.2 | Very high | 118 Ų | 118 | 34 Ų | 34 | 52% | 0.518 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 173.7 | 174.2 | -96.8 | 0 | 0 | 0 | 112.5 | V208 N282 R283 L284 R288 A289 | V208-F286 HydrophobicContact CG2-CE1 3.82Å; V208-F286 HydrophobicContact CG2-CZ 4.13Å; N282-F286 WeakPolarHBondContact O-CB 3.48Å; N282-F286 PolarHBondContact O-N 2.81Å; R283-F286 PolarHBondContact O-N 2.76Å; L284-F286 VanDerWaalsContact C-N 3.33Å; L284-F286 PolarHBondContact O-N 2.93Å; F286-R288 PolarHBondContact O-N 3.09Å; F286-A289 PolarHBondContact O-N 3.27Å |
| 287 | E | 92.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -23.3 | 178.3 | -76.9 | -178.4 | -164.6 | 0 | 0 | 113.9 | V208 Q247 Q250 R283 L284 A285 | V208-E287 HydrophobicContact CG1-CB 4.29Å; V208-E287 HydrophobicContact CG1-CG 4.31Å; Q247-E287 PolarHBondContact NE2-OE2 2.98Å; Q250-E287 PolarHBondContact NE2-OE2 3.36Å; R283-E287 IonicContact CZ-OE1 2.72Å; R283-E287 IonicContact NE-OE1 3.13Å; R283-E287 PolarHBondContact NE-OE1 3.25Å; R283-E287 IonicContact NH2-OE1 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.2Å; R283-E287 PolarHBondContact O-N 3.07Å; L284-E287 PolarHBondContact O-N 3.19Å; A285-E287 PolarHBondContact O-N 3.14Å |
| 288 | R | 93.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 35 Ų | 35 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.1 | 175.5 | -68.1 | -176.2 | 67.2 | 73.6 | 4.5 | 113.4 | I197 D254 L284 A285 F286 E290 T295 | I197-R288 WeakPolarHBondContact CD1-O 3.4Å; D254-R288 IonicContact OD1-CZ 2.65Å; D254-R288 IonicContact OD1-NH1 3.34Å; D254-R288 PolarHBondContact OD1-NH1 2.57Å; L284-R288 WeakPolarHBondContact O-CG 3.49Å; L284-R288 PolarHBondContact O-N 3.03Å; L284-R288 VanDerWaalsContact O-N 3.08Å; A285-R288 CarbonylContact O-C 3.5Å; A285-R288 PolarHBondContact O-N 3.28Å; A285-R288 VanDerWaalsContact O-N 3.15Å; F286-R288 PolarHBondContact O-N 3.09Å; R288-E290 HydrophobicContact CB-CG 3.86Å; R288-E290 IonicContact CZ-OE2 3.15Å; R288-E290 IonicContact NE-OE2 2.64Å; R288-E290 PolarHBondContact NE-OE2 3.03Å; R288-E290 VanDerWaalsContact NE-OE2 3.08Å; R288-E290 IonicContact NH2-OE2 2.76Å; R288-E290 PolarHBondContact O-N 3.44Å; R288-T295 PolarHBondContact NE-OG1 3.41Å |
| 289 | A | 93.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 36.5 Ų | 36.5 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I205 A285 F286 | I205-A289 HydrophobicContact CD1-CB 3.93Å; I205-A289 HydrophobicContact CG1-CB 4.06Å; A285-A289 PolarHBondContact O-N 2.87Å; A285-A289 VanDerWaalsContact O-N 3.12Å; F286-A289 PolarHBondContact O-N 3.27Å |
| 290 | E | 94.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -129.9 | 163.2 | 178.5 | 68 | -177.3 | -126.5 | 0 | 0 | 110.9 | A285 R288 E294 T295 V296 | A285-E290 CarbonylContact C-O 2.86Å; A285-E290 HydrophobicContact CB-CG 4.33Å; A285-E290 PolarHBondContact O-N 2.93Å; A285-E290 VanDerWaalsContact O-N 3.15Å; R288-E290 HydrophobicContact CB-CG 3.86Å; R288-E290 IonicContact CZ-OE2 3.15Å; R288-E290 IonicContact NE-OE2 2.64Å; R288-E290 PolarHBondContact NE-OE2 3.03Å; R288-E290 VanDerWaalsContact NE-OE2 3.08Å; R288-E290 IonicContact NH2-OE2 2.76Å; R288-E290 PolarHBondContact O-N 3.44Å; E290-E294 HydrophobicContact CB-CB 4.29Å; E290-E294 HydrophobicContact CG-CB 4.46Å; E290-T295 WeakPolarHBondContact OE1-CA 3.33Å; E290-T295 WeakPolarHBondContact OE1-CB 3.28Å; E290-T295 PolarHBondContact OE1-N 2.96Å; E290-T295 PolarHBondContact OE1-OG1 3.49Å; E290-T295 PolarHBondContact OE2-OG1 3.42Å; E290-V296 PolarHBondContact OE1-N 2.86Å |
| 291 | E | 95 | Very high | 94.9 | Very high | 150 Ų | 150 | 38.5 Ų | 38.5 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | trans | -77.9 | 147.6 | 170 | -65.6 | -171.6 | 170.8 | 0 | 0 | 111.2 | G293 E294 | E291-G293 PolarHBondContact O-N 3.26Å; E291-E294 HydrophobicContact CB-CG 4.36Å; E291-E294 PolarHBondContact N-OE1 3.47Å; E291-E294 WeakPolarHBondContact O-CB 3.35Å; E291-E294 PolarHBondContact O-N 2.94Å; E291-E294 VanDerWaalsContact O-N 3.16Å | ||
| 292 | L | 95.8 | Very high | 94.5 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 127.3 | 172 | -170 | 72.9 | 0 | 0 | 0 | 109.5 | A281 A285 V296 Y298 C305 | A281-L292 HydrophobicContact CB-CD1 3.82Å; A285-L292 HydrophobicContact CB-CB 4.38Å; A285-L292 HydrophobicContact CB-CD1 4.19Å; L292-V296 HydrophobicContact CD1-CG1 4.2Å; L292-Y298 HydrophobicContact CD2-CD1 3.81Å; L292-Y298 HydrophobicContact CD2-CE1 3.64Å; L292-C305 HydrophobicContact CD2-CB 3.94Å; L292-C305 HydrophobicContact CG-CB 4.2Å; L292-C305 PolarHBondContact O-SG 3.49Å |
| 293 | G | 95.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -3.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E291 V296 P307 | E291-G293 PolarHBondContact O-N 3.26Å; G293-V296 PolarHBondContact N-O 3.3Å; G293-P307 WeakPolarHBondContact O-CA 3.48Å |
| 294 | E | 95.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -81.1 | -67.5 | 174.7 | -72.7 | -168.8 | -129.7 | 0 | 0 | 113.1 | E290 E291 | E290-E294 HydrophobicContact CB-CB 4.29Å; E290-E294 HydrophobicContact CG-CB 4.46Å; E291-E294 HydrophobicContact CB-CG 4.36Å; E291-E294 PolarHBondContact N-OE1 3.47Å; E291-E294 WeakPolarHBondContact O-CB 3.35Å; E291-E294 PolarHBondContact O-N 2.94Å; E291-E294 VanDerWaalsContact O-N 3.16Å |
| 295 | T | 97.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -121.7 | -27.6 | 169.6 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | L190 F253 R288 E290 P307 S312 I313 | L190-T295 HydrophobicContact CD2-CG2 3.61Å; F253-T295 HydrophobicContact CZ-CG2 4.49Å; R288-T295 PolarHBondContact NE-OG1 3.41Å; E290-T295 WeakPolarHBondContact OE1-CA 3.33Å; E290-T295 WeakPolarHBondContact OE1-CB 3.28Å; E290-T295 PolarHBondContact OE1-N 2.96Å; E290-T295 PolarHBondContact OE1-OG1 3.49Å; E290-T295 PolarHBondContact OE2-OG1 3.42Å; T295-P307 WeakPolarHBondContact O-CG 3.47Å; T295-S312 CarbonylContact O-C 3.58Å; T295-S312 VanDerWaalsContact O-CA 3.23Å; T295-S312 WeakPolarHBondContact O-CA 3.26Å; T295-I313 PolarHBondContact O-N 2.96Å |
| 296 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.8 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 111 | A281 L284 A285 E290 L292 G293 I313 F315 | A281-V296 HydrophobicContact CB-CG1 4.27Å; A281-V296 VanDerWaalsContact O-CG1 3.28Å; A281-V296 WeakPolarHBondContact O-CG1 3.48Å; L284-V296 HydrophobicContact CB-CG1 3.93Å; L284-V296 HydrophobicContact CB-CG2 4.35Å; L284-V296 HydrophobicContact CD2-CG1 4.11Å; L284-V296 HydrophobicContact CD2-CG2 3.84Å; L284-V296 HydrophobicContact CG-CG1 4.27Å; L284-V296 HydrophobicContact CG-CG2 3.9Å; A285-V296 HydrophobicContact CB-CB 4.16Å; A285-V296 HydrophobicContact CB-CG1 4.28Å; E290-V296 PolarHBondContact OE1-N 2.86Å; L292-V296 HydrophobicContact CD1-CG1 4.2Å; G293-V296 PolarHBondContact N-O 3.3Å; V296-I313 CarbonylContact C-O 3.56Å; V296-I313 WeakPolarHBondContact CA-O 3.31Å; V296-I313 HydrophobicContact CG2-CB 4.47Å; V296-F315 HydrophobicContact CG1-CE2 4.39Å |
| 297 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -175.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | A281 C305 I313 V314 F315 | A281-G297 WeakPolarHBondContact CB-O 3.45Å; G297-C305 CarbonylContact C-O 3.49Å; G297-C305 WeakPolarHBondContact CA-O 3.47Å; G297-I313 PolarHBondContact N-O 3.49Å; G297-V314 WeakPolarHBondContact O-CA 3.47Å; G297-F315 PolarHBondContact O-N 3.45Å |
| 298 | Y | 97.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.7 | 171.5 | 72.9 | -93.9 | 0 | 0 | 0 | 112.9 | V278 A281 L292 V300 S303 R304 C305 F315 | V278-Y298 HydrophobicContact CG1-CD1 4.36Å; V278-Y298 HydrophobicContact CG1-CE1 4.04Å; V278-Y298 HydrophobicContact CG2-CD1 4.34Å; V278-Y298 HydrophobicContact CG2-CD2 3.62Å; V278-Y298 HydrophobicContact CG2-CE1 4.35Å; V278-Y298 HydrophobicContact CG2-CE2 3.63Å; V278-Y298 HydrophobicContact CG2-CG 3.99Å; A281-Y298 HydrophobicContact CB-CD1 4.19Å; A281-Y298 HydrophobicContact CB-CG 4.49Å; L292-Y298 HydrophobicContact CD2-CD1 3.81Å; L292-Y298 HydrophobicContact CD2-CE1 3.64Å; Y298-V300 HydrophobicContact CD2-CG1 4.41Å; Y298-V300 HydrophobicContact CD2-CG2 4.11Å; Y298-V300 HydrophobicContact CE2-CG2 4.09Å; Y298-S303 VanDerWaalsContact CE2-O 3.26Å; Y298-S303 WeakPolarHBondContact CE2-O 3.47Å; Y298-S303 WeakPolarHBondContact CE2-OG 3.36Å; Y298-S303 PolarHBondContact OH-OG 3.4Å; Y298-R304 WeakPolarHBondContact O-CA 3.4Å; Y298-C305 HydrophobicContact CD1-CB 4.08Å; Y298-C305 HydrophobicContact CE1-CB 3.73Å; Y298-C305 PolarHBondContact N-O 3.23Å; Y298-C305 CarbonylContact O-C 3.52Å; Y298-C305 PolarHBondContact O-N 3.05Å; Y298-F315 CarbonylContact C-O 3.48Å; Y298-F315 WeakPolarHBondContact CA-O 3.49Å; Y298-F315 WeakPolarHBondContact CB-O 3.26Å |
| 299 | N | 96.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 109.4 | 170.9 | -174 | 8.2 | 0 | 0 | 0 | 110.3 | L306 V314 F315 M316 T320 | N299-L306 HydrophobicContact CB-CD2 3.89Å; N299-V314 HydrophobicContact CB-CG1 4.41Å; N299-F315 PolarHBondContact N-O 3.37Å; N299-M316 HydrophobicContact CB-CB 4.32Å; N299-M316 HydrophobicContact CB-CE 3.81Å; N299-M316 WeakPolarHBondContact O-CA 3.29Å; N299-M316 WeakPolarHBondContact O-CB 3.44Å; N299-T320 HydrophobicContact CB-CG2 4.38Å |
| 300 | V | 93.8 | Very high | 94 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 164.6 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | R274 A277 V278 Y298 L302 S303 T317 | R274-V300 HydrophobicContact CB-CB 4.34Å; R274-V300 HydrophobicContact CB-CG1 4.39Å; R274-V300 HydrophobicContact CB-CG2 4.48Å; R274-V300 HydrophobicContact CG-CB 4.15Å; R274-V300 HydrophobicContact CG-CG1 4.5Å; A277-V300 HydrophobicContact CB-CG1 3.68Å; V278-V300 HydrophobicContact CG2-CG1 4.37Å; V278-V300 HydrophobicContact CG2-CG2 4.05Å; Y298-V300 HydrophobicContact CD2-CG1 4.41Å; Y298-V300 HydrophobicContact CD2-CG2 4.11Å; Y298-V300 HydrophobicContact CE2-CG2 4.09Å; V300-L302 PolarHBondContact O-N 2.84Å; V300-L302 VanDerWaalsContact O-N 3.16Å; V300-S303 CarbonylContact C-O 3.51Å; V300-S303 WeakPolarHBondContact CG2-O 3.43Å; V300-S303 PolarHBondContact N-O 3.32Å; V300-S303 CarbonylContact O-C 3.58Å; V300-S303 PolarHBondContact O-N 3.05Å; V300-T317 HydrophobicContact CG1-CG2 4.11Å |
| 301 | R | 89.2 | Confident | 94.1 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 126 | 178.6 | -170.8 | 169.2 | -172.3 | 162.2 | 4.2 | 111.5 | R274 S303 G651 E680 | R274-R301 PolarHBondContact NH2-O 3.36Å; R301-S303 PolarHBondContact O-N 2.96Å; R301-S303 VanDerWaalsContact O-N 3.16Å; R301-G651 VanDerWaalsContact CZ-O 3.28Å; R301-G651 PolarHBondContact NH1-O 2.95Å; R301-G651 PolarHBondContact NH2-O 3.27Å; R301-E680 IonicContact NH1-OE1 3.83Å |
| 302 | L | 88.3 | Confident | 94.2 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 37% | 0.372 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 14.4 | -178.4 | -58.8 | 178.4 | 0 | 0 | 0 | 116.3 | V300 F750 G753 L754 Q757 | V300-L302 PolarHBondContact O-N 2.84Å; V300-L302 VanDerWaalsContact O-N 3.16Å; L302-F750 HydrophobicContact CD1-CD2 3.84Å; L302-F750 HydrophobicContact CD1-CE2 3.63Å; L302-F750 HydrophobicContact CD1-CZ 4.22Å; L302-G753 WeakPolarHBondContact CD2-O 3.48Å; L302-L754 HydrophobicContact CD1-CB 4.46Å; L302-L754 HydrophobicContact CD1-CD2 3.67Å; L302-L754 HydrophobicContact CD1-CG 3.7Å; L302-L754 HydrophobicContact CG-CD2 4.32Å; L302-Q757 HydrophobicContact CD2-CB 3.9Å; L302-Q757 HydrophobicContact CD2-CG 4.44Å |
| 303 | S | 90 | Very high | 94.3 | Very high | 36 Ų | 36 | 41 Ų | 41 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 123.5 | 174.6 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | Y298 V300 R301 | Y298-S303 VanDerWaalsContact CE2-O 3.26Å; Y298-S303 WeakPolarHBondContact CE2-O 3.47Å; Y298-S303 WeakPolarHBondContact CE2-OG 3.36Å; Y298-S303 PolarHBondContact OH-OG 3.4Å; V300-S303 CarbonylContact C-O 3.51Å; V300-S303 WeakPolarHBondContact CG2-O 3.43Å; V300-S303 PolarHBondContact N-O 3.32Å; V300-S303 CarbonylContact O-C 3.58Å; V300-S303 PolarHBondContact O-N 3.05Å; R301-S303 PolarHBondContact O-N 2.96Å; R301-S303 VanDerWaalsContact O-N 3.16Å |
| 304 | R | 93.7 | Very high | 94.4 | Very high | 188 Ų | 188 | 40.9 Ų | 40.9 | 71% | 0.709 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 146.3 | 178 | 66.8 | -179 | -177.4 | -176.6 | 0.4 | 110.7 | Y298 L306 | Y298-R304 WeakPolarHBondContact O-CA 3.4Å; R304-L306 HydrophobicContact CB-CG 4.44Å |
| 305 | C | 96.4 | Very high | 94.6 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 25% | 0.25 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 93.2 | 164.9 | -176.9 | 0 | 0 | 0 | 0 | 105.3 | L292 G297 Y298 | L292-C305 HydrophobicContact CD2-CB 3.94Å; L292-C305 HydrophobicContact CG-CB 4.2Å; L292-C305 PolarHBondContact O-SG 3.49Å; G297-C305 CarbonylContact C-O 3.49Å; G297-C305 WeakPolarHBondContact CA-O 3.47Å; Y298-C305 HydrophobicContact CD1-CB 4.08Å; Y298-C305 HydrophobicContact CE1-CB 3.73Å; Y298-C305 PolarHBondContact N-O 3.23Å; Y298-C305 CarbonylContact O-C 3.52Å; Y298-C305 PolarHBondContact O-N 3.05Å |
| 306 | L | 95.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | trans | -100.1 | 145.5 | -172.2 | -72.6 | 175.9 | 0 | 0 | 0 | 110.5 | N299 R304 V314 | N299-L306 HydrophobicContact CB-CD2 3.89Å; R304-L306 HydrophobicContact CB-CG 4.44Å; L306-V314 HydrophobicContact CD2-CG1 3.64Å; L306-V314 HydrophobicContact CD2-CG2 4.16Å | ||
| 307 | P | 94.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | trans | -60.8 | 141.3 | 166.7 | -23.4 | 38.5 | 0 | 0 | 0 | 111.1 | G293 T295 V314 | G293-P307 WeakPolarHBondContact O-CA 3.48Å; T295-P307 WeakPolarHBondContact O-CG 3.47Å; P307-V314 HydrophobicContact CG-CG2 4.27Å | ||
| 308 | T | 87.2 | Confident | 94.4 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 60% | 0.601 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -92.9 | -5.2 | -177.8 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 309 | L | 90.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -135.5 | 149.7 | -177.5 | -66.3 | 175.2 | 0 | 0 | 0 | 110.3 | ||
| 310 | P | 91.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -56.5 | 160.1 | 174.2 | -27.8 | 35.5 | 0 | 0 | 0 | 114.3 | L178 R186 A263 | L178-P310 HydrophobicContact CD1-CB 4.21Å; L178-P310 HydrophobicContact CD1-CG 3.7Å; L178-P310 HydrophobicContact CG-CG 3.96Å; R186-P310 PolarHBondContact NE-O 2.94Å; R186-P310 PolarHBondContact NH2-O 3.31Å; A263-P310 VanDerWaalsContact O-CB 3.29Å; A263-P310 WeakPolarHBondContact O-CB 3.33Å |
| 311 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 79.2 | 78.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F253 G262 A263 C265 N266 | F253-G311 WeakPolarHBondContact CZ-O 3.45Å; G262-G311 WeakPolarHBondContact O-CA 3.41Å; A263-G311 PolarHBondContact O-N 3.1Å; C265-G311 WeakPolarHBondContact O-CA 3.01Å; N266-G311 PolarHBondContact OD1-N 2.83Å |
| 312 | S | 97.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 156.2 | -166.3 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | C265 N266 I267 T295 | C265-S312 PolarHBondContact O-N 3.47Å; C265-S312 VanDerWaalsContact O-N 3.12Å; N266-S312 PolarHBondContact OD1-OG 3.01Å; I267-S312 PolarHBondContact N-O 3.44Å; T295-S312 CarbonylContact O-C 3.58Å; T295-S312 VanDerWaalsContact O-CA 3.23Å; T295-S312 WeakPolarHBondContact O-CA 3.26Å |
| 313 | I | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 110.3 | 170.7 | -52 | 174 | 0 | 0 | 0 | 107.9 | P249 F253 I267 V269 L284 T295 V296 G297 F315 | P249-I313 HydrophobicContact CB-CD1 4.14Å; P249-I313 HydrophobicContact CB-CG2 3.82Å; F253-I313 HydrophobicContact CB-CD1 3.84Å; F253-I313 HydrophobicContact CB-CG1 4.31Å; F253-I313 HydrophobicContact CD1-CD1 4.27Å; F253-I313 HydrophobicContact CD2-CG1 4.25Å; F253-I313 HydrophobicContact CG-CD1 3.98Å; F253-I313 HydrophobicContact CG-CG1 4.17Å; I267-I313 HydrophobicContact CB-CG1 4.34Å; I267-I313 HydrophobicContact CB-CG2 4.46Å; I267-I313 HydrophobicContact CD1-CG1 4.32Å; I267-I313 CarbonylContact O-C 3.52Å; I267-I313 WeakPolarHBondContact O-CA 3.24Å; V269-I313 HydrophobicContact CG2-CG2 4.15Å; L284-I313 HydrophobicContact CD2-CB 4.18Å; L284-I313 HydrophobicContact CD2-CD1 3.88Å; L284-I313 HydrophobicContact CD2-CG2 3.68Å; T295-I313 PolarHBondContact O-N 2.96Å; V296-I313 CarbonylContact C-O 3.56Å; V296-I313 WeakPolarHBondContact CA-O 3.31Å; V296-I313 HydrophobicContact CG2-CB 4.47Å; G297-I313 PolarHBondContact N-O 3.49Å; I313-F315 HydrophobicContact CG2-CE2 4.25Å |
| 314 | V | 98.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.2 | -176.4 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | I267 V268 V269 G297 N299 L306 P307 M316 | I267-V314 PolarHBondContact O-N 3.21Å; V268-V314 WeakPolarHBondContact CA-O 3.48Å; V269-V314 PolarHBondContact N-O 2.86Å; G297-V314 WeakPolarHBondContact O-CA 3.47Å; N299-V314 HydrophobicContact CB-CG1 4.41Å; L306-V314 HydrophobicContact CD2-CG1 3.64Å; L306-V314 HydrophobicContact CD2-CG2 4.16Å; P307-V314 HydrophobicContact CG-CG2 4.27Å; V314-M316 HydrophobicContact CG1-CE 4.42Å |
| 315 | F | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.7 | 170.9 | -68.4 | -93.8 | 0 | 0 | 0 | 111.2 | T245 V269 Q271 A277 M280 A281 L284 V296 G297 Y298 N299 I313 | T245-F315 HydrophobicContact CG2-CE1 4Å; V269-F315 HydrophobicContact CB-CD1 3.65Å; V269-F315 HydrophobicContact CB-CE1 3.76Å; V269-F315 HydrophobicContact CB-CG 4.3Å; V269-F315 HydrophobicContact CB-CZ 4.48Å; V269-F315 HydrophobicContact CG1-CD1 3.8Å; V269-F315 HydrophobicContact CG1-CE1 3.66Å; V269-F315 HydrophobicContact CG2-CD1 4.37Å; V269-F315 HydrophobicContact CG2-CE1 4.09Å; V269-F315 HydrophobicContact CG2-CZ 4.37Å; V269-F315 CarbonylContact O-C 3.59Å; V269-F315 VanDerWaalsContact O-CA 3.28Å; V269-F315 WeakPolarHBondContact O-CA 3.25Å; Q271-F315 HydrophobicContact CG-CD1 4.23Å; A277-F315 HydrophobicContact CB-CB 4.19Å; A277-F315 WeakPolarHBondContact O-CB 3.44Å; M280-F315 HydrophobicContact CB-CD1 3.73Å; M280-F315 HydrophobicContact CB-CE1 3.52Å; M280-F315 HydrophobicContact CB-CE2 4.45Å; M280-F315 HydrophobicContact CB-CG 4.3Å; M280-F315 HydrophobicContact CB-CZ 3.91Å; M280-F315 HydrophobicContact CG-CE1 4.42Å; A281-F315 VanDerWaalsContact CA-CD2 3.5Å; A281-F315 HydrophobicContact CB-CB 4.22Å; A281-F315 HydrophobicContact CB-CD2 3.62Å; A281-F315 HydrophobicContact CB-CE2 4.35Å; A281-F315 HydrophobicContact CB-CG 4.2Å; L284-F315 HydrophobicContact CB-CE2 3.98Å; L284-F315 HydrophobicContact CB-CZ 4.36Å; L284-F315 HydrophobicContact CD2-CE2 3.54Å; L284-F315 HydrophobicContact CD2-CZ 3.87Å; L284-F315 HydrophobicContact CG-CE2 4.37Å; V296-F315 HydrophobicContact CG1-CE2 4.39Å; G297-F315 PolarHBondContact O-N 3.45Å; Y298-F315 CarbonylContact C-O 3.48Å; Y298-F315 WeakPolarHBondContact CA-O 3.49Å; Y298-F315 WeakPolarHBondContact CB-O 3.26Å; N299-F315 PolarHBondContact N-O 3.37Å; I313-F315 HydrophobicContact CG2-CE2 4.25Å |
| 316 | M | 97.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 7% | 0.069 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 170.3 | 178.1 | 51.7 | 168.8 | 39.1 | 0 | 0 | 112.7 | V268 V269 T270 Q271 N299 V314 T320 F321 | V268-M316 HydrophobicContact CG1-CG 3.61Å; V268-M316 HydrophobicContact CG1-SD 3.67Å; V269-M316 PolarHBondContact O-N 3.32Å; T270-M316 CarbonylContact C-O 3.51Å; T270-M316 WeakPolarHBondContact CA-O 3.32Å; Q271-M316 PolarHBondContact N-O 2.91Å; N299-M316 HydrophobicContact CB-CB 4.32Å; N299-M316 HydrophobicContact CB-CE 3.81Å; N299-M316 WeakPolarHBondContact O-CA 3.29Å; N299-M316 WeakPolarHBondContact O-CB 3.44Å; V314-M316 HydrophobicContact CG1-CE 4.42Å; M316-T320 HydrophobicContact CE-CG2 4.11Å; M316-F321 HydrophobicContact SD-CB 3.68Å; M316-F321 HydrophobicContact SD-CD2 3.84Å; M316-F321 HydrophobicContact SD-CG 4.27Å |
| 317 | T | 95.9 | Very high | 94.9 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | trans | -84.9 | 151.6 | 172 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | Q271 R274 V300 G319 T320 F321 | Q271-T317 WeakPolarHBondContact O-CA 3.29Å; R274-T317 HydrophobicContact CG-CG2 3.88Å; V300-T317 HydrophobicContact CG1-CG2 4.11Å; T317-G319 PolarHBondContact O-N 3.19Å; T317-T320 PolarHBondContact O-N 3.46Å; T317-T320 PolarHBondContact OG1-N 3.22Å; T317-T320 PolarHBondContact OG1-OG1 3.32Å; T317-F321 PolarHBondContact O-N 2.52Å | ||
| 318 | P | 96.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -50.4 | -40.9 | 172.7 | -28.4 | 33.7 | 0 | 0 | 0 | 112.8 | Q271 T320 F321 L322 L348 L352 | Q271-P318 VanDerWaalsContact O-CD 3.25Å; Q271-P318 WeakPolarHBondContact O-CD 3.35Å; P318-T320 VanDerWaalsContact C-N 3.35Å; P318-T320 PolarHBondContact O-N 3.02Å; P318-F321 PolarHBondContact O-N 3.24Å; P318-L322 WeakPolarHBondContact O-CB 3.34Å; P318-L322 VanDerWaalsContact O-CG 3.3Å; P318-L322 WeakPolarHBondContact O-CG 3.3Å; P318-L322 PolarHBondContact O-N 3.04Å; P318-L348 HydrophobicContact CB-CB 3.94Å; P318-L352 HydrophobicContact CB-CD2 4.25Å |
| 319 | G | 95.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | T317 R323 | T317-G319 PolarHBondContact O-N 3.19Å; G319-R323 VanDerWaalsContact O-CB 3.25Å; G319-R323 WeakPolarHBondContact O-CB 3.34Å; G319-R323 PolarHBondContact O-N 3.49Å |
| 320 | T | 95.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 30 Ų | 30 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71 | -42.8 | 176 | -51.4 | 0 | 0 | 0 | 0 | 110.2 | N299 M316 T317 P318 R323 T324 | N299-T320 HydrophobicContact CB-CG2 4.38Å; M316-T320 HydrophobicContact CE-CG2 4.11Å; T317-T320 PolarHBondContact O-N 3.46Å; T317-T320 PolarHBondContact OG1-N 3.22Å; T317-T320 PolarHBondContact OG1-OG1 3.32Å; P318-T320 VanDerWaalsContact C-N 3.35Å; P318-T320 PolarHBondContact O-N 3.02Å; T320-R323 PolarHBondContact O-N 2.91Å; T320-T324 PolarHBondContact O-N 3.41Å; T320-T324 PolarHBondContact O-OG1 3.43Å |
| 321 | F | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -53.1 | 175.3 | -176.8 | -84.7 | 0 | 0 | 0 | 112 | V268 T270 M316 T317 P318 R323 T324 A325 V331 I334 V337 L352 Y355 M356 | V268-F321 HydrophobicContact CG1-CD2 3.89Å; V268-F321 HydrophobicContact CG1-CE2 4.22Å; T270-F321 HydrophobicContact CG2-CB 4.37Å; T270-F321 HydrophobicContact CG2-CD2 4.48Å; T270-F321 HydrophobicContact CG2-CG 4.5Å; M316-F321 HydrophobicContact SD-CB 3.68Å; M316-F321 HydrophobicContact SD-CD2 3.84Å; M316-F321 HydrophobicContact SD-CG 4.27Å; T317-F321 PolarHBondContact O-N 2.52Å; P318-F321 PolarHBondContact O-N 3.24Å; F321-R323 PolarHBondContact O-N 2.75Å; F321-T324 WeakPolarHBondContact O-CB 3.31Å; F321-T324 PolarHBondContact O-N 2.9Å; F321-T324 VanDerWaalsContact O-N 3.14Å; F321-A325 PolarHBondContact O-N 2.78Å; F321-V331 HydrophobicContact CE1-CG1 4.44Å; F321-V331 HydrophobicContact CE2-CG1 4.48Å; F321-V331 HydrophobicContact CZ-CG1 3.84Å; F321-I334 HydrophobicContact CE2-CD1 3.78Å; F321-V337 HydrophobicContact CE2-CG1 4.45Å; F321-V337 HydrophobicContact CE2-CG2 4.17Å; F321-V337 HydrophobicContact CZ-CG2 4.2Å; F321-L352 HydrophobicContact CD1-CD1 3.32Å; F321-L352 HydrophobicContact CE1-CD1 3.39Å; F321-L352 HydrophobicContact CG-CD1 4.26Å; F321-L352 HydrophobicContact CZ-CD1 4.36Å; F321-Y355 AromaticContact CE1-CD1 3.99Å; F321-Y355 HydrophobicContact CE1-CD1 3.99Å; F321-Y355 AromaticContact CE1-CE1 3.76Å; F321-Y355 HydrophobicContact CE1-CE1 3.76Å; F321-Y355 HydrophobicContact CZ-CE1 4.4Å; F321-M356 HydrophobicContact CE1-SD 4.09Å; F321-M356 HydrophobicContact CZ-SD 3.94Å |
| 322 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 180 | -68.8 | 173.1 | 0 | 0 | 0 | 111.5 | P318 A325 M326 L348 L351 L352 Y355 M595 L599 | P318-L322 WeakPolarHBondContact O-CB 3.34Å; P318-L322 VanDerWaalsContact O-CG 3.3Å; P318-L322 WeakPolarHBondContact O-CG 3.3Å; P318-L322 PolarHBondContact O-N 3.04Å; L322-A325 WeakPolarHBondContact O-CB 3.5Å; L322-A325 PolarHBondContact O-N 2.91Å; L322-M326 VanDerWaalsContact O-CG 3.31Å; L322-M326 WeakPolarHBondContact O-CG 3.26Å; L322-M326 PolarHBondContact O-N 3.16Å; L322-L348 HydrophobicContact CD1-CB 4.33Å; L322-L348 HydrophobicContact CD1-CD2 4.45Å; L322-L351 HydrophobicContact CD1-CB 4.39Å; L322-L351 HydrophobicContact CD1-CD2 4.06Å; L322-L351 HydrophobicContact CD1-CG 4.15Å; L322-L352 HydrophobicContact CD1-CB 4.47Å; L322-L352 HydrophobicContact CD2-CB 4.32Å; L322-L352 HydrophobicContact CD2-CD1 3.93Å; L322-L352 HydrophobicContact CG-CD1 4.44Å; L322-Y355 HydrophobicContact CD2-CD1 4.48Å; L322-Y355 HydrophobicContact CD2-CG 4.28Å; L322-M595 HydrophobicContact CB-CE 3.92Å; L322-M595 HydrophobicContact CD1-CE 4.28Å; L322-L599 HydrophobicContact CD2-CD1 3.85Å; L322-L599 HydrophobicContact CD2-CD2 4.4Å |
| 323 | R | 94.1 | Very high | 94 | Very high | 67 Ų | 67 | 35 Ų | 35 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 174.1 | -171.1 | 173.9 | -177.1 | 76.7 | 6.7 | 112.4 | G319 T320 F321 A325 M326 F327 H649 E761 | G319-R323 VanDerWaalsContact O-CB 3.25Å; G319-R323 WeakPolarHBondContact O-CB 3.34Å; G319-R323 PolarHBondContact O-N 3.49Å; T320-R323 PolarHBondContact O-N 2.91Å; F321-R323 PolarHBondContact O-N 2.75Å; R323-A325 VanDerWaalsContact C-N 3.3Å; R323-A325 PolarHBondContact O-N 2.98Å; R323-M326 HydrophobicContact CB-CE 4.18Å; R323-M326 HydrophobicContact CG-CE 4.37Å; R323-M326 PolarHBondContact O-N 2.75Å; R323-F327 HydrophobicContact CG-CD2 4.21Å; R323-F327 HydrophobicContact CG-CE2 4.3Å; R323-F327 WeakPolarHBondContact O-CD2 3.43Å; R323-F327 PolarHBondContact O-N 3.07Å; R323-H649 PolarHBondContact NH1-O 3.3Å; R323-H649 PolarHBondContact NH2-O 2.72Å; R323-E761 IonicContact CZ-OE1 2.77Å; R323-E761 IonicContact NE-OE1 3.74Å; R323-E761 VanDerWaalsContact NH2-CG 3.3Å; R323-E761 IonicContact NH2-OE1 3.15Å; R323-E761 PolarHBondContact NH2-OE1 3.28Å; R323-E761 IonicContact NH2-OE2 3.41Å |
| 324 | T | 93.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | T320 F321 M326 F327 T328 K330 V331 | T320-T324 PolarHBondContact O-N 3.41Å; T320-T324 PolarHBondContact O-OG1 3.43Å; F321-T324 WeakPolarHBondContact O-CB 3.31Å; F321-T324 PolarHBondContact O-N 2.9Å; F321-T324 VanDerWaalsContact O-N 3.14Å; T324-M326 VanDerWaalsContact C-N 3.33Å; T324-M326 PolarHBondContact O-N 3.09Å; T324-F327 PolarHBondContact O-N 3.09Å; T324-T328 WeakPolarHBondContact CG2-OG1 3.4Å; T324-T328 PolarHBondContact O-N 3.01Å; T324-T328 VanDerWaalsContact O-O 3.05Å; T324-T328 PolarHBondContact O-OG1 2.9Å; T324-K330 HydrophobicContact CG2-CB 4.06Å; T324-V331 HydrophobicContact CG2-CG2 4.15Å |
| 325 | A | 95.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F321 L322 R323 V331 Y355 L599 | F321-A325 PolarHBondContact O-N 2.78Å; L322-A325 WeakPolarHBondContact O-CB 3.5Å; L322-A325 PolarHBondContact O-N 2.91Å; R323-A325 VanDerWaalsContact C-N 3.3Å; R323-A325 PolarHBondContact O-N 2.98Å; A325-V331 HydrophobicContact CB-CG2 3.86Å; A325-Y355 HydrophobicContact CB-CE1 4.12Å; A325-Y355 HydrophobicContact CB-CE2 4.02Å; A325-L599 HydrophobicContact CB-CD2 3.88Å |
| 326 | M | 93.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.9 | -31.2 | 179.7 | -78.2 | -175.5 | -62.6 | 0 | 0 | 113.2 | L322 R323 T324 M595 T598 L599 | L322-M326 VanDerWaalsContact O-CG 3.31Å; L322-M326 WeakPolarHBondContact O-CG 3.26Å; L322-M326 PolarHBondContact O-N 3.16Å; R323-M326 HydrophobicContact CB-CE 4.18Å; R323-M326 HydrophobicContact CG-CE 4.37Å; R323-M326 PolarHBondContact O-N 2.75Å; T324-M326 VanDerWaalsContact C-N 3.33Å; T324-M326 PolarHBondContact O-N 3.09Å; M326-M595 HydrophobicContact CE-CE 3.85Å; M326-M595 HydrophobicContact CE-CG 4.34Å; M326-M595 HydrophobicContact SD-CB 4.3Å; M326-M595 HydrophobicContact SD-CG 4.32Å; M326-T598 HydrophobicContact CB-CG2 3.98Å; M326-T598 HydrophobicContact CG-CG2 3.84Å; M326-T598 HydrophobicContact SD-CG2 3.63Å; M326-L599 HydrophobicContact CB-CD2 4.43Å; M326-L599 HydrophobicContact CG-CD2 3.42Å; M326-L599 VanDerWaalsContact CG-CD2 3.42Å; M326-L599 HydrophobicContact CG-CG 3.55Å; M326-L599 HydrophobicContact SD-CG 4.23Å |
| 327 | F | 89.5 | Confident | 93.9 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -126.6 | -3.5 | -166.1 | -57.3 | -63.6 | 0 | 0 | 0 | 114.4 | R323 T324 T598 A648 H649 | R323-F327 HydrophobicContact CG-CD2 4.21Å; R323-F327 HydrophobicContact CG-CE2 4.3Å; R323-F327 WeakPolarHBondContact O-CD2 3.43Å; R323-F327 PolarHBondContact O-N 3.07Å; T324-F327 PolarHBondContact O-N 3.09Å; F327-T598 HydrophobicContact CE1-CG2 4.16Å; F327-T598 HydrophobicContact CZ-CG2 4.11Å; F327-A648 WeakPolarHBondContact CZ-O 3.46Å; F327-H649 AromaticContact CD1-CD2 3.9Å; F327-H649 AromaticContact CD1-NE2 3.88Å; F327-H649 AromaticContact CE1-CD2 3.57Å; F327-H649 AromaticContact CE1-CG 3.98Å; F327-H649 AromaticContact CE1-NE2 3.63Å |
| 328 | T | 88.5 | Confident | 94 | Very high | 55 Ų | 55 | 35 Ų | 35 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | trans | -145.8 | 151.2 | -177.6 | 77 | 0 | 0 | 0 | 0 | 111.6 | T324 K330 | T324-T328 WeakPolarHBondContact CG2-OG1 3.4Å; T324-T328 PolarHBondContact O-N 3.01Å; T324-T328 VanDerWaalsContact O-O 3.05Å; T324-T328 PolarHBondContact O-OG1 2.9Å; T328-K330 PolarHBondContact O-N 2.84Å; T328-K330 PolarHBondContact OG1-N 3.16Å | ||
| 329 | D | 86.7 | Confident | 94.1 | Very high | 135 Ų | 135 | 34.9 Ų | 34.9 | 72% | 0.722 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -85.3 | 9 | 171.8 | -58.8 | -39.4 | 0 | 0 | 0 | 112.4 | V331 D332 | D329-V331 PolarHBondContact O-N 3.36Å; D329-V331 VanDerWaalsContact O-N 3.09Å; D329-D332 VanDerWaalsContact O-CB 3.24Å; D329-D332 WeakPolarHBondContact O-CB 3.42Å; D329-D332 PolarHBondContact O-N 3.11Å |
| 330 | K | 86.9 | Confident | 94 | Very high | 100 Ų | 100 | 34 Ų | 34 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -60.8 | -24 | -178.4 | -65.9 | -166.3 | 178.8 | -159.4 | 0 | 112.5 | D173 T324 T328 D332 S333 | D173-K330 IonicContact OD1-NZ 3.53Å; D173-K330 PolarHBondContact OD1-NZ 2.74Å; T324-K330 HydrophobicContact CG2-CB 4.06Å; T328-K330 PolarHBondContact O-N 2.84Å; T328-K330 PolarHBondContact OG1-N 3.16Å; K330-D332 PolarHBondContact O-N 3.14Å; K330-S333 PolarHBondContact O-N 2.85Å; K330-S333 PolarHBondContact O-OG 3Å |
| 331 | V | 92 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60 | -26 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | F321 T324 A325 D329 S333 I334 Y355 M366 | F321-V331 HydrophobicContact CE1-CG1 4.44Å; F321-V331 HydrophobicContact CE2-CG1 4.48Å; F321-V331 HydrophobicContact CZ-CG1 3.84Å; T324-V331 HydrophobicContact CG2-CG2 4.15Å; A325-V331 HydrophobicContact CB-CG2 3.86Å; D329-V331 PolarHBondContact O-N 3.36Å; D329-V331 VanDerWaalsContact O-N 3.09Å; V331-S333 PolarHBondContact O-N 3.38Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.26Å; V331-I334 WeakPolarHBondContact O-CB 3.25Å; V331-I334 WeakPolarHBondContact O-CG1 3.42Å; V331-I334 PolarHBondContact O-N 3.39Å; V331-Y355 HydrophobicContact CG1-CE1 4.34Å; V331-M366 WeakPolarHBondContact O-CE 3.39Å |
| 332 | D | 91.7 | Very high | 93.4 | Very high | 70 Ų | 70 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -77 | -15.9 | -175.1 | -61.8 | 23 | 0 | 0 | 0 | 112 | D329 K330 I334 K359 M363 | D329-D332 VanDerWaalsContact O-CB 3.24Å; D329-D332 WeakPolarHBondContact O-CB 3.42Å; D329-D332 PolarHBondContact O-N 3.11Å; K330-D332 PolarHBondContact O-N 3.14Å; D332-I334 VanDerWaalsContact C-N 3.31Å; D332-K359 WeakPolarHBondContact OD1-CE 3.48Å; D332-K359 IonicContact OD1-NZ 2.6Å; D332-K359 PolarHBondContact OD1-NZ 2.54Å; D332-K359 IonicContact OD2-NZ 3.99Å; D332-K359 PolarHBondContact OD2-NZ 3.31Å; D332-K359 VanDerWaalsContact OD2-NZ 3.15Å; D332-M363 HydrophobicContact CB-CE 4.05Å; D332-M363 HydrophobicContact CB-SD 4.25Å; D332-M363 WeakPolarHBondContact O-CE 3.5Å |
| 333 | S | 90.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 51% | 0.51 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -83.5 | -5.4 | 173.7 | 72.8 | 0 | 0 | 0 | 0 | 113.9 | N266 K330 V331 | N266-S333 PolarHBondContact ND2-O 3.31Å; N266-S333 VanDerWaalsContact ND2-O 3.11Å; K330-S333 PolarHBondContact O-N 2.85Å; K330-S333 PolarHBondContact O-OG 3Å; V331-S333 PolarHBondContact O-N 3.38Å |
| 334 | I | 96.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | trans | -83.5 | 126.1 | -176.4 | -57.7 | 171 | 0 | 0 | 0 | 109.7 | V268 F321 V331 D332 H336 V337 M366 | V268-I334 HydrophobicContact CB-CD1 4.35Å; V268-I334 HydrophobicContact CB-CG2 4.37Å; V268-I334 HydrophobicContact CG2-CD1 3.64Å; V268-I334 HydrophobicContact CG2-CG1 4.06Å; V268-I334 HydrophobicContact CG2-CG2 4.19Å; F321-I334 HydrophobicContact CE2-CD1 3.78Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.26Å; V331-I334 WeakPolarHBondContact O-CB 3.25Å; V331-I334 WeakPolarHBondContact O-CG1 3.42Å; V331-I334 PolarHBondContact O-N 3.39Å; D332-I334 VanDerWaalsContact C-N 3.31Å; I334-H336 VanDerWaalsContact CG2-O 3.27Å; I334-H336 WeakPolarHBondContact CG2-O 3.23Å; I334-V337 HydrophobicContact CG2-CG2 3.75Å; I334-M366 HydrophobicContact CB-CE 4.25Å; I334-M366 VanDerWaalsContact O-CE 3.32Å; I334-M366 WeakPolarHBondContact O-CE 3.48Å | ||
| 335 | S | 97.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -84.7 | -38.5 | 177.1 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | N266 K367 | N266-S335 PolarHBondContact N-OG 2.92Å; N266-S335 PolarHBondContact O-N 2.74Å; N266-S335 PolarHBondContact O-OG 3.39Å; S335-K367 PolarHBondContact O-N 2.83Å |
| 336 | H | 98.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 127.9 | -176.1 | -62.2 | 75.1 | 0 | 0 | 0 | 110.2 | Y256 N266 I267 V268 I334 K367 | Y256-H336 AromaticContact CE2-CE1 3.61Å; Y256-H336 AromaticContact CZ-CE1 3.72Å; N266-H336 PolarHBondContact O-N 3.02Å; N266-H336 VanDerWaalsContact O-N 3.17Å; I267-H336 WeakPolarHBondContact CA-O 3.21Å; I267-H336 HydrophobicContact CB-CB 4.47Å; I267-H336 HydrophobicContact CG1-CB 4.15Å; I267-H336 HydrophobicContact CG2-CB 4.21Å; V268-H336 PolarHBondContact N-O 2.88Å; I334-H336 VanDerWaalsContact CG2-O 3.27Å; I334-H336 WeakPolarHBondContact CG2-O 3.23Å; H336-K367 WeakPolarHBondContact CA-O 3.26Å |
| 337 | V | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.9 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | V268 F321 I334 I339 M356 M366 K367 L368 I369 | V268-V337 CarbonylContact O-C 3.55Å; F321-V337 HydrophobicContact CE2-CG1 4.45Å; F321-V337 HydrophobicContact CE2-CG2 4.17Å; F321-V337 HydrophobicContact CZ-CG2 4.2Å; I334-V337 HydrophobicContact CG2-CG2 3.75Å; V337-I339 HydrophobicContact CG1-CG1 4.18Å; V337-M356 HydrophobicContact CB-CE 3.82Å; V337-M356 HydrophobicContact CG1-CE 4.12Å; V337-M356 HydrophobicContact CG1-SD 4.22Å; V337-M356 HydrophobicContact CG2-CE 3.71Å; V337-M356 HydrophobicContact CG2-SD 4.28Å; V337-M366 HydrophobicContact CG2-SD 4.21Å; V337-K367 PolarHBondContact N-O 3.36Å; V337-L368 HydrophobicContact CB-CD1 4.15Å; V337-L368 HydrophobicContact CG1-CD1 4.07Å; V337-L368 CarbonylContact O-C 3.51Å; V337-L368 VanDerWaalsContact O-CA 3.31Å; V337-L368 WeakPolarHBondContact O-CA 3.34Å; V337-L368 WeakPolarHBondContact O-CD1 3.48Å; V337-I369 PolarHBondContact O-N 2.88Å |
| 338 | I | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115 | 176.3 | -55.7 | 180 | 0 | 0 | 0 | 107.3 | I248 P249 I252 I267 V268 V269 T270 I369 M371 | I248-I338 HydrophobicContact CG2-CD1 4.19Å; P249-I338 HydrophobicContact CB-CD1 4.15Å; P249-I338 HydrophobicContact CG-CD1 3.78Å; I252-I338 HydrophobicContact CD1-CD1 4.19Å; I267-I338 HydrophobicContact CG2-CD1 3.69Å; I267-I338 HydrophobicContact CG2-CG1 4.09Å; V268-I338 PolarHBondContact O-N 3.07Å; V269-I338 CarbonylContact C-O 3.55Å; V269-I338 WeakPolarHBondContact CA-O 3.06Å; V269-I338 HydrophobicContact CB-CB 4.44Å; V269-I338 HydrophobicContact CG1-CB 4.23Å; V269-I338 HydrophobicContact CG1-CG2 4.18Å; V269-I338 HydrophobicContact CG2-CB 4.19Å; V269-I338 HydrophobicContact CG2-CD1 4.14Å; T270-I338 PolarHBondContact N-O 3.25Å; I338-I369 CarbonylContact C-O 3.39Å; I338-I369 WeakPolarHBondContact CA-O 3.5Å; I338-I369 HydrophobicContact CB-CB 4.49Å; I338-I369 HydrophobicContact CG1-CB 4.09Å; I338-I369 HydrophobicContact CG1-CD1 4.1Å; I338-I369 HydrophobicContact CG1-CG1 4.41Å; I338-I369 HydrophobicContact CG2-CB 4.29Å; I338-I369 HydrophobicContact CG2-CG2 4.47Å; I338-M371 HydrophobicContact CG2-CE 3.33Å; I338-M371 HydrophobicContact CG2-CG 3.95Å; I338-M371 HydrophobicContact CG2-SD 3.69Å |
| 339 | I | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 105.4 | 173.7 | -52.4 | 177.6 | 0 | 0 | 0 | 107.7 | T270 V337 V342 T349 L352 L353 M356 L368 I369 L370 M371 | T270-I339 WeakPolarHBondContact OG1-CA 3.5Å; V337-I339 HydrophobicContact CG1-CG1 4.18Å; I339-V342 HydrophobicContact CB-CG1 3.93Å; I339-V342 HydrophobicContact CG2-CG1 3.44Å; I339-V342 VanDerWaalsContact CG2-CG1 3.44Å; I339-V342 WeakPolarHBondContact O-CG1 3.35Å; I339-T349 HydrophobicContact CG2-CG2 3.75Å; I339-L352 HydrophobicContact CD1-CD2 3.76Å; I339-L352 HydrophobicContact CD1-CG 3.78Å; I339-L352 HydrophobicContact CG1-CD2 3.94Å; I339-L352 HydrophobicContact CG1-CG 4.48Å; I339-L352 HydrophobicContact CG2-CD2 4.4Å; I339-L353 HydrophobicContact CD1-CD2 3.67Å; I339-M356 HydrophobicContact CD1-CG 4.2Å; I339-L368 HydrophobicContact CD1-CD1 3.89Å; I339-L368 HydrophobicContact CG1-CD1 3.92Å; I339-I369 PolarHBondContact N-O 3.44Å; I339-L370 HydrophobicContact CB-CD2 3.89Å; I339-L370 HydrophobicContact CD1-CD2 3.91Å; I339-L370 HydrophobicContact CG1-CD2 4.17Å; I339-M371 PolarHBondContact O-N 2.94Å |
| 340 | D | 94.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | trans | -86.7 | 160 | 177.4 | -157.3 | 6.6 | 0 | 0 | 0 | 112.2 | T245 V269 T270 Q271 V342 M371 | T245-D340 VanDerWaalsContact CB-OD2 3.26Å; T245-D340 WeakPolarHBondContact CB-OD2 3.45Å; T245-D340 WeakPolarHBondContact CG2-OD2 3.42Å; T245-D340 PolarHBondContact OG1-OD2 3.41Å; V269-D340 HydrophobicContact CG1-CB 4.48Å; T270-D340 WeakPolarHBondContact O-CB 3.38Å; T270-D340 PolarHBondContact O-N 3.07Å; T270-D340 VanDerWaalsContact O-N 3.14Å; Q271-D340 VanDerWaalsContact NE2-CB 3.31Å; Q271-D340 PolarHBondContact NE2-OD2 2.94Å; D340-V342 PolarHBondContact O-N 2.94Å; D340-M371 HydrophobicContact CB-CE 3.47Å; D340-M371 VanDerWaalsContact CB-CE 3.47Å; D340-M371 WeakPolarHBondContact OD1-CB 3.34Å; D340-M371 VanDerWaalsContact OD1-CE 3.31Å; D340-M371 WeakPolarHBondContact OD1-CE 3.24Å; D340-M371 WeakPolarHBondContact OD2-CE 3.19Å | ||
| 341 | E | 89.4 | Confident | 92.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | trans | 54 | 35.8 | 175.1 | -54.5 | -74.7 | -169.5 | 0 | 0 | 112.6 | P272 H343 E344 M371 S510 | P272-E341 HydrophobicContact CG-CB 3.92Å; E341-H343 PolarHBondContact O-N 3.19Å; E341-H343 IonicContact OE2-CE1 2.77Å; E341-H343 PolarHBondContact OE2-CE1 3.02Å; E341-H343 IonicContact OE2-ND1 3.38Å; E341-H343 IonicContact OE2-NE2 3.56Å; E341-H343 PolarHBondContact OE2-NE2 3.17Å; E341-E344 HydrophobicContact CB-CG 4.23Å; E341-E344 WeakPolarHBondContact O-CB 3.29Å; E341-E344 PolarHBondContact O-N 3.17Å; E341-M371 PolarHBondContact N-O 3.38Å; E341-M371 VanDerWaalsContact N-O 3.16Å; E341-S510 VanDerWaalsContact OE1-CA 3.24Å; E341-S510 WeakPolarHBondContact OE1-CA 3.28Å; E341-S510 VanDerWaalsContact OE1-CB 3.27Å; E341-S510 WeakPolarHBondContact OE1-CB 3.39Å; E341-S510 PolarHBondContact OE1-N 3.31Å | ||
| 342 | V | 90.8 | Very high | 93 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -59.6 | -20.9 | -176.1 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | I339 D340 E344 R345 T349 L370 M371 F380 | I339-V342 HydrophobicContact CB-CG1 3.93Å; I339-V342 HydrophobicContact CG2-CG1 3.44Å; I339-V342 VanDerWaalsContact CG2-CG1 3.44Å; I339-V342 WeakPolarHBondContact O-CG1 3.35Å; D340-V342 PolarHBondContact O-N 2.94Å; V342-E344 VanDerWaalsContact C-N 3.3Å; V342-E344 PolarHBondContact O-N 3.26Å; V342-R345 WeakPolarHBondContact O-CD 3.48Å; V342-R345 PolarHBondContact O-N 3.4Å; V342-T349 HydrophobicContact CG1-CG2 4.48Å; V342-L370 HydrophobicContact CG1-CB 4.46Å; V342-L370 HydrophobicContact CG1-CD2 4.28Å; V342-M371 WeakPolarHBondContact CG2-O 3.42Å; V342-M371 PolarHBondContact N-O 2.98Å; V342-F380 HydrophobicContact CB-CD1 4.49Å; V342-F380 HydrophobicContact CB-CE1 3.7Å; V342-F380 HydrophobicContact CB-CE2 4.3Å; V342-F380 HydrophobicContact CB-CZ 3.61Å; V342-F380 HydrophobicContact CG2-CD1 4.24Å; V342-F380 HydrophobicContact CG2-CD2 4.07Å; V342-F380 HydrophobicContact CG2-CE1 3.74Å; V342-F380 HydrophobicContact CG2-CE2 3.56Å; V342-F380 HydrophobicContact CG2-CG 4.39Å; V342-F380 HydrophobicContact CG2-CZ 3.39Å |
| 343 | H | 85.1 | Confident | 93.2 | Very high | 22 Ų | 22 | 17 Ų | 17 | 10% | 0.102 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -73.5 | -12.6 | 175.6 | 61.2 | -82.4 | 0 | 0 | 0 | 114.5 | E341 R345 S372 A373 | E341-H343 PolarHBondContact O-N 3.19Å; E341-H343 IonicContact OE2-CE1 2.77Å; E341-H343 PolarHBondContact OE2-CE1 3.02Å; E341-H343 IonicContact OE2-ND1 3.38Å; E341-H343 IonicContact OE2-NE2 3.56Å; E341-H343 PolarHBondContact OE2-NE2 3.17Å; H343-R345 PolarHBondContact O-N 3.49Å; H343-S372 WeakPolarHBondContact CB-OG 3.45Å; H343-A373 PolarHBondContact CE1-N 3.29Å; H343-A373 PolarHBondContact ND1-N 3.48Å; H343-A373 VanDerWaalsContact ND1-N 3.13Å |
| 344 | E | 81.4 | Confident | 93.5 | Very high | 45 Ų | 45 | 13.8 Ų | 13.8 | 21% | 0.21 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -67.2 | -17.8 | 171.4 | -75.9 | -168.1 | -129.6 | 0 | 0 | 112.2 | R273 E341 V342 D346 T509 | R273-E344 IonicContact CZ-OE2 3.06Å; R273-E344 IonicContact NE-OE1 2.74Å; R273-E344 IonicContact NE-OE2 3.18Å; R273-E344 PolarHBondContact NE-OE2 3.45Å; R273-E344 IonicContact NH2-OE2 2.8Å; R273-E344 PolarHBondContact NH2-OE2 3.05Å; E341-E344 HydrophobicContact CB-CG 4.23Å; E341-E344 WeakPolarHBondContact O-CB 3.29Å; E341-E344 PolarHBondContact O-N 3.17Å; V342-E344 VanDerWaalsContact C-N 3.3Å; V342-E344 PolarHBondContact O-N 3.26Å; E344-D346 PolarHBondContact O-N 3.46Å; E344-T509 HydrophobicContact CG-CG2 3.78Å; E344-T509 WeakPolarHBondContact OE1-CB 3.24Å; E344-T509 PolarHBondContact OE1-OG1 2.93Å; E344-T509 PolarHBondContact OE2-OG1 3.28Å |
| 345 | R | 82.7 | Confident | 93.5 | Very high | 27 Ų | 27 | 14 Ų | 14 | 10% | 0.102 | 7% | 0.069 | C | C | . | . | trans | 50.2 | 44.1 | -179.9 | -54.1 | -51.6 | -55.9 | -87.6 | -18 | 112.6 | V342 H343 D350 D376 P582 M613 D614 | V342-R345 WeakPolarHBondContact O-CD 3.48Å; V342-R345 PolarHBondContact O-N 3.4Å; H343-R345 PolarHBondContact O-N 3.49Å; R345-D350 IonicContact CZ-OD1 3.02Å; R345-D350 IonicContact NE-OD1 3.65Å; R345-D350 PolarHBondContact NE-OD1 3.09Å; R345-D350 IonicContact NH2-OD1 3.67Å; R345-D350 PolarHBondContact NH2-OD1 2.62Å; R345-D350 IonicContact NH2-OD2 2.85Å; R345-D376 IonicContact NH1-OD2 3.66Å; R345-D376 PolarHBondContact NH1-OD2 3.38Å; R345-P582 HydrophobicContact CB-CB 4.33Å; R345-M613 VanDerWaalsContact NH1-CE 3.27Å; R345-D614 IonicContact CZ-OD2 2.85Å; R345-D614 IonicContact NH1-OD2 3.9Å; R345-D614 PolarHBondContact NH1-OD2 2.95Å; R345-D614 IonicContact NH2-OD2 3.58Å; R345-D614 PolarHBondContact NH2-OD2 3.38Å | ||
| 346 | D | 88.9 | Confident | 93.5 | Very high | 50 Ų | 50 | 13 Ų | 13 | 27% | 0.267 | 6% | 0.063 | S | C | . | . | trans | -66.4 | 142.8 | 173.1 | 173.3 | 73.8 | 0 | 0 | 0 | 111 | P272 E344 L348 T349 D350 | P272-D346 HydrophobicContact CB-CB 4.49Å; E344-D346 PolarHBondContact O-N 3.46Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 2.97Å; D346-L348 PolarHBondContact OD2-N 3.3Å; D346-T349 WeakPolarHBondContact O-CA 3.29Å; D346-T349 WeakPolarHBondContact O-CB 3.31Å; D346-T349 PolarHBondContact O-N 2.83Å; D346-T349 PolarHBondContact OD2-N 2.82Å; D346-D350 PolarHBondContact O-N 2.88Å | ||
| 347 | I | 92.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 16.4 Ų | 16.4 | 15% | 0.154 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | -172 | -161.6 | 170.3 | 0 | 0 | 0 | 113.2 | L351 A583 I584 A587 L589 L592 | I347-L351 PolarHBondContact O-N 3.06Å; I347-A583 HydrophobicContact CB-CB 4.43Å; I347-I584 HydrophobicContact CD1-CB 4.5Å; I347-I584 HydrophobicContact CD1-CG1 4.46Å; I347-I584 HydrophobicContact CG1-CB 3.95Å; I347-I584 HydrophobicContact CG1-CG1 4Å; I347-A587 HydrophobicContact CD1-CB 4.11Å; I347-L589 HydrophobicContact CD1-CD2 3.64Å; I347-L592 HydrophobicContact CD1-CB 4.44Å; I347-L592 HydrophobicContact CD1-CD2 3.94Å; I347-L592 HydrophobicContact CG1-CD1 3.99Å; I347-L592 HydrophobicContact CG1-CD2 3.76Å; I347-L592 HydrophobicContact CG1-CG 4.38Å |
| 348 | L | 95 | Very high | 93.1 | Very high | 44 Ų | 44 | 19.5 Ų | 19.5 | 23% | 0.23 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -80.1 | -25.5 | 178.5 | -64.2 | -178.9 | 0 | 0 | 0 | 111.2 | P318 L322 D346 L352 L592 M595 | P318-L348 HydrophobicContact CB-CB 3.94Å; L322-L348 HydrophobicContact CD1-CB 4.33Å; L322-L348 HydrophobicContact CD1-CD2 4.45Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 2.97Å; D346-L348 PolarHBondContact OD2-N 3.3Å; L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.25Å; L348-L352 PolarHBondContact O-N 3.44Å; L348-L592 HydrophobicContact CD2-CD1 4.04Å; L348-M595 HydrophobicContact CD2-CE 4.24Å; L348-M595 HydrophobicContact CD2-SD 3.91Å |
| 349 | T | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 170.8 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | I339 V342 D346 L351 L352 L353 | I339-T349 HydrophobicContact CG2-CG2 3.75Å; V342-T349 HydrophobicContact CG1-CG2 4.48Å; D346-T349 WeakPolarHBondContact O-CA 3.29Å; D346-T349 WeakPolarHBondContact O-CB 3.31Å; D346-T349 PolarHBondContact O-N 2.83Å; D346-T349 PolarHBondContact OD2-N 2.82Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 3.29Å; T349-L352 WeakPolarHBondContact O-CB 3.3Å; T349-L352 PolarHBondContact O-N 2.92Å; T349-L352 VanDerWaalsContact O-N 3.13Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.46Å |
| 350 | D | 94.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.8 | -77.7 | -27.9 | 0 | 0 | 0 | 112.1 | R345 D346 L353 V354 I584 | R345-D350 IonicContact CZ-OD1 3.02Å; R345-D350 IonicContact NE-OD1 3.65Å; R345-D350 PolarHBondContact NE-OD1 3.09Å; R345-D350 IonicContact NH2-OD1 3.67Å; R345-D350 PolarHBondContact NH2-OD1 2.62Å; R345-D350 IonicContact NH2-OD2 2.85Å; D346-D350 PolarHBondContact O-N 2.88Å; D350-L353 PolarHBondContact O-N 3.34Å; D350-V354 PolarHBondContact O-N 2.87Å; D350-I584 HydrophobicContact CB-CD1 4.06Å |
| 351 | L | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 172.9 | 177.5 | 59.3 | 0 | 0 | 0 | 112.2 | L322 I347 T349 L353 V354 Y355 L592 M595 T596 L599 F600 L609 | L322-L351 HydrophobicContact CD1-CB 4.39Å; L322-L351 HydrophobicContact CD1-CD2 4.06Å; L322-L351 HydrophobicContact CD1-CG 4.15Å; I347-L351 PolarHBondContact O-N 3.06Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 3.29Å; L351-L353 VanDerWaalsContact C-N 3.31Å; L351-L353 PolarHBondContact O-N 3.22Å; L351-V354 PolarHBondContact O-N 3.35Å; L351-Y355 PolarHBondContact O-N 3.47Å; L351-L592 HydrophobicContact CB-CD1 3.9Å; L351-L592 HydrophobicContact CD2-CD1 3.69Å; L351-L592 HydrophobicContact CD2-CG 4.49Å; L351-L592 HydrophobicContact CG-CD1 4.39Å; L351-M595 HydrophobicContact CD2-CB 4.18Å; L351-T596 HydrophobicContact CD1-CG2 4.31Å; L351-T596 WeakPolarHBondContact CD1-OG1 3.48Å; L351-L599 HydrophobicContact CD1-CD1 4.36Å; L351-L599 HydrophobicContact CD2-CD1 3.92Å; L351-L599 HydrophobicContact CG-CD1 4.14Å; L351-F600 HydrophobicContact CD1-CE2 4.09Å; L351-L609 HydrophobicContact CD1-CD2 4.27Å |
| 352 | L | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 175.7 | 177.2 | 61.9 | 0 | 0 | 0 | 111.9 | T270 P318 F321 L322 I339 L348 T349 V354 Y355 M356 | T270-L352 HydrophobicContact CG2-CD2 3.85Å; P318-L352 HydrophobicContact CB-CD2 4.25Å; F321-L352 HydrophobicContact CD1-CD1 3.32Å; F321-L352 HydrophobicContact CE1-CD1 3.39Å; F321-L352 HydrophobicContact CG-CD1 4.26Å; F321-L352 HydrophobicContact CZ-CD1 4.36Å; L322-L352 HydrophobicContact CD1-CB 4.47Å; L322-L352 HydrophobicContact CD2-CB 4.32Å; L322-L352 HydrophobicContact CD2-CD1 3.93Å; L322-L352 HydrophobicContact CG-CD1 4.44Å; I339-L352 HydrophobicContact CD1-CD2 3.76Å; I339-L352 HydrophobicContact CD1-CG 3.78Å; I339-L352 HydrophobicContact CG1-CD2 3.94Å; I339-L352 HydrophobicContact CG1-CG 4.48Å; I339-L352 HydrophobicContact CG2-CD2 4.4Å; L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.25Å; L348-L352 PolarHBondContact O-N 3.44Å; T349-L352 WeakPolarHBondContact O-CB 3.3Å; T349-L352 PolarHBondContact O-N 2.92Å; T349-L352 VanDerWaalsContact O-N 3.13Å; L352-V354 VanDerWaalsContact C-N 3.33Å; L352-V354 PolarHBondContact O-N 2.95Å; L352-Y355 HydrophobicContact CD1-CD1 4.29Å; L352-Y355 PolarHBondContact O-N 3.19Å; L352-M356 HydrophobicContact CD1-CG 3.93Å; L352-M356 HydrophobicContact CD1-SD 4.32Å; L352-M356 HydrophobicContact CG-CG 4.25Å; L352-M356 WeakPolarHBondContact O-CB 3.47Å; L352-M356 VanDerWaalsContact O-CG 3.29Å; L352-M356 WeakPolarHBondContact O-CG 3.31Å; L352-M356 PolarHBondContact O-N 3.04Å |
| 353 | L | 96.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.3 | -64.7 | 170.2 | 0 | 0 | 0 | 111.7 | I339 T349 D350 L351 M356 K357 L370 F380 F383 F384 M613 | I339-L353 HydrophobicContact CD1-CD2 3.67Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.46Å; D350-L353 PolarHBondContact O-N 3.34Å; L351-L353 VanDerWaalsContact C-N 3.31Å; L351-L353 PolarHBondContact O-N 3.22Å; L353-M356 PolarHBondContact O-N 3.17Å; L353-K357 WeakPolarHBondContact O-CB 3.4Å; L353-K357 PolarHBondContact O-N 3.29Å; L353-L370 HydrophobicContact CD2-CD1 4.42Å; L353-L370 HydrophobicContact CD2-CD2 3.67Å; L353-F380 HydrophobicContact CD1-CD1 4.4Å; L353-F380 HydrophobicContact CD1-CE1 4.02Å; L353-F383 HydrophobicContact CB-CE1 4.16Å; L353-F384 HydrophobicContact CB-CZ 4.34Å; L353-F384 HydrophobicContact CD2-CE2 3.87Å; L353-F384 HydrophobicContact CD2-CZ 4.05Å; L353-M613 HydrophobicContact CD1-CE 4.2Å |
| 354 | V | 96 | Very high | 93.8 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | D350 L351 L352 K357 Q358 F383 F600 M608 C612 | D350-V354 PolarHBondContact O-N 2.87Å; L351-V354 PolarHBondContact O-N 3.35Å; L352-V354 VanDerWaalsContact C-N 3.33Å; L352-V354 PolarHBondContact O-N 2.95Å; V354-K357 PolarHBondContact O-N 3.06Å; V354-Q358 PolarHBondContact O-N 3.47Å; V354-F383 HydrophobicContact CG2-CZ 4.27Å; V354-F600 HydrophobicContact CG1-CE2 4.48Å; V354-F600 HydrophobicContact CG1-CZ 4.14Å; V354-M608 HydrophobicContact CG1-CG 3.95Å; V354-M608 HydrophobicContact CG1-SD 3.34Å; V354-M608 WeakPolarHBondContact CG1-SD 3.36Å; V354-C612 HydrophobicContact CG2-CB 4.29Å |
| 355 | Y | 96.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 175 | 173.8 | -95.5 | 0 | 0 | 0 | 111.9 | F321 L322 A325 V331 L351 L352 K357 Q358 K359 L599 F600 | F321-Y355 AromaticContact CE1-CD1 3.99Å; F321-Y355 HydrophobicContact CE1-CD1 3.99Å; F321-Y355 AromaticContact CE1-CE1 3.76Å; F321-Y355 HydrophobicContact CE1-CE1 3.76Å; F321-Y355 HydrophobicContact CZ-CE1 4.4Å; L322-Y355 HydrophobicContact CD2-CD1 4.48Å; L322-Y355 HydrophobicContact CD2-CG 4.28Å; A325-Y355 HydrophobicContact CB-CE1 4.12Å; A325-Y355 HydrophobicContact CB-CE2 4.02Å; V331-Y355 HydrophobicContact CG1-CE1 4.34Å; L351-Y355 PolarHBondContact O-N 3.47Å; L352-Y355 HydrophobicContact CD1-CD1 4.29Å; L352-Y355 PolarHBondContact O-N 3.19Å; Y355-K357 VanDerWaalsContact C-N 3.32Å; Y355-K357 PolarHBondContact O-N 3.2Å; Y355-Q358 PolarHBondContact O-N 3.44Å; Y355-Q358 VanDerWaalsContact O-N 3.16Å; Y355-K359 HydrophobicContact CE1-CB 4.11Å; Y355-K359 HydrophobicContact CE1-CG 4.2Å; Y355-K359 WeakPolarHBondContact O-CB 3.05Å; Y355-K359 PolarHBondContact O-N 3.37Å; Y355-L599 HydrophobicContact CD2-CD2 4Å; Y355-L599 HydrophobicContact CE2-CD2 4.1Å; Y355-F600 HydrophobicContact CD2-CE1 4.35Å; Y355-F600 HydrophobicContact CD2-CZ 4.26Å |
| 356 | M | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 179.6 | -70.7 | -52.2 | -59.2 | 0 | 0 | 111.8 | F321 V337 I339 L352 L353 Q358 K359 L360 M366 L368 | F321-M356 HydrophobicContact CE1-SD 4.09Å; F321-M356 HydrophobicContact CZ-SD 3.94Å; V337-M356 HydrophobicContact CB-CE 3.82Å; V337-M356 HydrophobicContact CG1-CE 4.12Å; V337-M356 HydrophobicContact CG1-SD 4.22Å; V337-M356 HydrophobicContact CG2-CE 3.71Å; V337-M356 HydrophobicContact CG2-SD 4.28Å; I339-M356 HydrophobicContact CD1-CG 4.2Å; L352-M356 HydrophobicContact CD1-CG 3.93Å; L352-M356 HydrophobicContact CD1-SD 4.32Å; L352-M356 HydrophobicContact CG-CG 4.25Å; L352-M356 WeakPolarHBondContact O-CB 3.47Å; L352-M356 VanDerWaalsContact O-CG 3.29Å; L352-M356 WeakPolarHBondContact O-CG 3.31Å; L352-M356 PolarHBondContact O-N 3.04Å; L353-M356 PolarHBondContact O-N 3.17Å; M356-Q358 PolarHBondContact O-N 3.39Å; M356-K359 PolarHBondContact O-N 2.89Å; M356-L360 HydrophobicContact CE-CD2 4.25Å; M356-L360 HydrophobicContact CE-CG 4.25Å; M356-L360 VanDerWaalsContact O-CB 3.31Å; M356-L360 WeakPolarHBondContact O-CB 3.26Å; M356-L360 WeakPolarHBondContact O-CD1 3.1Å; M356-L360 WeakPolarHBondContact O-CG 3.36Å; M356-L360 PolarHBondContact O-N 3.4Å; M356-M366 HydrophobicContact CE-SD 3.72Å; M356-L368 HydrophobicContact CB-CD2 4.13Å; M356-L368 HydrophobicContact CE-CD1 4.38Å; M356-L368 HydrophobicContact CG-CD1 4.5Å |
| 357 | K | 96 | Very high | 95.6 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 34% | 0.335 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.8 | -38.2 | 177 | -173.4 | 164.9 | -175.4 | 166.1 | 0 | 112.4 | L353 V354 Y355 F383 F384 D385 | L353-K357 WeakPolarHBondContact O-CB 3.4Å; L353-K357 PolarHBondContact O-N 3.29Å; V354-K357 PolarHBondContact O-N 3.06Å; Y355-K357 VanDerWaalsContact C-N 3.32Å; Y355-K357 PolarHBondContact O-N 3.2Å; K357-F383 HydrophobicContact CB-CE1 4.22Å; K357-F383 HydrophobicContact CD-CD1 4.37Å; K357-F383 HydrophobicContact CD-CE1 3.87Å; K357-F383 HydrophobicContact CD-CZ 4.03Å; K357-F383 WeakPolarHBondContact CE-O 3.44Å; K357-F383 PolarHBondContact NZ-O 2.96Å; K357-F384 HydrophobicContact CB-CE1 3.94Å; K357-D385 IonicContact NZ-OD1 3.66Å |
| 358 | Q | 94.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 34.7 Ų | 34.7 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -78.5 | -42.2 | 175.3 | -63.8 | -169.3 | 11.4 | 0 | 0 | 112.8 | V354 Y355 M356 L360 A361 L362 F600 M608 | V354-Q358 PolarHBondContact O-N 3.47Å; Y355-Q358 PolarHBondContact O-N 3.44Å; Y355-Q358 VanDerWaalsContact O-N 3.16Å; M356-Q358 PolarHBondContact O-N 3.39Å; Q358-L360 VanDerWaalsContact C-N 3.33Å; Q358-L360 PolarHBondContact O-N 2.96Å; Q358-A361 WeakPolarHBondContact O-CB 3.43Å; Q358-A361 PolarHBondContact O-N 3Å; Q358-L362 PolarHBondContact O-N 3.44Å; Q358-F600 HydrophobicContact CB-CE1 4.42Å; Q358-F600 VanDerWaalsContact CD-CE1 3.47Å; Q358-F600 HydrophobicContact CG-CE1 4.27Å; Q358-M608 PolarHBondContact NE2-SD 3.45Å |
| 359 | K | 95.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | -177.9 | -167.8 | 59 | 164.8 | 171.5 | 0 | 111.8 | D332 Y355 M356 A361 L362 M363 M366 | D332-K359 WeakPolarHBondContact OD1-CE 3.48Å; D332-K359 IonicContact OD1-NZ 2.6Å; D332-K359 PolarHBondContact OD1-NZ 2.54Å; D332-K359 IonicContact OD2-NZ 3.99Å; D332-K359 PolarHBondContact OD2-NZ 3.31Å; D332-K359 VanDerWaalsContact OD2-NZ 3.15Å; Y355-K359 HydrophobicContact CE1-CB 4.11Å; Y355-K359 HydrophobicContact CE1-CG 4.2Å; Y355-K359 WeakPolarHBondContact O-CB 3.05Å; Y355-K359 PolarHBondContact O-N 3.37Å; M356-K359 PolarHBondContact O-N 2.89Å; K359-A361 VanDerWaalsContact C-N 3.3Å; K359-A361 PolarHBondContact O-N 3.33Å; K359-L362 CarbonylContact O-C 3.5Å; K359-L362 PolarHBondContact O-N 2.88Å; K359-L362 VanDerWaalsContact O-N 3.07Å; K359-M363 HydrophobicContact CD-SD 4.08Å; K359-M363 WeakPolarHBondContact CE-SD 3.48Å; K359-M363 HydrophobicContact CG-SD 4.35Å; K359-M363 PolarHBondContact O-N 3.5Å; K359-M366 HydrophobicContact CG-SD 4.47Å |
| 360 | L | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.3 | -70.1 | 170.4 | 0 | 0 | 0 | 112.8 | Q232 V233 M356 Q358 L362 M363 M366 L368 F384 | Q232-L360 HydrophobicContact CG-CD2 4.1Å; Q232-L360 PolarHBondContact NE2-O 2.93Å; V233-L360 HydrophobicContact CG2-CD1 3.71Å; M356-L360 HydrophobicContact CE-CD2 4.25Å; M356-L360 HydrophobicContact CE-CG 4.25Å; M356-L360 VanDerWaalsContact O-CB 3.31Å; M356-L360 WeakPolarHBondContact O-CB 3.26Å; M356-L360 WeakPolarHBondContact O-CD1 3.1Å; M356-L360 WeakPolarHBondContact O-CG 3.36Å; M356-L360 PolarHBondContact O-N 3.4Å; Q358-L360 VanDerWaalsContact C-N 3.33Å; Q358-L360 PolarHBondContact O-N 2.96Å; L360-L362 VanDerWaalsContact C-N 3.27Å; L360-L362 PolarHBondContact O-N 3.47Å; L360-M363 CarbonylContact O-C 3.49Å; L360-M363 PolarHBondContact O-N 3.28Å; L360-M366 HydrophobicContact CD2-CB 4.22Å; L360-M366 HydrophobicContact CD2-CG 4.1Å; L360-M366 WeakPolarHBondContact CD2-O 3.36Å; L360-M366 HydrophobicContact CD2-SD 4.35Å; L360-L368 HydrophobicContact CD1-CB 3.83Å; L360-L368 HydrophobicContact CD1-CD2 3.67Å; L360-L368 HydrophobicContact CD1-CG 4.4Å; L360-L368 HydrophobicContact CD2-CB 4.2Å; L360-F384 HydrophobicContact CD1-CD1 4.48Å; L360-F384 HydrophobicContact CD1-CE1 4.25Å |
| 361 | A | 95 | Very high | 96.2 | Very high | 80 Ų | 80 | 32.4 Ų | 32.4 | 66% | 0.661 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.1 | -29.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q358 K359 | Q358-A361 WeakPolarHBondContact O-CB 3.43Å; Q358-A361 PolarHBondContact O-N 3Å; K359-A361 VanDerWaalsContact C-N 3.3Å; K359-A361 PolarHBondContact O-N 3.33Å |
| 362 | L | 94.4 | Very high | 95.8 | Very high | 137 Ų | 137 | 32.4 Ų | 32.4 | 72% | 0.717 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -85 | -23.3 | 175.2 | -62.1 | 174.2 | 0 | 0 | 0 | 112.8 | Q358 K359 L360 | Q358-L362 PolarHBondContact O-N 3.44Å; K359-L362 CarbonylContact O-C 3.5Å; K359-L362 PolarHBondContact O-N 2.88Å; K359-L362 VanDerWaalsContact O-N 3.07Å; L360-L362 VanDerWaalsContact C-N 3.27Å; L360-L362 PolarHBondContact O-N 3.47Å |
| 363 | M | 95.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 14% | 0.143 | 19% | 0.19 | C | C | . | . | trans | -129.2 | 79.9 | -174.5 | -66.8 | -173.7 | 73.1 | 0 | 0 | 112.2 | Q232 D332 K359 L360 S365 M366 | Q232-M363 PolarHBondContact NE2-O 3.14Å; D332-M363 HydrophobicContact CB-CE 4.05Å; D332-M363 HydrophobicContact CB-SD 4.25Å; D332-M363 WeakPolarHBondContact O-CE 3.5Å; K359-M363 HydrophobicContact CD-SD 4.08Å; K359-M363 WeakPolarHBondContact CE-SD 3.48Å; K359-M363 HydrophobicContact CG-SD 4.35Å; K359-M363 PolarHBondContact O-N 3.5Å; L360-M363 CarbonylContact O-C 3.49Å; L360-M363 PolarHBondContact O-N 3.28Å; M363-S365 PolarHBondContact O-N 2.95Å; M363-S365 VanDerWaalsContact O-N 3.11Å; M363-M366 HydrophobicContact CB-CB 4.13Å; M363-M366 HydrophobicContact CE-CE 3.88Å; M363-M366 PolarHBondContact O-N 3.15Å; M363-M366 VanDerWaalsContact O-N 3.1Å; M363-M366 HydrophobicContact SD-CE 3.76Å | ||
| 364 | P | 94 | Very high | 93.5 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 66% | 0.656 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.5 | -176.3 | -25.7 | 35.6 | 0 | 0 | 0 | 115.4 | ||
| 365 | S | 94.2 | Very high | 92.2 | Very high | 97 Ų | 97 | 38 Ų | 38 | 68% | 0.678 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.7 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | M363 | M363-S365 PolarHBondContact O-N 2.95Å; M363-S365 VanDerWaalsContact O-N 3.11Å |
| 366 | M | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -73.7 | 134 | -179.4 | -177.8 | -177.9 | -75.4 | 0 | 0 | 110 | Q232 V331 I334 V337 M356 K359 L360 M363 | Q232-M366 WeakPolarHBondContact CG-O 3.33Å; Q232-M366 PolarHBondContact NE2-O 2.89Å; V331-M366 WeakPolarHBondContact O-CE 3.39Å; I334-M366 HydrophobicContact CB-CE 4.25Å; I334-M366 VanDerWaalsContact O-CE 3.32Å; I334-M366 WeakPolarHBondContact O-CE 3.48Å; V337-M366 HydrophobicContact CG2-SD 4.21Å; M356-M366 HydrophobicContact CE-SD 3.72Å; K359-M366 HydrophobicContact CG-SD 4.47Å; L360-M366 HydrophobicContact CD2-CB 4.22Å; L360-M366 HydrophobicContact CD2-CG 4.1Å; L360-M366 WeakPolarHBondContact CD2-O 3.36Å; L360-M366 HydrophobicContact CD2-SD 4.35Å; M363-M366 HydrophobicContact CB-CB 4.13Å; M363-M366 HydrophobicContact CE-CE 3.88Å; M363-M366 PolarHBondContact O-N 3.15Å; M363-M366 VanDerWaalsContact O-N 3.1Å; M363-M366 HydrophobicContact SD-CE 3.76Å | ||
| 367 | K | 98.5 | Very high | 90.6 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 146.2 | 177.9 | -57 | -64 | -172.9 | 161.9 | 0 | 111.4 | L228 H231 Q232 S335 H336 V337 | L228-K367 HydrophobicContact CD2-CB 4.46Å; L228-K367 WeakPolarHBondContact O-CE 3.32Å; L228-K367 PolarHBondContact O-NZ 3.16Å; H231-K367 WeakPolarHBondContact O-CD 3.31Å; H231-K367 PolarHBondContact O-NZ 3.35Å; Q232-K367 HydrophobicContact CG-CD 4.49Å; Q232-K367 CarbonylContact O-C 3.58Å; Q232-K367 WeakPolarHBondContact O-CA 3.49Å; S335-K367 PolarHBondContact O-N 2.83Å; H336-K367 WeakPolarHBondContact CA-O 3.26Å; V337-K367 PolarHBondContact N-O 3.36Å |
| 368 | L | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129 | 176.3 | 175.2 | 65 | 0 | 0 | 0 | 111 | Q232 V233 V234 V337 I339 M356 L360 L370 F384 | Q232-L368 PolarHBondContact O-N 3.42Å; V233-L368 CarbonylContact C-O 3.54Å; V233-L368 VanDerWaalsContact CA-O 3.26Å; V233-L368 WeakPolarHBondContact CA-O 2.98Å; V233-L368 HydrophobicContact CG1-CB 4.24Å; V233-L368 HydrophobicContact CG1-CD2 4.03Å; V233-L368 HydrophobicContact CG1-CG 4.15Å; V233-L368 HydrophobicContact CG2-CB 4.22Å; V233-L368 HydrophobicContact CG2-CD2 4.43Å; V234-L368 PolarHBondContact N-O 3.1Å; V337-L368 HydrophobicContact CB-CD1 4.15Å; V337-L368 HydrophobicContact CG1-CD1 4.07Å; V337-L368 CarbonylContact O-C 3.51Å; V337-L368 VanDerWaalsContact O-CA 3.31Å; V337-L368 WeakPolarHBondContact O-CA 3.34Å; V337-L368 WeakPolarHBondContact O-CD1 3.48Å; I339-L368 HydrophobicContact CD1-CD1 3.89Å; I339-L368 HydrophobicContact CG1-CD1 3.92Å; M356-L368 HydrophobicContact CB-CD2 4.13Å; M356-L368 HydrophobicContact CE-CD1 4.38Å; M356-L368 HydrophobicContact CG-CD1 4.5Å; L360-L368 HydrophobicContact CD1-CB 3.83Å; L360-L368 HydrophobicContact CD1-CD2 3.67Å; L360-L368 HydrophobicContact CD1-CG 4.4Å; L360-L368 HydrophobicContact CD2-CB 4.2Å; L368-L370 HydrophobicContact CD1-CD2 3.97Å; L368-L370 HydrophobicContact CD2-CD2 4.05Å; L368-L370 HydrophobicContact CD2-CG 4.49Å; L368-L370 HydrophobicContact CG-CD2 4.02Å; L368-L370 HydrophobicContact CG-CG 4.4Å; L368-F384 HydrophobicContact CD2-CD1 4.15Å; L368-F384 HydrophobicContact CD2-CE1 3.56Å; L368-F384 HydrophobicContact CD2-CE2 4.22Å; L368-F384 HydrophobicContact CD2-CZ 3.6Å |
| 369 | I | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.5 | 172.2 | -57.8 | 75.6 | 0 | 0 | 0 | 108.5 | L228 V234 V236 I248 I252 V337 I338 I339 M371 | L228-I369 HydrophobicContact CD1-CD1 4.4Å; L228-I369 HydrophobicContact CD1-CG1 4.39Å; L228-I369 HydrophobicContact CD2-CD1 3.8Å; L228-I369 HydrophobicContact CD2-CG1 3.87Å; V234-I369 WeakPolarHBondContact O-CA 3.31Å; V236-I369 HydrophobicContact CG2-CG2 4.02Å; I248-I369 HydrophobicContact CG2-CG2 4.48Å; I252-I369 HydrophobicContact CD1-CD1 3.96Å; I252-I369 HydrophobicContact CD1-CG1 4.33Å; V337-I369 PolarHBondContact O-N 2.88Å; I338-I369 CarbonylContact C-O 3.39Å; I338-I369 WeakPolarHBondContact CA-O 3.5Å; I338-I369 HydrophobicContact CB-CB 4.49Å; I338-I369 HydrophobicContact CG1-CB 4.09Å; I338-I369 HydrophobicContact CG1-CD1 4.1Å; I338-I369 HydrophobicContact CG1-CG1 4.41Å; I338-I369 HydrophobicContact CG2-CB 4.29Å; I338-I369 HydrophobicContact CG2-CG2 4.47Å; I339-I369 PolarHBondContact N-O 3.44Å; I369-M371 HydrophobicContact CG2-CG 4.01Å |
| 370 | L | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 173.1 | -56.2 | 179.8 | 0 | 0 | 0 | 109.1 | V234 V235 V236 I339 V342 L353 L368 F380 F384 | V234-L370 PolarHBondContact O-N 3.35Å; V235-L370 CarbonylContact C-O 3.56Å; V235-L370 WeakPolarHBondContact CA-O 3.43Å; V235-L370 HydrophobicContact CG2-CB 4.26Å; V235-L370 HydrophobicContact CG2-CD1 4.19Å; V236-L370 PolarHBondContact N-O 3.08Å; I339-L370 HydrophobicContact CB-CD2 3.89Å; I339-L370 HydrophobicContact CD1-CD2 3.91Å; I339-L370 HydrophobicContact CG1-CD2 4.17Å; V342-L370 HydrophobicContact CG1-CB 4.46Å; V342-L370 HydrophobicContact CG1-CD2 4.28Å; L353-L370 HydrophobicContact CD2-CD1 4.42Å; L353-L370 HydrophobicContact CD2-CD2 3.67Å; L368-L370 HydrophobicContact CD1-CD2 3.97Å; L368-L370 HydrophobicContact CD2-CD2 4.05Å; L368-L370 HydrophobicContact CD2-CG 4.49Å; L368-L370 HydrophobicContact CG-CD2 4.02Å; L368-L370 HydrophobicContact CG-CG 4.4Å; L370-F380 HydrophobicContact CD1-CB 4.02Å; L370-F380 HydrophobicContact CD1-CD1 4.26Å; L370-F380 HydrophobicContact CD1-CG 4.45Å; L370-F384 HydrophobicContact CD1-CD2 3.55Å; L370-F384 HydrophobicContact CD1-CE2 3.51Å; L370-F384 HydrophobicContact CD2-CE2 4.46Å |
| 371 | M | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.5 | 180 | -55.5 | -171.6 | -57.9 | 0 | 0 | 110.7 | V236 K244 I248 V269 I338 I339 D340 E341 V342 I369 | V236-M371 WeakPolarHBondContact O-CA 3.49Å; K244-M371 HydrophobicContact CB-SD 3.93Å; I248-M371 HydrophobicContact CB-SD 4.18Å; I248-M371 HydrophobicContact CD1-CG 4.33Å; I248-M371 HydrophobicContact CD1-SD 3.58Å; I248-M371 VanDerWaalsContact CD1-SD 3.58Å; I248-M371 HydrophobicContact CG1-SD 4.45Å; I248-M371 HydrophobicContact CG2-SD 4.32Å; V269-M371 HydrophobicContact CG1-CE 4.48Å; I338-M371 HydrophobicContact CG2-CE 3.33Å; I338-M371 HydrophobicContact CG2-CG 3.95Å; I338-M371 HydrophobicContact CG2-SD 3.69Å; I339-M371 PolarHBondContact O-N 2.94Å; D340-M371 HydrophobicContact CB-CE 3.47Å; D340-M371 VanDerWaalsContact CB-CE 3.47Å; D340-M371 WeakPolarHBondContact OD1-CB 3.34Å; D340-M371 VanDerWaalsContact OD1-CE 3.31Å; D340-M371 WeakPolarHBondContact OD1-CE 3.24Å; D340-M371 WeakPolarHBondContact OD2-CE 3.19Å; E341-M371 PolarHBondContact N-O 3.38Å; E341-M371 VanDerWaalsContact N-O 3.16Å; V342-M371 WeakPolarHBondContact CG2-O 3.42Å; V342-M371 PolarHBondContact N-O 2.98Å; I369-M371 HydrophobicContact CG2-CG 4.01Å |
| 372 | S | 88.1 | Confident | 90 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.3 | -176.8 | -162 | 0 | 0 | 0 | 0 | 111.8 | V236 A237 G238 H343 I375 | V236-S372 PolarHBondContact O-N 3.4Å; A237-S372 WeakPolarHBondContact CA-O 3.34Å; G238-S372 PolarHBondContact N-O 2.76Å; H343-S372 WeakPolarHBondContact CB-OG 3.45Å; S372-I375 PolarHBondContact OG-O 2.87Å |
| 373 | A | 77.5 | Confident | 90 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | trans | -61.3 | 149.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G238 H343 I375 | G238-A373 WeakPolarHBondContact O-CA 3.31Å; H343-A373 PolarHBondContact CE1-N 3.29Å; H343-A373 PolarHBondContact ND1-N 3.48Å; H343-A373 VanDerWaalsContact ND1-N 3.13Å; A373-I375 PolarHBondContact O-N 3Å | ||
| 374 | S | 67.7 | Low | 90.1 | Very high | 64 Ų | 64 | 33.2 Ų | 33.2 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -48.7 | -5.9 | -169.5 | 41.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 375 | I | 68 | Low | 90.1 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 26% | 0.256 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -72.3 | 143.9 | 175.3 | -57.4 | 170 | 0 | 0 | 0 | 112.2 | S372 A373 T377 F579 | S372-I375 PolarHBondContact OG-O 2.87Å; A373-I375 PolarHBondContact O-N 3Å; I375-T377 PolarHBondContact O-N 3.47Å; I375-F579 HydrophobicContact CD1-CE1 4.46Å; I375-F579 HydrophobicContact CG2-CD1 4.13Å; I375-F579 HydrophobicContact CG2-CE1 3.5Å; I375-F579 VanDerWaalsContact CG2-CE1 3.5Å; I375-F579 HydrophobicContact CG2-CZ 4.27Å |
| 376 | D | 74.9 | Confident | 90.2 | Very high | 60 Ų | 60 | 35.7 Ų | 35.7 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 59.4 | 13.4 | 168.7 | -147.5 | 18.1 | 0 | 0 | 0 | 116.9 | R345 A378 K379 F380 | R345-D376 IonicContact NH1-OD2 3.66Å; R345-D376 PolarHBondContact NH1-OD2 3.38Å; D376-A378 VanDerWaalsContact C-N 3.26Å; D376-A378 PolarHBondContact O-N 2.92Å; D376-K379 WeakPolarHBondContact O-CB 3.33Å; D376-K379 PolarHBondContact O-N 2.96Å; D376-K379 WeakPolarHBondContact OD1-CB 3.35Å; D376-K379 WeakPolarHBondContact OD1-CD 3.39Å; D376-K379 WeakPolarHBondContact OD2-CD 3.28Å; D376-F380 HydrophobicContact CB-CD2 4.45Å; D376-F380 HydrophobicContact CB-CE2 4.01Å; D376-F380 WeakPolarHBondContact O-CD2 3.43Å; D376-F380 PolarHBondContact O-N 2.88Å |
| 377 | T | 87.1 | Confident | 90.2 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.8 | -37.6 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | V235 A237 I375 K379 F380 S381 V389 | V235-T377 HydrophobicContact CG1-CG2 4.37Å; A237-T377 HydrophobicContact CB-CG2 3.4Å; A237-T377 VanDerWaalsContact CB-CG2 3.4Å; I375-T377 PolarHBondContact O-N 3.47Å; T377-K379 VanDerWaalsContact C-N 3.3Å; T377-K379 PolarHBondContact O-N 3.25Å; T377-F380 PolarHBondContact O-N 3.29Å; T377-S381 WeakPolarHBondContact O-CB 3.33Å; T377-S381 PolarHBondContact O-N 3.49Å; T377-V389 HydrophobicContact CG2-CG1 4.32Å |
| 378 | A | 89.9 | Confident | 90.1 | Very high | 75 Ų | 75 | 36.5 Ų | 36.5 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.2 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D376 S382 | D376-A378 VanDerWaalsContact C-N 3.26Å; D376-A378 PolarHBondContact O-N 2.92Å; A378-S382 VanDerWaalsContact O-CB 3.23Å; A378-S382 WeakPolarHBondContact O-CB 3.29Å; A378-S382 PolarHBondContact O-N 2.97Å |
| 379 | K | 90.5 | Very high | 90 | Very high | 66 Ų | 66 | 38.5 Ų | 38.5 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73.3 | -41.3 | 179.9 | -161.6 | -176.2 | -169 | 173.2 | 0 | 111.3 | D376 T377 S382 F383 M613 D614 | D376-K379 WeakPolarHBondContact O-CB 3.33Å; D376-K379 PolarHBondContact O-N 2.96Å; D376-K379 WeakPolarHBondContact OD1-CB 3.35Å; D376-K379 WeakPolarHBondContact OD1-CD 3.39Å; D376-K379 WeakPolarHBondContact OD2-CD 3.28Å; T377-K379 VanDerWaalsContact C-N 3.3Å; T377-K379 PolarHBondContact O-N 3.25Å; K379-S382 PolarHBondContact O-N 3.3Å; K379-F383 VanDerWaalsContact O-CB 3.27Å; K379-F383 WeakPolarHBondContact O-CB 3.46Å; K379-F383 PolarHBondContact O-N 2.91Å; K379-M613 HydrophobicContact CB-SD 4.06Å; K379-M613 HydrophobicContact CD-CG 3.58Å; K379-M613 HydrophobicContact CD-SD 3.65Å; K379-M613 VanDerWaalsContact CE-CG 3.43Å; K379-M613 WeakPolarHBondContact CE-O 3.49Å; K379-M613 HydrophobicContact CG-CG 3.7Å; K379-M613 HydrophobicContact CG-SD 3.57Å; K379-M613 VanDerWaalsContact CG-SD 3.57Å; K379-D614 IonicContact NZ-OD1 3.77Å; K379-D614 PolarHBondContact NZ-OD1 3.23Å; K379-D614 IonicContact NZ-OD2 3.48Å; K379-D614 PolarHBondContact NZ-OD2 3.49Å |
| 380 | F | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.4 | -65.6 | -68.6 | 0 | 0 | 0 | 112 | V235 V342 L353 L370 D376 T377 F383 F384 M613 | V235-F380 HydrophobicContact CG2-CB 4.11Å; V342-F380 HydrophobicContact CB-CD1 4.49Å; V342-F380 HydrophobicContact CB-CE1 3.7Å; V342-F380 HydrophobicContact CB-CE2 4.3Å; V342-F380 HydrophobicContact CB-CZ 3.61Å; V342-F380 HydrophobicContact CG2-CD1 4.24Å; V342-F380 HydrophobicContact CG2-CD2 4.07Å; V342-F380 HydrophobicContact CG2-CE1 3.74Å; V342-F380 HydrophobicContact CG2-CE2 3.56Å; V342-F380 HydrophobicContact CG2-CG 4.39Å; V342-F380 HydrophobicContact CG2-CZ 3.39Å; L353-F380 HydrophobicContact CD1-CD1 4.4Å; L353-F380 HydrophobicContact CD1-CE1 4.02Å; L370-F380 HydrophobicContact CD1-CB 4.02Å; L370-F380 HydrophobicContact CD1-CD1 4.26Å; L370-F380 HydrophobicContact CD1-CG 4.45Å; D376-F380 HydrophobicContact CB-CD2 4.45Å; D376-F380 HydrophobicContact CB-CE2 4.01Å; D376-F380 WeakPolarHBondContact O-CD2 3.43Å; D376-F380 PolarHBondContact O-N 2.88Å; T377-F380 PolarHBondContact O-N 3.29Å; F380-F383 PolarHBondContact O-N 3.13Å; F380-F384 PolarHBondContact O-N 3.33Å; F380-F384 VanDerWaalsContact O-N 3.09Å; F380-M613 HydrophobicContact CD1-CE 3.7Å; F380-M613 HydrophobicContact CD1-SD 3.78Å; F380-M613 HydrophobicContact CE1-CE 3.15Å; F380-M613 HydrophobicContact CE1-SD 3.87Å; F380-M613 HydrophobicContact CG-SD 4.36Å; F380-M613 HydrophobicContact CZ-CE 3.69Å; F380-M613 HydrophobicContact CZ-SD 4.48Å |
| 381 | S | 95.4 | Very high | 89.5 | Confident | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -50.9 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | T377 F383 F384 D385 N386 C387 | T377-S381 WeakPolarHBondContact O-CB 3.33Å; T377-S381 PolarHBondContact O-N 3.49Å; S381-F383 VanDerWaalsContact C-N 3.32Å; S381-F383 PolarHBondContact O-N 3.32Å; S381-F384 CarbonylContact O-C 3.5Å; S381-F384 PolarHBondContact O-N 3.22Å; S381-D385 PolarHBondContact O-N 2.86Å; S381-N386 WeakPolarHBondContact O-CA 3.39Å; S381-N386 PolarHBondContact O-N 3.16Å; S381-N386 WeakPolarHBondContact OG-CA 3.33Å; S381-C387 PolarHBondContact O-N 3.38Å; S381-C387 PolarHBondContact OG-N 3.38Å; S381-C387 PolarHBondContact OG-O 3.49Å |
| 382 | S | 95.2 | Very high | 89 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 113.1 | A378 K379 F384 D385 | A378-S382 VanDerWaalsContact O-CB 3.23Å; A378-S382 WeakPolarHBondContact O-CB 3.29Å; A378-S382 PolarHBondContact O-N 2.97Å; K379-S382 PolarHBondContact O-N 3.3Å; S382-F384 VanDerWaalsContact C-N 3.3Å; S382-F384 PolarHBondContact O-N 3.46Å; S382-D385 PolarHBondContact O-N 3.24Å |
| 383 | F | 94.9 | Very high | 88.3 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 178.4 | -175.6 | -93.8 | 0 | 0 | 0 | 112.1 | L353 V354 K357 K379 F380 S381 R611 M613 | L353-F383 HydrophobicContact CB-CE1 4.16Å; V354-F383 HydrophobicContact CG2-CZ 4.27Å; K357-F383 HydrophobicContact CB-CE1 4.22Å; K357-F383 HydrophobicContact CD-CD1 4.37Å; K357-F383 HydrophobicContact CD-CE1 3.87Å; K357-F383 HydrophobicContact CD-CZ 4.03Å; K357-F383 WeakPolarHBondContact CE-O 3.44Å; K357-F383 PolarHBondContact NZ-O 2.96Å; K379-F383 VanDerWaalsContact O-CB 3.27Å; K379-F383 WeakPolarHBondContact O-CB 3.46Å; K379-F383 PolarHBondContact O-N 2.91Å; F380-F383 PolarHBondContact O-N 3.13Å; S381-F383 VanDerWaalsContact C-N 3.32Å; S381-F383 PolarHBondContact O-N 3.32Å; F383-R611 VanDerWaalsContact CE2-O 3.24Å; F383-R611 WeakPolarHBondContact CE2-O 3.31Å; F383-M613 HydrophobicContact CD2-CB 3.9Å; F383-M613 HydrophobicContact CD2-CG 4.5Å; F383-M613 HydrophobicContact CE2-CB 4.2Å; F383-M613 HydrophobicContact CG-CB 4.41Å |
| 384 | F | 96.4 | Very high | 87.5 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 51.6 | 173.7 | -68.7 | -82.3 | 0 | 0 | 0 | 111.7 | V233 L353 K357 L360 L368 L370 F380 S381 S382 N386 C387 | V233-F384 HydrophobicContact CB-CB 4.3Å; V233-F384 HydrophobicContact CG1-CB 3.88Å; V233-F384 HydrophobicContact CG1-CD1 4.26Å; V233-F384 HydrophobicContact CG1-CD2 4.4Å; V233-F384 HydrophobicContact CG1-CG 3.94Å; V233-F384 HydrophobicContact CG2-CB 4.37Å; V233-F384 HydrophobicContact CG2-CD1 4.12Å; V233-F384 HydrophobicContact CG2-CG 4.48Å; L353-F384 HydrophobicContact CB-CZ 4.34Å; L353-F384 HydrophobicContact CD2-CE2 3.87Å; L353-F384 HydrophobicContact CD2-CZ 4.05Å; K357-F384 HydrophobicContact CB-CE1 3.94Å; L360-F384 HydrophobicContact CD1-CD1 4.48Å; L360-F384 HydrophobicContact CD1-CE1 4.25Å; L368-F384 HydrophobicContact CD2-CD1 4.15Å; L368-F384 HydrophobicContact CD2-CE1 3.56Å; L368-F384 HydrophobicContact CD2-CE2 4.22Å; L368-F384 HydrophobicContact CD2-CZ 3.6Å; L370-F384 HydrophobicContact CD1-CD2 3.55Å; L370-F384 HydrophobicContact CD1-CE2 3.51Å; L370-F384 HydrophobicContact CD2-CE2 4.46Å; F380-F384 PolarHBondContact O-N 3.33Å; F380-F384 VanDerWaalsContact O-N 3.09Å; S381-F384 CarbonylContact O-C 3.5Å; S381-F384 PolarHBondContact O-N 3.22Å; S382-F384 VanDerWaalsContact C-N 3.3Å; S382-F384 PolarHBondContact O-N 3.46Å; F384-N386 VanDerWaalsContact C-N 3.33Å; F384-N386 PolarHBondContact O-N 3.37Å; F384-C387 HydrophobicContact CB-CB 4.45Å; F384-C387 WeakPolarHBondContact O-CB 3.44Å; F384-C387 PolarHBondContact O-N 2.99Å |
| 385 | D | 95.1 | Very high | 87 | Confident | 127 Ų | 127 | 52.5 Ų | 52.5 | 68% | 0.679 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 37.8 | 166.9 | -50.3 | -40.5 | 0 | 0 | 0 | 114.8 | K357 S381 S382 | K357-D385 IonicContact NZ-OD1 3.66Å; S381-D385 PolarHBondContact O-N 2.86Å; S382-D385 PolarHBondContact O-N 3.24Å |
| 386 | N | 95.6 | Very high | 86.5 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 66% | 0.663 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 41 | -177.6 | -52.7 | -62.7 | 0 | 0 | 0 | 113.7 | S381 F384 | S381-N386 WeakPolarHBondContact O-CA 3.39Å; S381-N386 PolarHBondContact O-N 3.16Å; S381-N386 WeakPolarHBondContact OG-CA 3.33Å; F384-N386 VanDerWaalsContact C-N 3.33Å; F384-N386 PolarHBondContact O-N 3.37Å |
| 387 | C | 96.5 | Very high | 86.1 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | trans | -59.2 | 154.7 | 176.1 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | V233 S381 F384 | V233-C387 HydrophobicContact CB-CB 3.95Å; V233-C387 HydrophobicContact CG1-CB 4.26Å; V233-C387 WeakPolarHBondContact O-CB 3.38Å; S381-C387 PolarHBondContact O-N 3.38Å; S381-C387 PolarHBondContact OG-N 3.38Å; S381-C387 PolarHBondContact OG-O 3.49Å; F384-C387 HydrophobicContact CB-CB 4.45Å; F384-C387 WeakPolarHBondContact O-CB 3.44Å; F384-C387 PolarHBondContact O-N 2.99Å | ||
| 388 | P | 97.1 | Very high | 85.6 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | -62.3 | 143.3 | -175.9 | 25.7 | -36.8 | 0 | 0 | 0 | 112.7 | H231 V234 V235 | H231-P388 HydrophobicContact CB-CG 4.03Å; H231-P388 VanDerWaalsContact CD2-CD 3.48Å; H231-P388 WeakPolarHBondContact CD2-CD 3.13Å; V234-P388 HydrophobicContact CG2-CG 4.13Å; V235-P388 PolarHBondContact N-O 2.82Å | ||
| 389 | V | 95.7 | Very high | 85.4 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.8 | 176 | -173.1 | 0 | 0 | 0 | 0 | 109 | V235 A237 T377 | V235-V389 HydrophobicContact CB-CB 4.45Å; V235-V389 HydrophobicContact CB-CG1 4.29Å; V235-V389 HydrophobicContact CB-CG2 4.11Å; V235-V389 HydrophobicContact CG1-CG1 4.16Å; V235-V389 CarbonylContact O-C 3.57Å; V235-V389 WeakPolarHBondContact O-CA 3.46Å; A237-V389 HydrophobicContact CB-CG1 4.29Å; T377-V389 HydrophobicContact CG2-CG1 4.32Å |
| 390 | I | 94.9 | Very high | 85.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.2 | 175 | -60.3 | 175.4 | 0 | 0 | 0 | 108.5 | I220 E223 L224 A227 V234 V235 A237 | I220-I390 HydrophobicContact CB-CG2 3.87Å; I220-I390 HydrophobicContact CD1-CG2 3.75Å; I220-I390 HydrophobicContact CG1-CG2 4.42Å; I220-I390 HydrophobicContact CG2-CG2 3.88Å; E223-I390 HydrophobicContact CG-CD1 4.09Å; E223-I390 HydrophobicContact CG-CG1 4.43Å; L224-I390 HydrophobicContact CB-CD1 4.13Å; L224-I390 HydrophobicContact CD1-CD1 4.09Å; A227-I390 HydrophobicContact CB-CD1 3.9Å; V234-I390 HydrophobicContact CG1-CD1 4Å; V234-I390 HydrophobicContact CG1-CG1 4.3Å; V235-I390 PolarHBondContact O-N 3.18Å; A237-I390 PolarHBondContact N-O 3Å |
| 391 | H | 91 | Very high | 85.7 | Confident | 110 Ų | 110 | 64 Ų | 64 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.4 | 179 | -67.2 | -82 | 0 | 0 | 0 | 111 | A237 | A237-H391 CarbonylContact O-C 3.55Å; A237-H391 WeakPolarHBondContact O-CA 3.31Å |
| 392 | T | 84.1 | Confident | 85.8 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.7 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | P216 A237 G238 | P216-T392 PolarHBondContact O-OG1 3.21Å; A237-T392 PolarHBondContact O-N 2.85Å; G238-T392 WeakPolarHBondContact CA-O 3.37Å |
| 393 | S | 73.4 | Confident | 85.8 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 76% | 0.755 | 32% | 0.323 | S | S | * | . | trans | -90.1 | 147.2 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 394 | G | 60.2 | Low | 85.7 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | trans | 140.2 | 122 | 163 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 395 | R | 57.8 | Low | 85.4 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | trans | -96.6 | 153.7 | 150.5 | -68.4 | -175.6 | 179.7 | -160.2 | -3.9 | 108.5 | ||||
| 396 | L | 57 | Low | 85.4 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -80.8 | -33.9 | 174.3 | -68.3 | 169.3 | 0 | 0 | 0 | 111.8 | R558 | L396-R558 WeakPolarHBondContact CD1-O 3.45Š|
| 397 | Y | 66.5 | Low | 85.3 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -146.4 | 152 | -175.3 | -52.6 | -82.6 | 0 | 0 | 0 | 113 | H559 | Y397-H559 WeakPolarHBondContact CE2-O 3.22Š|
| 398 | E | 77.4 | Confident | 85 | Confident | 153 Ų | 153 | 56 Ų | 56 | 72% | 0.715 | 29% | 0.291 | S | S | * | . | trans | -76 | 159 | 174.7 | -74.2 | -64.8 | 156.1 | 0 | 0 | 112.4 | ||||
| 399 | V | 86.6 | Confident | 84.7 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | K553 A556 G562 C564 | V399-K553 HydrophobicContact CB-CG 4.26Å; V399-K553 HydrophobicContact CG1-CD 4.42Å; V399-K553 HydrophobicContact CG1-CG 3.88Å; V399-A556 HydrophobicContact CG1-CB 3.98Å; V399-A556 HydrophobicContact CG2-CB 4.07Å; V399-A556 WeakPolarHBondContact CG2-O 3.35Å; V399-G562 WeakPolarHBondContact CA-O 3.26Å; V399-C564 HydrophobicContact CG1-CB 3.96Å |
| 400 | D | 93.7 | Very high | 84.5 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.6 | 175.2 | -71.5 | -34.6 | 0 | 0 | 0 | 110.9 | Y402 G562 E563 C564 | D400-Y402 HydrophobicContact CB-CE2 4.3Å; D400-G562 PolarHBondContact N-O 3.29Å; D400-E563 HydrophobicContact CB-CG 4.34Å; D400-E563 CarbonylContact O-C 3.54Å; D400-E563 WeakPolarHBondContact O-CA 3.42Å; D400-C564 PolarHBondContact O-N 2.69Å |
| 401 | E | 95.3 | Very high | 84.3 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.1 | -176.3 | -66.8 | 175 | -98.9 | 0 | 0 | 111.8 | F403 K553 C564 H566 | E401-F403 HydrophobicContact CB-CD2 4.46Å; E401-F403 HydrophobicContact CB-CE2 3.75Å; E401-F403 HydrophobicContact CB-CZ 4.48Å; E401-K553 HydrophobicContact CG-CD 3.45Å; E401-K553 VanDerWaalsContact CG-CD 3.45Å; E401-K553 HydrophobicContact CG-CG 4.49Å; E401-K553 IonicContact OE1-NZ 2.68Å; E401-K553 PolarHBondContact OE1-NZ 2.95Å; E401-K553 WeakPolarHBondContact OE2-CD 3.24Å; E401-K553 IonicContact OE2-NZ 3.31Å; E401-K553 PolarHBondContact OE2-NZ 3.42Å; E401-C564 WeakPolarHBondContact CA-O 3.32Å; E401-H566 IonicContact OE2-NE2 3.74Å |
| 402 | Y | 97.1 | Very high | 84 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138 | 173.2 | -53.6 | -74.3 | 0 | 0 | 0 | 109.4 | D400 E406 I410 E563 C564 Y565 H566 | D400-Y402 HydrophobicContact CB-CE2 4.3Å; Y402-E406 WeakPolarHBondContact CD1-OE1 3.3Å; Y402-I410 HydrophobicContact CD1-CD1 3.52Å; Y402-I410 HydrophobicContact CE1-CD1 3.94Å; Y402-I410 HydrophobicContact CG-CD1 3.96Å; Y402-E563 HydrophobicContact CE2-CB 4.22Å; Y402-E563 HydrophobicContact CE2-CG 4.29Å; Y402-C564 PolarHBondContact N-O 3.19Å; Y402-Y565 HydrophobicContact CD2-CD1 4.08Å; Y402-Y565 AromaticContact CD2-CE1 3.73Å; Y402-Y565 HydrophobicContact CD2-CE1 3.73Å; Y402-Y565 HydrophobicContact CD2-CE2 4.27Å; Y402-Y565 AromaticContact CD2-CZ 3.81Å; Y402-Y565 HydrophobicContact CE2-CE1 4.31Å; Y402-Y565 HydrophobicContact CG-CE1 4.32Å; Y402-H566 WeakPolarHBondContact O-CB 3.42Å; Y402-H566 PolarHBondContact O-N 3.3Å |
| 403 | F | 96.3 | Very high | 83.6 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 162.8 | 179.9 | -69.9 | -95.7 | 0 | 0 | 0 | 110.7 | E401 E406 I407 H566 F568 R570 L573 | E401-F403 HydrophobicContact CB-CD2 4.46Å; E401-F403 HydrophobicContact CB-CE2 3.75Å; E401-F403 HydrophobicContact CB-CZ 4.48Å; F403-E406 WeakPolarHBondContact O-CA 3.48Å; F403-E406 WeakPolarHBondContact O-CB 3.45Å; F403-E406 PolarHBondContact O-N 3.44Å; F403-I407 PolarHBondContact O-N 2.89Å; F403-H566 HydrophobicContact CD1-CB 3.57Å; F403-H566 HydrophobicContact CE1-CB 3.74Å; F403-H566 AromaticContact CE1-CD2 3.6Å; F403-H566 AromaticContact CE1-CG 3.66Å; F403-H566 AromaticContact CE2-CD2 3.93Å; F403-H566 HydrophobicContact CG-CB 4.18Å; F403-H566 HydrophobicContact CZ-CB 4.47Å; F403-H566 AromaticContact CZ-CD2 3.47Å; F403-H566 VanDerWaalsContact CZ-CD2 3.47Å; F403-H566 WeakPolarHBondContact CZ-CD2 3.37Å; F403-F568 HydrophobicContact CD1-CD2 4.39Å; F403-F568 HydrophobicContact CD1-CE2 4.3Å; F403-F568 HydrophobicContact CE1-CD2 4.49Å; F403-F568 AromaticContact CE1-CE2 3.98Å; F403-F568 HydrophobicContact CE1-CE2 3.98Å; F403-R570 HydrophobicContact CB-CG 4.17Å; F403-R570 HydrophobicContact CD1-CG 3.98Å; F403-R570 HydrophobicContact CD2-CG 3.94Å; F403-R570 VanDerWaalsContact CD2-CZ 3.47Å; F403-R570 HydrophobicContact CE1-CG 4.38Å; F403-R570 HydrophobicContact CE2-CG 4.33Å; F403-R570 VanDerWaalsContact CE2-CZ 3.48Å; F403-R570 HydrophobicContact CG-CG 3.75Å; F403-L573 HydrophobicContact CE1-CD2 4.01Å; F403-L573 HydrophobicContact CZ-CD2 4.2Å |
| 404 | M | 92.9 | Very high | 83 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.064 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 141.9 | 167.1 | -68.8 | -64.3 | -70.7 | 0 | 0 | 110.7 | I407 A408 L417 F432 H566 F568 S569 | M404-I407 HydrophobicContact SD-CB 3.99Å; M404-A408 HydrophobicContact CE-CB 3.96Å; M404-A408 HydrophobicContact SD-CB 4.42Å; M404-L417 HydrophobicContact CB-CD1 4.3Å; M404-L417 HydrophobicContact CE-CD1 4.05Å; M404-L417 HydrophobicContact CE-CG 4.48Å; M404-F432 HydrophobicContact CE-CE1 4.18Å; M404-F432 HydrophobicContact CE-CZ 3.94Å; M404-F432 HydrophobicContact SD-CE1 3.74Å; M404-F432 HydrophobicContact SD-CZ 3.71Å; M404-H566 PolarHBondContact N-O 3.13Å; M404-F568 PolarHBondContact N-O 2.69Å; M404-S569 WeakPolarHBondContact O-CA 3.29Å |
| 405 | P | 90 | Very high | 83 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.8 | 1.7 | 1.9 | 36.3 | -36.3 | 0 | 0 | 0 | 115.2 | I407 A408 N409 L417 | P405-I407 VanDerWaalsContact C-N 3.28Å; P405-I407 PolarHBondContact O-N 2.89Å; P405-A408 WeakPolarHBondContact O-CB 3.37Å; P405-A408 PolarHBondContact O-N 3.23Å; P405-N409 PolarHBondContact O-N 3.44Å; P405-L417 HydrophobicContact CB-CD1 3.86Å |
| 406 | E | 93.5 | Very high | 82.8 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -53.2 | -43.2 | -178 | -172.5 | -174.4 | -178.7 | 0 | 0 | 112.5 | Y402 F403 A408 N409 I410 | Y402-E406 WeakPolarHBondContact CD1-OE1 3.3Å; F403-E406 WeakPolarHBondContact O-CA 3.48Å; F403-E406 WeakPolarHBondContact O-CB 3.45Å; F403-E406 PolarHBondContact O-N 3.44Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.28Å; E406-N409 WeakPolarHBondContact O-CB 3.11Å; E406-N409 PolarHBondContact O-N 3.32Å; E406-N409 VanDerWaalsContact O-N 3.11Å; E406-I410 HydrophobicContact CG-CD1 4Å; E406-I410 HydrophobicContact CG-CG1 4.48Å; E406-I410 WeakPolarHBondContact O-CG1 3.25Å; E406-I410 PolarHBondContact O-N 3.31Å |
| 407 | I | 93.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 177.1 | -59.9 | 170.8 | 0 | 0 | 0 | 111.3 | F403 M404 P405 N409 I410 I411 F432 V436 Y565 H566 | F403-I407 PolarHBondContact O-N 2.89Å; M404-I407 HydrophobicContact SD-CB 3.99Å; P405-I407 VanDerWaalsContact C-N 3.28Å; P405-I407 PolarHBondContact O-N 2.89Å; I407-N409 VanDerWaalsContact C-N 3.26Å; I407-N409 PolarHBondContact O-N 3.07Å; I407-I410 WeakPolarHBondContact O-CB 3.25Å; I407-I410 PolarHBondContact O-N 2.87Å; I407-I410 VanDerWaalsContact O-N 3.13Å; I407-I411 WeakPolarHBondContact O-CG1 3.4Å; I407-I411 PolarHBondContact O-N 3.11Å; I407-F432 HydrophobicContact CG2-CZ 4.24Å; I407-V436 HydrophobicContact CG2-CG2 3.88Å; I407-Y565 HydrophobicContact CD1-CD1 4.32Å; I407-Y565 HydrophobicContact CG1-CD1 4.12Å; I407-Y565 HydrophobicContact CG2-CD1 4.19Å; I407-H566 WeakPolarHBondContact CD1-O 3.21Å |
| 408 | A | 90.5 | Very high | 82 | Confident | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M404 P405 E406 G412 H413 F432 | M404-A408 HydrophobicContact CE-CB 3.96Å; M404-A408 HydrophobicContact SD-CB 4.42Å; P405-A408 WeakPolarHBondContact O-CB 3.37Å; P405-A408 PolarHBondContact O-N 3.23Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.28Å; A408-G412 PolarHBondContact O-N 3.29Å; A408-G412 VanDerWaalsContact O-N 3.11Å; A408-H413 HydrophobicContact CB-CB 4.4Å; A408-H413 PolarHBondContact O-N 3.21Å; A408-F432 HydrophobicContact CB-CE2 4.39Å; A408-F432 HydrophobicContact CB-CZ 4.3Å |
| 409 | N | 90.8 | Very high | 80.7 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 174.5 | -62 | -27.4 | 0 | 0 | 0 | 111.9 | P405 E406 I407 I411 G412 | P405-N409 PolarHBondContact O-N 3.44Å; E406-N409 WeakPolarHBondContact O-CB 3.11Å; E406-N409 PolarHBondContact O-N 3.32Å; E406-N409 VanDerWaalsContact O-N 3.11Å; I407-N409 VanDerWaalsContact C-N 3.26Å; I407-N409 PolarHBondContact O-N 3.07Å; N409-I411 VanDerWaalsContact C-N 3.33Å; N409-I411 PolarHBondContact O-N 3.2Å; N409-G412 PolarHBondContact O-N 3.23Å |
| 410 | I | 90.9 | Very high | 79.1 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.6 | -71.2 | 167.8 | 0 | 0 | 0 | 111.2 | Y402 E406 I407 W439 | Y402-I410 HydrophobicContact CD1-CD1 3.52Å; Y402-I410 HydrophobicContact CE1-CD1 3.94Å; Y402-I410 HydrophobicContact CG-CD1 3.96Å; E406-I410 HydrophobicContact CG-CD1 4Å; E406-I410 HydrophobicContact CG-CG1 4.48Å; E406-I410 WeakPolarHBondContact O-CG1 3.25Å; E406-I410 PolarHBondContact O-N 3.31Å; I407-I410 WeakPolarHBondContact O-CB 3.25Å; I407-I410 PolarHBondContact O-N 2.87Å; I407-I410 VanDerWaalsContact O-N 3.13Å; I410-W439 HydrophobicContact CG2-CE3 4.48Å; I410-W439 HydrophobicContact CG2-CH2 3.21Å; I410-W439 HydrophobicContact CG2-CZ2 3.31Å; I410-W439 HydrophobicContact CG2-CZ3 3.85Å |
| 411 | I | 92.1 | Very high | 77.2 | Confident | 22 Ų | 22 | 82.1 Ų | 82.1 | 11% | 0.113 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -89 | -1.5 | -177.6 | 70.9 | 162.8 | 0 | 0 | 0 | 113.9 | I407 N409 H413 F432 D435 V436 W439 | I407-I411 WeakPolarHBondContact O-CG1 3.4Å; I407-I411 PolarHBondContact O-N 3.11Å; N409-I411 VanDerWaalsContact C-N 3.33Å; N409-I411 PolarHBondContact O-N 3.2Å; I411-H413 WeakPolarHBondContact CD1-CD2 3.32Å; I411-H413 HydrophobicContact CG1-CB 4.39Å; I411-F432 HydrophobicContact CD1-CD2 4.31Å; I411-F432 HydrophobicContact CD1-CE2 3.66Å; I411-F432 HydrophobicContact CD1-CZ 4.09Å; I411-F432 HydrophobicContact CG1-CE2 4.48Å; I411-D435 HydrophobicContact CD1-CB 4.33Å; I411-V436 HydrophobicContact CD1-CG2 3.99Å; I411-W439 HydrophobicContact CB-CB 4.29Å; I411-W439 HydrophobicContact CB-CD2 4.4Å; I411-W439 HydrophobicContact CB-CG 3.92Å; I411-W439 HydrophobicContact CG2-CB 3.82Å; I411-W439 HydrophobicContact CG2-CD2 3.56Å; I411-W439 HydrophobicContact CG2-CE3 3.96Å; I411-W439 HydrophobicContact CG2-CG 3.46Å; I411-W439 VanDerWaalsContact CG2-CG 3.46Å |
| 412 | G | 85.1 | Confident | 75.1 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 68% | 0.68 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 24.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A408 N409 | A408-G412 PolarHBondContact O-N 3.29Å; A408-G412 VanDerWaalsContact O-N 3.11Å; N409-G412 PolarHBondContact O-N 3.23Å |
| 413 | H | 75.1 | Confident | 73.1 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | trans | -91.6 | 117.4 | 174.4 | -83.3 | -108.4 | 0 | 0 | 0 | 111.6 | A408 I411 R415 F432 D435 | A408-H413 HydrophobicContact CB-CB 4.4Å; A408-H413 PolarHBondContact O-N 3.21Å; I411-H413 WeakPolarHBondContact CD1-CD2 3.32Å; I411-H413 HydrophobicContact CG1-CB 4.39Å; H413-R415 VanDerWaalsContact C-N 3.28Å; H413-R415 PolarHBondContact O-N 3.43Å; H413-F432 HydrophobicContact CB-CE2 4.45Å; H413-D435 IonicContact CE1-OD2 3.25Å; H413-D435 PolarHBondContact CE1-OD2 2.97Å; H413-D435 IonicContact NE2-OD2 2.68Å | ||
| 414 | E | 61.1 | Low | 71.4 | Confident | 208 Ų | 208 | 95.5 Ų | 95.5 | 97% | 0.972 | 50% | 0.503 | S | S | * | . | trans | -73.2 | 78.9 | 166.2 | -73.5 | -171 | 174.1 | 0 | 0 | 110.4 | ||||
| 415 | R | 60.4 | Low | 70.1 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | trans | -109 | 121.8 | 175.9 | -165.2 | 178.6 | -174.8 | 159.6 | 6.8 | 111.6 | H413 D429 | H413-R415 VanDerWaalsContact C-N 3.28Å; H413-R415 PolarHBondContact O-N 3.43Å; R415-D429 IonicContact CZ-OD2 3.61Å; R415-D429 IonicContact NH1-OD2 2.72Å; R415-D429 PolarHBondContact NH1-OD2 2.84Å; R415-D429 IonicContact NH2-OD2 2.84Å; R415-D429 PolarHBondContact NH2-OD2 3.26Å | ||
| 416 | K | 52.6 | Low | 69.6 | Low | 197 Ų | 197 | 97.1 Ų | 97.1 | 86% | 0.857 | 52% | 0.52 | S | S | * | . | trans | -78.5 | 115.8 | 158 | -66.7 | -178.5 | -178.5 | 177.1 | 0 | 106.9 | E418 | K416-E418 PolarHBondContact O-N 3.47Š| ||
| 417 | L | 53.4 | Low | 69.2 | Low | 89 Ų | 89 | 99.3 Ų | 99.3 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | trans | -59.1 | 113.3 | 166.1 | -87 | 111.4 | 0 | 0 | 0 | 107.1 | M404 P405 S419 | M404-L417 HydrophobicContact CB-CD1 4.3Å; M404-L417 HydrophobicContact CE-CD1 4.05Å; M404-L417 HydrophobicContact CE-CG 4.48Å; P405-L417 HydrophobicContact CB-CD1 3.86Å; L417-S419 PolarHBondContact O-N 3.21Å | ||
| 418 | E | 52.7 | Low | 69.1 | Low | 179 Ų | 179 | 100.3 Ų | 100.3 | 84% | 0.836 | 54% | 0.536 | S | S | * | . | trans | -64.5 | 121.5 | 158.5 | -68.2 | -176.3 | 171.6 | 0 | 0 | 105.9 | K416 V420 | K416-E418 PolarHBondContact O-N 3.47Å; E418-V420 PolarHBondContact O-N 3.46Å | ||
| 419 | S | 50.9 | Low | 69.2 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 77% | 0.769 | 55% | 0.548 | S | S | * | . | trans | -58.3 | 111.6 | 170.5 | 53.3 | 0 | 0 | 0 | 0 | 107.4 | L417 K421 | L417-S419 PolarHBondContact O-N 3.21Å; S419-K421 PolarHBondContact O-N 2.95Å | ||
| 420 | V | 52.6 | Low | 69.4 | Low | 78 Ų | 78 | 97.7 Ų | 97.7 | 47% | 0.473 | 52% | 0.523 | S | S | . | . | trans | -54.3 | 125.1 | 169.9 | -176 | 0 | 0 | 0 | 0 | 106.5 | E418 E424 V426 | E418-V420 PolarHBondContact O-N 3.46Å; V420-E424 HydrophobicContact CG1-CB 3.84Å; V420-E424 WeakPolarHBondContact CG1-O 3.42Å; V420-V426 HydrophobicContact CG1-CG2 4.37Å | ||
| 421 | K | 53.1 | Low | 69.5 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | trans | -58.8 | 147.5 | 175.7 | -67 | -174.3 | -160.6 | 123 | 0 | 108.5 | S419 D423 E424 | S419-K421 PolarHBondContact O-N 2.95Å; K421-D423 PolarHBondContact O-N 3.47Å; K421-E424 HydrophobicContact CB-CB 4.34Å; K421-E424 HydrophobicContact CB-CG 4.08Å; K421-E424 WeakPolarHBondContact CD-OE1 3.43Å; K421-E424 IonicContact NZ-OE1 2.92Å; K421-E424 PolarHBondContact NZ-OE1 2.96Å; K421-E424 PolarHBondContact O-N 3.5Å | ||
| 422 | P | 53.1 | Low | 69.6 | Low | 134 Ų | 134 | 98 Ų | 98 | 87% | 0.87 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -27.9 | -179.8 | -26.2 | 32.6 | 0 | 0 | 0 | 114.5 | ||
| 423 | D | 54.2 | Low | 70.2 | Confident | 160 Ų | 160 | 94.9 Ų | 94.9 | 86% | 0.856 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 0.3 | -176 | -54.3 | -37.8 | 0 | 0 | 0 | 114.4 | K421 | K421-D423 PolarHBondContact O-N 3.47Š|
| 424 | E | 60.9 | Low | 71.2 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 46% | 0.458 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -88.7 | 133.3 | 177.7 | -80.4 | 172.4 | -170.1 | 0 | 0 | 110.9 | V420 K421 V426 | V420-E424 HydrophobicContact CG1-CB 3.84Å; V420-E424 WeakPolarHBondContact CG1-O 3.42Å; K421-E424 HydrophobicContact CB-CB 4.34Å; K421-E424 HydrophobicContact CB-CG 4.08Å; K421-E424 WeakPolarHBondContact CD-OE1 3.43Å; K421-E424 IonicContact NZ-OE1 2.92Å; K421-E424 PolarHBondContact NZ-OE1 2.96Å; K421-E424 PolarHBondContact O-N 3.5Å; E424-V426 PolarHBondContact O-N 2.87Å |
| 425 | A | 66 | Low | 72.8 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | trans | -64.2 | 123.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E427 | A425-E427 PolarHBondContact O-N 2.7Š| ||
| 426 | V | 78 | Confident | 74.6 | Confident | 35 Ų | 35 | 79.2 Ų | 79.2 | 21% | 0.212 | 43% | 0.432 | C | S | . | . | trans | -69.5 | 114.7 | 177 | -170 | 0 | 0 | 0 | 0 | 108.9 | V420 E424 L524 Q541 W543 | V420-V426 HydrophobicContact CG1-CG2 4.37Å; E424-V426 PolarHBondContact O-N 2.87Å; V426-L524 HydrophobicContact CB-CD2 3.92Å; V426-L524 HydrophobicContact CG1-CD1 4.02Å; V426-L524 HydrophobicContact CG1-CD2 3.85Å; V426-L524 HydrophobicContact CG1-CG 4.44Å; V426-Q541 PolarHBondContact O-NE2 2.7Å; V426-W543 HydrophobicContact CB-CZ2 4.37Å; V426-W543 HydrophobicContact CG1-CH2 3.96Å; V426-W543 HydrophobicContact CG1-CZ2 3.73Å; V426-W543 HydrophobicContact CG2-CZ2 3.95Å | ||
| 427 | E | 85.7 | Confident | 76.7 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | trans | -101.4 | 157.1 | 177.4 | -68.2 | -173.1 | 178.4 | 0 | 0 | 111.2 | A425 K863 | A425-E427 PolarHBondContact O-N 2.7Å; E427-K863 IonicContact OE1-NZ 3.5Å; E427-K863 PolarHBondContact OE1-NZ 3.43Å; E427-K863 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 428 | V | 91.4 | Very high | 78.8 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | trans | -78.2 | 127.1 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | V430 V433 L453 P454 D458 T522 L524 | V428-V430 VanDerWaalsContact C-N 3.33Å; V428-V430 HydrophobicContact CB-CG2 4.47Å; V428-V430 HydrophobicContact CG1-CG2 4.08Å; V428-V430 PolarHBondContact O-N 3.4Å; V428-V433 HydrophobicContact CG1-CG2 3.93Å; V428-L453 HydrophobicContact CG1-CD2 3.99Å; V428-P454 HydrophobicContact CG2-CG 3.37Å; V428-D458 HydrophobicContact CG2-CB 4.4Å; V428-T522 HydrophobicContact CG1-CG2 3.98Å; V428-T522 HydrophobicContact CG2-CG2 4.46Å; V428-L524 HydrophobicContact CG2-CD1 3.91Å | ||
| 429 | D | 92 | Very high | 80.8 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -78.8 | 86.8 | 166.8 | -165.7 | -39.8 | 0 | 0 | 0 | 110.2 | R415 P431 F432 V433 | R415-D429 IonicContact CZ-OD2 3.61Å; R415-D429 IonicContact NH1-OD2 2.72Å; R415-D429 PolarHBondContact NH1-OD2 2.84Å; R415-D429 IonicContact NH2-OD2 2.84Å; R415-D429 PolarHBondContact NH2-OD2 3.26Å; D429-P431 VanDerWaalsContact OD1-CD 3.29Å; D429-P431 WeakPolarHBondContact OD1-CD 3.5Å; D429-F432 HydrophobicContact CB-CB 3.9Å; D429-F432 VanDerWaalsContact CG-CB 3.45Å; D429-F432 PolarHBondContact O-N 3.18Å; D429-F432 VanDerWaalsContact OD1-CB 3.31Å; D429-F432 WeakPolarHBondContact OD1-CB 3.49Å; D429-F432 PolarHBondContact OD1-N 2.81Å; D429-V433 VanDerWaalsContact O-CG2 3.24Å; D429-V433 WeakPolarHBondContact O-CG2 3.35Å; D429-V433 PolarHBondContact O-N 3.14Å | ||
| 430 | V | 94.9 | Very high | 83.1 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | -177.5 | 166.9 | 0 | 0 | 0 | 0 | 112.6 | V428 F432 V433 A434 N461 A465 | V428-V430 VanDerWaalsContact C-N 3.33Å; V428-V430 HydrophobicContact CB-CG2 4.47Å; V428-V430 HydrophobicContact CG1-CG2 4.08Å; V428-V430 PolarHBondContact O-N 3.4Å; V430-F432 VanDerWaalsContact C-N 3.35Å; V430-F432 PolarHBondContact O-N 3.34Å; V430-V433 PolarHBondContact O-N 3.3Å; V430-A434 PolarHBondContact O-N 3.37Å; V430-N461 VanDerWaalsContact CG1-C 3.47Å; V430-N461 HydrophobicContact CG1-CB 3.93Å; V430-N461 WeakPolarHBondContact CG1-O 3.45Å; V430-N461 HydrophobicContact CG2-CB 3.96Å; V430-A465 HydrophobicContact CG1-CB 3.8Å |
| 431 | P | 93.9 | Very high | 85.1 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.2 | -48.7 | 174.7 | -27.5 | 35.1 | 0 | 0 | 0 | 112.7 | D429 V433 A434 D435 | D429-P431 VanDerWaalsContact OD1-CD 3.29Å; D429-P431 WeakPolarHBondContact OD1-CD 3.5Å; P431-V433 PolarHBondContact O-N 3.41Å; P431-A434 WeakPolarHBondContact O-CB 3.39Å; P431-A434 PolarHBondContact O-N 3.04Å; P431-A434 VanDerWaalsContact O-N 3.1Å; P431-D435 VanDerWaalsContact O-CG 3.27Å; P431-D435 PolarHBondContact O-N 3.36Å |
| 432 | F | 94.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | -179 | -173.9 | -102.9 | 0 | 0 | 0 | 112.9 | M404 I407 A408 I411 H413 D429 V430 A434 D435 V436 I567 | M404-F432 HydrophobicContact CE-CE1 4.18Å; M404-F432 HydrophobicContact CE-CZ 3.94Å; M404-F432 HydrophobicContact SD-CE1 3.74Å; M404-F432 HydrophobicContact SD-CZ 3.71Å; I407-F432 HydrophobicContact CG2-CZ 4.24Å; A408-F432 HydrophobicContact CB-CE2 4.39Å; A408-F432 HydrophobicContact CB-CZ 4.3Å; I411-F432 HydrophobicContact CD1-CD2 4.31Å; I411-F432 HydrophobicContact CD1-CE2 3.66Å; I411-F432 HydrophobicContact CD1-CZ 4.09Å; I411-F432 HydrophobicContact CG1-CE2 4.48Å; H413-F432 HydrophobicContact CB-CE2 4.45Å; D429-F432 HydrophobicContact CB-CB 3.9Å; D429-F432 VanDerWaalsContact CG-CB 3.45Å; D429-F432 PolarHBondContact O-N 3.18Å; D429-F432 VanDerWaalsContact OD1-CB 3.31Å; D429-F432 WeakPolarHBondContact OD1-CB 3.49Å; D429-F432 PolarHBondContact OD1-N 2.81Å; V430-F432 VanDerWaalsContact C-N 3.35Å; V430-F432 PolarHBondContact O-N 3.34Å; F432-A434 VanDerWaalsContact C-N 3.32Å; F432-A434 PolarHBondContact O-N 3.43Å; F432-D435 PolarHBondContact O-N 2.85Å; F432-V436 HydrophobicContact CD1-CG2 4.2Å; F432-V436 HydrophobicContact CE1-CG2 3.83Å; F432-V436 HydrophobicContact CZ-CG2 4.08Å; F432-V436 WeakPolarHBondContact O-CG2 3.39Å; F432-V436 PolarHBondContact O-N 3.39Å; F432-I567 HydrophobicContact CD1-CD1 4.49Å; F432-I567 HydrophobicContact CD1-CG2 3.74Å; F432-I567 HydrophobicContact CE1-CG1 4.48Å; F432-I567 HydrophobicContact CE1-CG2 3.84Å |
| 433 | V | 97.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 173.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | V428 D429 V430 P431 D435 V436 I437 L453 T462 V520 T522 I567 | V428-V433 HydrophobicContact CG1-CG2 3.93Å; D429-V433 VanDerWaalsContact O-CG2 3.24Å; D429-V433 WeakPolarHBondContact O-CG2 3.35Å; D429-V433 PolarHBondContact O-N 3.14Å; V430-V433 PolarHBondContact O-N 3.3Å; P431-V433 PolarHBondContact O-N 3.41Å; V433-D435 VanDerWaalsContact C-N 3.35Å; V433-V436 PolarHBondContact O-N 3.5Å; V433-I437 HydrophobicContact CG1-CD1 3.98Å; V433-I437 WeakPolarHBondContact O-CG1 3.31Å; V433-I437 PolarHBondContact O-N 2.99Å; V433-L453 HydrophobicContact CG1-CD2 4.42Å; V433-T462 HydrophobicContact CB-CG2 4.49Å; V433-T462 HydrophobicContact CG1-CG2 3.73Å; V433-V520 HydrophobicContact CG1-CG1 4.35Å; V433-T522 HydrophobicContact CG2-CG2 3.83Å; V433-I567 HydrophobicContact CB-CD1 4.3Å; V433-I567 HydrophobicContact CG2-CD1 3.52Å |
| 434 | A | 96.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V430 P431 F432 I437 S438 A465 I466 | V430-A434 PolarHBondContact O-N 3.37Å; P431-A434 WeakPolarHBondContact O-CB 3.39Å; P431-A434 PolarHBondContact O-N 3.04Å; P431-A434 VanDerWaalsContact O-N 3.1Å; F432-A434 VanDerWaalsContact C-N 3.32Å; F432-A434 PolarHBondContact O-N 3.43Å; A434-I437 PolarHBondContact O-N 2.85Å; A434-S438 WeakPolarHBondContact O-CB 3.45Å; A434-S438 PolarHBondContact O-N 3.19Å; A434-S438 PolarHBondContact O-OG 3.19Å; A434-A465 HydrophobicContact CB-CB 3.81Å; A434-I466 HydrophobicContact CB-CG1 3.89Å |
| 435 | D | 95.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 44 Ų | 44 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.2 | -65.2 | -28.1 | 0 | 0 | 0 | 111.4 | I411 H413 P431 F432 V433 I437 S438 W439 | I411-D435 HydrophobicContact CD1-CB 4.33Å; H413-D435 IonicContact CE1-OD2 3.25Å; H413-D435 PolarHBondContact CE1-OD2 2.97Å; H413-D435 IonicContact NE2-OD2 2.68Å; P431-D435 VanDerWaalsContact O-CG 3.27Å; P431-D435 PolarHBondContact O-N 3.36Å; F432-D435 PolarHBondContact O-N 2.85Å; V433-D435 VanDerWaalsContact C-N 3.35Å; D435-I437 PolarHBondContact O-N 2.8Å; D435-S438 PolarHBondContact O-N 2.81Å; D435-W439 WeakPolarHBondContact O-CB 3.48Å; D435-W439 PolarHBondContact O-N 2.9Å |
| 436 | V | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I407 I411 F432 V433 S438 W439 I440 V520 Y565 | I407-V436 HydrophobicContact CG2-CG2 3.88Å; I411-V436 HydrophobicContact CD1-CG2 3.99Å; F432-V436 HydrophobicContact CD1-CG2 4.2Å; F432-V436 HydrophobicContact CE1-CG2 3.83Å; F432-V436 HydrophobicContact CZ-CG2 4.08Å; F432-V436 WeakPolarHBondContact O-CG2 3.39Å; F432-V436 PolarHBondContact O-N 3.39Å; V433-V436 PolarHBondContact O-N 3.5Å; V436-S438 VanDerWaalsContact C-N 3.35Å; V436-S438 PolarHBondContact O-N 3.14Å; V436-W439 PolarHBondContact O-N 3.47Å; V436-I440 HydrophobicContact CG1-CD1 3.94Å; V436-I440 VanDerWaalsContact O-CG1 3.3Å; V436-I440 WeakPolarHBondContact O-CG1 3.47Å; V436-I440 PolarHBondContact O-N 3.41Å; V436-V520 HydrophobicContact CG1-CG1 4.22Å; V436-V520 HydrophobicContact CG1-CG2 4Å; V436-Y565 HydrophobicContact CG1-CD1 4.43Å; V436-Y565 HydrophobicContact CG1-CG 4.43Å |
| 437 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 178.1 | -70.5 | 168.4 | 0 | 0 | 0 | 110.8 | V433 A434 D435 W439 I440 H441 I449 C451 T462 I466 V500 L502 V520 | V433-I437 HydrophobicContact CG1-CD1 3.98Å; V433-I437 WeakPolarHBondContact O-CG1 3.31Å; V433-I437 PolarHBondContact O-N 2.99Å; A434-I437 PolarHBondContact O-N 2.85Å; D435-I437 PolarHBondContact O-N 2.8Å; I437-W439 VanDerWaalsContact C-N 3.34Å; I437-W439 PolarHBondContact O-N 3.1Å; I437-I440 PolarHBondContact O-N 2.93Å; I437-H441 WeakPolarHBondContact O-CB 3.21Å; I437-H441 PolarHBondContact O-N 3.21Å; I437-I449 HydrophobicContact CG2-CD1 4.17Å; I437-C451 HydrophobicContact CD1-CB 4.11Å; I437-T462 HydrophobicContact CD1-CG2 4.24Å; I437-I466 HydrophobicContact CD1-CD1 3.8Å; I437-I466 HydrophobicContact CG2-CD1 4.12Å; I437-I466 HydrophobicContact CG2-CG1 4.5Å; I437-V500 HydrophobicContact CD1-CG1 4.3Å; I437-V500 HydrophobicContact CG2-CG1 4.16Å; I437-V500 HydrophobicContact CG2-CG2 4.07Å; I437-L502 HydrophobicContact CD1-CD2 4.01Å; I437-V520 HydrophobicContact CG1-CG2 4.12Å |
| 438 | S | 96.2 | Very high | 95 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | A434 D435 V436 H441 S442 | A434-S438 WeakPolarHBondContact O-CB 3.45Å; A434-S438 PolarHBondContact O-N 3.19Å; A434-S438 PolarHBondContact O-OG 3.19Å; D435-S438 PolarHBondContact O-N 2.81Å; V436-S438 VanDerWaalsContact C-N 3.35Å; V436-S438 PolarHBondContact O-N 3.14Å; S438-H441 PolarHBondContact O-N 3.14Å; S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 2.86Å; S438-S442 PolarHBondContact O-OG 3.41Å |
| 439 | W | 96.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 20% | 0.197 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 175.5 | -177.5 | 94.5 | 0 | 0 | 0 | 112 | I410 I411 D435 V436 I437 H441 S442 N443 K444 Y565 | I410-W439 HydrophobicContact CG2-CE3 4.48Å; I410-W439 HydrophobicContact CG2-CH2 3.21Å; I410-W439 HydrophobicContact CG2-CZ2 3.31Å; I410-W439 HydrophobicContact CG2-CZ3 3.85Å; I411-W439 HydrophobicContact CB-CB 4.29Å; I411-W439 HydrophobicContact CB-CD2 4.4Å; I411-W439 HydrophobicContact CB-CG 3.92Å; I411-W439 HydrophobicContact CG2-CB 3.82Å; I411-W439 HydrophobicContact CG2-CD2 3.56Å; I411-W439 HydrophobicContact CG2-CE3 3.96Å; I411-W439 HydrophobicContact CG2-CG 3.46Å; I411-W439 VanDerWaalsContact CG2-CG 3.46Å; D435-W439 WeakPolarHBondContact O-CB 3.48Å; D435-W439 PolarHBondContact O-N 2.9Å; V436-W439 PolarHBondContact O-N 3.47Å; I437-W439 VanDerWaalsContact C-N 3.34Å; I437-W439 PolarHBondContact O-N 3.1Å; W439-H441 VanDerWaalsContact C-N 3.34Å; W439-H441 PolarHBondContact O-N 3.41Å; W439-S442 PolarHBondContact O-N 3.35Å; W439-N443 VanDerWaalsContact CD1-ND2 3.32Å; W439-N443 HydrophobicContact CD2-CB 4.26Å; W439-N443 HydrophobicContact CZ2-CB 4.11Å; W439-N443 PolarHBondContact NE1-ND2 3.17Å; W439-N443 WeakPolarHBondContact O-CB 3.37Å; W439-N443 PolarHBondContact O-N 3.12Å; W439-N443 PolarHBondContact O-ND2 3.32Å; W439-K444 VanDerWaalsContact CH2-CE 3.45Å; W439-K444 HydrophobicContact CZ3-CD 4.41Å; W439-K444 VanDerWaalsContact CZ3-CE 3.47Å; W439-K444 HydrophobicContact CZ3-CG 4.11Å; W439-Y565 HydrophobicContact CZ3-CE1 4.18Å |
| 440 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.1 | -67.5 | 167.2 | 0 | 0 | 0 | 110 | V436 I437 S442 N443 K444 I449 Y518 V520 Y565 | V436-I440 HydrophobicContact CG1-CD1 3.94Å; V436-I440 VanDerWaalsContact O-CG1 3.3Å; V436-I440 WeakPolarHBondContact O-CG1 3.47Å; V436-I440 PolarHBondContact O-N 3.41Å; I437-I440 PolarHBondContact O-N 2.93Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 3.4Å; I440-N443 PolarHBondContact O-N 3.5Å; I440-K444 HydrophobicContact CG2-CB 4.15Å; I440-K444 HydrophobicContact CG2-CG 4.19Å; I440-K444 VanDerWaalsContact O-CB 3.29Å; I440-K444 WeakPolarHBondContact O-CB 3.45Å; I440-K444 PolarHBondContact O-N 2.92Å; I440-I449 HydrophobicContact CB-CD1 3.99Å; I440-I449 HydrophobicContact CG2-CD1 3.63Å; I440-I449 HydrophobicContact CG2-CG1 4.03Å; I440-Y518 HydrophobicContact CG2-CD1 3.9Å; I440-Y518 HydrophobicContact CG2-CD2 3.8Å; I440-Y518 HydrophobicContact CG2-CE1 4.44Å; I440-Y518 HydrophobicContact CG2-CE2 4.34Å; I440-Y518 HydrophobicContact CG2-CG 3.58Å; I440-V520 HydrophobicContact CD1-CG2 3.68Å; I440-Y565 HydrophobicContact CD1-CD2 3.69Å; I440-Y565 HydrophobicContact CD1-CE2 3.72Å; I440-Y565 HydrophobicContact CD1-CG 4.21Å; I440-Y565 HydrophobicContact CG1-CD2 4.5Å; I440-Y565 HydrophobicContact CG1-CE2 4.08Å |
| 441 | H | 96.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.7 | -41.6 | 178.5 | 175.6 | 59.7 | 0 | 0 | 0 | 112.2 | I437 S438 W439 L472 | I437-H441 WeakPolarHBondContact O-CB 3.21Å; I437-H441 PolarHBondContact O-N 3.21Å; S438-H441 PolarHBondContact O-N 3.14Å; W439-H441 VanDerWaalsContact C-N 3.34Å; W439-H441 PolarHBondContact O-N 3.41Å; H441-L472 HydrophobicContact CB-CD1 4.32Å |
| 442 | S | 94.7 | Very high | 95.8 | Very high | 91 Ų | 91 | 31 Ų | 31 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -81.9 | -30.3 | -175.6 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | S438 W439 I440 | S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 2.86Å; S438-S442 PolarHBondContact O-OG 3.41Å; W439-S442 PolarHBondContact O-N 3.35Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 3.4Å |
| 443 | N | 95.9 | Very high | 96 | Very high | 98 Ų | 98 | 30.9 Ų | 30.9 | 52% | 0.524 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -115.6 | -13.5 | -166.6 | -64.2 | -86.4 | 0 | 0 | 0 | 114.5 | W439 I440 | W439-N443 VanDerWaalsContact CD1-ND2 3.32Å; W439-N443 HydrophobicContact CD2-CB 4.26Å; W439-N443 HydrophobicContact CZ2-CB 4.11Å; W439-N443 PolarHBondContact NE1-ND2 3.17Å; W439-N443 WeakPolarHBondContact O-CB 3.37Å; W439-N443 PolarHBondContact O-N 3.12Å; W439-N443 PolarHBondContact O-ND2 3.32Å; I440-N443 PolarHBondContact O-N 3.5Å |
| 444 | K | 95.3 | Very high | 95.8 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -108.1 | 151.1 | -175 | -65.3 | -72.5 | -178.2 | 155.4 | 0 | 112.3 | W439 I440 R498 Y518 E563 Y565 | W439-K444 VanDerWaalsContact CH2-CE 3.45Å; W439-K444 HydrophobicContact CZ3-CD 4.41Å; W439-K444 VanDerWaalsContact CZ3-CE 3.47Å; W439-K444 HydrophobicContact CZ3-CG 4.11Å; I440-K444 HydrophobicContact CG2-CB 4.15Å; I440-K444 HydrophobicContact CG2-CG 4.19Å; I440-K444 VanDerWaalsContact O-CB 3.29Å; I440-K444 WeakPolarHBondContact O-CB 3.45Å; I440-K444 PolarHBondContact O-N 2.92Å; K444-R498 PolarHBondContact O-NH2 3.06Å; K444-Y518 HydrophobicContact CB-CE1 3.75Å; K444-Y518 HydrophobicContact CB-CE2 4.23Å; K444-Y518 HydrophobicContact CD-CE1 4.15Å; K444-Y518 HydrophobicContact CG-CE1 3.95Å; K444-E563 VanDerWaalsContact CE-OE2 3.23Å; K444-E563 WeakPolarHBondContact CE-OE2 3.42Å; K444-E563 IonicContact NZ-OE1 2.65Å; K444-E563 PolarHBondContact NZ-OE1 3.18Å; K444-E563 IonicContact NZ-OE2 2.67Å; K444-E563 PolarHBondContact NZ-OE2 2.59Å; K444-Y565 WeakPolarHBondContact CE-OH 3.31Å; K444-Y565 PolarHBondContact NZ-OH 3.05Å |
| 445 | P | 92.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 42% | 0.422 | 19% | 0.187 | S | C | . | . | trans | -56 | 170.8 | 175.9 | -25.7 | 33.8 | 0 | 0 | 0 | 114.3 | R498 Y518 | P445-R498 PolarHBondContact O-NH1 3.4Å; P445-R498 PolarHBondContact O-NH2 3.44Å; P445-Y518 WeakPolarHBondContact CD-OH 3.3Å; P445-Y518 WeakPolarHBondContact O-CE2 3.28Å; P445-Y518 PolarHBondContact O-OH 2.8Å | ||
| 446 | P | 91 | Very high | 95.1 | Very high | 113 Ų | 113 | 31 Ų | 31 | 73% | 0.734 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -53.4 | 142.8 | 175.9 | -26.5 | 35.1 | 0 | 0 | 0 | 113.2 | R517 | P446-R517 WeakPolarHBondContact O-CD 3.3Å; P446-R517 PolarHBondContact O-NH1 3.41Å |
| 447 | G | 92.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | trans | 149.3 | 142.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R498 | G447-R498 WeakPolarHBondContact O-CD 3.39Å; G447-R498 WeakPolarHBondContact O-CG 3.3Å; G447-R498 PolarHBondContact O-NH1 3.39Å | ||
| 448 | D | 95.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 156 | -175.7 | -68.3 | -22.1 | 0 | 0 | 0 | 111.6 | K499 N515 I516 R517 Y518 | D448-K499 WeakPolarHBondContact CA-O 3.38Å; D448-K499 HydrophobicContact CB-CB 4.26Å; D448-K499 WeakPolarHBondContact CB-O 3.41Å; D448-K499 WeakPolarHBondContact OD1-CB 3.49Å; D448-K499 PolarHBondContact OD1-N 2.75Å; D448-K499 WeakPolarHBondContact OD2-CE 3.46Å; D448-K499 IonicContact OD2-NZ 3.91Å; D448-N515 PolarHBondContact N-O 3.34Å; D448-I516 HydrophobicContact CB-CD1 3.81Å; D448-R517 PolarHBondContact O-N 3.37Å; D448-Y518 PolarHBondContact O-N 3.18Å; D448-Y518 VanDerWaalsContact O-N 3.13Å |
| 449 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.1 | -177.6 | -52.6 | 175.9 | 0 | 0 | 0 | 109.4 | I437 I440 K499 V500 V501 Y518 V520 | I437-I449 HydrophobicContact CG2-CD1 4.17Å; I440-I449 HydrophobicContact CB-CD1 3.99Å; I440-I449 HydrophobicContact CG2-CD1 3.63Å; I440-I449 HydrophobicContact CG2-CG1 4.03Å; I449-K499 PolarHBondContact N-O 2.88Å; I449-V500 HydrophobicContact CB-CG1 4.28Å; I449-V500 HydrophobicContact CB-CG2 4.17Å; I449-V500 HydrophobicContact CD1-CG2 4.12Å; I449-V500 HydrophobicContact CG1-CG2 4.45Å; I449-V500 HydrophobicContact CG2-CG1 4.41Å; I449-V500 CarbonylContact O-C 3.36Å; I449-V500 WeakPolarHBondContact O-CA 3.36Å; I449-V501 PolarHBondContact O-N 3.24Å; I449-Y518 CarbonylContact C-O 3.47Å; I449-Y518 VanDerWaalsContact CA-O 3.31Å; I449-Y518 WeakPolarHBondContact CA-O 3.36Å; I449-Y518 HydrophobicContact CG1-CD2 4.35Å; I449-V520 HydrophobicContact CG2-CG2 3.95Å |
| 450 | L | 97 | Very high | 94 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.1 | 168.7 | 177.8 | 62.8 | 0 | 0 | 0 | 109.7 | F452 V501 A503 A507 I516 Y518 V519 V520 R555 | L450-F452 HydrophobicContact CD2-CE2 3.69Å; L450-F452 HydrophobicContact CD2-CZ 3.64Å; L450-F452 HydrophobicContact CG-CE2 3.99Å; L450-F452 HydrophobicContact CG-CZ 4.19Å; L450-V501 HydrophobicContact CD1-CB 3.86Å; L450-V501 HydrophobicContact CD1-CG1 3.84Å; L450-A503 HydrophobicContact CD1-CB 3.87Å; L450-A507 HydrophobicContact CD1-CB 3.92Å; L450-A507 HydrophobicContact CD2-CB 4.19Å; L450-I516 HydrophobicContact CB-CD1 3.87Å; L450-I516 HydrophobicContact CB-CG1 4.29Å; L450-I516 HydrophobicContact CB-CG2 3.9Å; L450-Y518 PolarHBondContact N-O 2.98Å; L450-V519 HydrophobicContact CB-CG2 4.48Å; L450-V519 CarbonylContact O-C 3.56Å; L450-V519 VanDerWaalsContact O-CA 3.29Å; L450-V519 WeakPolarHBondContact O-CA 3.48Å; L450-V520 PolarHBondContact O-N 3.25Å; L450-R555 HydrophobicContact CD2-CB 3.67Å; L450-R555 HydrophobicContact CD2-CG 3.76Å |
| 451 | C | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.7 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | I437 V501 L502 A503 V520 | I437-C451 HydrophobicContact CD1-CB 4.11Å; C451-V501 PolarHBondContact N-O 2.95Å; C451-L502 HydrophobicContact CB-CD2 3.61Å; C451-A503 PolarHBondContact O-N 3.17Å; C451-V520 CarbonylContact C-O 3.59Å; C451-V520 VanDerWaalsContact CA-O 3.23Å; C451-V520 WeakPolarHBondContact CA-O 3.26Å; C451-V520 HydrophobicContact CB-CB 4.16Å |
| 452 | F | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.7 | 176 | -72.8 | -78.3 | 0 | 0 | 0 | 112 | L450 A503 T504 A507 E508 V519 V520 T522 R552 R555 | L450-F452 HydrophobicContact CD2-CE2 3.69Å; L450-F452 HydrophobicContact CD2-CZ 3.64Å; L450-F452 HydrophobicContact CG-CE2 3.99Å; L450-F452 HydrophobicContact CG-CZ 4.19Å; F452-A503 CarbonylContact C-O 3.57Å; F452-A503 WeakPolarHBondContact CA-O 3.35Å; F452-T504 WeakPolarHBondContact CD1-O 3.43Å; F452-A507 HydrophobicContact CE1-CB 3.98Å; F452-A507 HydrophobicContact CZ-CB 4.29Å; F452-E508 HydrophobicContact CE1-CB 4.22Å; F452-V519 HydrophobicContact CD2-CG1 3.92Å; F452-V519 HydrophobicContact CE2-CG1 3.97Å; F452-V520 PolarHBondContact N-O 3.49Å; F452-T522 WeakPolarHBondContact O-CG2 3.48Å; F452-T522 PolarHBondContact O-N 3.37Å; F452-T522 PolarHBondContact O-OG1 2.77Å; F452-R552 HydrophobicContact CD1-CG 3.99Å; F452-R552 HydrophobicContact CD2-CB 3.75Å; F452-R552 HydrophobicContact CD2-CG 3.74Å; F452-R552 HydrophobicContact CE1-CG 3.89Å; F452-R552 HydrophobicContact CE2-CB 3.52Å; F452-R552 HydrophobicContact CE2-CG 3.63Å; F452-R552 HydrophobicContact CG-CB 4.41Å; F452-R552 HydrophobicContact CG-CG 3.91Å; F452-R552 HydrophobicContact CZ-CB 4.02Å; F452-R552 HydrophobicContact CZ-CG 3.71Å; F452-R555 HydrophobicContact CE2-CG 4.26Å; F452-R555 HydrophobicContact CZ-CG 4Å |
| 453 | L | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -125.1 | 147.2 | -178.4 | -67.6 | 167 | 0 | 0 | 0 | 110.4 | V428 V433 D458 I459 T462 L502 A503 T504 T522 | V428-L453 HydrophobicContact CG1-CD2 3.99Å; V433-L453 HydrophobicContact CG1-CD2 4.42Å; L453-D458 HydrophobicContact CB-CB 4.05Å; L453-D458 HydrophobicContact CD2-CB 4.21Å; L453-I459 HydrophobicContact CB-CG1 4.03Å; L453-I459 HydrophobicContact CD1-CB 4.38Å; L453-I459 HydrophobicContact CD1-CG1 3.9Å; L453-T462 HydrophobicContact CD1-CG2 4.16Å; L453-L502 HydrophobicContact CD1-CB 4.23Å; L453-L502 HydrophobicContact CD1-CD2 4.37Å; L453-A503 PolarHBondContact N-O 3.49Å; L453-T504 VanDerWaalsContact O-CA 3.3Å; L453-T504 WeakPolarHBondContact O-CA 3.48Å; L453-T504 WeakPolarHBondContact O-CG2 3.08Å; L453-T522 HydrophobicContact CD2-CG2 3.85Å | ||
| 454 | P | 94.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -75.4 | -27.2 | -171.8 | 24.1 | -27.5 | 0 | 0 | 0 | 114 | V428 D458 L524 K526 Q541 | V428-P454 HydrophobicContact CG2-CG 3.37Å; P454-D458 HydrophobicContact CG-CB 4.41Å; P454-D458 WeakPolarHBondContact CG-OD2 3.43Å; P454-L524 HydrophobicContact CB-CB 3.95Å; P454-L524 HydrophobicContact CG-CB 3.98Å; P454-K526 HydrophobicContact CB-CB 4.44Å; P454-K526 WeakPolarHBondContact O-CB 3.48Å; P454-K526 PolarHBondContact O-N 3.07Å; P454-Q541 HydrophobicContact CB-CG 4.43Å |
| 455 | S | 90.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -150.5 | 169.5 | -178.1 | 85.2 | 0 | 0 | 0 | 0 | 114.6 | N457 D458 I459 | S455-N457 VanDerWaalsContact C-N 3.25Å; S455-N457 PolarHBondContact O-N 2.9Å; S455-N457 PolarHBondContact OG-N 3.34Å; S455-D458 WeakPolarHBondContact CA-OD2 3.37Å; S455-D458 VanDerWaalsContact CB-OD2 3.25Å; S455-D458 WeakPolarHBondContact CB-OD2 3.41Å; S455-D458 PolarHBondContact N-OD2 2.84Å; S455-D458 WeakPolarHBondContact O-CB 3.25Å; S455-D458 PolarHBondContact O-N 3.38Å; S455-D458 VanDerWaalsContact O-N 3.1Å; S455-D458 PolarHBondContact OG-OD2 3.12Å; S455-I459 PolarHBondContact O-N 3.05Å |
| 456 | W | 86.7 | Confident | 93.6 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55 | -36.8 | 173.9 | -179.5 | -100.6 | 0 | 0 | 0 | 114.1 | D458 I459 S460 P476 H478 L481 | W456-D458 VanDerWaalsContact C-N 3.29Å; W456-D458 PolarHBondContact O-N 2.98Å; W456-I459 PolarHBondContact O-N 3.14Å; W456-S460 PolarHBondContact NE1-OG 3.02Å; W456-S460 WeakPolarHBondContact O-CB 3.23Å; W456-S460 PolarHBondContact O-N 3.02Å; W456-S460 PolarHBondContact O-OG 3.15Å; W456-P476 HydrophobicContact CH2-CB 4.35Å; W456-P476 HydrophobicContact CZ3-CB 4.13Å; W456-H478 HydrophobicContact CE3-CB 3.66Å; W456-H478 AromaticContact CE3-CG 3.78Å; W456-H478 HydrophobicContact CZ3-CB 3.89Å; W456-L481 HydrophobicContact CH2-CD2 3.64Å; W456-L481 HydrophobicContact CH2-CG 4.4Å; W456-L481 HydrophobicContact CZ3-CD1 4.28Å; W456-L481 HydrophobicContact CZ3-CD2 3.73Å; W456-L481 HydrophobicContact CZ3-CG 3.99Å |
| 457 | N | 87.5 | Confident | 93.5 | Very high | 104 Ų | 104 | 30.4 Ų | 30.4 | 56% | 0.556 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65.8 | -38.4 | 178.3 | -75.5 | -4.8 | 0 | 0 | 0 | 110.7 | S455 S460 N461 | S455-N457 VanDerWaalsContact C-N 3.25Å; S455-N457 PolarHBondContact O-N 2.9Å; S455-N457 PolarHBondContact OG-N 3.34Å; N457-S460 PolarHBondContact O-N 3.41Å; N457-N461 VanDerWaalsContact O-CB 3.25Å; N457-N461 WeakPolarHBondContact O-CB 3.45Å; N457-N461 PolarHBondContact O-N 3.41Å; N457-N461 PolarHBondContact O-ND2 2.9Å |
| 458 | D | 93.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.7 | -43.4 | 177.7 | -49 | -69.5 | 0 | 0 | 0 | 110.1 | V428 L453 P454 S455 W456 S460 N461 T462 | V428-D458 HydrophobicContact CG2-CB 4.4Å; L453-D458 HydrophobicContact CB-CB 4.05Å; L453-D458 HydrophobicContact CD2-CB 4.21Å; P454-D458 HydrophobicContact CG-CB 4.41Å; P454-D458 WeakPolarHBondContact CG-OD2 3.43Å; S455-D458 WeakPolarHBondContact CA-OD2 3.37Å; S455-D458 VanDerWaalsContact CB-OD2 3.25Å; S455-D458 WeakPolarHBondContact CB-OD2 3.41Å; S455-D458 PolarHBondContact N-OD2 2.84Å; S455-D458 WeakPolarHBondContact O-CB 3.25Å; S455-D458 PolarHBondContact O-N 3.38Å; S455-D458 VanDerWaalsContact O-N 3.1Å; S455-D458 PolarHBondContact OG-OD2 3.12Å; W456-D458 VanDerWaalsContact C-N 3.29Å; W456-D458 PolarHBondContact O-N 2.98Å; D458-S460 VanDerWaalsContact C-N 3.32Å; D458-S460 PolarHBondContact O-N 2.95Å; D458-N461 PolarHBondContact O-N 3.41Å; D458-T462 VanDerWaalsContact O-CB 3.24Å; D458-T462 WeakPolarHBondContact O-CB 3.28Å; D458-T462 PolarHBondContact O-N 2.93Å; D458-T462 PolarHBondContact O-OG1 2.67Å |
| 459 | I | 93.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.9 | -48.8 | 172 | -69.6 | 171.8 | 0 | 0 | 0 | 111.1 | L453 S455 W456 R463 P476 H478 L502 T504 | L453-I459 HydrophobicContact CB-CG1 4.03Å; L453-I459 HydrophobicContact CD1-CB 4.38Å; L453-I459 HydrophobicContact CD1-CG1 3.9Å; S455-I459 PolarHBondContact O-N 3.05Å; W456-I459 PolarHBondContact O-N 3.14Å; I459-R463 VanDerWaalsContact O-CB 3.31Å; I459-R463 WeakPolarHBondContact O-CB 3.38Å; I459-R463 PolarHBondContact O-N 3.33Å; I459-P476 HydrophobicContact CG2-CB 3.67Å; I459-H478 HydrophobicContact CD1-CB 4.18Å; I459-L502 HydrophobicContact CG1-CB 4.37Å; I459-L502 HydrophobicContact CG2-CB 3.97Å; I459-L502 HydrophobicContact CG2-CD1 4.46Å; I459-T504 HydrophobicContact CD1-CG2 4.03Å |
| 460 | S | 89.3 | Confident | 92.7 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -45 | -177.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | W456 N457 D458 R463 A464 | W456-S460 PolarHBondContact NE1-OG 3.02Å; W456-S460 WeakPolarHBondContact O-CB 3.23Å; W456-S460 PolarHBondContact O-N 3.02Å; W456-S460 PolarHBondContact O-OG 3.15Å; N457-S460 PolarHBondContact O-N 3.41Å; D458-S460 VanDerWaalsContact C-N 3.32Å; D458-S460 PolarHBondContact O-N 2.95Å; S460-R463 PolarHBondContact O-N 3.28Å; S460-A464 WeakPolarHBondContact O-CB 3.45Å; S460-A464 PolarHBondContact O-N 2.98Å |
| 461 | N | 92.7 | Very high | 92.4 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 179.9 | -67.3 | -18.6 | 0 | 0 | 0 | 111.3 | V430 N457 D458 A464 A465 | V430-N461 VanDerWaalsContact CG1-C 3.47Å; V430-N461 HydrophobicContact CG1-CB 3.93Å; V430-N461 WeakPolarHBondContact CG1-O 3.45Å; V430-N461 HydrophobicContact CG2-CB 3.96Å; N457-N461 VanDerWaalsContact O-CB 3.25Å; N457-N461 WeakPolarHBondContact O-CB 3.45Å; N457-N461 PolarHBondContact O-N 3.41Å; N457-N461 PolarHBondContact O-ND2 2.9Å; D458-N461 PolarHBondContact O-N 3.41Å; N461-A464 PolarHBondContact O-N 3.49Å; N461-A465 WeakPolarHBondContact O-CB 3.49Å; N461-A465 PolarHBondContact O-N 2.89Å |
| 462 | T | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | V433 I437 L453 D458 A464 A465 I466 L502 | V433-T462 HydrophobicContact CB-CG2 4.49Å; V433-T462 HydrophobicContact CG1-CG2 3.73Å; I437-T462 HydrophobicContact CD1-CG2 4.24Å; L453-T462 HydrophobicContact CD1-CG2 4.16Å; D458-T462 VanDerWaalsContact O-CB 3.24Å; D458-T462 WeakPolarHBondContact O-CB 3.28Å; D458-T462 PolarHBondContact O-N 2.93Å; D458-T462 PolarHBondContact O-OG1 2.67Å; T462-A464 VanDerWaalsContact C-N 3.34Å; T462-A464 PolarHBondContact O-N 3.4Å; T462-A465 PolarHBondContact O-N 3.12Å; T462-I466 HydrophobicContact CG2-CD1 3.95Å; T462-I466 HydrophobicContact CG2-CG1 4.46Å; T462-I466 VanDerWaalsContact O-CG1 3.27Å; T462-I466 WeakPolarHBondContact O-CG1 3.46Å; T462-I466 PolarHBondContact O-N 3.03Å; T462-L502 HydrophobicContact CG2-CD1 4.16Å; T462-L502 HydrophobicContact CG2-CD2 4.08Å |
| 463 | R | 94.6 | Very high | 92.1 | Very high | 124 Ų | 124 | 52 Ų | 52 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.7 | -174.5 | 176.6 | 178.8 | -165.4 | -4.2 | 111.7 | I459 S460 A465 I466 G467 V474 L502 | I459-R463 VanDerWaalsContact O-CB 3.31Å; I459-R463 WeakPolarHBondContact O-CB 3.38Å; I459-R463 PolarHBondContact O-N 3.33Å; S460-R463 PolarHBondContact O-N 3.28Å; R463-A465 VanDerWaalsContact C-N 3.34Å; R463-I466 PolarHBondContact O-N 3.49Å; R463-G467 PolarHBondContact O-N 3.1Å; R463-V474 HydrophobicContact CG-CG1 4.06Å; R463-L502 HydrophobicContact CB-CD1 3.81Å |
| 464 | A | 91.2 | Very high | 92 | Very high | 69 Ų | 69 | 53 Ų | 53 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S460 N461 T462 G467 | S460-A464 WeakPolarHBondContact O-CB 3.45Å; S460-A464 PolarHBondContact O-N 2.98Å; N461-A464 PolarHBondContact O-N 3.49Å; T462-A464 VanDerWaalsContact C-N 3.34Å; T462-A464 PolarHBondContact O-N 3.4Å; A464-G467 PolarHBondContact O-N 3.36Å |
| 465 | A | 94.3 | Very high | 92 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V430 A434 N461 T462 R463 G467 | V430-A465 HydrophobicContact CG1-CB 3.8Å; A434-A465 HydrophobicContact CB-CB 3.81Å; N461-A465 WeakPolarHBondContact O-CB 3.49Å; N461-A465 PolarHBondContact O-N 2.89Å; T462-A465 PolarHBondContact O-N 3.12Å; R463-A465 VanDerWaalsContact C-N 3.34Å; A465-G467 VanDerWaalsContact C-N 3.34Å |
| 466 | I | 95.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 171.8 | -65.7 | 162.1 | 0 | 0 | 0 | 110.5 | A434 I437 T462 R463 V469 L472 V474 L502 | A434-I466 HydrophobicContact CB-CG1 3.89Å; I437-I466 HydrophobicContact CD1-CD1 3.8Å; I437-I466 HydrophobicContact CG2-CD1 4.12Å; I437-I466 HydrophobicContact CG2-CG1 4.5Å; T462-I466 HydrophobicContact CG2-CD1 3.95Å; T462-I466 HydrophobicContact CG2-CG1 4.46Å; T462-I466 VanDerWaalsContact O-CG1 3.27Å; T462-I466 WeakPolarHBondContact O-CG1 3.46Å; T462-I466 PolarHBondContact O-N 3.03Å; R463-I466 PolarHBondContact O-N 3.49Å; I466-V469 HydrophobicContact CG2-CG2 4.38Å; I466-L472 HydrophobicContact CG2-CD2 3.83Å; I466-V474 HydrophobicContact CD1-CG1 4.38Å; I466-V474 HydrophobicContact CG2-CG2 4.04Å; I466-L502 HydrophobicContact CD1-CD1 4.42Å; I466-L502 HydrophobicContact CD1-CD2 4.34Å |
| 467 | G | 89.8 | Confident | 92.3 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | trans | 70.6 | -165.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R463 A464 A465 | R463-G467 PolarHBondContact O-N 3.1Å; A464-G467 PolarHBondContact O-N 3.36Å; A465-G467 VanDerWaalsContact C-N 3.34Å | ||
| 468 | S | 89.4 | Confident | 92.2 | Very high | 136 Ų | 136 | 46.7 Ų | 46.7 | 95% | 0.951 | 28% | 0.283 | S | S | * | . | trans | -90.7 | 111.5 | 173.3 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 469 | V | 90.1 | Very high | 91.5 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | trans | -114.4 | 132.7 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 108 | I466 L472 | I466-V469 HydrophobicContact CG2-CG2 4.38Å; V469-L472 HydrophobicContact CB-CB 3.91Å; V469-L472 HydrophobicContact CB-CD2 4.08Å; V469-L472 HydrophobicContact CG1-CB 4.19Å; V469-L472 HydrophobicContact CG2-CD2 4.37Å; V469-L472 PolarHBondContact O-N 3.34Å | ||
| 470 | D | 87.3 | Confident | 90.4 | Very high | 145 Ų | 145 | 55.1 Ų | 55.1 | 78% | 0.775 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 142.5 | 175.8 | -66.6 | -30.7 | 0 | 0 | 0 | 110.1 | L472 | D470-L472 PolarHBondContact O-N 3.26Š|
| 471 | D | 92 | Very high | 89.8 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 9.9 | -177.9 | -56 | -40.8 | 0 | 0 | 0 | 116.3 | Q497 R498 | D471-Q497 HydrophobicContact CB-CG 4.31Å; D471-Q497 CarbonylContact O-C 3.59Å; D471-Q497 VanDerWaalsContact O-CA 3.22Å; D471-Q497 WeakPolarHBondContact O-CA 3.47Å; D471-Q497 WeakPolarHBondContact O-CB 3.4Å; D471-R498 PolarHBondContact O-N 3.2Å |
| 472 | L | 95 | Very high | 88.9 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.2 | 176.6 | -164.8 | 69.1 | 0 | 0 | 0 | 111.9 | H441 I466 V469 D470 V474 R498 V500 | H441-L472 HydrophobicContact CB-CD1 4.32Å; I466-L472 HydrophobicContact CG2-CD2 3.83Å; V469-L472 HydrophobicContact CB-CB 3.91Å; V469-L472 HydrophobicContact CB-CD2 4.08Å; V469-L472 HydrophobicContact CG1-CB 4.19Å; V469-L472 HydrophobicContact CG2-CD2 4.37Å; V469-L472 PolarHBondContact O-N 3.34Å; D470-L472 PolarHBondContact O-N 3.26Å; L472-V474 HydrophobicContact CD2-CG2 4.13Å; L472-V474 HydrophobicContact CG-CG2 4.17Å; L472-R498 WeakPolarHBondContact CA-O 3.16Å; L472-R498 HydrophobicContact CD1-CB 4.07Å; L472-R498 HydrophobicContact CD1-CG 4.29Å; L472-V500 HydrophobicContact CD1-CG2 3.43Å; L472-V500 VanDerWaalsContact CD1-CG2 3.43Å; L472-V500 HydrophobicContact CD2-CG2 4.22Å; L472-V500 HydrophobicContact CG-CG2 3.92Å |
| 473 | V | 94.8 | Very high | 88 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 104.1 | 178 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | L475 V493 Q497 R498 K499 V500 | V473-L475 HydrophobicContact CG1-CD1 4.49Å; V473-L475 HydrophobicContact CG1-CD2 3.99Å; V473-L475 HydrophobicContact CG1-CG 4.06Å; V473-V493 HydrophobicContact CB-CG1 3.98Å; V473-V493 HydrophobicContact CG1-CG1 4.26Å; V473-V493 HydrophobicContact CG2-CG1 3.93Å; V473-Q497 VanDerWaalsContact CG2-OE1 3.23Å; V473-R498 PolarHBondContact N-O 3.27Å; V473-K499 CarbonylContact O-C 3.53Å; V473-K499 WeakPolarHBondContact O-CA 3.31Å; V473-V500 PolarHBondContact O-N 2.92Å |
| 474 | V | 95.1 | Very high | 87.1 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.7 | -179.4 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | R463 I466 L472 V500 L502 | R463-V474 HydrophobicContact CG-CG1 4.06Å; I466-V474 HydrophobicContact CD1-CG1 4.38Å; I466-V474 HydrophobicContact CG2-CG2 4.04Å; L472-V474 HydrophobicContact CD2-CG2 4.13Å; L472-V474 HydrophobicContact CG-CG2 4.17Å; V474-V500 CarbonylContact C-O 3.55Å; V474-V500 WeakPolarHBondContact CA-O 3.47Å; V474-V500 HydrophobicContact CG1-CB 4.49Å; V474-V500 HydrophobicContact CG2-CB 4.31Å; V474-L502 HydrophobicContact CG1-CD1 3.69Å; V474-L502 HydrophobicContact CG1-CG 3.91Å |
| 475 | L | 93.7 | Very high | 86.6 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.3 | -177.8 | -59.1 | -179.3 | 0 | 0 | 0 | 111.4 | V473 R488 I489 K499 V500 V501 L502 | V473-L475 HydrophobicContact CG1-CD1 4.49Å; V473-L475 HydrophobicContact CG1-CD2 3.99Å; V473-L475 HydrophobicContact CG1-CG 4.06Å; L475-R488 HydrophobicContact CD1-CB 4.26Å; L475-I489 HydrophobicContact CB-CG2 4.37Å; L475-K499 HydrophobicContact CD1-CD 3.83Å; L475-K499 HydrophobicContact CD1-CG 4.12Å; L475-V500 PolarHBondContact N-O 3.48Å; L475-V501 CarbonylContact O-C 3.41Å; L475-V501 VanDerWaalsContact O-CA 3.32Å; L475-V501 WeakPolarHBondContact O-CA 3.42Å; L475-L502 PolarHBondContact O-N 3.11Å |
| 476 | P | 92.2 | Very high | 86.1 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 147.7 | 171.9 | 32.9 | -34.3 | 0 | 0 | 0 | 111.3 | W456 I459 L481 L502 | W456-P476 HydrophobicContact CH2-CB 4.35Å; W456-P476 HydrophobicContact CZ3-CB 4.13Å; I459-P476 HydrophobicContact CG2-CB 3.67Å; P476-L481 HydrophobicContact CB-CD1 4.02Å; P476-L481 HydrophobicContact CG-CD1 3.93Å; P476-L481 WeakPolarHBondContact O-CD1 3.48Å; P476-L502 CarbonylContact C-O 3.53Å; P476-L502 WeakPolarHBondContact CA-O 3.4Å |
| 477 | C | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 107.5 | 171.6 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | I489 V501 L502 A503 T504 I506 | C477-I489 HydrophobicContact CB-CG2 4.28Å; C477-V501 HydrophobicContact CB-CG1 3.8Å; C477-L502 PolarHBondContact N-O 3.35Å; C477-A503 HydrophobicContact CB-CB 3.87Å; C477-A503 VanDerWaalsContact O-CA 3.27Å; C477-A503 WeakPolarHBondContact O-CA 3.36Å; C477-T504 PolarHBondContact O-N 2.77Å; C477-I506 HydrophobicContact CB-CG2 4.46Å; C477-I506 WeakPolarHBondContact O-CG2 3.24Å |
| 478 | H | 86.8 | Confident | 85.5 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | trans | -146.2 | 150 | -176.9 | -172.6 | -91.1 | 0 | 0 | 0 | 109.6 | W456 I459 R480 L481 Q486 T504 | W456-H478 HydrophobicContact CE3-CB 3.66Å; W456-H478 AromaticContact CE3-CG 3.78Å; W456-H478 HydrophobicContact CZ3-CB 3.89Å; I459-H478 HydrophobicContact CD1-CB 4.18Å; H478-R480 WeakPolarHBondContact ND1-CB 3.28Å; H478-R480 PolarHBondContact ND1-N 3.43Å; H478-R480 VanDerWaalsContact ND1-N 3.18Å; H478-R480 PolarHBondContact O-N 2.81Å; H478-R480 VanDerWaalsContact O-N 3.08Å; H478-L481 HydrophobicContact CB-CD1 4.49Å; H478-L481 HydrophobicContact CB-CG 4.28Å; H478-L481 WeakPolarHBondContact O-CB 3.43Å; H478-L481 PolarHBondContact O-N 3.39Å; H478-Q486 PolarHBondContact O-NE2 3.39Å; H478-Q486 VanDerWaalsContact O-NE2 3.14Å; H478-T504 VanDerWaalsContact CD2-CG2 3.43Å; H478-T504 WeakPolarHBondContact CD2-CG2 3.45Å | ||
| 479 | S | 77.6 | Confident | 85.5 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.1 | -177.5 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 480 | R | 72 | Confident | 85.4 | Confident | 115 Ų | 115 | 46.5 Ų | 46.5 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.4 | 174.3 | -64.6 | 178.9 | 178.6 | 177.5 | -4.9 | 114.5 | H478 E683 | H478-R480 WeakPolarHBondContact ND1-CB 3.28Å; H478-R480 PolarHBondContact ND1-N 3.43Å; H478-R480 VanDerWaalsContact ND1-N 3.18Å; H478-R480 PolarHBondContact O-N 2.81Å; H478-R480 VanDerWaalsContact O-N 3.08Å; R480-E683 VanDerWaalsContact O-OE2 3.07Å |
| 481 | L | 75.7 | Confident | 85.5 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -79.1 | 141 | 175.9 | -70.1 | 178.6 | 0 | 0 | 0 | 109.3 | W456 P476 H478 E485 Q486 | W456-L481 HydrophobicContact CH2-CD2 3.64Å; W456-L481 HydrophobicContact CH2-CG 4.4Å; W456-L481 HydrophobicContact CZ3-CD1 4.28Å; W456-L481 HydrophobicContact CZ3-CD2 3.73Å; W456-L481 HydrophobicContact CZ3-CG 3.99Å; P476-L481 HydrophobicContact CB-CD1 4.02Å; P476-L481 HydrophobicContact CG-CD1 3.93Å; P476-L481 WeakPolarHBondContact O-CD1 3.48Å; H478-L481 HydrophobicContact CB-CD1 4.49Å; H478-L481 HydrophobicContact CB-CG 4.28Å; H478-L481 WeakPolarHBondContact O-CB 3.43Å; H478-L481 PolarHBondContact O-N 3.39Å; L481-E485 HydrophobicContact CB-CB 4.39Å; L481-E485 WeakPolarHBondContact CD2-OE2 3.45Å; L481-Q486 HydrophobicContact CB-CG 3.62Å; L481-Q486 PolarHBondContact O-NE2 2.86Å |
| 482 | P | 74.2 | Confident | 85.2 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -54.6 | 147.2 | 169.6 | -25.9 | 34.1 | 0 | 0 | 0 | 111.4 | A484 E485 Q486 K746 | P482-A484 PolarHBondContact O-N 2.96Å; P482-A484 VanDerWaalsContact O-N 3.12Å; P482-E485 HydrophobicContact CB-CG 4.41Å; P482-E485 HydrophobicContact CG-CG 4.49Å; P482-E485 PolarHBondContact O-N 2.84Å; P482-Q486 PolarHBondContact O-N 2.88Å; P482-K746 HydrophobicContact CB-CB 4.19Å; P482-K746 HydrophobicContact CG-CB 3.94Å | ||
| 483 | L | 77.2 | Confident | 85 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.7 | -37.2 | -178.3 | 179.4 | 64.3 | 0 | 0 | 0 | 112.3 | I275 V278 E485 Q486 K487 | I275-L483 HydrophobicContact CB-CD1 3.88Å; I275-L483 HydrophobicContact CG1-CD1 4.28Å; V278-L483 HydrophobicContact CG2-CD2 4.03Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 2.95Å; L483-Q486 PolarHBondContact O-N 2.99Å; L483-K487 WeakPolarHBondContact O-CB 3.14Å; L483-K487 VanDerWaalsContact O-CG 3.3Å; L483-K487 WeakPolarHBondContact O-CG 3.37Å; L483-K487 PolarHBondContact O-N 3.32Å |
| 484 | A | 76.1 | Confident | 84.8 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 51% | 0.512 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P482 | P482-A484 PolarHBondContact O-N 2.96Å; P482-A484 VanDerWaalsContact O-N 3.12Å |
| 485 | E | 79.8 | Confident | 84.4 | Confident | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.4 | -41.3 | 177.1 | -60 | -157.7 | 155 | 0 | 0 | 112 | L481 P482 L483 K487 R488 K746 | L481-E485 HydrophobicContact CB-CB 4.39Å; L481-E485 WeakPolarHBondContact CD2-OE2 3.45Å; P482-E485 HydrophobicContact CB-CG 4.41Å; P482-E485 HydrophobicContact CG-CG 4.49Å; P482-E485 PolarHBondContact O-N 2.84Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 2.95Å; E485-K487 PolarHBondContact O-N 3.13Å; E485-R488 WeakPolarHBondContact O-CB 3.18Å; E485-R488 PolarHBondContact O-N 3.24Å; E485-R488 VanDerWaalsContact O-N 3.13Å; E485-K746 HydrophobicContact CG-CD 3.69Å; E485-K746 WeakPolarHBondContact OE1-CD 3.47Å; E485-K746 IonicContact OE1-NZ 2.73Å; E485-K746 PolarHBondContact OE1-NZ 3.37Å |
| 486 | Q | 83.8 | Confident | 84.2 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 175 | -59.4 | -175.7 | 25 | 0 | 0 | 111.1 | I275 H478 L481 P482 L483 R488 I489 | I275-Q486 HydrophobicContact CD1-CB 3.34Å; I275-Q486 HydrophobicContact CD1-CG 4.45Å; H478-Q486 PolarHBondContact O-NE2 3.39Å; H478-Q486 VanDerWaalsContact O-NE2 3.14Å; L481-Q486 HydrophobicContact CB-CG 3.62Å; L481-Q486 PolarHBondContact O-NE2 2.86Å; P482-Q486 PolarHBondContact O-N 2.88Å; L483-Q486 PolarHBondContact O-N 2.99Å; Q486-R488 PolarHBondContact O-N 3.45Å; Q486-I489 WeakPolarHBondContact O-CD1 3.14Å; Q486-I489 WeakPolarHBondContact O-CG1 3.43Å; Q486-I489 PolarHBondContact O-N 2.86Å |
| 487 | K | 85.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.8 | -27.1 | 176.5 | -82.7 | 179.6 | 177.8 | -171.2 | 0 | 113.8 | L483 E485 I489 F490 | L483-K487 WeakPolarHBondContact O-CB 3.14Å; L483-K487 VanDerWaalsContact O-CG 3.3Å; L483-K487 WeakPolarHBondContact O-CG 3.37Å; L483-K487 PolarHBondContact O-N 3.32Å; E485-K487 PolarHBondContact O-N 3.13Å; K487-I489 PolarHBondContact O-N 3.48Å; K487-I489 VanDerWaalsContact O-N 3.13Å; K487-F490 WeakPolarHBondContact O-CB 3.48Å; K487-F490 WeakPolarHBondContact O-CD2 3.37Å; K487-F490 PolarHBondContact O-N 3.02Å |
| 488 | R | 87.6 | Confident | 84.5 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -60.2 | -25.8 | -179.8 | -64.9 | 176.4 | 62.6 | -159.7 | -0.8 | 113.1 | L475 E485 Q486 F490 E491 | L475-R488 HydrophobicContact CD1-CB 4.26Å; E485-R488 WeakPolarHBondContact O-CB 3.18Å; E485-R488 PolarHBondContact O-N 3.24Å; E485-R488 VanDerWaalsContact O-N 3.13Å; Q486-R488 PolarHBondContact O-N 3.45Å; R488-F490 PolarHBondContact O-N 3.47Å; R488-E491 WeakPolarHBondContact O-CB 3.36Å; R488-E491 PolarHBondContact O-N 3.44Å; R488-E491 VanDerWaalsContact O-N 3.08Å |
| 489 | I | 89.9 | Confident | 85 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -63.7 | -21.9 | 176.7 | 76.5 | -169.5 | 0 | 0 | 0 | 112.1 | I275 L475 C477 Q486 K487 K499 V501 I511 V513 | I275-I489 HydrophobicContact CD1-CD1 4.24Å; L475-I489 HydrophobicContact CB-CG2 4.37Å; C477-I489 HydrophobicContact CB-CG2 4.28Å; Q486-I489 WeakPolarHBondContact O-CD1 3.14Å; Q486-I489 WeakPolarHBondContact O-CG1 3.43Å; Q486-I489 PolarHBondContact O-N 2.86Å; K487-I489 PolarHBondContact O-N 3.48Å; K487-I489 VanDerWaalsContact O-N 3.13Å; I489-K499 PolarHBondContact O-NZ 3.38Å; I489-V501 HydrophobicContact CB-CG1 4.42Å; I489-V501 HydrophobicContact CB-CG2 4.2Å; I489-V501 HydrophobicContact CG2-CG1 3.98Å; I489-V501 HydrophobicContact CG2-CG2 4.33Å; I489-I511 HydrophobicContact CD1-CG2 3.71Å; I489-V513 HydrophobicContact CB-CG2 4.24Å; I489-V513 HydrophobicContact CD1-CG2 3.95Å; I489-V513 HydrophobicContact CG1-CG2 3.93Å; I489-V513 WeakPolarHBondContact O-CG1 3.44Å |
| 490 | F | 88.3 | Confident | 85.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.254 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -87.6 | -13.3 | 177.1 | -53.2 | -62 | 0 | 0 | 0 | 113.1 | I275 K487 R488 I511 T512 | I275-F490 HydrophobicContact CD1-CE2 3.49Å; I275-F490 VanDerWaalsContact CD1-CE2 3.49Å; I275-F490 HydrophobicContact CD1-CZ 3.77Å; I275-F490 HydrophobicContact CG1-CE2 3.64Å; I275-F490 HydrophobicContact CG1-CZ 3.79Å; K487-F490 WeakPolarHBondContact O-CB 3.48Å; K487-F490 WeakPolarHBondContact O-CD2 3.37Å; K487-F490 PolarHBondContact O-N 3.02Å; R488-F490 PolarHBondContact O-N 3.47Å; F490-I511 HydrophobicContact CE1-CG2 3.83Å; F490-I511 HydrophobicContact CZ-CG2 3.9Å; F490-T512 WeakPolarHBondContact CD1-O 3.35Å; F490-T512 WeakPolarHBondContact CE1-O 3.39Å |
| 491 | E | 88.8 | Confident | 87.1 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -69.1 | 139.3 | 177.7 | -65.4 | 165.7 | -167 | 0 | 0 | 110.1 | R488 K499 | R488-E491 WeakPolarHBondContact O-CB 3.36Å; R488-E491 PolarHBondContact O-N 3.44Å; R488-E491 VanDerWaalsContact O-N 3.08Å; E491-K499 PolarHBondContact O-NZ 2.87Å |
| 492 | R | 86.7 | Confident | 88.1 | Confident | 187 Ų | 187 | 53 Ų | 53 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 127.6 | 173.5 | -177.8 | 170.5 | 173.1 | 175.4 | -5.1 | 108.8 | D495 | R492-D495 IonicContact CZ-OD1 2.75Å; R492-D495 IonicContact NE-OD1 3.58Å; R492-D495 IonicContact NH2-OD1 2.9Å; R492-D495 PolarHBondContact NH2-OD1 2.72Å |
| 493 | V | 89.8 | Confident | 89.1 | Confident | 22 Ų | 22 | 52 Ų | 52 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 151.6 | 172.5 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | V473 Q497 K499 | V473-V493 HydrophobicContact CB-CG1 3.98Å; V473-V493 HydrophobicContact CG1-CG1 4.26Å; V473-V493 HydrophobicContact CG2-CG1 3.93Å; V493-Q497 HydrophobicContact CB-CB 4.24Å; V493-Q497 HydrophobicContact CG2-CB 4.29Å; V493-Q497 WeakPolarHBondContact CG2-O 3.45Å; V493-K499 HydrophobicContact CG1-CB 3.88Å; V493-K499 HydrophobicContact CG1-CD 4.28Å; V493-K499 HydrophobicContact CG1-CG 4.33Å; V493-K499 HydrophobicContact CG2-CB 4.31Å |
| 494 | P | 90.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 148.2 | 175.6 | -25.8 | 34.5 | 0 | 0 | 0 | 112.5 | G496 Q497 | P494-G496 PolarHBondContact O-N 2.95Å; P494-Q497 HydrophobicContact CB-CG 4.45Å; P494-Q497 WeakPolarHBondContact O-CB 3.34Å; P494-Q497 PolarHBondContact O-N 3.46Å |
| 495 | D | 87.3 | Confident | 90.4 | Very high | 136 Ų | 136 | 50.9 Ų | 50.9 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 133.1 | 177.4 | -68.8 | -24.3 | 0 | 0 | 0 | 110.3 | R492 | R492-D495 IonicContact CZ-OD1 2.75Å; R492-D495 IonicContact NE-OD1 3.58Å; R492-D495 IonicContact NH2-OD1 2.9Å; R492-D495 PolarHBondContact NH2-OD1 2.72Å |
| 496 | G | 89.2 | Confident | 90.7 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 73% | 0.732 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | -21.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | P494 | P494-G496 PolarHBondContact O-N 2.95Š|
| 497 | Q | 94 | Very high | 90.8 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | trans | -93.4 | 153.4 | 176.4 | -56.3 | -168.2 | -3.6 | 0 | 0 | 112.4 | D471 V473 V493 P494 | D471-Q497 HydrophobicContact CB-CG 4.31Å; D471-Q497 CarbonylContact O-C 3.59Å; D471-Q497 VanDerWaalsContact O-CA 3.22Å; D471-Q497 WeakPolarHBondContact O-CA 3.47Å; D471-Q497 WeakPolarHBondContact O-CB 3.4Å; V473-Q497 VanDerWaalsContact CG2-OE1 3.23Å; V493-Q497 HydrophobicContact CB-CB 4.24Å; V493-Q497 HydrophobicContact CG2-CB 4.29Å; V493-Q497 WeakPolarHBondContact CG2-O 3.45Å; P494-Q497 HydrophobicContact CB-CG 4.45Å; P494-Q497 WeakPolarHBondContact O-CB 3.34Å; P494-Q497 PolarHBondContact O-N 3.46Å | ||
| 498 | R | 95.5 | Very high | 90.8 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.3 | 173.6 | -176.2 | -179.3 | -61.3 | -127.5 | 11.1 | 110.3 | K444 P445 G447 D471 L472 V473 Y518 | K444-R498 PolarHBondContact O-NH2 3.06Å; P445-R498 PolarHBondContact O-NH1 3.4Å; P445-R498 PolarHBondContact O-NH2 3.44Å; G447-R498 WeakPolarHBondContact O-CD 3.39Å; G447-R498 WeakPolarHBondContact O-CG 3.3Å; G447-R498 PolarHBondContact O-NH1 3.39Å; D471-R498 PolarHBondContact O-N 3.2Å; L472-R498 WeakPolarHBondContact CA-O 3.16Å; L472-R498 HydrophobicContact CD1-CB 4.07Å; L472-R498 HydrophobicContact CD1-CG 4.29Å; V473-R498 PolarHBondContact N-O 3.27Å; R498-Y518 VanDerWaalsContact NH1-CD2 3.31Å |
| 499 | K | 96.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.2 | 173.4 | -174.6 | 172.5 | 47.8 | -173.9 | 0 | 111 | D448 I449 V473 L475 I489 E491 V493 V501 | D448-K499 WeakPolarHBondContact CA-O 3.38Å; D448-K499 HydrophobicContact CB-CB 4.26Å; D448-K499 WeakPolarHBondContact CB-O 3.41Å; D448-K499 WeakPolarHBondContact OD1-CB 3.49Å; D448-K499 PolarHBondContact OD1-N 2.75Å; D448-K499 WeakPolarHBondContact OD2-CE 3.46Å; D448-K499 IonicContact OD2-NZ 3.91Å; I449-K499 PolarHBondContact N-O 2.88Å; V473-K499 CarbonylContact O-C 3.53Å; V473-K499 WeakPolarHBondContact O-CA 3.31Å; L475-K499 HydrophobicContact CD1-CD 3.83Å; L475-K499 HydrophobicContact CD1-CG 4.12Å; I489-K499 PolarHBondContact O-NZ 3.38Å; E491-K499 PolarHBondContact O-NZ 2.87Å; V493-K499 HydrophobicContact CG1-CB 3.88Å; V493-K499 HydrophobicContact CG1-CD 4.28Å; V493-K499 HydrophobicContact CG1-CG 4.33Å; V493-K499 HydrophobicContact CG2-CB 4.31Å; K499-V501 HydrophobicContact CD-CG2 4.25Å; K499-V501 HydrophobicContact CG-CG2 4.12Å |
| 500 | V | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.3 | 169.7 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | I437 I449 L472 V473 V474 L475 L502 | I437-V500 HydrophobicContact CD1-CG1 4.3Å; I437-V500 HydrophobicContact CG2-CG1 4.16Å; I437-V500 HydrophobicContact CG2-CG2 4.07Å; I449-V500 HydrophobicContact CB-CG1 4.28Å; I449-V500 HydrophobicContact CB-CG2 4.17Å; I449-V500 HydrophobicContact CD1-CG2 4.12Å; I449-V500 HydrophobicContact CG1-CG2 4.45Å; I449-V500 HydrophobicContact CG2-CG1 4.41Å; I449-V500 CarbonylContact O-C 3.36Å; I449-V500 WeakPolarHBondContact O-CA 3.36Å; L472-V500 HydrophobicContact CD1-CG2 3.43Å; L472-V500 VanDerWaalsContact CD1-CG2 3.43Å; L472-V500 HydrophobicContact CD2-CG2 4.22Å; L472-V500 HydrophobicContact CG-CG2 3.92Å; V473-V500 PolarHBondContact O-N 2.92Å; V474-V500 CarbonylContact C-O 3.55Å; V474-V500 WeakPolarHBondContact CA-O 3.47Å; V474-V500 HydrophobicContact CG1-CB 4.49Å; V474-V500 HydrophobicContact CG2-CB 4.31Å; L475-V500 PolarHBondContact N-O 3.48Å; V500-L502 HydrophobicContact CG1-CD2 3.79Å; V500-L502 HydrophobicContact CG1-CG 4.42Å |
| 501 | V | 96.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.7 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I449 L450 C451 L475 C477 I489 K499 A503 V513 | I449-V501 PolarHBondContact O-N 3.24Å; L450-V501 HydrophobicContact CD1-CB 3.86Å; L450-V501 HydrophobicContact CD1-CG1 3.84Å; C451-V501 PolarHBondContact N-O 2.95Å; L475-V501 CarbonylContact O-C 3.41Å; L475-V501 VanDerWaalsContact O-CA 3.32Å; L475-V501 WeakPolarHBondContact O-CA 3.42Å; C477-V501 HydrophobicContact CB-CG1 3.8Å; I489-V501 HydrophobicContact CB-CG1 4.42Å; I489-V501 HydrophobicContact CB-CG2 4.2Å; I489-V501 HydrophobicContact CG2-CG1 3.98Å; I489-V501 HydrophobicContact CG2-CG2 4.33Å; K499-V501 HydrophobicContact CD-CG2 4.25Å; K499-V501 HydrophobicContact CG-CG2 4.12Å; V501-A503 HydrophobicContact CG1-CB 4.41Å; V501-V513 HydrophobicContact CG2-CG1 4.23Å |
| 502 | L | 97.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 107.1 | 174.7 | -57.4 | -176.7 | 0 | 0 | 0 | 109 | I437 C451 L453 I459 T462 R463 I466 V474 L475 P476 C477 V500 | I437-L502 HydrophobicContact CD1-CD2 4.01Å; C451-L502 HydrophobicContact CB-CD2 3.61Å; L453-L502 HydrophobicContact CD1-CB 4.23Å; L453-L502 HydrophobicContact CD1-CD2 4.37Å; I459-L502 HydrophobicContact CG1-CB 4.37Å; I459-L502 HydrophobicContact CG2-CB 3.97Å; I459-L502 HydrophobicContact CG2-CD1 4.46Å; T462-L502 HydrophobicContact CG2-CD1 4.16Å; T462-L502 HydrophobicContact CG2-CD2 4.08Å; R463-L502 HydrophobicContact CB-CD1 3.81Å; I466-L502 HydrophobicContact CD1-CD1 4.42Å; I466-L502 HydrophobicContact CD1-CD2 4.34Å; V474-L502 HydrophobicContact CG1-CD1 3.69Å; V474-L502 HydrophobicContact CG1-CG 3.91Å; L475-L502 PolarHBondContact O-N 3.11Å; P476-L502 CarbonylContact C-O 3.53Å; P476-L502 WeakPolarHBondContact CA-O 3.4Å; C477-L502 PolarHBondContact N-O 3.35Å; V500-L502 HydrophobicContact CG1-CD2 3.79Å; V500-L502 HydrophobicContact CG1-CG 4.42Å |
| 503 | A | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L450 C451 F452 L453 C477 V501 I506 A507 | L450-A503 HydrophobicContact CD1-CB 3.87Å; C451-A503 PolarHBondContact O-N 3.17Å; F452-A503 CarbonylContact C-O 3.57Å; F452-A503 WeakPolarHBondContact CA-O 3.35Å; L453-A503 PolarHBondContact N-O 3.49Å; C477-A503 HydrophobicContact CB-CB 3.87Å; C477-A503 VanDerWaalsContact O-CA 3.27Å; C477-A503 WeakPolarHBondContact O-CA 3.36Å; V501-A503 HydrophobicContact CG1-CB 4.41Å; A503-I506 HydrophobicContact CB-CG2 4.41Å; A503-A507 HydrophobicContact CB-CB 3.51Å |
| 504 | T | 92.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | trans | -81.2 | -167.1 | 159.5 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | F452 L453 I459 C477 H478 I506 A507 | F452-T504 WeakPolarHBondContact CD1-O 3.43Å; L453-T504 VanDerWaalsContact O-CA 3.3Å; L453-T504 WeakPolarHBondContact O-CA 3.48Å; L453-T504 WeakPolarHBondContact O-CG2 3.08Å; I459-T504 HydrophobicContact CD1-CG2 4.03Å; C477-T504 PolarHBondContact O-N 2.77Å; H478-T504 VanDerWaalsContact CD2-CG2 3.43Å; H478-T504 WeakPolarHBondContact CD2-CG2 3.45Å; T504-I506 PolarHBondContact O-N 3.25Å; T504-I506 PolarHBondContact OG1-N 2.92Å; T504-A507 PolarHBondContact O-N 3.4Å | ||
| 505 | N | 88.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 30.8 Ų | 30.8 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -55.3 | -5.4 | 167.9 | 68.2 | -31.8 | 0 | 0 | 0 | 113.9 | A507 E508 | N505-A507 PolarHBondContact O-N 2.9Å; N505-E508 HydrophobicContact CB-CB 4.45Å; N505-E508 WeakPolarHBondContact CB-OE2 3.39Å; N505-E508 WeakPolarHBondContact O-CB 3.32Å; N505-E508 PolarHBondContact O-N 3.33Å; N505-E508 VanDerWaalsContact O-N 3.12Å |
| 506 | I | 84.5 | Confident | 87.1 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -57.5 | -32.5 | 171.1 | -167.7 | 167.8 | 0 | 0 | 0 | 113.7 | C477 A503 T504 E508 I511 | C477-I506 HydrophobicContact CB-CG2 4.46Å; C477-I506 WeakPolarHBondContact O-CG2 3.24Å; A503-I506 HydrophobicContact CB-CG2 4.41Å; T504-I506 PolarHBondContact O-N 3.25Å; T504-I506 PolarHBondContact OG1-N 2.92Å; I506-E508 VanDerWaalsContact C-N 3.32Å; I506-I511 HydrophobicContact CG1-CD1 3.81Å; I506-I511 WeakPolarHBondContact O-CD1 3.46Å |
| 507 | A | 87 | Confident | 87.3 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -89.9 | 4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L450 F452 A503 T504 N505 R555 | L450-A507 HydrophobicContact CD1-CB 3.92Å; L450-A507 HydrophobicContact CD2-CB 4.19Å; F452-A507 HydrophobicContact CE1-CB 3.98Å; F452-A507 HydrophobicContact CZ-CB 4.29Å; A503-A507 HydrophobicContact CB-CB 3.51Å; T504-A507 PolarHBondContact O-N 3.4Å; N505-A507 PolarHBondContact O-N 2.9Å; A507-R555 WeakPolarHBondContact O-CD 3.48Å; A507-R555 PolarHBondContact O-NE 3.38Å |
| 508 | E | 84.2 | Confident | 87.5 | Confident | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -75.2 | -31.3 | -172.1 | -172.4 | 170.9 | 147.7 | 0 | 0 | 113.8 | F452 N505 I506 S548 Q551 R552 R555 | F452-E508 HydrophobicContact CE1-CB 4.22Å; N505-E508 HydrophobicContact CB-CB 4.45Å; N505-E508 WeakPolarHBondContact CB-OE2 3.39Å; N505-E508 WeakPolarHBondContact O-CB 3.32Å; N505-E508 PolarHBondContact O-N 3.33Å; N505-E508 VanDerWaalsContact O-N 3.12Å; I506-E508 VanDerWaalsContact C-N 3.32Å; E508-S548 WeakPolarHBondContact OE1-CA 3.44Å; E508-S548 WeakPolarHBondContact OE1-CB 3.23Å; E508-S548 PolarHBondContact OE1-OG 2.91Å; E508-S548 PolarHBondContact OE2-OG 3.38Å; E508-Q551 HydrophobicContact CG-CB 3.8Å; E508-Q551 PolarHBondContact OE1-OE1 2.97Å; E508-R552 HydrophobicContact CG-CG 4.02Å; E508-R552 IonicContact OE2-NE 3.41Å; E508-R552 PolarHBondContact OE2-NE 3.49Å; E508-R552 IonicContact OE2-NH2 3.77Å; E508-R555 PolarHBondContact O-NE 3.44Å; E508-R555 PolarHBondContact O-NH2 3.1Å |
| 509 | T | 75.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -134.5 | 157.1 | -176.4 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | E344 I511 | E344-T509 HydrophobicContact CG-CG2 3.78Å; E344-T509 WeakPolarHBondContact OE1-CB 3.24Å; E344-T509 PolarHBondContact OE1-OG1 2.93Å; E344-T509 PolarHBondContact OE2-OG1 3.28Å; T509-I511 PolarHBondContact O-N 3.08Å |
| 510 | S | 70.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 19.9 Ų | 19.9 | 7% | 0.07 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 49.6 | -32.7 | 174.7 | 58.3 | 0 | 0 | 0 | 0 | 121.5 | S276 E341 T512 | S276-S510 WeakPolarHBondContact CB-OG 3.44Å; S276-S510 WeakPolarHBondContact OG-CB 3.46Å; S276-S510 PolarHBondContact OG-OG 3.48Å; E341-S510 VanDerWaalsContact OE1-CA 3.24Å; E341-S510 WeakPolarHBondContact OE1-CA 3.28Å; E341-S510 VanDerWaalsContact OE1-CB 3.27Å; E341-S510 WeakPolarHBondContact OE1-CB 3.39Å; E341-S510 PolarHBondContact OE1-N 3.31Å; S510-T512 PolarHBondContact O-N 3.48Å |
| 511 | I | 75.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | -74.7 | 109.2 | 176.6 | -59.9 | -173.4 | 0 | 0 | 0 | 109.7 | I275 I489 F490 I506 T509 V513 R555 | I275-I511 HydrophobicContact CD1-CD1 4.44Å; I275-I511 HydrophobicContact CG2-CD1 3.47Å; I275-I511 VanDerWaalsContact CG2-CD1 3.47Å; I275-I511 HydrophobicContact CG2-CG1 4.02Å; I489-I511 HydrophobicContact CD1-CG2 3.71Å; F490-I511 HydrophobicContact CE1-CG2 3.83Å; F490-I511 HydrophobicContact CZ-CG2 3.9Å; I506-I511 HydrophobicContact CG1-CD1 3.81Å; I506-I511 WeakPolarHBondContact O-CD1 3.46Å; T509-I511 PolarHBondContact O-N 3.08Å; I511-V513 HydrophobicContact CG2-CG2 4.18Å; I511-R555 PolarHBondContact O-NH1 3.31Å | ||
| 512 | T | 72.7 | Confident | 87.7 | Confident | 59 Ų | 59 | 20.2 Ų | 20.2 | 36% | 0.362 | 10% | 0.104 | S | C | . | . | trans | -95.1 | 94.7 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | F490 S510 | F490-T512 WeakPolarHBondContact CD1-O 3.35Å; F490-T512 WeakPolarHBondContact CE1-O 3.39Å; S510-T512 PolarHBondContact O-N 3.48Å | ||
| 513 | V | 80.6 | Confident | 87.6 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 7% | 0.073 | 10% | 0.104 | C | C | . | . | trans | -78 | 119.5 | 163.3 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | I489 V501 I511 I516 | I489-V513 HydrophobicContact CB-CG2 4.24Å; I489-V513 HydrophobicContact CD1-CG2 3.95Å; I489-V513 HydrophobicContact CG1-CG2 3.93Å; I489-V513 WeakPolarHBondContact O-CG1 3.44Å; V501-V513 HydrophobicContact CG2-CG1 4.23Å; I511-V513 HydrophobicContact CG2-CG2 4.18Å; V513-I516 HydrophobicContact CB-CD1 3.96Å; V513-I516 HydrophobicContact CB-CG1 3.64Å; V513-I516 HydrophobicContact CG1-CD1 3.59Å; V513-I516 HydrophobicContact CG1-CG1 3.75Å | ||
| 514 | E | 78.4 | Confident | 87.6 | Confident | 91 Ų | 91 | 20.4 Ų | 20.4 | 43% | 0.425 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 151.6 | 176.4 | -62.2 | -172.4 | 166.6 | 0 | 0 | 110.3 | R283 I516 | R283-E514 IonicContact NH1-OE1 2.98Å; E514-I516 VanDerWaalsContact C-N 3.27Å; E514-I516 PolarHBondContact O-N 3.37Å |
| 515 | N | 86.4 | Confident | 87.5 | Confident | 83 Ų | 83 | 21.1 Ų | 21.1 | 44% | 0.444 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 11.1 | 177.4 | -54.9 | -29.8 | 0 | 0 | 0 | 117.7 | D448 R517 | D448-N515 PolarHBondContact N-O 3.34Å; N515-R517 PolarHBondContact O-N 3.29Å |
| 516 | I | 91.2 | Very high | 87.6 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.067 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 113.5 | 169.4 | -61.1 | -57.1 | 0 | 0 | 0 | 109.5 | D448 L450 V513 E514 V519 R555 | D448-I516 HydrophobicContact CB-CD1 3.81Å; L450-I516 HydrophobicContact CB-CD1 3.87Å; L450-I516 HydrophobicContact CB-CG1 4.29Å; L450-I516 HydrophobicContact CB-CG2 3.9Å; V513-I516 HydrophobicContact CB-CD1 3.96Å; V513-I516 HydrophobicContact CB-CG1 3.64Å; V513-I516 HydrophobicContact CG1-CD1 3.59Å; V513-I516 HydrophobicContact CG1-CG1 3.75Å; E514-I516 VanDerWaalsContact C-N 3.27Å; E514-I516 PolarHBondContact O-N 3.37Å; I516-V519 HydrophobicContact CG2-CG2 4.12Å; I516-R555 WeakPolarHBondContact CG2-O 3.48Å |
| 517 | R | 94.3 | Very high | 87.6 | Confident | 60 Ų | 60 | 23.5 Ų | 23.5 | 23% | 0.226 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -30 | 176.1 | -172.5 | 171.3 | -175.3 | 178.4 | -0.5 | 111.9 | P446 D448 N515 E561 G562 E563 | P446-R517 WeakPolarHBondContact O-CD 3.3Å; P446-R517 PolarHBondContact O-NH1 3.41Å; D448-R517 PolarHBondContact O-N 3.37Å; N515-R517 PolarHBondContact O-N 3.29Å; R517-E561 PolarHBondContact NE-O 3.01Å; R517-G562 CarbonylContact O-C 3.56Å; R517-G562 WeakPolarHBondContact O-CA 3.31Å; R517-E563 PolarHBondContact O-N 3.39Å |
| 518 | Y | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.2 | -176 | -52.7 | -77.5 | 0 | 0 | 0 | 110.2 | I440 K444 P445 D448 I449 L450 R498 E563 Y565 | I440-Y518 HydrophobicContact CG2-CD1 3.9Å; I440-Y518 HydrophobicContact CG2-CD2 3.8Å; I440-Y518 HydrophobicContact CG2-CE1 4.44Å; I440-Y518 HydrophobicContact CG2-CE2 4.34Å; I440-Y518 HydrophobicContact CG2-CG 3.58Å; K444-Y518 HydrophobicContact CB-CE1 3.75Å; K444-Y518 HydrophobicContact CB-CE2 4.23Å; K444-Y518 HydrophobicContact CD-CE1 4.15Å; K444-Y518 HydrophobicContact CG-CE1 3.95Å; P445-Y518 WeakPolarHBondContact CD-OH 3.3Å; P445-Y518 WeakPolarHBondContact O-CE2 3.28Å; P445-Y518 PolarHBondContact O-OH 2.8Å; D448-Y518 PolarHBondContact O-N 3.18Å; D448-Y518 VanDerWaalsContact O-N 3.13Å; I449-Y518 CarbonylContact C-O 3.47Å; I449-Y518 VanDerWaalsContact CA-O 3.31Å; I449-Y518 WeakPolarHBondContact CA-O 3.36Å; I449-Y518 HydrophobicContact CG1-CD2 4.35Å; L450-Y518 PolarHBondContact N-O 2.98Å; R498-Y518 VanDerWaalsContact NH1-CD2 3.31Å; Y518-E563 CarbonylContact C-O 3.53Å; Y518-E563 WeakPolarHBondContact CA-O 3.29Å; Y518-E563 HydrophobicContact CD1-CB 4.04Å; Y518-E563 HydrophobicContact CD1-CG 4.36Å; Y518-E563 HydrophobicContact CE1-CB 4.4Å; Y518-E563 HydrophobicContact CE1-CG 4.22Å; Y518-Y565 HydrophobicContact CD1-CE2 4.37Å |
| 519 | V | 97 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.1 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 109.1 | L450 F452 I516 N521 R555 A556 E563 C564 Y565 | L450-V519 HydrophobicContact CB-CG2 4.48Å; L450-V519 CarbonylContact O-C 3.56Å; L450-V519 VanDerWaalsContact O-CA 3.29Å; L450-V519 WeakPolarHBondContact O-CA 3.48Å; F452-V519 HydrophobicContact CD2-CG1 3.92Å; F452-V519 HydrophobicContact CE2-CG1 3.97Å; I516-V519 HydrophobicContact CG2-CG2 4.12Å; V519-N521 HydrophobicContact CG1-CB 4.31Å; V519-R555 HydrophobicContact CG2-CB 3.99Å; V519-A556 HydrophobicContact CG2-CB 3.96Å; V519-E563 PolarHBondContact N-O 3.35Å; V519-C564 HydrophobicContact CB-CB 4.32Å; V519-C564 CarbonylContact O-C 3.53Å; V519-C564 WeakPolarHBondContact O-CA 3.4Å; V519-Y565 PolarHBondContact O-N 2.91Å |
| 520 | V | 98.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.7 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | V433 V436 I437 I440 I449 L450 C451 F452 I567 | V433-V520 HydrophobicContact CG1-CG1 4.35Å; V436-V520 HydrophobicContact CG1-CG1 4.22Å; V436-V520 HydrophobicContact CG1-CG2 4Å; I437-V520 HydrophobicContact CG1-CG2 4.12Å; I440-V520 HydrophobicContact CD1-CG2 3.68Å; I449-V520 HydrophobicContact CG2-CG2 3.95Å; L450-V520 PolarHBondContact O-N 3.25Å; C451-V520 CarbonylContact C-O 3.59Å; C451-V520 VanDerWaalsContact CA-O 3.23Å; C451-V520 WeakPolarHBondContact CA-O 3.26Å; C451-V520 HydrophobicContact CB-CB 4.16Å; F452-V520 PolarHBondContact N-O 3.49Å; V520-I567 HydrophobicContact CG1-CD1 3.67Å; V520-I567 HydrophobicContact CG1-CG1 4.41Å |
| 521 | N | 97.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.7 | -169.6 | -177.4 | 15.6 | 0 | 0 | 0 | 111.5 | V519 G523 Q549 R552 Y565 H566 I567 | V519-N521 HydrophobicContact CG1-CB 4.31Å; N521-G523 PolarHBondContact O-N 3.34Å; N521-G523 PolarHBondContact OD1-N 2.86Å; N521-Q549 PolarHBondContact ND2-OE1 2.84Å; N521-R552 WeakPolarHBondContact OD1-CD 3.15Å; N521-R552 PolarHBondContact OD1-NH1 3.11Å; N521-R552 VanDerWaalsContact OD1-NH1 3.09Å; N521-Y565 PolarHBondContact N-O 3.26Å; N521-H566 PolarHBondContact ND2-ND1 2.7Å; N521-I567 PolarHBondContact O-N 2.95Å |
| 522 | T | 96.8 | Very high | 87.1 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | trans | -71.9 | -13.2 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | V428 V433 F452 L453 L524 I567 | V428-T522 HydrophobicContact CG1-CG2 3.98Å; V428-T522 HydrophobicContact CG2-CG2 4.46Å; V433-T522 HydrophobicContact CG2-CG2 3.83Å; F452-T522 WeakPolarHBondContact O-CG2 3.48Å; F452-T522 PolarHBondContact O-N 3.37Å; F452-T522 PolarHBondContact O-OG1 2.77Å; L453-T522 HydrophobicContact CD2-CG2 3.85Å; T522-L524 PolarHBondContact O-N 3.25Å; T522-L524 VanDerWaalsContact O-N 3.11Å; T522-I567 HydrophobicContact CG2-CD1 4.36Å | ||
| 523 | G | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 74.2 | -9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N521 A544 Q549 | N521-G523 PolarHBondContact O-N 3.34Å; N521-G523 PolarHBondContact OD1-N 2.86Å; G523-A544 PolarHBondContact O-N 3.39Å; G523-Q549 PolarHBondContact O-NE2 3.45Å; G523-Q549 VanDerWaalsContact O-NE2 3.13Å | ||
| 524 | L | 95.4 | Very high | 85.8 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 160 | -175 | -62.2 | 170.2 | 0 | 0 | 0 | 112.3 | V426 V428 P454 T522 Q542 W543 R552 | V426-L524 HydrophobicContact CB-CD2 3.92Å; V426-L524 HydrophobicContact CG1-CD1 4.02Å; V426-L524 HydrophobicContact CG1-CD2 3.85Å; V426-L524 HydrophobicContact CG1-CG 4.44Å; V428-L524 HydrophobicContact CG2-CD1 3.91Å; P454-L524 HydrophobicContact CB-CB 3.95Å; P454-L524 HydrophobicContact CG-CB 3.98Å; T522-L524 PolarHBondContact O-N 3.25Å; T522-L524 VanDerWaalsContact O-N 3.11Å; L524-Q542 WeakPolarHBondContact CA-O 3.07Å; L524-W543 HydrophobicContact CD2-CD2 3.92Å; L524-W543 HydrophobicContact CD2-CE3 3.67Å; L524-W543 HydrophobicContact CD2-CH2 4.41Å; L524-W543 HydrophobicContact CD2-CZ3 3.93Å; L524-W543 HydrophobicContact CG-CE3 4.28Å; L524-W543 HydrophobicContact CG-CZ3 4.21Å; L524-R552 PolarHBondContact O-NH1 3.16Å; L524-R552 VanDerWaalsContact O-NH1 3.09Å; L524-R552 PolarHBondContact O-NH2 3.22Å; L524-R552 VanDerWaalsContact O-NH2 3.15Å |
| 525 | R | 92 | Very high | 85.5 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 9% | 0.087 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.7 | 168.4 | 65.9 | -168.6 | -101.2 | -114.4 | 13.4 | 110.2 | T527 Q541 Q542 A544 E580 | R525-T527 HydrophobicContact CG-CG2 4.25Å; R525-T527 VanDerWaalsContact NH2-CG2 3.3Å; R525-Q541 WeakPolarHBondContact O-CA 3.34Å; R525-Q542 HydrophobicContact CG-CG 4.21Å; R525-Q542 PolarHBondContact N-O 3.11Å; R525-Q542 PolarHBondContact O-N 3.44Å; R525-Q542 VanDerWaalsContact O-O 3.14Å; R525-A544 HydrophobicContact CB-CB 4.24Å; R525-A544 HydrophobicContact CG-CB 4.06Å; R525-E580 WeakPolarHBondContact CD-OE1 3.37Å; R525-E580 IonicContact CZ-OE1 3.52Å; R525-E580 IonicContact CZ-OE2 3.3Å; R525-E580 IonicContact NE-OE1 2.63Å; R525-E580 PolarHBondContact NE-OE1 3.38Å; R525-E580 IonicContact NE-OE2 3.15Å; R525-E580 PolarHBondContact NE-OE2 2.94Å; R525-E580 IonicContact NH1-OE1 3.06Å; R525-E580 IonicContact NH1-OE2 2.76Å; R525-E580 IonicContact NH2-OE1 3.19Å; R525-E580 IonicContact NH2-OE2 2.81Å; R525-E580 PolarHBondContact NH2-OE2 3.06Å |
| 526 | K | 89.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 32.4 Ų | 32.4 | 38% | 0.378 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.1 | 171.3 | -168.8 | 169.9 | -173.3 | 164 | 0 | 109.9 | P454 H539 R540 | P454-K526 HydrophobicContact CB-CB 4.44Å; P454-K526 WeakPolarHBondContact O-CB 3.48Å; P454-K526 PolarHBondContact O-N 3.07Å; K526-H539 HydrophobicContact CG-CB 4.44Å; K526-R540 WeakPolarHBondContact CA-O 3.27Å |
| 527 | T | 83.5 | Confident | 85 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.8 | -175.2 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | R525 H539 R540 Q542 | R525-T527 HydrophobicContact CG-CG2 4.25Å; R525-T527 VanDerWaalsContact NH2-CG2 3.3Å; T527-H539 WeakPolarHBondContact O-CA 3.45Å; T527-R540 PolarHBondContact N-O 3.26Å; T527-R540 PolarHBondContact O-N 3.27Å; T527-Q542 PolarHBondContact OG1-NE2 3.38Å |
| 528 | G | 82.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 27% | 0.268 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S538 | G528-S538 CarbonylContact C-O 3.59Å; G528-S538 WeakPolarHBondContact CA-O 3.29Å |
| 529 | I | 82.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127 | 176.3 | -56.2 | 175 | 0 | 0 | 0 | 107.3 | A531 S538 R540 | I529-A531 PolarHBondContact O-N 3.24Å; I529-S538 PolarHBondContact N-O 3.18Å; I529-S538 PolarHBondContact O-N 3.42Å; I529-R540 HydrophobicContact CD1-CB 4.04Å |
| 530 | L | 80.4 | Confident | 83.5 | Confident | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 115.2 | 168.2 | -169.6 | 70.2 | 0 | 0 | 0 | 109.1 | T532 T586 | L530-T532 PolarHBondContact O-N 3.16Å; L530-T586 VanDerWaalsContact CB-O 3.28Å; L530-T586 WeakPolarHBondContact CB-O 3.28Å; L530-T586 PolarHBondContact N-O 2.97Å |
| 531 | A | 74.8 | Confident | 83.1 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I529 S533 G534 N535 W536 | I529-A531 PolarHBondContact O-N 3.24Å; A531-S533 PolarHBondContact O-N 2.82Å; A531-G534 PolarHBondContact O-N 2.78Å; A531-N535 WeakPolarHBondContact O-CA 3.36Å; A531-N535 PolarHBondContact O-N 3.29Å; A531-W536 PolarHBondContact N-O 3.5Å |
| 532 | T | 62.8 | Low | 82.7 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 63% | 0.632 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -31.2 | -173.8 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | L530 G534 Q619 | L530-T532 PolarHBondContact O-N 3.16Å; T532-G534 VanDerWaalsContact C-N 3.33Å; T532-Q619 VanDerWaalsContact CG2-OE1 3.23Å |
| 533 | S | 63.5 | Low | 82.5 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 78% | 0.776 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15 | -177.7 | 57.1 | 0 | 0 | 0 | 0 | 114 | A531 | A531-S533 PolarHBondContact O-N 2.82Š|
| 534 | G | 62.8 | Low | 82.4 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | -10.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116 | A531 T532 W536 | A531-G534 PolarHBondContact O-N 2.78Å; T532-G534 VanDerWaalsContact C-N 3.33Å; G534-W536 VanDerWaalsContact CA-CH2 3.4Å; G534-W536 WeakPolarHBondContact O-CZ3 3.34Å; G534-W536 PolarHBondContact O-N 2.97Å |
| 535 | N | 71 | Confident | 82.2 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.8 | -175.3 | -67.7 | -9.8 | 0 | 0 | 0 | 113.1 | A531 | A531-N535 WeakPolarHBondContact O-CA 3.36Å; A531-N535 PolarHBondContact O-N 3.29Å |
| 536 | W | 81.4 | Confident | 82.3 | Confident | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.1 | 175.6 | 50.9 | 66 | 0 | 0 | 0 | 111.6 | A531 G534 L828 W860 F867 | A531-W536 PolarHBondContact N-O 3.5Å; G534-W536 VanDerWaalsContact CA-CH2 3.4Å; G534-W536 WeakPolarHBondContact O-CZ3 3.34Å; G534-W536 PolarHBondContact O-N 2.97Å; W536-L828 HydrophobicContact CZ3-CD1 4.04Å; W536-W860 AromaticContact CD1-CG 3.73Å; W536-W860 HydrophobicContact CG-CB 4.09Å; W536-W860 AromaticContact NE1-CD1 3.76Å; W536-W860 AromaticContact NE1-CD2 3.9Å; W536-W860 AromaticContact NE1-CG 3.46Å; W536-F867 HydrophobicContact CB-CE1 3.8Å; W536-F867 HydrophobicContact CB-CZ 4.26Å; W536-F867 AromaticContact CD2-CE1 3.98Å; W536-F867 HydrophobicContact CD2-CE1 3.98Å; W536-F867 AromaticContact CD2-CZ 3.75Å; W536-F867 HydrophobicContact CD2-CZ 3.75Å; W536-F867 HydrophobicContact CE3-CE1 4.27Å; W536-F867 AromaticContact CE3-CZ 3.6Å; W536-F867 HydrophobicContact CE3-CZ 3.6Å; W536-F867 AromaticContact CG-CE1 3.78Å; W536-F867 HydrophobicContact CG-CE1 3.78Å; W536-F867 HydrophobicContact CG-CZ 4.05Å; W536-F867 HydrophobicContact CZ3-CZ 4.24Å |
| 537 | L | 86.8 | Confident | 82.1 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.8 | 175.2 | -174.8 | 64.2 | 0 | 0 | 0 | 110.1 | P588 I859 W860 | L537-P588 HydrophobicContact CD1-CG 4.33Å; L537-I859 WeakPolarHBondContact O-CA 3.45Å; L537-W860 PolarHBondContact O-N 3.15Å |
| 538 | S | 88 | Confident | 82.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.1 | 168.2 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | G528 I529 W860 | G528-S538 CarbonylContact C-O 3.59Å; G528-S538 WeakPolarHBondContact CA-O 3.29Å; I529-S538 PolarHBondContact N-O 3.18Å; I529-S538 PolarHBondContact O-N 3.42Å; S538-W860 PolarHBondContact OG-O 2.77Å |
| 539 | H | 84.4 | Confident | 82.9 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106.9 | 172.8 | -72.7 | 178.9 | 0 | 0 | 0 | 109.5 | K526 T527 I859 | K526-H539 HydrophobicContact CG-CB 4.44Å; T527-H539 WeakPolarHBondContact O-CA 3.45Å; H539-I859 HydrophobicContact CB-CG2 4.42Å |
| 540 | R | 84.3 | Confident | 83.2 | Confident | 107 Ų | 107 | 45.8 Ų | 45.8 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.1 | 177.3 | -177.9 | 177.6 | -71.7 | -176.3 | 1.8 | 110.8 | K526 T527 I529 E862 | K526-R540 WeakPolarHBondContact CA-O 3.27Å; T527-R540 PolarHBondContact N-O 3.26Å; T527-R540 PolarHBondContact O-N 3.27Å; I529-R540 HydrophobicContact CD1-CB 4.04Å; R540-E862 IonicContact CZ-OE1 3.8Å; R540-E862 IonicContact CZ-OE2 2.81Å; R540-E862 IonicContact NE-OE1 2.78Å; R540-E862 IonicContact NE-OE2 3.66Å; R540-E862 PolarHBondContact NE-OE2 2.85Å; R540-E862 IonicContact NH2-OE1 3.93Å; R540-E862 PolarHBondContact NH2-OE1 3.5Å; R540-E862 IonicContact NH2-OE2 3.83Å; R540-E862 PolarHBondContact NH2-OE2 2.93Å |
| 541 | Q | 89 | Confident | 83.5 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.8 | 164.4 | -177.7 | 158.3 | -54.8 | 0 | 0 | 109.1 | V426 P454 R525 | V426-Q541 PolarHBondContact O-NE2 2.7Å; P454-Q541 HydrophobicContact CB-CG 4.43Å; R525-Q541 WeakPolarHBondContact O-CA 3.34Å |
| 542 | Q | 89 | Confident | 84.3 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 29% | 0.29 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 168.5 | -177.8 | 59.1 | -176.7 | -7.3 | 0 | 0 | 110.6 | L524 R525 T527 | L524-Q542 WeakPolarHBondContact CA-O 3.07Å; R525-Q542 HydrophobicContact CG-CG 4.21Å; R525-Q542 PolarHBondContact N-O 3.11Å; R525-Q542 PolarHBondContact O-N 3.44Å; R525-Q542 VanDerWaalsContact O-O 3.14Å; T527-Q542 PolarHBondContact OG1-NE2 3.38Å |
| 543 | W | 93.4 | Very high | 85.6 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 22% | 0.223 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.9 | 169.6 | -65.9 | 115 | 0 | 0 | 0 | 111.2 | V426 L524 F568 D572 M576 | V426-W543 HydrophobicContact CB-CZ2 4.37Å; V426-W543 HydrophobicContact CG1-CH2 3.96Å; V426-W543 HydrophobicContact CG1-CZ2 3.73Å; V426-W543 HydrophobicContact CG2-CZ2 3.95Å; L524-W543 HydrophobicContact CD2-CD2 3.92Å; L524-W543 HydrophobicContact CD2-CE3 3.67Å; L524-W543 HydrophobicContact CD2-CH2 4.41Å; L524-W543 HydrophobicContact CD2-CZ3 3.93Å; L524-W543 HydrophobicContact CG-CE3 4.28Å; L524-W543 HydrophobicContact CG-CZ3 4.21Å; W543-F568 HydrophobicContact CH2-CB 3.64Å; W543-F568 HydrophobicContact CH2-CG 4.44Å; W543-F568 HydrophobicContact CZ3-CB 3.73Å; W543-F568 HydrophobicContact CZ3-CD1 4.13Å; W543-F568 HydrophobicContact CZ3-CG 4.04Å; W543-D572 HydrophobicContact CH2-CB 4.48Å; W543-D572 HydrophobicContact CZ2-CB 4.27Å; W543-M576 HydrophobicContact CB-CE 4.47Å; W543-M576 HydrophobicContact CB-CG 3.86Å; W543-M576 HydrophobicContact CB-SD 4.18Å; W543-M576 HydrophobicContact CD2-CE 3.72Å; W543-M576 HydrophobicContact CE3-CE 3.25Å; W543-M576 HydrophobicContact CE3-SD 4.27Å; W543-M576 HydrophobicContact CG-CE 4.26Å; W543-M576 HydrophobicContact CG-CG 4.18Å; W543-M576 HydrophobicContact CH2-CE 4.46Å; W543-M576 HydrophobicContact CZ3-CE 3.69Å |
| 544 | A | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 155.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G523 R525 Q549 | G523-A544 PolarHBondContact O-N 3.39Å; R525-A544 HydrophobicContact CB-CB 4.24Å; R525-A544 HydrophobicContact CG-CB 4.06Å; A544-Q549 PolarHBondContact O-NE2 3.46Å |
| 545 | S | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 160.9 | -174.9 | 62.3 | 0 | 0 | 0 | 0 | 112 | S547 S548 Q549 P577 E580 | S545-S547 PolarHBondContact O-N 2.7Å; S545-S547 PolarHBondContact OG-OG 2.95Å; S545-S548 WeakPolarHBondContact O-CA 3.36Å; S545-S548 VanDerWaalsContact O-CB 3.28Å; S545-S548 WeakPolarHBondContact O-CB 3.23Å; S545-S548 PolarHBondContact O-N 3.33Å; S545-S548 WeakPolarHBondContact OG-CB 3.38Å; S545-S548 PolarHBondContact OG-N 3.02Å; S545-S548 VanDerWaalsContact OG-N 3.07Å; S545-Q549 WeakPolarHBondContact O-CG 3.34Å; S545-Q549 PolarHBondContact O-N 3.26Å; S545-P577 CarbonylContact C-O 3.48Å; S545-P577 WeakPolarHBondContact CA-O 3.15Å; S545-P577 VanDerWaalsContact CB-O 3.29Å; S545-P577 WeakPolarHBondContact CB-O 3.39Å; S545-E580 WeakPolarHBondContact OG-CG 3.24Å |
| 546 | Q | 92.5 | Very high | 88.4 | Confident | 70 Ų | 70 | 32.3 Ų | 32.3 | 33% | 0.327 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 174.3 | -62.2 | -176.6 | 30.4 | 0 | 0 | 111.4 | S548 Q549 V550 L573 M576 P577 | Q546-S548 VanDerWaalsContact C-N 3.33Å; Q546-S548 PolarHBondContact O-N 3.09Å; Q546-Q549 WeakPolarHBondContact O-CB 3.39Å; Q546-Q549 PolarHBondContact O-N 3.17Å; Q546-Q549 VanDerWaalsContact O-N 3.14Å; Q546-V550 WeakPolarHBondContact O-CG2 3.44Å; Q546-V550 PolarHBondContact O-N 2.72Å; Q546-V550 VanDerWaalsContact O-N 3.08Å; Q546-L573 HydrophobicContact CG-CD1 4.19Å; Q546-M576 HydrophobicContact CG-CB 4.06Å; Q546-M576 PolarHBondContact NE2-O 2.74Å; Q546-P577 PolarHBondContact N-O 2.87Å |
| 547 | S | 86 | Confident | 88.2 | Confident | 18 Ų | 18 | 31 Ų | 31 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 172.8 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | S545 Q549 V550 Q551 E578 | S545-S547 PolarHBondContact O-N 2.7Å; S545-S547 PolarHBondContact OG-OG 2.95Å; S547-Q549 PolarHBondContact O-N 3.25Å; S547-V550 PolarHBondContact O-N 3.25Å; S547-Q551 WeakPolarHBondContact O-CG 3.36Å; S547-Q551 PolarHBondContact O-N 2.8Å; S547-Q551 VanDerWaalsContact O-N 3.1Å; S547-E578 WeakPolarHBondContact CB-O 3.45Å; S547-E578 PolarHBondContact N-O 3.27Å; S547-E578 PolarHBondContact OG-O 3.02Å |
| 548 | S | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | E508 S545 Q546 V550 Q551 R552 | E508-S548 WeakPolarHBondContact OE1-CA 3.44Å; E508-S548 WeakPolarHBondContact OE1-CB 3.23Å; E508-S548 PolarHBondContact OE1-OG 2.91Å; E508-S548 PolarHBondContact OE2-OG 3.38Å; S545-S548 WeakPolarHBondContact O-CA 3.36Å; S545-S548 VanDerWaalsContact O-CB 3.28Å; S545-S548 WeakPolarHBondContact O-CB 3.23Å; S545-S548 PolarHBondContact O-N 3.33Å; S545-S548 WeakPolarHBondContact OG-CB 3.38Å; S545-S548 PolarHBondContact OG-N 3.02Å; S545-S548 VanDerWaalsContact OG-N 3.07Å; Q546-S548 VanDerWaalsContact C-N 3.33Å; Q546-S548 PolarHBondContact O-N 3.09Å; S548-V550 VanDerWaalsContact C-N 3.29Å; S548-V550 PolarHBondContact O-N 3.41Å; S548-Q551 PolarHBondContact O-N 2.96Å; S548-Q551 VanDerWaalsContact O-N 3.12Å; S548-R552 WeakPolarHBondContact O-CG 3.12Å; S548-R552 PolarHBondContact O-N 3.45Å; S548-R552 PolarHBondContact OG-NE 2.61Å |
| 549 | Q | 92.8 | Very high | 86.4 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.1 | -51.3 | -47.8 | -26.5 | 0 | 0 | 112.2 | N521 G523 A544 S545 Q546 S547 R552 K553 F568 L573 M576 | N521-Q549 PolarHBondContact ND2-OE1 2.84Å; G523-Q549 PolarHBondContact O-NE2 3.45Å; G523-Q549 VanDerWaalsContact O-NE2 3.13Å; A544-Q549 PolarHBondContact O-NE2 3.46Å; S545-Q549 WeakPolarHBondContact O-CG 3.34Å; S545-Q549 PolarHBondContact O-N 3.26Å; Q546-Q549 WeakPolarHBondContact O-CB 3.39Å; Q546-Q549 PolarHBondContact O-N 3.17Å; Q546-Q549 VanDerWaalsContact O-N 3.14Å; S547-Q549 PolarHBondContact O-N 3.25Å; Q549-R552 PolarHBondContact O-N 3.13Å; Q549-K553 WeakPolarHBondContact O-CB 3.44Å; Q549-K553 PolarHBondContact O-N 2.89Å; Q549-F568 HydrophobicContact CG-CZ 4.11Å; Q549-L573 HydrophobicContact CB-CD1 4.14Å; Q549-L573 HydrophobicContact CG-CD1 3.73Å; Q549-M576 HydrophobicContact CG-SD 3.93Å; Q549-M576 PolarHBondContact NE2-SD 3.2Å; Q549-M576 VanDerWaalsContact NE2-SD 3.43Å |
| 550 | V | 88 | Confident | 86 | Confident | 73 Ų | 73 | 34.1 Ų | 34.1 | 44% | 0.442 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.3 | Q546 S547 S548 G554 | Q546-V550 WeakPolarHBondContact O-CG2 3.44Å; Q546-V550 PolarHBondContact O-N 2.72Å; Q546-V550 VanDerWaalsContact O-N 3.08Å; S547-V550 PolarHBondContact O-N 3.25Å; S548-V550 VanDerWaalsContact C-N 3.29Å; S548-V550 PolarHBondContact O-N 3.41Å; V550-G554 PolarHBondContact O-N 3.37Å |
| 551 | Q | 86.4 | Confident | 86 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 177.5 | -68.4 | 175.8 | 27.8 | 0 | 0 | 112.2 | E508 S547 S548 G554 | E508-Q551 HydrophobicContact CG-CB 3.8Å; E508-Q551 PolarHBondContact OE1-OE1 2.97Å; S547-Q551 WeakPolarHBondContact O-CG 3.36Å; S547-Q551 PolarHBondContact O-N 2.8Å; S547-Q551 VanDerWaalsContact O-N 3.1Å; S548-Q551 PolarHBondContact O-N 2.96Å; S548-Q551 VanDerWaalsContact O-N 3.12Å; Q551-G554 PolarHBondContact O-N 3.11Å |
| 552 | R | 92.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 175 | -69 | -179.5 | -177.1 | -167 | 1.7 | 111.6 | F452 E508 N521 L524 S548 Q549 G554 R555 | F452-R552 HydrophobicContact CD1-CG 3.99Å; F452-R552 HydrophobicContact CD2-CB 3.75Å; F452-R552 HydrophobicContact CD2-CG 3.74Å; F452-R552 HydrophobicContact CE1-CG 3.89Å; F452-R552 HydrophobicContact CE2-CB 3.52Å; F452-R552 HydrophobicContact CE2-CG 3.63Å; F452-R552 HydrophobicContact CG-CB 4.41Å; F452-R552 HydrophobicContact CG-CG 3.91Å; F452-R552 HydrophobicContact CZ-CB 4.02Å; F452-R552 HydrophobicContact CZ-CG 3.71Å; E508-R552 HydrophobicContact CG-CG 4.02Å; E508-R552 IonicContact OE2-NE 3.41Å; E508-R552 PolarHBondContact OE2-NE 3.49Å; E508-R552 IonicContact OE2-NH2 3.77Å; N521-R552 WeakPolarHBondContact OD1-CD 3.15Å; N521-R552 PolarHBondContact OD1-NH1 3.11Å; N521-R552 VanDerWaalsContact OD1-NH1 3.09Å; L524-R552 PolarHBondContact O-NH1 3.16Å; L524-R552 VanDerWaalsContact O-NH1 3.09Å; L524-R552 PolarHBondContact O-NH2 3.22Å; L524-R552 VanDerWaalsContact O-NH2 3.15Å; S548-R552 WeakPolarHBondContact O-CG 3.12Å; S548-R552 PolarHBondContact O-N 3.45Å; S548-R552 PolarHBondContact OG-NE 2.61Å; Q549-R552 PolarHBondContact O-N 3.13Å; R552-G554 VanDerWaalsContact C-N 3.31Å; R552-G554 PolarHBondContact O-N 3.41Å; R552-R555 WeakPolarHBondContact O-CB 3.35Å; R552-R555 WeakPolarHBondContact O-CG 3.02Å; R552-R555 PolarHBondContact O-N 3.3Å |
| 553 | K | 89.8 | Confident | 86.4 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 14% | 0.135 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 172.6 | 176.3 | 173.9 | 70.1 | -176.6 | 0 | 111.9 | V399 E401 Q549 R555 A556 C564 | V399-K553 HydrophobicContact CB-CG 4.26Å; V399-K553 HydrophobicContact CG1-CD 4.42Å; V399-K553 HydrophobicContact CG1-CG 3.88Å; E401-K553 HydrophobicContact CG-CD 3.45Å; E401-K553 VanDerWaalsContact CG-CD 3.45Å; E401-K553 HydrophobicContact CG-CG 4.49Å; E401-K553 IonicContact OE1-NZ 2.68Å; E401-K553 PolarHBondContact OE1-NZ 2.95Å; E401-K553 WeakPolarHBondContact OE2-CD 3.24Å; E401-K553 IonicContact OE2-NZ 3.31Å; E401-K553 PolarHBondContact OE2-NZ 3.42Å; Q549-K553 WeakPolarHBondContact O-CB 3.44Å; Q549-K553 PolarHBondContact O-N 2.89Å; K553-R555 PolarHBondContact O-N 3.04Å; K553-A556 PolarHBondContact O-N 2.93Å; K553-A556 VanDerWaalsContact O-N 3.07Å; K553-C564 HydrophobicContact CB-CB 4.47Å; K553-C564 HydrophobicContact CG-CB 4.06Å |
| 554 | G | 82.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 3.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V550 Q551 R552 A556 R558 | V550-G554 PolarHBondContact O-N 3.37Å; Q551-G554 PolarHBondContact O-N 3.11Å; R552-G554 VanDerWaalsContact C-N 3.31Å; R552-G554 PolarHBondContact O-N 3.41Å; G554-A556 CarbonylContact C-O 3.58Å; G554-R558 PolarHBondContact O-NE 2.81Å; G554-R558 VanDerWaalsContact O-NE 3.13Å |
| 555 | R | 86.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -24.1 | 169.6 | -60.1 | -71 | 150.2 | -174.2 | -18 | 112.5 | L450 F452 A507 E508 I511 I516 V519 R552 K553 R558 | L450-R555 HydrophobicContact CD2-CB 3.67Å; L450-R555 HydrophobicContact CD2-CG 3.76Å; F452-R555 HydrophobicContact CE2-CG 4.26Å; F452-R555 HydrophobicContact CZ-CG 4Å; A507-R555 WeakPolarHBondContact O-CD 3.48Å; A507-R555 PolarHBondContact O-NE 3.38Å; E508-R555 PolarHBondContact O-NE 3.44Å; E508-R555 PolarHBondContact O-NH2 3.1Å; I511-R555 PolarHBondContact O-NH1 3.31Å; I516-R555 WeakPolarHBondContact CG2-O 3.48Å; V519-R555 HydrophobicContact CG2-CB 3.99Å; R552-R555 WeakPolarHBondContact O-CB 3.35Å; R552-R555 WeakPolarHBondContact O-CG 3.02Å; R552-R555 PolarHBondContact O-N 3.3Å; K553-R555 PolarHBondContact O-N 3.04Å; R555-R558 VanDerWaalsContact NH2-NH2 3.2Å |
| 556 | A | 87.3 | Confident | 87 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -87 | 165 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V399 V519 K553 G554 | V399-A556 HydrophobicContact CG1-CB 3.98Å; V399-A556 HydrophobicContact CG2-CB 4.07Å; V399-A556 WeakPolarHBondContact CG2-O 3.35Å; V519-A556 HydrophobicContact CG2-CB 3.96Å; K553-A556 PolarHBondContact O-N 2.93Å; K553-A556 VanDerWaalsContact O-N 3.07Å; G554-A556 CarbonylContact C-O 3.58Å |
| 557 | G | 77.6 | Confident | 87.2 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 81.9 | 11.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C560 | G557-C560 CarbonylContact C-O 3.46Å; G557-C560 WeakPolarHBondContact CA-O 3.42Å |
| 558 | R | 69.4 | Low | 87.6 | Confident | 38 Ų | 38 | 26 Ų | 26 | 14% | 0.143 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -82.6 | -44.8 | -174 | -69.9 | -176.7 | 172.6 | -166.9 | -8.8 | 113.9 | L396 G554 R555 | L396-R558 WeakPolarHBondContact CD1-O 3.45Å; G554-R558 PolarHBondContact O-NE 2.81Å; G554-R558 VanDerWaalsContact O-NE 3.13Å; R555-R558 VanDerWaalsContact NH2-NH2 3.2Å |
| 559 | H | 67.4 | Low | 87.7 | Confident | 100 Ų | 100 | 27 Ų | 27 | 46% | 0.463 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -112.3 | -22.8 | -179.1 | -64.4 | 91.3 | 0 | 0 | 0 | 112.6 | Y397 | Y397-H559 WeakPolarHBondContact CE2-O 3.22Š|
| 560 | C | 75.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -156.1 | 170.7 | 180 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | G557 | G557-C560 CarbonylContact C-O 3.46Å; G557-C560 WeakPolarHBondContact CA-O 3.42Å |
| 561 | E | 84.4 | Confident | 88 | Confident | 138 Ų | 138 | 37 Ų | 37 | 65% | 0.645 | 18% | 0.177 | S | C | * | . | trans | -53.2 | 134.6 | 170.9 | -66 | 172.6 | 178.5 | 0 | 0 | 111.4 | R517 | R517-E561 PolarHBondContact NE-O 3.01Š| ||
| 562 | G | 91.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V399 D400 R517 | V399-G562 WeakPolarHBondContact CA-O 3.26Å; D400-G562 PolarHBondContact N-O 3.29Å; R517-G562 CarbonylContact O-C 3.56Å; R517-G562 WeakPolarHBondContact O-CA 3.31Å |
| 563 | E | 95.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.2 | -175.3 | -56.9 | 174.7 | -167.6 | 0 | 0 | 110.6 | D400 Y402 K444 R517 Y518 V519 Y565 | D400-E563 HydrophobicContact CB-CG 4.34Å; D400-E563 CarbonylContact O-C 3.54Å; D400-E563 WeakPolarHBondContact O-CA 3.42Å; Y402-E563 HydrophobicContact CE2-CB 4.22Å; Y402-E563 HydrophobicContact CE2-CG 4.29Å; K444-E563 VanDerWaalsContact CE-OE2 3.23Å; K444-E563 WeakPolarHBondContact CE-OE2 3.42Å; K444-E563 IonicContact NZ-OE1 2.65Å; K444-E563 PolarHBondContact NZ-OE1 3.18Å; K444-E563 IonicContact NZ-OE2 2.67Å; K444-E563 PolarHBondContact NZ-OE2 2.59Å; R517-E563 PolarHBondContact O-N 3.39Å; Y518-E563 CarbonylContact C-O 3.53Å; Y518-E563 WeakPolarHBondContact CA-O 3.29Å; Y518-E563 HydrophobicContact CD1-CB 4.04Å; Y518-E563 HydrophobicContact CD1-CG 4.36Å; Y518-E563 HydrophobicContact CE1-CB 4.4Å; Y518-E563 HydrophobicContact CE1-CG 4.22Å; V519-E563 PolarHBondContact N-O 3.35Å; E563-Y565 HydrophobicContact CB-CE2 3.8Å; E563-Y565 WeakPolarHBondContact OE2-CE2 3.33Å; E563-Y565 PolarHBondContact OE2-OH 2.98Å |
| 564 | C | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.6 | 177.9 | -172.6 | 0 | 0 | 0 | 0 | 111 | V399 D400 E401 Y402 V519 K553 H566 | V399-C564 HydrophobicContact CG1-CB 3.96Å; D400-C564 PolarHBondContact O-N 2.69Å; E401-C564 WeakPolarHBondContact CA-O 3.32Å; Y402-C564 PolarHBondContact N-O 3.19Å; V519-C564 HydrophobicContact CB-CB 4.32Å; V519-C564 CarbonylContact O-C 3.53Å; V519-C564 WeakPolarHBondContact O-CA 3.4Å; K553-C564 HydrophobicContact CB-CB 4.47Å; K553-C564 HydrophobicContact CG-CB 4.06Å; C564-H566 PolarHBondContact SG-CE1 2.79Å; C564-H566 PolarHBondContact SG-NE2 3.49Å |
| 565 | Y | 98 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 99.3 | -177.5 | -67.1 | -97.7 | 0 | 0 | 0 | 109.6 | Y402 I407 V436 W439 I440 K444 Y518 V519 N521 E563 | Y402-Y565 HydrophobicContact CD2-CD1 4.08Å; Y402-Y565 AromaticContact CD2-CE1 3.73Å; Y402-Y565 HydrophobicContact CD2-CE1 3.73Å; Y402-Y565 HydrophobicContact CD2-CE2 4.27Å; Y402-Y565 AromaticContact CD2-CZ 3.81Å; Y402-Y565 HydrophobicContact CE2-CE1 4.31Å; Y402-Y565 HydrophobicContact CG-CE1 4.32Å; I407-Y565 HydrophobicContact CD1-CD1 4.32Å; I407-Y565 HydrophobicContact CG1-CD1 4.12Å; I407-Y565 HydrophobicContact CG2-CD1 4.19Å; V436-Y565 HydrophobicContact CG1-CD1 4.43Å; V436-Y565 HydrophobicContact CG1-CG 4.43Å; W439-Y565 HydrophobicContact CZ3-CE1 4.18Å; I440-Y565 HydrophobicContact CD1-CD2 3.69Å; I440-Y565 HydrophobicContact CD1-CE2 3.72Å; I440-Y565 HydrophobicContact CD1-CG 4.21Å; I440-Y565 HydrophobicContact CG1-CD2 4.5Å; I440-Y565 HydrophobicContact CG1-CE2 4.08Å; K444-Y565 WeakPolarHBondContact CE-OH 3.31Å; K444-Y565 PolarHBondContact NZ-OH 3.05Å; Y518-Y565 HydrophobicContact CD1-CE2 4.37Å; V519-Y565 PolarHBondContact O-N 2.91Å; N521-Y565 PolarHBondContact N-O 3.26Å; E563-Y565 HydrophobicContact CB-CE2 3.8Å; E563-Y565 WeakPolarHBondContact OE2-CE2 3.33Å; E563-Y565 PolarHBondContact OE2-OH 2.98Å |
| 566 | H | 97.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 109.3 | 177.9 | -64.4 | -75.5 | 0 | 0 | 0 | 111 | E401 Y402 F403 M404 I407 N521 C564 F568 | E401-H566 IonicContact OE2-NE2 3.74Å; Y402-H566 WeakPolarHBondContact O-CB 3.42Å; Y402-H566 PolarHBondContact O-N 3.3Å; F403-H566 HydrophobicContact CD1-CB 3.57Å; F403-H566 HydrophobicContact CE1-CB 3.74Å; F403-H566 AromaticContact CE1-CD2 3.6Å; F403-H566 AromaticContact CE1-CG 3.66Å; F403-H566 AromaticContact CE2-CD2 3.93Å; F403-H566 HydrophobicContact CG-CB 4.18Å; F403-H566 HydrophobicContact CZ-CB 4.47Å; F403-H566 AromaticContact CZ-CD2 3.47Å; F403-H566 VanDerWaalsContact CZ-CD2 3.47Å; F403-H566 WeakPolarHBondContact CZ-CD2 3.37Å; M404-H566 PolarHBondContact N-O 3.13Å; I407-H566 WeakPolarHBondContact CD1-O 3.21Å; N521-H566 PolarHBondContact ND2-ND1 2.7Å; C564-H566 PolarHBondContact SG-CE1 2.79Å; C564-H566 PolarHBondContact SG-NE2 3.49Å; H566-F568 HydrophobicContact CB-CD1 4.11Å; H566-F568 HydrophobicContact CB-CD2 4.3Å; H566-F568 HydrophobicContact CB-CE1 3.76Å; H566-F568 HydrophobicContact CB-CE2 3.97Å; H566-F568 HydrophobicContact CB-CG 4.38Å; H566-F568 HydrophobicContact CB-CZ 3.72Å; H566-F568 AromaticContact CG-CZ 3.71Å; H566-F568 AromaticContact ND1-CE1 3.57Å; H566-F568 AromaticContact ND1-CZ 3.16Å; H566-F568 WeakPolarHBondContact ND1-CZ 3.42Å; H566-F568 PolarHBondContact O-N 3.02Å; H566-F568 VanDerWaalsContact O-O 3.13Å |
| 567 | I | 95.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -79.8 | 50.2 | 177.9 | -49.9 | 175 | 0 | 0 | 0 | 109.9 | F432 V433 V520 N521 T522 | F432-I567 HydrophobicContact CD1-CD1 4.49Å; F432-I567 HydrophobicContact CD1-CG2 3.74Å; F432-I567 HydrophobicContact CE1-CG1 4.48Å; F432-I567 HydrophobicContact CE1-CG2 3.84Å; V433-I567 HydrophobicContact CB-CD1 4.3Å; V433-I567 HydrophobicContact CG2-CD1 3.52Å; V520-I567 HydrophobicContact CG1-CD1 3.67Å; V520-I567 HydrophobicContact CG1-CG1 4.41Å; N521-I567 PolarHBondContact O-N 2.95Å; T522-I567 HydrophobicContact CG2-CD1 4.36Å |
| 568 | F | 94.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -162.3 | 160.9 | 176.4 | 53.2 | -92.2 | 0 | 0 | 0 | 108.4 | F403 M404 W543 Q549 H566 D572 L573 M576 | F403-F568 HydrophobicContact CD1-CD2 4.39Å; F403-F568 HydrophobicContact CD1-CE2 4.3Å; F403-F568 HydrophobicContact CE1-CD2 4.49Å; F403-F568 AromaticContact CE1-CE2 3.98Å; F403-F568 HydrophobicContact CE1-CE2 3.98Å; M404-F568 PolarHBondContact N-O 2.69Å; W543-F568 HydrophobicContact CH2-CB 3.64Å; W543-F568 HydrophobicContact CH2-CG 4.44Å; W543-F568 HydrophobicContact CZ3-CB 3.73Å; W543-F568 HydrophobicContact CZ3-CD1 4.13Å; W543-F568 HydrophobicContact CZ3-CG 4.04Å; Q549-F568 HydrophobicContact CG-CZ 4.11Å; H566-F568 HydrophobicContact CB-CD1 4.11Å; H566-F568 HydrophobicContact CB-CD2 4.3Å; H566-F568 HydrophobicContact CB-CE1 3.76Å; H566-F568 HydrophobicContact CB-CE2 3.97Å; H566-F568 HydrophobicContact CB-CG 4.38Å; H566-F568 HydrophobicContact CB-CZ 3.72Å; H566-F568 AromaticContact CG-CZ 3.71Å; H566-F568 AromaticContact ND1-CE1 3.57Å; H566-F568 AromaticContact ND1-CZ 3.16Å; H566-F568 WeakPolarHBondContact ND1-CZ 3.42Å; H566-F568 PolarHBondContact O-N 3.02Å; H566-F568 VanDerWaalsContact O-O 3.13Å; F568-D572 HydrophobicContact CB-CB 4.18Å; F568-L573 HydrophobicContact CD2-CB 4.39Å; F568-L573 HydrophobicContact CE2-CB 4.07Å; F568-L573 HydrophobicContact CE2-CD1 4.19Å; F568-M576 HydrophobicContact CD1-CE 4.4Å; F568-M576 HydrophobicContact CD2-CE 3.55Å; F568-M576 HydrophobicContact CE2-CE 3.68Å; F568-M576 HydrophobicContact CG-CE 3.93Å; F568-M576 HydrophobicContact CZ-CE 4.15Å |
| 569 | S | 93.5 | Very high | 91 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | trans | -84.8 | 164.9 | -178.1 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | M404 E571 D572 L573 | M404-S569 WeakPolarHBondContact O-CA 3.29Å; S569-E571 PolarHBondContact O-N 2.97Å; S569-E571 PolarHBondContact OG-N 3.18Å; S569-D572 WeakPolarHBondContact CB-OD2 3.39Å; S569-D572 PolarHBondContact N-OD2 3.08Å; S569-D572 PolarHBondContact O-N 3.31Å; S569-D572 VanDerWaalsContact O-N 3.17Å; S569-D572 PolarHBondContact OG-N 2.89Å; S569-D572 VanDerWaalsContact OG-N 3.07Å; S569-D572 PolarHBondContact OG-OD2 3.32Å; S569-L573 PolarHBondContact O-N 2.9Å; S569-L573 VanDerWaalsContact O-N 3.09Å | ||
| 570 | R | 94.8 | Very high | 91.9 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.2 | -29.7 | 170.1 | -66.3 | -176.3 | -175.6 | -86 | -0.4 | 112.2 | F403 L573 A574 | F403-R570 HydrophobicContact CB-CG 4.17Å; F403-R570 HydrophobicContact CD1-CG 3.98Å; F403-R570 HydrophobicContact CD2-CG 3.94Å; F403-R570 VanDerWaalsContact CD2-CZ 3.47Å; F403-R570 HydrophobicContact CE1-CG 4.38Å; F403-R570 HydrophobicContact CE2-CG 4.33Å; F403-R570 VanDerWaalsContact CE2-CZ 3.48Å; F403-R570 HydrophobicContact CG-CG 3.75Å; R570-L573 PolarHBondContact O-N 3.48Å; R570-A574 PolarHBondContact O-N 3.3Å; R570-A574 VanDerWaalsContact O-N 3.12Å |
| 571 | E | 92.5 | Very high | 92.4 | Very high | 140 Ų | 140 | 59.6 Ų | 59.6 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.6 | -37.9 | 174.4 | -62.9 | -178.1 | -171.9 | 0 | 0 | 111.7 | S569 A574 K575 | S569-E571 PolarHBondContact O-N 2.97Å; S569-E571 PolarHBondContact OG-N 3.18Å; E571-A574 PolarHBondContact O-N 3.24Å; E571-K575 WeakPolarHBondContact O-CG 3.46Å; E571-K575 PolarHBondContact O-N 3.48Å |
| 572 | D | 93.1 | Very high | 92.6 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 174.9 | -60 | -46.9 | 0 | 0 | 0 | 110.4 | W543 F568 S569 A574 K575 M576 | W543-D572 HydrophobicContact CH2-CB 4.48Å; W543-D572 HydrophobicContact CZ2-CB 4.27Å; F568-D572 HydrophobicContact CB-CB 4.18Å; S569-D572 WeakPolarHBondContact CB-OD2 3.39Å; S569-D572 PolarHBondContact N-OD2 3.08Å; S569-D572 PolarHBondContact O-N 3.31Å; S569-D572 VanDerWaalsContact O-N 3.17Å; S569-D572 PolarHBondContact OG-N 2.89Å; S569-D572 VanDerWaalsContact OG-N 3.07Å; S569-D572 PolarHBondContact OG-OD2 3.32Å; D572-A574 VanDerWaalsContact C-N 3.28Å; D572-A574 PolarHBondContact O-N 3.37Å; D572-K575 WeakPolarHBondContact O-CB 3.33Å; D572-K575 PolarHBondContact O-N 3.24Å; D572-M576 HydrophobicContact CB-CE 4.34Å; D572-M576 VanDerWaalsContact O-CG 3.29Å; D572-M576 WeakPolarHBondContact O-CG 3.48Å; D572-M576 PolarHBondContact O-N 2.93Å |
| 573 | L | 94.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.9 | -44.9 | 175.8 | -179.5 | 62.8 | 0 | 0 | 0 | 111.9 | F403 Q546 Q549 F568 S569 R570 K575 M576 | F403-L573 HydrophobicContact CE1-CD2 4.01Å; F403-L573 HydrophobicContact CZ-CD2 4.2Å; Q546-L573 HydrophobicContact CG-CD1 4.19Å; Q549-L573 HydrophobicContact CB-CD1 4.14Å; Q549-L573 HydrophobicContact CG-CD1 3.73Å; F568-L573 HydrophobicContact CD2-CB 4.39Å; F568-L573 HydrophobicContact CE2-CB 4.07Å; F568-L573 HydrophobicContact CE2-CD1 4.19Å; S569-L573 PolarHBondContact O-N 2.9Å; S569-L573 VanDerWaalsContact O-N 3.09Å; R570-L573 PolarHBondContact O-N 3.48Å; L573-K575 PolarHBondContact O-N 3.27Å; L573-M576 HydrophobicContact CD1-SD 4.1Å; L573-M576 WeakPolarHBondContact O-CB 3.43Å; L573-M576 PolarHBondContact O-N 3.14Å; L573-M576 VanDerWaalsContact O-N 3.14Å |
| 574 | A | 94.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.7 | -22.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R570 E571 D572 | R570-A574 PolarHBondContact O-N 3.3Å; R570-A574 VanDerWaalsContact O-N 3.12Å; E571-A574 PolarHBondContact O-N 3.24Å; D572-A574 VanDerWaalsContact C-N 3.28Å; D572-A574 PolarHBondContact O-N 3.37Å |
| 575 | K | 92.7 | Very high | 92 | Very high | 153 Ų | 153 | 57.2 Ų | 57.2 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -89 | -12.5 | 176.1 | -65.3 | 167 | -169.1 | 164 | 0 | 113 | E571 D572 L573 | E571-K575 WeakPolarHBondContact O-CG 3.46Å; E571-K575 PolarHBondContact O-N 3.48Å; D572-K575 WeakPolarHBondContact O-CB 3.33Å; D572-K575 PolarHBondContact O-N 3.24Å; L573-K575 PolarHBondContact O-N 3.27Å |
| 576 | M | 93.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -69.9 | 146.2 | 177.6 | -56.6 | -173.6 | -171.1 | 0 | 0 | 110.3 | W543 Q546 Q549 F568 D572 L573 | W543-M576 HydrophobicContact CB-CE 4.47Å; W543-M576 HydrophobicContact CB-CG 3.86Å; W543-M576 HydrophobicContact CB-SD 4.18Å; W543-M576 HydrophobicContact CD2-CE 3.72Å; W543-M576 HydrophobicContact CE3-CE 3.25Å; W543-M576 HydrophobicContact CE3-SD 4.27Å; W543-M576 HydrophobicContact CG-CE 4.26Å; W543-M576 HydrophobicContact CG-CG 4.18Å; W543-M576 HydrophobicContact CH2-CE 4.46Å; W543-M576 HydrophobicContact CZ3-CE 3.69Å; Q546-M576 HydrophobicContact CG-CB 4.06Å; Q546-M576 PolarHBondContact NE2-O 2.74Å; Q549-M576 HydrophobicContact CG-SD 3.93Å; Q549-M576 PolarHBondContact NE2-SD 3.2Å; Q549-M576 VanDerWaalsContact NE2-SD 3.43Å; F568-M576 HydrophobicContact CD1-CE 4.4Å; F568-M576 HydrophobicContact CD2-CE 3.55Å; F568-M576 HydrophobicContact CE2-CE 3.68Å; F568-M576 HydrophobicContact CG-CE 3.93Å; F568-M576 HydrophobicContact CZ-CE 4.15Å; D572-M576 HydrophobicContact CB-CE 4.34Å; D572-M576 VanDerWaalsContact O-CG 3.29Å; D572-M576 WeakPolarHBondContact O-CG 3.48Å; D572-M576 PolarHBondContact O-N 2.93Å; L573-M576 HydrophobicContact CD1-SD 4.1Å; L573-M576 WeakPolarHBondContact O-CB 3.43Å; L573-M576 PolarHBondContact O-N 3.14Å; L573-M576 VanDerWaalsContact O-N 3.14Å |
| 577 | P | 91.2 | Very high | 91.1 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -62.2 | 146.8 | 174.5 | 28 | -34.9 | 0 | 0 | 0 | 110.6 | S545 Q546 | S545-P577 CarbonylContact C-O 3.48Å; S545-P577 WeakPolarHBondContact CA-O 3.15Å; S545-P577 VanDerWaalsContact CB-O 3.29Å; S545-P577 WeakPolarHBondContact CB-O 3.39Å; Q546-P577 PolarHBondContact N-O 2.87Å | ||
| 578 | E | 89 | Confident | 90.9 | Very high | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -64.1 | -43.5 | -179.4 | -167 | -179.3 | 175 | 0 | 0 | 111.8 | S547 | S547-E578 WeakPolarHBondContact CB-O 3.45Å; S547-E578 PolarHBondContact N-O 3.27Å; S547-E578 PolarHBondContact OG-O 3.02Å |
| 579 | F | 86 | Confident | 90.8 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 45% | 0.452 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -128.4 | 156.5 | 179.3 | -55.3 | -71 | 0 | 0 | 0 | 111.4 | I375 | I375-F579 HydrophobicContact CD1-CE1 4.46Å; I375-F579 HydrophobicContact CG2-CD1 4.13Å; I375-F579 HydrophobicContact CG2-CE1 3.5Å; I375-F579 VanDerWaalsContact CG2-CE1 3.5Å; I375-F579 HydrophobicContact CG2-CZ 4.27Å |
| 580 | E | 86 | Confident | 90.8 | Very high | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -78 | 147 | 172.6 | -54.9 | -162.9 | 155.9 | 0 | 0 | 110.5 | R525 S545 P582 | R525-E580 WeakPolarHBondContact CD-OE1 3.37Å; R525-E580 IonicContact CZ-OE1 3.52Å; R525-E580 IonicContact CZ-OE2 3.3Å; R525-E580 IonicContact NE-OE1 2.63Å; R525-E580 PolarHBondContact NE-OE1 3.38Å; R525-E580 IonicContact NE-OE2 3.15Å; R525-E580 PolarHBondContact NE-OE2 2.94Å; R525-E580 IonicContact NH1-OE1 3.06Å; R525-E580 IonicContact NH1-OE2 2.76Å; R525-E580 IonicContact NH2-OE1 3.19Å; R525-E580 IonicContact NH2-OE2 2.81Å; R525-E580 PolarHBondContact NH2-OE2 3.06Å; S545-E580 WeakPolarHBondContact OG-CG 3.24Å; E580-P582 WeakPolarHBondContact O-CD 3.41Å |
| 581 | T | 86.5 | Confident | 90.9 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 127 | 166.7 | -50.1 | 0 | 0 | 0 | 0 | 109.2 | Q585 T586 | T581-Q585 HydrophobicContact CG2-CB 4.09Å; T581-T586 HydrophobicContact CG2-CG2 3.77Å |
| 582 | P | 88.1 | Confident | 91 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 140.6 | 178.5 | -29 | 36.1 | 0 | 0 | 0 | 112.8 | R345 E580 I584 Q585 D614 | R345-P582 HydrophobicContact CB-CB 4.33Å; E580-P582 WeakPolarHBondContact O-CD 3.41Å; P582-I584 HydrophobicContact CB-CG2 4.07Å; P582-I584 PolarHBondContact O-N 2.92Å; P582-Q585 PolarHBondContact O-N 3.35Å; P582-D614 HydrophobicContact CG-CB 4.22Å |
| 583 | A | 88.5 | Confident | 91.2 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -32.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I347 Q585 T586 A587 | I347-A583 HydrophobicContact CB-CB 4.43Å; A583-Q585 PolarHBondContact O-N 3.34Å; A583-Q585 VanDerWaalsContact O-N 3.13Å; A583-T586 PolarHBondContact O-N 2.82Å; A583-A587 WeakPolarHBondContact O-CB 3.41Å; A583-A587 PolarHBondContact O-N 2.74Å |
| 584 | I | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -20.6 | 177 | -162.2 | 166.7 | 0 | 0 | 0 | 113.8 | I347 D350 P582 L589 L592 C612 D614 P616 | I347-I584 HydrophobicContact CD1-CB 4.5Å; I347-I584 HydrophobicContact CD1-CG1 4.46Å; I347-I584 HydrophobicContact CG1-CB 3.95Å; I347-I584 HydrophobicContact CG1-CG1 4Å; D350-I584 HydrophobicContact CB-CD1 4.06Å; P582-I584 HydrophobicContact CB-CG2 4.07Å; P582-I584 PolarHBondContact O-N 2.92Å; I584-L589 WeakPolarHBondContact O-CD2 3.45Å; I584-L592 HydrophobicContact CD1-CD2 3.86Å; I584-L592 HydrophobicContact CG1-CD2 3.86Å; I584-C612 HydrophobicContact CD1-CB 4.18Å; I584-D614 WeakPolarHBondContact CG2-O 3.23Å; I584-P616 HydrophobicContact CD1-CG 3.92Å; I584-P616 HydrophobicContact CG1-CB 3.96Å; I584-P616 HydrophobicContact CG1-CG 3.76Å; I584-P616 WeakPolarHBondContact O-CA 3.16Å; I584-P616 WeakPolarHBondContact O-CB 3.27Å |
| 585 | Q | 91 | Very high | 91.5 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -90.4 | -20.3 | -179.7 | -67 | -177.6 | -22.3 | 0 | 0 | 113.5 | T581 P582 A583 P615 S617 | T581-Q585 HydrophobicContact CG2-CB 4.09Å; P582-Q585 PolarHBondContact O-N 3.35Å; A583-Q585 PolarHBondContact O-N 3.34Å; A583-Q585 VanDerWaalsContact O-N 3.13Å; Q585-P615 WeakPolarHBondContact CG-O 3.49Å; Q585-P615 PolarHBondContact NE2-O 3.49Å; Q585-S617 WeakPolarHBondContact O-CB 3.43Å; Q585-S617 PolarHBondContact O-OG 3.26Å; Q585-S617 VanDerWaalsContact O-OG 3.07Å |
| 586 | T | 87.8 | Confident | 91.8 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -123.2 | -18.8 | -169.6 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | L530 T581 A583 | L530-T586 VanDerWaalsContact CB-O 3.28Å; L530-T586 WeakPolarHBondContact CB-O 3.28Å; L530-T586 PolarHBondContact N-O 2.97Å; T581-T586 HydrophobicContact CG2-CG2 3.77Å; A583-T586 PolarHBondContact O-N 2.82Å |
| 587 | A | 88.7 | Confident | 91.9 | Very high | 24 Ų | 24 | 40 Ų | 40 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.1 | 158.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I347 A583 L589 | I347-A587 HydrophobicContact CD1-CB 4.11Å; A583-A587 WeakPolarHBondContact O-CB 3.41Å; A583-A587 PolarHBondContact O-N 2.74Å; A587-L589 WeakPolarHBondContact O-CD2 3.13Å; A587-L589 WeakPolarHBondContact O-CG 3.49Å |
| 588 | P | 90.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | trans | -59.4 | 135.2 | 165.4 | -20.5 | 33 | 0 | 0 | 0 | 111.3 | L537 E590 | L537-P588 HydrophobicContact CD1-CG 4.33Å; P588-E590 VanDerWaalsContact CB-OE1 3.23Å; P588-E590 WeakPolarHBondContact CB-OE1 3.35Å; P588-E590 WeakPolarHBondContact CB-OE2 3.27Å | ||
| 589 | L | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -110.1 | -1.1 | -167.6 | -57.3 | -177.5 | 0 | 0 | 0 | 114.1 | I347 I584 A587 R591 L592 L593 P616 L621 A624 | I347-L589 HydrophobicContact CD1-CD2 3.64Å; I584-L589 WeakPolarHBondContact O-CD2 3.45Å; A587-L589 WeakPolarHBondContact O-CD2 3.13Å; A587-L589 WeakPolarHBondContact O-CG 3.49Å; L589-R591 VanDerWaalsContact C-N 3.34Å; L589-R591 PolarHBondContact O-N 3.17Å; L589-L592 HydrophobicContact CD2-CD2 4.15Å; L589-L592 WeakPolarHBondContact O-CB 3.41Å; L589-L592 PolarHBondContact O-N 2.87Å; L589-L592 VanDerWaalsContact O-N 3.08Å; L589-L593 VanDerWaalsContact O-CB 3.29Å; L589-L593 WeakPolarHBondContact O-CB 3.34Å; L589-L593 PolarHBondContact O-N 3.08Å; L589-P616 HydrophobicContact CD1-CB 3.47Å; L589-P616 VanDerWaalsContact CD1-CB 3.47Å; L589-P616 HydrophobicContact CD1-CG 4.35Å; L589-L621 HydrophobicContact CD1-CD2 3.77Å; L589-L621 HydrophobicContact CD1-CG 3.95Å; L589-A624 HydrophobicContact CB-CB 3.84Å | ||
| 590 | E | 94.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 12% | 0.121 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | -175.7 | 55.9 | -81.1 | -177.7 | 0 | 0 | 113.2 | P588 L594 A624 L627 L628 H653 P654 | P588-E590 VanDerWaalsContact CB-OE1 3.23Å; P588-E590 WeakPolarHBondContact CB-OE1 3.35Å; P588-E590 WeakPolarHBondContact CB-OE2 3.27Å; E590-L594 WeakPolarHBondContact O-CB 3.48Å; E590-L594 PolarHBondContact O-N 2.97Å; E590-L594 VanDerWaalsContact O-N 3.14Å; E590-A624 HydrophobicContact CB-CB 4.2Å; E590-L627 HydrophobicContact CB-CD2 3.84Å; E590-L627 HydrophobicContact CG-CD2 3.77Å; E590-L628 HydrophobicContact CB-CD2 4.15Å; E590-L628 HydrophobicContact CB-CG 4.28Å; E590-H653 IonicContact OE1-NE2 2.76Å; E590-H653 PolarHBondContact OE1-NE2 3.04Å; E590-P654 HydrophobicContact CG-CG 4.49Å |
| 591 | R | 95.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 32 Ų | 32 | 37% | 0.37 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 173.2 | -73.2 | -169.9 | 175.5 | 105 | -14 | 111.6 | L589 L593 L594 M595 H653 E680 | L589-R591 VanDerWaalsContact C-N 3.34Å; L589-R591 PolarHBondContact O-N 3.17Å; R591-L593 VanDerWaalsContact C-N 3.34Å; R591-L593 PolarHBondContact O-N 3.19Å; R591-L594 PolarHBondContact O-N 2.76Å; R591-M595 WeakPolarHBondContact O-CB 3.2Å; R591-M595 WeakPolarHBondContact O-CG 3.4Å; R591-M595 PolarHBondContact O-N 3.13Å; R591-H653 VanDerWaalsContact CZ-CD2 3.44Å; R591-H653 PolarHBondContact NH1-CD2 2.85Å; R591-E680 IonicContact CZ-OE2 2.85Å; R591-E680 IonicContact NH2-OE1 3.39Å; R591-E680 PolarHBondContact NH2-OE1 3.1Å; R591-E680 IonicContact NH2-OE2 3.92Å; R591-E680 PolarHBondContact NH2-OE2 2.98Å |
| 592 | L | 96 | Very high | 93.5 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | -179.3 | -170.1 | 73.4 | 0 | 0 | 0 | 111 | I347 L348 L351 I584 L589 M595 T596 L609 | I347-L592 HydrophobicContact CD1-CB 4.44Å; I347-L592 HydrophobicContact CD1-CD2 3.94Å; I347-L592 HydrophobicContact CG1-CD1 3.99Å; I347-L592 HydrophobicContact CG1-CD2 3.76Å; I347-L592 HydrophobicContact CG1-CG 4.38Å; L348-L592 HydrophobicContact CD2-CD1 4.04Å; L351-L592 HydrophobicContact CB-CD1 3.9Å; L351-L592 HydrophobicContact CD2-CD1 3.69Å; L351-L592 HydrophobicContact CD2-CG 4.49Å; L351-L592 HydrophobicContact CG-CD1 4.39Å; I584-L592 HydrophobicContact CD1-CD2 3.86Å; I584-L592 HydrophobicContact CG1-CD2 3.86Å; L589-L592 HydrophobicContact CD2-CD2 4.15Å; L589-L592 WeakPolarHBondContact O-CB 3.41Å; L589-L592 PolarHBondContact O-N 2.87Å; L589-L592 VanDerWaalsContact O-N 3.08Å; L592-M595 PolarHBondContact O-N 3.32Å; L592-T596 WeakPolarHBondContact O-CB 3.26Å; L592-T596 PolarHBondContact O-N 3.13Å; L592-T596 PolarHBondContact O-OG1 2.65Å; L592-L609 HydrophobicContact CD2-CD1 4.13Å; L592-L609 HydrophobicContact CD2-CD2 3.75Å; L592-L609 HydrophobicContact CG-CD1 4.41Å; L592-L609 HydrophobicContact CG-CD2 4.07Å |
| 593 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -43.4 | -178.5 | -169.7 | 66 | 0 | 0 | 0 | 111.2 | L589 R591 T596 K597 P605 L606 L609 L621 A624 R625 L628 F634 | L589-L593 VanDerWaalsContact O-CB 3.29Å; L589-L593 WeakPolarHBondContact O-CB 3.34Å; L589-L593 PolarHBondContact O-N 3.08Å; R591-L593 VanDerWaalsContact C-N 3.34Å; R591-L593 PolarHBondContact O-N 3.19Å; L593-T596 PolarHBondContact O-N 3.3Å; L593-K597 PolarHBondContact O-N 3.03Å; L593-P605 HydrophobicContact CD1-CB 3.77Å; L593-P605 HydrophobicContact CD1-CG 3.99Å; L593-P605 HydrophobicContact CG-CB 4.5Å; L593-L606 HydrophobicContact CD1-CD2 3.6Å; L593-L606 HydrophobicContact CD1-CG 4.39Å; L593-L606 HydrophobicContact CD2-CD2 4.2Å; L593-L609 HydrophobicContact CD1-CD1 3.82Å; L593-L621 HydrophobicContact CD1-CD2 4.38Å; L593-A624 HydrophobicContact CD2-CB 4.21Å; L593-R625 HydrophobicContact CD2-CB 4.15Å; L593-L628 HydrophobicContact CB-CD1 4.13Å; L593-L628 HydrophobicContact CD2-CD1 3.98Å; L593-L628 HydrophobicContact CG-CD1 4.2Å; L593-F634 HydrophobicContact CD2-CE2 3.92Å; L593-F634 HydrophobicContact CG-CE2 3.81Å; L593-F634 HydrophobicContact CG-CZ 4.27Å |
| 594 | L | 97.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 173.4 | 178.6 | 58.2 | 0 | 0 | 0 | 112.3 | E590 R591 T596 K597 T598 L628 I633 F634 L640 V647 A648 P654 | E590-L594 WeakPolarHBondContact O-CB 3.48Å; E590-L594 PolarHBondContact O-N 2.97Å; E590-L594 VanDerWaalsContact O-N 3.14Å; R591-L594 PolarHBondContact O-N 2.76Å; L594-T596 VanDerWaalsContact C-N 3.31Å; L594-T596 PolarHBondContact O-N 3.04Å; L594-K597 PolarHBondContact O-N 3.42Å; L594-T598 PolarHBondContact O-N 2.87Å; L594-T598 PolarHBondContact O-OG1 2.91Å; L594-L628 HydrophobicContact CB-CD1 4.31Å; L594-I633 HydrophobicContact CD1-CG2 3.88Å; L594-F634 HydrophobicContact CD1-CE1 4.04Å; L594-L640 HydrophobicContact CD1-CD2 3.62Å; L594-V647 HydrophobicContact CD2-CG1 3.97Å; L594-A648 HydrophobicContact CD1-CB 4.13Å; L594-P654 HydrophobicContact CD2-CG 4.38Å |
| 595 | M | 97.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.3 | -74 | -178.5 | 75.8 | 0 | 0 | 111.5 | L322 M326 L348 L351 R591 L592 K597 T598 L599 | L322-M595 HydrophobicContact CB-CE 3.92Å; L322-M595 HydrophobicContact CD1-CE 4.28Å; M326-M595 HydrophobicContact CE-CE 3.85Å; M326-M595 HydrophobicContact CE-CG 4.34Å; M326-M595 HydrophobicContact SD-CB 4.3Å; M326-M595 HydrophobicContact SD-CG 4.32Å; L348-M595 HydrophobicContact CD2-CE 4.24Å; L348-M595 HydrophobicContact CD2-SD 3.91Å; L351-M595 HydrophobicContact CD2-CB 4.18Å; R591-M595 WeakPolarHBondContact O-CB 3.2Å; R591-M595 WeakPolarHBondContact O-CG 3.4Å; R591-M595 PolarHBondContact O-N 3.13Å; L592-M595 PolarHBondContact O-N 3.32Å; M595-K597 PolarHBondContact O-N 3.26Å; M595-T598 PolarHBondContact O-N 3.48Å; M595-L599 WeakPolarHBondContact O-CG 3.3Å; M595-L599 PolarHBondContact O-N 3.45Å |
| 596 | T | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | L351 L592 L593 L594 T598 L599 F600 P605 M608 L609 | L351-T596 HydrophobicContact CD1-CG2 4.31Å; L351-T596 WeakPolarHBondContact CD1-OG1 3.48Å; L592-T596 WeakPolarHBondContact O-CB 3.26Å; L592-T596 PolarHBondContact O-N 3.13Å; L592-T596 PolarHBondContact O-OG1 2.65Å; L593-T596 PolarHBondContact O-N 3.3Å; L594-T596 VanDerWaalsContact C-N 3.31Å; L594-T596 PolarHBondContact O-N 3.04Å; T596-T598 PolarHBondContact O-N 2.91Å; T596-L599 PolarHBondContact O-N 3.21Å; T596-F600 HydrophobicContact CG2-CD2 3.83Å; T596-F600 HydrophobicContact CG2-CE2 4.26Å; T596-F600 VanDerWaalsContact O-CD2 3.28Å; T596-F600 WeakPolarHBondContact O-CD2 3.14Å; T596-F600 PolarHBondContact O-N 3.21Å; T596-P605 HydrophobicContact CG2-CB 3.98Å; T596-M608 HydrophobicContact CG2-CB 3.67Å; T596-M608 HydrophobicContact CG2-CG 3.7Å; T596-L609 HydrophobicContact CG2-CD2 4.33Å; T596-L609 HydrophobicContact CG2-CG 4.08Å; T596-L609 WeakPolarHBondContact OG1-CD2 3.17Å |
| 597 | K | 97.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -34.1 | 177.8 | -175.1 | 50.5 | 165.7 | 173.8 | 0 | 112.5 | L593 L594 M595 F600 Q601 A603 P605 F634 N638 E639 L640 | L593-K597 PolarHBondContact O-N 3.03Å; L594-K597 PolarHBondContact O-N 3.42Å; M595-K597 PolarHBondContact O-N 3.26Å; K597-F600 CarbonylContact O-C 3.58Å; K597-Q601 PolarHBondContact NZ-O 2.85Å; K597-Q601 WeakPolarHBondContact O-CA 3.49Å; K597-Q601 PolarHBondContact O-N 3.05Å; K597-A603 PolarHBondContact NZ-O 3.45Å; K597-P605 HydrophobicContact CB-CB 3.98Å; K597-P605 HydrophobicContact CB-CG 4.12Å; K597-P605 HydrophobicContact CD-CG 4.38Å; K597-F634 HydrophobicContact CB-CE1 4.09Å; K597-F634 HydrophobicContact CB-CZ 3.76Å; K597-F634 HydrophobicContact CG-CE1 4.2Å; K597-F634 HydrophobicContact CG-CZ 4.21Å; K597-N638 WeakPolarHBondContact CE-O 3.42Å; K597-E639 WeakPolarHBondContact CE-OE2 3.39Å; K597-E639 IonicContact NZ-OE1 3.06Å; K597-E639 PolarHBondContact NZ-OE1 2.85Å; K597-E639 IonicContact NZ-OE2 3.88Å; K597-E639 PolarHBondContact NZ-OE2 3.31Å; K597-L640 HydrophobicContact CG-CD1 4.1Å; K597-L640 HydrophobicContact CG-CD2 4.38Å; K597-L640 HydrophobicContact CG-CG 3.76Å |
| 598 | T | 96 | Very high | 95.4 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | 178.6 | -51.4 | 0 | 0 | 0 | 0 | 111.9 | M326 F327 L594 M595 T596 Q601 A648 | M326-T598 HydrophobicContact CB-CG2 3.98Å; M326-T598 HydrophobicContact CG-CG2 3.84Å; M326-T598 HydrophobicContact SD-CG2 3.63Å; F327-T598 HydrophobicContact CE1-CG2 4.16Å; F327-T598 HydrophobicContact CZ-CG2 4.11Å; L594-T598 PolarHBondContact O-N 2.87Å; L594-T598 PolarHBondContact O-OG1 2.91Å; M595-T598 PolarHBondContact O-N 3.48Å; T596-T598 PolarHBondContact O-N 2.91Å; T598-Q601 WeakPolarHBondContact O-CG 3.49Å; T598-A648 HydrophobicContact CG2-CB 4.22Å; T598-A648 WeakPolarHBondContact OG1-CB 3.44Å |
| 599 | L | 95.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 175.2 | -72.9 | 163.4 | 0 | 0 | 0 | 112.5 | L322 A325 M326 L351 Y355 M595 T596 | L322-L599 HydrophobicContact CD2-CD1 3.85Å; L322-L599 HydrophobicContact CD2-CD2 4.4Å; A325-L599 HydrophobicContact CB-CD2 3.88Å; M326-L599 HydrophobicContact CB-CD2 4.43Å; M326-L599 HydrophobicContact CG-CD2 3.42Å; M326-L599 VanDerWaalsContact CG-CD2 3.42Å; M326-L599 HydrophobicContact CG-CG 3.55Å; M326-L599 HydrophobicContact SD-CG 4.23Å; L351-L599 HydrophobicContact CD1-CD1 4.36Å; L351-L599 HydrophobicContact CD2-CD1 3.92Å; L351-L599 HydrophobicContact CG-CD1 4.14Å; Y355-L599 HydrophobicContact CD2-CD2 4Å; Y355-L599 HydrophobicContact CE2-CD2 4.1Å; M595-L599 WeakPolarHBondContact O-CG 3.3Å; M595-L599 PolarHBondContact O-N 3.45Å; T596-L599 PolarHBondContact O-N 3.21Å |
| 600 | F | 95.7 | Very high | 95.7 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -116.8 | 66.1 | -174.4 | -51.8 | -77.8 | 0 | 0 | 0 | 110.7 | L351 V354 Y355 Q358 T596 K597 A602 A603 M608 | L351-F600 HydrophobicContact CD1-CE2 4.09Å; V354-F600 HydrophobicContact CG1-CE2 4.48Å; V354-F600 HydrophobicContact CG1-CZ 4.14Å; Y355-F600 HydrophobicContact CD2-CE1 4.35Å; Y355-F600 HydrophobicContact CD2-CZ 4.26Å; Q358-F600 HydrophobicContact CB-CE1 4.42Å; Q358-F600 VanDerWaalsContact CD-CE1 3.47Å; Q358-F600 HydrophobicContact CG-CE1 4.27Å; T596-F600 HydrophobicContact CG2-CD2 3.83Å; T596-F600 HydrophobicContact CG2-CE2 4.26Å; T596-F600 VanDerWaalsContact O-CD2 3.28Å; T596-F600 WeakPolarHBondContact O-CD2 3.14Å; T596-F600 PolarHBondContact O-N 3.21Å; K597-F600 CarbonylContact O-C 3.58Å; F600-A602 PolarHBondContact O-N 3.1Å; F600-A602 VanDerWaalsContact O-N 3.11Å; F600-A603 HydrophobicContact CB-CB 3.96Å; F600-A603 PolarHBondContact O-N 3.16Å; F600-M608 HydrophobicContact CB-CE 4.28Å; F600-M608 HydrophobicContact CD1-CE 4.03Å; F600-M608 HydrophobicContact CD1-SD 4.44Å; F600-M608 HydrophobicContact CD2-CB 4.48Å; F600-M608 HydrophobicContact CD2-CE 4.36Å; F600-M608 HydrophobicContact CD2-CG 3.49Å; F600-M608 VanDerWaalsContact CD2-CG 3.49Å; F600-M608 HydrophobicContact CD2-SD 4.24Å; F600-M608 HydrophobicContact CE1-CE 4.41Å; F600-M608 HydrophobicContact CE1-SD 4.3Å; F600-M608 HydrophobicContact CE2-CG 3.53Å; F600-M608 HydrophobicContact CE2-SD 4.08Å; F600-M608 HydrophobicContact CG-CE 3.98Å; F600-M608 HydrophobicContact CG-CG 4.06Å; F600-M608 HydrophobicContact CG-SD 4.39Å; F600-M608 HydrophobicContact CZ-CG 4.15Å; F600-M608 HydrophobicContact CZ-SD 4.08Å |
| 601 | Q | 92 | Very high | 95.7 | Very high | 137 Ų | 137 | 41.2 Ų | 41.2 | 64% | 0.64 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -36.1 | -171 | -62 | -177.4 | 24.8 | 0 | 0 | 113.8 | K597 T598 | K597-Q601 PolarHBondContact NZ-O 2.85Å; K597-Q601 WeakPolarHBondContact O-CA 3.49Å; K597-Q601 PolarHBondContact O-N 3.05Å; T598-Q601 WeakPolarHBondContact O-CG 3.49Å |
| 602 | A | 92 | Very high | 95.5 | Very high | 110 Ų | 110 | 36.9 Ų | 36.9 | 91% | 0.909 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F600 | F600-A602 PolarHBondContact O-N 3.1Å; F600-A602 VanDerWaalsContact O-N 3.11Å |
| 603 | A | 94.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -103 | 156.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K597 F600 M608 | K597-A603 PolarHBondContact NZ-O 3.45Å; F600-A603 HydrophobicContact CB-CB 3.96Å; F600-A603 PolarHBondContact O-N 3.16Å; A603-M608 HydrophobicContact CB-CE 3.89Å |
| 604 | D | 96.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | trans | -71.4 | 128.3 | 164.6 | 176.7 | -94.5 | 0 | 0 | 0 | 109.4 | L606 E607 M608 N638 | D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 2.81Å; D604-L606 WeakPolarHBondContact OD1-CA 3.45Å; D604-L606 VanDerWaalsContact OD1-CB 3.23Å; D604-L606 WeakPolarHBondContact OD1-CB 3.22Å; D604-L606 PolarHBondContact OD1-N 3.34Å; D604-E607 HydrophobicContact CB-CB 4.1Å; D604-E607 PolarHBondContact O-N 3.11Å; D604-E607 PolarHBondContact OD1-N 3.13Å; D604-M608 PolarHBondContact O-N 3.26Å; D604-N638 PolarHBondContact OD2-ND2 2.99Å | ||
| 605 | P | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.7 | -23.6 | -173.9 | 30.5 | -35.7 | 0 | 0 | 0 | 112.7 | L593 T596 K597 L609 F634 N638 | L593-P605 HydrophobicContact CD1-CB 3.77Å; L593-P605 HydrophobicContact CD1-CG 3.99Å; L593-P605 HydrophobicContact CG-CB 4.5Å; T596-P605 HydrophobicContact CG2-CB 3.98Å; K597-P605 HydrophobicContact CB-CB 3.98Å; K597-P605 HydrophobicContact CB-CG 4.12Å; K597-P605 HydrophobicContact CD-CG 4.38Å; P605-L609 WeakPolarHBondContact O-CG 3.44Å; P605-L609 PolarHBondContact O-N 2.81Å; P605-L609 VanDerWaalsContact O-N 3.1Å; P605-F634 HydrophobicContact CG-CE2 4.03Å; P605-F634 HydrophobicContact CG-CZ 4.34Å; P605-N638 HydrophobicContact CG-CB 4.04Å |
| 606 | L | 96.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -44.9 | 175.2 | -53.9 | 173.6 | 0 | 0 | 0 | 110.6 | L593 D604 M608 L609 S610 L621 | L593-L606 HydrophobicContact CD1-CD2 3.6Å; L593-L606 HydrophobicContact CD1-CG 4.39Å; L593-L606 HydrophobicContact CD2-CD2 4.2Å; D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 2.81Å; D604-L606 WeakPolarHBondContact OD1-CA 3.45Å; D604-L606 VanDerWaalsContact OD1-CB 3.23Å; D604-L606 WeakPolarHBondContact OD1-CB 3.22Å; D604-L606 PolarHBondContact OD1-N 3.34Å; L606-M608 PolarHBondContact O-N 3.38Å; L606-L609 PolarHBondContact O-N 3.24Å; L606-S610 PolarHBondContact O-N 3.08Å; L606-L621 HydrophobicContact CD2-CB 4Å; L606-L621 HydrophobicContact CD2-CD1 4.4Å; L606-L621 HydrophobicContact CD2-CD2 3.94Å; L606-L621 HydrophobicContact CD2-CG 4.33Å |
| 607 | E | 94.9 | Very high | 94.1 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 173.5 | -166.7 | -163.9 | 148.6 | 0 | 0 | 110 | D604 S610 R611 | D604-E607 HydrophobicContact CB-CB 4.1Å; D604-E607 PolarHBondContact O-N 3.11Å; D604-E607 PolarHBondContact OD1-N 3.13Å; E607-S610 WeakPolarHBondContact O-CB 3.32Å; E607-S610 PolarHBondContact O-N 3.26Å; E607-S610 PolarHBondContact O-OG 3.14Å; E607-R611 IonicContact OE1-CZ 2.88Å; E607-R611 IonicContact OE1-NE 3.87Å; E607-R611 IonicContact OE1-NH2 2.88Å; E607-R611 PolarHBondContact OE1-NH2 3.49Å |
| 608 | M | 95.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 178 | -169.9 | 51.1 | 59.8 | 0 | 0 | 112.8 | V354 Q358 T596 F600 A603 D604 L606 S610 R611 | V354-M608 HydrophobicContact CG1-CG 3.95Å; V354-M608 HydrophobicContact CG1-SD 3.34Å; V354-M608 WeakPolarHBondContact CG1-SD 3.36Å; Q358-M608 PolarHBondContact NE2-SD 3.45Å; T596-M608 HydrophobicContact CG2-CB 3.67Å; T596-M608 HydrophobicContact CG2-CG 3.7Å; F600-M608 HydrophobicContact CB-CE 4.28Å; F600-M608 HydrophobicContact CD1-CE 4.03Å; F600-M608 HydrophobicContact CD1-SD 4.44Å; F600-M608 HydrophobicContact CD2-CB 4.48Å; F600-M608 HydrophobicContact CD2-CE 4.36Å; F600-M608 HydrophobicContact CD2-CG 3.49Å; F600-M608 VanDerWaalsContact CD2-CG 3.49Å; F600-M608 HydrophobicContact CD2-SD 4.24Å; F600-M608 HydrophobicContact CE1-CE 4.41Å; F600-M608 HydrophobicContact CE1-SD 4.3Å; F600-M608 HydrophobicContact CE2-CG 3.53Å; F600-M608 HydrophobicContact CE2-SD 4.08Å; F600-M608 HydrophobicContact CG-CE 3.98Å; F600-M608 HydrophobicContact CG-CG 4.06Å; F600-M608 HydrophobicContact CG-SD 4.39Å; F600-M608 HydrophobicContact CZ-CG 4.15Å; F600-M608 HydrophobicContact CZ-SD 4.08Å; A603-M608 HydrophobicContact CB-CE 3.89Å; D604-M608 PolarHBondContact O-N 3.26Å; L606-M608 PolarHBondContact O-N 3.38Å; M608-S610 PolarHBondContact O-N 3.04Å; M608-R611 WeakPolarHBondContact O-CB 3.38Å; M608-R611 PolarHBondContact O-N 3.08Å |
| 609 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -24.1 | 179.3 | -70.8 | 175.1 | 0 | 0 | 0 | 112.5 | L351 L592 L593 T596 P605 L606 R611 C612 P616 L621 | L351-L609 HydrophobicContact CD1-CD2 4.27Å; L592-L609 HydrophobicContact CD2-CD1 4.13Å; L592-L609 HydrophobicContact CD2-CD2 3.75Å; L592-L609 HydrophobicContact CG-CD1 4.41Å; L592-L609 HydrophobicContact CG-CD2 4.07Å; L593-L609 HydrophobicContact CD1-CD1 3.82Å; T596-L609 HydrophobicContact CG2-CD2 4.33Å; T596-L609 HydrophobicContact CG2-CG 4.08Å; T596-L609 WeakPolarHBondContact OG1-CD2 3.17Å; P605-L609 WeakPolarHBondContact O-CG 3.44Å; P605-L609 PolarHBondContact O-N 2.81Å; P605-L609 VanDerWaalsContact O-N 3.1Å; L606-L609 PolarHBondContact O-N 3.24Å; L609-R611 PolarHBondContact O-N 2.84Å; L609-C612 VanDerWaalsContact O-CB 3.3Å; L609-C612 WeakPolarHBondContact O-CB 3.37Å; L609-C612 PolarHBondContact O-N 3.26Å; L609-C612 VanDerWaalsContact O-N 3.1Å; L609-C612 PolarHBondContact O-SG 3.47Å; L609-C612 VanDerWaalsContact O-SG 3.38Å; L609-P616 HydrophobicContact CB-CG 3.85Å; L609-P616 HydrophobicContact CD1-CG 4.49Å; L609-P616 WeakPolarHBondContact O-CD 3.34Å; L609-L621 HydrophobicContact CB-CD2 4.5Å; L609-L621 HydrophobicContact CD1-CD2 3.71Å |
| 610 | S | 94.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -19.7 | 171.8 | 82.6 | 0 | 0 | 0 | 0 | 113.1 | L606 E607 M608 C612 | L606-S610 PolarHBondContact O-N 3.08Å; E607-S610 WeakPolarHBondContact O-CB 3.32Å; E607-S610 PolarHBondContact O-N 3.26Å; E607-S610 PolarHBondContact O-OG 3.14Å; M608-S610 PolarHBondContact O-N 3.04Å; S610-C612 VanDerWaalsContact C-N 3.33Å |
| 611 | R | 93.3 | Very high | 93 | Very high | 122 Ų | 122 | 50.3 Ų | 50.3 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.4 | 175.6 | -55.8 | 175.4 | -173.8 | -178 | 1.9 | 112.9 | F383 E607 M608 L609 | F383-R611 VanDerWaalsContact CE2-O 3.24Å; F383-R611 WeakPolarHBondContact CE2-O 3.31Å; E607-R611 IonicContact OE1-CZ 2.88Å; E607-R611 IonicContact OE1-NE 3.87Å; E607-R611 IonicContact OE1-NH2 2.88Å; E607-R611 PolarHBondContact OE1-NH2 3.49Å; M608-R611 WeakPolarHBondContact O-CB 3.38Å; M608-R611 PolarHBondContact O-N 3.08Å; L609-R611 PolarHBondContact O-N 2.84Å |
| 612 | C | 93.1 | Very high | 93 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -59.6 | 149.6 | 169.8 | -71.2 | 0 | 0 | 0 | 0 | 110.2 | V354 I584 L609 S610 D614 | V354-C612 HydrophobicContact CG2-CB 4.29Å; I584-C612 HydrophobicContact CD1-CB 4.18Å; L609-C612 VanDerWaalsContact O-CB 3.3Å; L609-C612 WeakPolarHBondContact O-CB 3.37Å; L609-C612 PolarHBondContact O-N 3.26Å; L609-C612 VanDerWaalsContact O-N 3.1Å; L609-C612 PolarHBondContact O-SG 3.47Å; L609-C612 VanDerWaalsContact O-SG 3.38Å; S610-C612 VanDerWaalsContact C-N 3.33Å; C612-D614 WeakPolarHBondContact CB-O 3.41Å; C612-D614 PolarHBondContact O-N 3.14Å |
| 613 | M | 89.3 | Confident | 93 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -56.4 | -34.4 | 178.6 | 175.4 | 173 | 57.9 | 0 | 0 | 112.9 | R345 L353 K379 F380 F383 | R345-M613 VanDerWaalsContact NH1-CE 3.27Å; L353-M613 HydrophobicContact CD1-CE 4.2Å; K379-M613 HydrophobicContact CB-SD 4.06Å; K379-M613 HydrophobicContact CD-CG 3.58Å; K379-M613 HydrophobicContact CD-SD 3.65Å; K379-M613 VanDerWaalsContact CE-CG 3.43Å; K379-M613 WeakPolarHBondContact CE-O 3.49Å; K379-M613 HydrophobicContact CG-CG 3.7Å; K379-M613 HydrophobicContact CG-SD 3.57Å; K379-M613 VanDerWaalsContact CG-SD 3.57Å; F380-M613 HydrophobicContact CD1-CE 3.7Å; F380-M613 HydrophobicContact CD1-SD 3.78Å; F380-M613 HydrophobicContact CE1-CE 3.15Å; F380-M613 HydrophobicContact CE1-SD 3.87Å; F380-M613 HydrophobicContact CG-SD 4.36Å; F380-M613 HydrophobicContact CZ-CE 3.69Å; F380-M613 HydrophobicContact CZ-SD 4.48Å; F383-M613 HydrophobicContact CD2-CB 3.9Å; F383-M613 HydrophobicContact CD2-CG 4.5Å; F383-M613 HydrophobicContact CE2-CB 4.2Å; F383-M613 HydrophobicContact CG-CB 4.41Å |
| 614 | D | 89.7 | Confident | 92.9 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -122.5 | 113.6 | 159 | -71.3 | -68.8 | 0 | 0 | 0 | 107.9 | R345 K379 P582 I584 C612 | R345-D614 IonicContact CZ-OD2 2.85Å; R345-D614 IonicContact NH1-OD2 3.9Å; R345-D614 PolarHBondContact NH1-OD2 2.95Å; R345-D614 IonicContact NH2-OD2 3.58Å; R345-D614 PolarHBondContact NH2-OD2 3.38Å; K379-D614 IonicContact NZ-OD1 3.77Å; K379-D614 PolarHBondContact NZ-OD1 3.23Å; K379-D614 IonicContact NZ-OD2 3.48Å; K379-D614 PolarHBondContact NZ-OD2 3.49Å; P582-D614 HydrophobicContact CG-CB 4.22Å; I584-D614 WeakPolarHBondContact CG2-O 3.23Å; C612-D614 WeakPolarHBondContact CB-O 3.41Å; C612-D614 PolarHBondContact O-N 3.14Å |
| 615 | P | 93.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 147.9 | -178.7 | 25.4 | -33 | 0 | 0 | 0 | 110.6 | Q585 | Q585-P615 WeakPolarHBondContact CG-O 3.49Å; Q585-P615 PolarHBondContact NE2-O 3.49Å |
| 616 | P | 93.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 162.5 | 172.7 | -6 | 11.7 | 0 | 0 | 0 | 112.1 | I584 L589 L609 L621 | I584-P616 HydrophobicContact CD1-CG 3.92Å; I584-P616 HydrophobicContact CG1-CB 3.96Å; I584-P616 HydrophobicContact CG1-CG 3.76Å; I584-P616 WeakPolarHBondContact O-CA 3.16Å; I584-P616 WeakPolarHBondContact O-CB 3.27Å; L589-P616 HydrophobicContact CD1-CB 3.47Å; L589-P616 VanDerWaalsContact CD1-CB 3.47Å; L589-P616 HydrophobicContact CD1-CG 4.35Å; L609-P616 HydrophobicContact CB-CG 3.85Å; L609-P616 HydrophobicContact CD1-CG 4.49Å; L609-P616 WeakPolarHBondContact O-CD 3.34Å; P616-L621 HydrophobicContact CB-CD1 4.12Å; P616-L621 HydrophobicContact CB-CD2 4.15Å; P616-L621 HydrophobicContact CB-CG 3.92Å; P616-L621 HydrophobicContact CG-CD1 4.08Å; P616-L621 HydrophobicContact CG-CD2 4.03Å; P616-L621 HydrophobicContact CG-CG 4.18Å |
| 617 | S | 90.5 | Very high | 92.5 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 134.3 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | Q585 Q619 G620 L621 | Q585-S617 WeakPolarHBondContact O-CB 3.43Å; Q585-S617 PolarHBondContact O-OG 3.26Å; Q585-S617 VanDerWaalsContact O-OG 3.07Å; S617-Q619 PolarHBondContact O-N 2.9Å; S617-G620 PolarHBondContact O-N 2.87Å; S617-G620 VanDerWaalsContact O-N 3.08Å; S617-G620 PolarHBondContact OG-N 2.88Å; S617-L621 PolarHBondContact O-N 3.23Å |
| 618 | P | 90.6 | Very high | 92.6 | Very high | 107 Ų | 107 | 40.6 Ų | 40.6 | 70% | 0.695 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -57.2 | -35.6 | 179.4 | -27.7 | 34.8 | 0 | 0 | 0 | 113.3 | L621 E622 | P618-L621 PolarHBondContact O-N 2.88Å; P618-E622 WeakPolarHBondContact O-CB 3.33Å; P618-E622 PolarHBondContact O-N 3.5Å |
| 619 | Q | 88.1 | Confident | 92.7 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.9 | -41 | 177.1 | -66.5 | 174.1 | -0.1 | 0 | 0 | 112.2 | T532 S617 L621 E622 S623 | T532-Q619 VanDerWaalsContact CG2-OE1 3.23Å; S617-Q619 PolarHBondContact O-N 2.9Å; Q619-L621 VanDerWaalsContact C-N 3.32Å; Q619-E622 PolarHBondContact O-N 3.14Å; Q619-S623 WeakPolarHBondContact O-CB 3.41Å; Q619-S623 PolarHBondContact O-N 3.1Å |
| 620 | G | 90.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S617 S623 A624 | S617-G620 PolarHBondContact O-N 2.87Å; S617-G620 VanDerWaalsContact O-N 3.08Å; S617-G620 PolarHBondContact OG-N 2.88Å; G620-S623 PolarHBondContact O-N 2.68Å; G620-A624 WeakPolarHBondContact O-CB 3.46Å; G620-A624 PolarHBondContact O-N 2.96Å |
| 621 | L | 93 | Very high | 92.6 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 175.2 | -76.5 | 175.6 | 0 | 0 | 0 | 112 | L589 L593 L606 L609 P616 S617 P618 Q619 S623 A624 R625 | L589-L621 HydrophobicContact CD1-CD2 3.77Å; L589-L621 HydrophobicContact CD1-CG 3.95Å; L593-L621 HydrophobicContact CD1-CD2 4.38Å; L606-L621 HydrophobicContact CD2-CB 4Å; L606-L621 HydrophobicContact CD2-CD1 4.4Å; L606-L621 HydrophobicContact CD2-CD2 3.94Å; L606-L621 HydrophobicContact CD2-CG 4.33Å; L609-L621 HydrophobicContact CB-CD2 4.5Å; L609-L621 HydrophobicContact CD1-CD2 3.71Å; P616-L621 HydrophobicContact CB-CD1 4.12Å; P616-L621 HydrophobicContact CB-CD2 4.15Å; P616-L621 HydrophobicContact CB-CG 3.92Å; P616-L621 HydrophobicContact CG-CD1 4.08Å; P616-L621 HydrophobicContact CG-CD2 4.03Å; P616-L621 HydrophobicContact CG-CG 4.18Å; S617-L621 PolarHBondContact O-N 3.23Å; P618-L621 PolarHBondContact O-N 2.88Å; Q619-L621 VanDerWaalsContact C-N 3.32Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 3.37Å; L621-A624 PolarHBondContact O-N 3.33Å; L621-R625 VanDerWaalsContact O-CB 3.31Å; L621-R625 WeakPolarHBondContact O-CB 3.21Å; L621-R625 PolarHBondContact O-N 3.36Å |
| 622 | E | 92.2 | Very high | 92.8 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -37.8 | 179.5 | -177.8 | 56.4 | -160.6 | 0 | 0 | 112 | P618 Q619 R625 C626 | P618-E622 WeakPolarHBondContact O-CB 3.33Å; P618-E622 PolarHBondContact O-N 3.5Å; Q619-E622 PolarHBondContact O-N 3.14Å; E622-R625 PolarHBondContact O-N 2.88Å; E622-R625 IonicContact OE1-CZ 3.34Å; E622-R625 IonicContact OE1-NE 3.88Å; E622-R625 PolarHBondContact OE1-NE 3.48Å; E622-R625 IonicContact OE1-NH2 3.66Å; E622-R625 PolarHBondContact OE1-NH2 3.44Å; E622-R625 IonicContact OE2-CZ 2.72Å; E622-R625 IonicContact OE2-NE 2.7Å; E622-R625 PolarHBondContact OE2-NE 2.87Å; E622-R625 IonicContact OE2-NH2 3.73Å; E622-C626 VanDerWaalsContact O-CB 3.31Å; E622-C626 WeakPolarHBondContact O-CB 3.47Å; E622-C626 PolarHBondContact O-N 2.74Å; E622-C626 PolarHBondContact O-SG 3.21Å; E622-C626 PolarHBondContact OE1-SG 3.31Å |
| 623 | S | 90.3 | Very high | 93 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | Q619 G620 L621 C626 L627 | Q619-S623 WeakPolarHBondContact O-CB 3.41Å; Q619-S623 PolarHBondContact O-N 3.1Å; G620-S623 PolarHBondContact O-N 2.68Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 3.37Å; S623-C626 PolarHBondContact O-N 3.36Å; S623-L627 WeakPolarHBondContact O-CB 3.3Å; S623-L627 PolarHBondContact O-N 2.95Å |
| 624 | A | 93.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L589 E590 L593 G620 L621 L627 L628 | L589-A624 HydrophobicContact CB-CB 3.84Å; E590-A624 HydrophobicContact CB-CB 4.2Å; L593-A624 HydrophobicContact CD2-CB 4.21Å; G620-A624 WeakPolarHBondContact O-CB 3.46Å; G620-A624 PolarHBondContact O-N 2.96Å; L621-A624 PolarHBondContact O-N 3.33Å; A624-L627 WeakPolarHBondContact O-CB 3.47Å; A624-L627 PolarHBondContact O-N 3.39Å; A624-L628 WeakPolarHBondContact O-CG 3.46Å; A624-L628 PolarHBondContact O-N 3.35Å |
| 625 | R | 95.5 | Very high | 93.8 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -51.6 | 176 | -169.7 | -165.4 | 74.5 | 76.1 | 3.1 | 111.3 | L593 L621 E622 L627 L628 V629 N638 | L593-R625 HydrophobicContact CD2-CB 4.15Å; L621-R625 VanDerWaalsContact O-CB 3.31Å; L621-R625 WeakPolarHBondContact O-CB 3.21Å; L621-R625 PolarHBondContact O-N 3.36Å; E622-R625 PolarHBondContact O-N 2.88Å; E622-R625 IonicContact OE1-CZ 3.34Å; E622-R625 IonicContact OE1-NE 3.88Å; E622-R625 PolarHBondContact OE1-NE 3.48Å; E622-R625 IonicContact OE1-NH2 3.66Å; E622-R625 PolarHBondContact OE1-NH2 3.44Å; E622-R625 IonicContact OE2-CZ 2.72Å; E622-R625 IonicContact OE2-NE 2.7Å; E622-R625 PolarHBondContact OE2-NE 2.87Å; E622-R625 IonicContact OE2-NH2 3.73Å; R625-L627 PolarHBondContact O-N 3.07Å; R625-L628 PolarHBondContact O-N 2.93Å; R625-V629 HydrophobicContact CG-CG2 4.45Å; R625-V629 WeakPolarHBondContact O-CG2 3.38Å; R625-V629 PolarHBondContact O-N 2.84Å; R625-N638 VanDerWaalsContact CD-OD1 3.28Å; R625-N638 WeakPolarHBondContact CD-OD1 3.48Å; R625-N638 VanDerWaalsContact CG-OD1 3.3Å; R625-N638 WeakPolarHBondContact CG-OD1 3.34Å |
| 626 | C | 93 | Very high | 93.9 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 43% | 0.432 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.3 | -42 | 176.4 | -76.4 | 0 | 0 | 0 | 0 | 111.8 | E622 S623 G630 | E622-C626 VanDerWaalsContact O-CB 3.31Å; E622-C626 WeakPolarHBondContact O-CB 3.47Å; E622-C626 PolarHBondContact O-N 2.74Å; E622-C626 PolarHBondContact O-SG 3.21Å; E622-C626 PolarHBondContact OE1-SG 3.31Å; S623-C626 PolarHBondContact O-N 3.36Å; C626-G630 PolarHBondContact O-N 3.43Å |
| 627 | L | 93.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 46 Ų | 46 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 177.3 | -170 | 82.5 | 0 | 0 | 0 | 112 | E590 S623 A624 R625 V629 G630 L631 F655 F800 | E590-L627 HydrophobicContact CB-CD2 3.84Å; E590-L627 HydrophobicContact CG-CD2 3.77Å; S623-L627 WeakPolarHBondContact O-CB 3.3Å; S623-L627 PolarHBondContact O-N 2.95Å; A624-L627 WeakPolarHBondContact O-CB 3.47Å; A624-L627 PolarHBondContact O-N 3.39Å; R625-L627 PolarHBondContact O-N 3.07Å; L627-V629 VanDerWaalsContact C-N 3.34Å; L627-V629 PolarHBondContact O-N 2.83Å; L627-G630 PolarHBondContact O-N 3.28Å; L627-L631 HydrophobicContact CG-CD1 4.25Å; L627-L631 WeakPolarHBondContact O-CB 3.48Å; L627-L631 WeakPolarHBondContact O-CG 3.38Å; L627-L631 PolarHBondContact O-N 3.42Å; L627-F655 HydrophobicContact CD1-CE1 3.78Å; L627-F655 HydrophobicContact CD1-CZ 3.78Å; L627-F655 HydrophobicContact CD2-CE1 4.11Å; L627-F655 HydrophobicContact CD2-CZ 4.06Å; L627-F655 HydrophobicContact CG-CE1 4.18Å; L627-F655 HydrophobicContact CG-CZ 4.39Å; L627-F800 HydrophobicContact CD1-CD1 4.45Å |
| 628 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | -178.1 | -67.2 | -178.7 | 0 | 0 | 0 | 112.2 | E590 L593 L594 A624 R625 L631 D632 I633 F634 P654 | E590-L628 HydrophobicContact CB-CD2 4.15Å; E590-L628 HydrophobicContact CB-CG 4.28Å; L593-L628 HydrophobicContact CB-CD1 4.13Å; L593-L628 HydrophobicContact CD2-CD1 3.98Å; L593-L628 HydrophobicContact CG-CD1 4.2Å; L594-L628 HydrophobicContact CB-CD1 4.31Å; A624-L628 WeakPolarHBondContact O-CG 3.46Å; A624-L628 PolarHBondContact O-N 3.35Å; R625-L628 PolarHBondContact O-N 2.93Å; L628-L631 PolarHBondContact O-N 3.27Å; L628-D632 PolarHBondContact O-N 3.2Å; L628-I633 HydrophobicContact CB-CB 4.42Å; L628-I633 HydrophobicContact CB-CG2 4.44Å; L628-I633 HydrophobicContact CD2-CB 4.38Å; L628-I633 HydrophobicContact CD2-CD1 3.95Å; L628-I633 HydrophobicContact CD2-CG2 4.11Å; L628-I633 WeakPolarHBondContact O-CB 3.31Å; L628-I633 PolarHBondContact O-N 2.95Å; L628-F634 HydrophobicContact CB-CB 4.34Å; L628-F634 HydrophobicContact CB-CD2 4.13Å; L628-F634 HydrophobicContact CB-CG 4.09Å; L628-F634 HydrophobicContact CD1-CD2 4.05Å; L628-F634 HydrophobicContact CD1-CE1 4.18Å; L628-F634 HydrophobicContact CD1-CE2 3.72Å; L628-F634 HydrophobicContact CD1-CG 4.43Å; L628-F634 HydrophobicContact CD1-CZ 3.78Å; L628-F634 PolarHBondContact O-N 2.75Å; L628-P654 HydrophobicContact CD2-CB 4.12Å; L628-P654 HydrophobicContact CD2-CG 4.08Å |
| 629 | V | 96.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 21% | 0.212 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 172.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R625 L627 L631 D632 F634 | R625-V629 HydrophobicContact CG-CG2 4.45Å; R625-V629 WeakPolarHBondContact O-CG2 3.38Å; R625-V629 PolarHBondContact O-N 2.84Å; L627-V629 VanDerWaalsContact C-N 3.34Å; L627-V629 PolarHBondContact O-N 2.83Å; V629-L631 PolarHBondContact O-N 2.86Å; V629-D632 WeakPolarHBondContact O-CA 3.38Å; V629-D632 PolarHBondContact O-N 3.1Å; V629-F634 WeakPolarHBondContact CA-O 3.45Å; V629-F634 HydrophobicContact CG2-CB 3.94Å |
| 630 | G | 93.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 40 Ų | 40 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C626 L627 D632 F800 | C626-G630 PolarHBondContact O-N 3.43Å; L627-G630 PolarHBondContact O-N 3.28Å; G630-D632 PolarHBondContact O-N 3.24Å; G630-F800 VanDerWaalsContact C-CE2 3.49Å; G630-F800 WeakPolarHBondContact O-CE2 3.16Å |
| 631 | L | 95.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.9 | 173.9 | -72.3 | 173.6 | 0 | 0 | 0 | 114.2 | L627 L628 V629 I633 P654 F655 V658 F800 | L627-L631 HydrophobicContact CG-CD1 4.25Å; L627-L631 WeakPolarHBondContact O-CB 3.48Å; L627-L631 WeakPolarHBondContact O-CG 3.38Å; L627-L631 PolarHBondContact O-N 3.42Å; L628-L631 PolarHBondContact O-N 3.27Å; V629-L631 PolarHBondContact O-N 2.86Å; L631-I633 HydrophobicContact CB-CD1 3.88Å; L631-I633 HydrophobicContact CB-CG1 4.03Å; L631-I633 HydrophobicContact CD1-CD1 3.97Å; L631-I633 PolarHBondContact O-N 3.05Å; L631-P654 HydrophobicContact CD1-CB 4.05Å; L631-F655 HydrophobicContact CD1-CD1 3.69Å; L631-F655 HydrophobicContact CD1-CE1 3.88Å; L631-F655 HydrophobicContact CD2-CD1 4.02Å; L631-F655 HydrophobicContact CD2-CE1 4.31Å; L631-F655 HydrophobicContact CG-CD1 4.4Å; L631-F655 HydrophobicContact CG-CE1 4.45Å; L631-V658 HydrophobicContact CB-CG2 4.43Å; L631-V658 HydrophobicContact CD2-CG2 4.43Å; L631-F800 HydrophobicContact CD2-CB 3.78Å; L631-F800 HydrophobicContact CD2-CD2 4.16Å; L631-F800 HydrophobicContact CD2-CG 4.12Å |
| 632 | D | 96 | Very high | 95.4 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 23.8 | -174.5 | -163.7 | 56.8 | 0 | 0 | 0 | 112.4 | L628 V629 G630 T641 V643 K935 | L628-D632 PolarHBondContact O-N 3.2Å; V629-D632 WeakPolarHBondContact O-CA 3.38Å; V629-D632 PolarHBondContact O-N 3.1Å; G630-D632 PolarHBondContact O-N 3.24Å; D632-T641 WeakPolarHBondContact O-CB 3.49Å; D632-T641 VanDerWaalsContact O-CG2 3.29Å; D632-T641 WeakPolarHBondContact O-CG2 3.39Å; D632-T641 PolarHBondContact O-OG1 3.47Å; D632-V643 WeakPolarHBondContact O-CB 3.41Å; D632-K935 IonicContact OD1-NZ 2.7Å; D632-K935 PolarHBondContact OD1-NZ 3.34Å; D632-K935 WeakPolarHBondContact OD2-CE 3.31Å; D632-K935 IonicContact OD2-NZ 2.66Å; D632-K935 PolarHBondContact OD2-NZ 2.85Å |
| 633 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -80.5 | -43.3 | 175.3 | -72.9 | 169.1 | 0 | 0 | 0 | 109.7 | L594 L628 L631 T641 V643 G644 V647 P654 V658 | L594-I633 HydrophobicContact CD1-CG2 3.88Å; L628-I633 HydrophobicContact CB-CB 4.42Å; L628-I633 HydrophobicContact CB-CG2 4.44Å; L628-I633 HydrophobicContact CD2-CB 4.38Å; L628-I633 HydrophobicContact CD2-CD1 3.95Å; L628-I633 HydrophobicContact CD2-CG2 4.11Å; L628-I633 WeakPolarHBondContact O-CB 3.31Å; L628-I633 PolarHBondContact O-N 2.95Å; L631-I633 HydrophobicContact CB-CD1 3.88Å; L631-I633 HydrophobicContact CB-CG1 4.03Å; L631-I633 HydrophobicContact CD1-CD1 3.97Å; L631-I633 PolarHBondContact O-N 3.05Å; I633-T641 PolarHBondContact O-N 3.19Å; I633-T641 PolarHBondContact O-OG1 2.99Å; I633-V643 HydrophobicContact CG1-CG1 4.21Å; I633-G644 WeakPolarHBondContact O-CA 3.03Å; I633-V647 HydrophobicContact CD1-CB 4.36Å; I633-V647 HydrophobicContact CD1-CG1 3.87Å; I633-V647 HydrophobicContact CD1-CG2 4.42Å; I633-V647 HydrophobicContact CG1-CB 4.42Å; I633-V647 HydrophobicContact CG1-CG1 4.45Å; I633-V647 HydrophobicContact CG1-CG2 4.34Å; I633-P654 HydrophobicContact CD1-CB 3.69Å; I633-V658 HydrophobicContact CD1-CG2 4.03Å; I633-V658 HydrophobicContact CG1-CG2 4.18Å |
| 634 | F | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -106.1 | 150.7 | 170.5 | -74.3 | 2.6 | 0 | 0 | 0 | 110.4 | L593 L594 K597 P605 L628 V629 N638 E639 L640 | L593-F634 HydrophobicContact CD2-CE2 3.92Å; L593-F634 HydrophobicContact CG-CE2 3.81Å; L593-F634 HydrophobicContact CG-CZ 4.27Å; L594-F634 HydrophobicContact CD1-CE1 4.04Å; K597-F634 HydrophobicContact CB-CE1 4.09Å; K597-F634 HydrophobicContact CB-CZ 3.76Å; K597-F634 HydrophobicContact CG-CE1 4.2Å; K597-F634 HydrophobicContact CG-CZ 4.21Å; P605-F634 HydrophobicContact CG-CE2 4.03Å; P605-F634 HydrophobicContact CG-CZ 4.34Å; L628-F634 HydrophobicContact CB-CB 4.34Å; L628-F634 HydrophobicContact CB-CD2 4.13Å; L628-F634 HydrophobicContact CB-CG 4.09Å; L628-F634 HydrophobicContact CD1-CD2 4.05Å; L628-F634 HydrophobicContact CD1-CE1 4.18Å; L628-F634 HydrophobicContact CD1-CE2 3.72Å; L628-F634 HydrophobicContact CD1-CG 4.43Å; L628-F634 HydrophobicContact CD1-CZ 3.78Å; L628-F634 PolarHBondContact O-N 2.75Å; V629-F634 WeakPolarHBondContact CA-O 3.45Å; V629-F634 HydrophobicContact CG2-CB 3.94Å; F634-N638 HydrophobicContact CD2-CB 4.23Å; F634-E639 CarbonylContact C-O 3.56Å; F634-E639 VanDerWaalsContact CA-O 3.29Å; F634-E639 WeakPolarHBondContact CA-O 3.23Å; F634-L640 HydrophobicContact CD1-CD2 3.99Å; F634-L640 HydrophobicContact CE1-CD2 3.63Å; F634-L640 HydrophobicContact CE1-CG 4.39Å |
| 635 | D | 97.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | trans | -85.3 | -179.7 | 161.7 | 73.6 | 6.3 | 0 | 0 | 0 | 111.3 | N637 N638 E639 T641 | D635-N637 PolarHBondContact O-N 3.02Å; D635-N637 VanDerWaalsContact O-N 3.11Å; D635-N637 WeakPolarHBondContact OD1-CA 3.11Å; D635-N637 WeakPolarHBondContact OD1-CB 3.2Å; D635-N637 PolarHBondContact OD1-N 3.38Å; D635-N638 PolarHBondContact O-N 3.13Å; D635-N638 PolarHBondContact OD1-N 3.34Å; D635-E639 PolarHBondContact N-O 2.71Å; D635-E639 WeakPolarHBondContact OD1-CB 3.21Å; D635-E639 PolarHBondContact OD1-N 3.45Å; D635-T641 HydrophobicContact CB-CG2 4.3Å | ||
| 636 | D | 96.4 | Very high | 95.9 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 70% | 0.701 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.7 | 179.7 | -68 | -43.3 | 0 | 0 | 0 | 113.8 | ||
| 637 | N | 96.7 | Very high | 96.2 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 64% | 0.642 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11.5 | 177.6 | -55.3 | -55.5 | 0 | 0 | 0 | 112.7 | D635 E639 | D635-N637 PolarHBondContact O-N 3.02Å; D635-N637 VanDerWaalsContact O-N 3.11Å; D635-N637 WeakPolarHBondContact OD1-CA 3.11Å; D635-N637 WeakPolarHBondContact OD1-CB 3.2Å; D635-N637 PolarHBondContact OD1-N 3.38Å; N637-E639 HydrophobicContact CB-CG 4.45Å; N637-E639 PolarHBondContact O-N 3.38Å |
| 638 | N | 96.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 63.3 | 20.2 | -175.4 | -50.6 | -40.4 | 0 | 0 | 0 | 114.3 | K597 D604 P605 R625 F634 D635 | K597-N638 WeakPolarHBondContact CE-O 3.42Å; D604-N638 PolarHBondContact OD2-ND2 2.99Å; P605-N638 HydrophobicContact CG-CB 4.04Å; R625-N638 VanDerWaalsContact CD-OD1 3.28Å; R625-N638 WeakPolarHBondContact CD-OD1 3.48Å; R625-N638 VanDerWaalsContact CG-OD1 3.3Å; R625-N638 WeakPolarHBondContact CG-OD1 3.34Å; F634-N638 HydrophobicContact CD2-CB 4.23Å; D635-N638 PolarHBondContact O-N 3.13Å; D635-N638 PolarHBondContact OD1-N 3.34Å |
| 639 | E | 97.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | trans | -85.5 | 147.3 | 174.2 | -68 | -59.5 | 144.2 | 0 | 0 | 111.5 | K597 F634 D635 N637 T641 | K597-E639 WeakPolarHBondContact CE-OE2 3.39Å; K597-E639 IonicContact NZ-OE1 3.06Å; K597-E639 PolarHBondContact NZ-OE1 2.85Å; K597-E639 IonicContact NZ-OE2 3.88Å; K597-E639 PolarHBondContact NZ-OE2 3.31Å; F634-E639 CarbonylContact C-O 3.56Å; F634-E639 VanDerWaalsContact CA-O 3.29Å; F634-E639 WeakPolarHBondContact CA-O 3.23Å; D635-E639 PolarHBondContact N-O 2.71Å; D635-E639 WeakPolarHBondContact OD1-CB 3.21Å; D635-E639 PolarHBondContact OD1-N 3.45Å; N637-E639 HydrophobicContact CB-CG 4.45Å; N637-E639 PolarHBondContact O-N 3.38Å; E639-T641 PolarHBondContact O-N 3.32Å | ||
| 640 | L | 97.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -68 | 119.9 | 176.3 | -72.8 | 168.6 | 0 | 0 | 0 | 110.2 | L594 K597 F634 R645 | L594-L640 HydrophobicContact CD1-CD2 3.62Å; K597-L640 HydrophobicContact CG-CD1 4.1Å; K597-L640 HydrophobicContact CG-CD2 4.38Å; K597-L640 HydrophobicContact CG-CG 3.76Å; F634-L640 HydrophobicContact CD1-CD2 3.99Å; F634-L640 HydrophobicContact CE1-CD2 3.63Å; F634-L640 HydrophobicContact CE1-CG 4.39Å; L640-R645 HydrophobicContact CB-CG 3.99Å; L640-R645 PolarHBondContact O-NH2 3.48Å; L640-R645 VanDerWaalsContact O-NH2 3.1Å |
| 641 | T | 96.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | trans | -71.1 | 178.2 | 167.4 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | D632 I633 D635 E639 V643 G644 R645 | D632-T641 WeakPolarHBondContact O-CB 3.49Å; D632-T641 VanDerWaalsContact O-CG2 3.29Å; D632-T641 WeakPolarHBondContact O-CG2 3.39Å; D632-T641 PolarHBondContact O-OG1 3.47Å; I633-T641 PolarHBondContact O-N 3.19Å; I633-T641 PolarHBondContact O-OG1 2.99Å; D635-T641 HydrophobicContact CB-CG2 4.3Å; E639-T641 PolarHBondContact O-N 3.32Å; T641-V643 VanDerWaalsContact C-N 3.32Å; T641-V643 PolarHBondContact O-N 3.31Å; T641-V643 PolarHBondContact OG1-N 2.81Å; T641-G644 PolarHBondContact O-N 2.93Å; T641-G644 PolarHBondContact OG1-N 2.98Å; T641-R645 WeakPolarHBondContact O-CG 3.39Å; T641-R645 PolarHBondContact O-N 3.32Å | ||
| 642 | N | 92.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 171.1 | -68.8 | -40.1 | 0 | 0 | 0 | 112.4 | G644 R645 Y646 E939 | N642-G644 VanDerWaalsContact C-N 3.33Å; N642-R645 PolarHBondContact O-N 3.5Å; N642-R645 PolarHBondContact OD1-NH1 3.01Å; N642-Y646 WeakPolarHBondContact O-CD2 3.32Å; N642-Y646 PolarHBondContact O-N 3.49Å; N642-E939 WeakPolarHBondContact ND2-CG 3.41Å |
| 643 | V | 96 | Very high | 96 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | D632 I633 T641 R645 Y646 V647 V658 L661 F934 L938 | D632-V643 WeakPolarHBondContact O-CB 3.41Å; I633-V643 HydrophobicContact CG1-CG1 4.21Å; T641-V643 VanDerWaalsContact C-N 3.32Å; T641-V643 PolarHBondContact O-N 3.31Å; T641-V643 PolarHBondContact OG1-N 2.81Å; V643-R645 VanDerWaalsContact C-N 3.34Å; V643-R645 PolarHBondContact O-N 3.18Å; V643-Y646 PolarHBondContact O-N 3Å; V643-V647 HydrophobicContact CG1-CG2 4.05Å; V643-V647 WeakPolarHBondContact O-CG2 3.4Å; V643-V647 PolarHBondContact O-N 2.84Å; V643-V658 HydrophobicContact CG1-CG2 4.06Å; V643-L661 HydrophobicContact CG1-CD1 3.95Å; V643-F934 HydrophobicContact CG2-CE1 3.82Å; V643-F934 HydrophobicContact CG2-CZ 4.31Å; V643-L938 HydrophobicContact CG2-CD1 3.76Å |
| 644 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I633 T641 N642 Y646 V647 A648 | I633-G644 WeakPolarHBondContact O-CA 3.03Å; T641-G644 PolarHBondContact O-N 2.93Å; T641-G644 PolarHBondContact OG1-N 2.98Å; N642-G644 VanDerWaalsContact C-N 3.33Å; G644-Y646 VanDerWaalsContact C-N 3.34Å; G644-Y646 PolarHBondContact O-N 3.44Å; G644-V647 PolarHBondContact O-N 3.24Å; G644-A648 VanDerWaalsContact O-CB 3.32Å; G644-A648 WeakPolarHBondContact O-CB 3.15Å; G644-A648 PolarHBondContact O-N 3.22Å |
| 645 | R | 94.5 | Very high | 95.9 | Very high | 132 Ų | 132 | 37.8 Ų | 37.8 | 50% | 0.498 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.5 | -72.3 | 175 | -163.4 | 128.7 | 8.1 | 112.2 | L640 T641 N642 V643 H649 | L640-R645 HydrophobicContact CB-CG 3.99Å; L640-R645 PolarHBondContact O-NH2 3.48Å; L640-R645 VanDerWaalsContact O-NH2 3.1Å; T641-R645 WeakPolarHBondContact O-CG 3.39Å; T641-R645 PolarHBondContact O-N 3.32Å; N642-R645 PolarHBondContact O-N 3.5Å; N642-R645 PolarHBondContact OD1-NH1 3.01Å; V643-R645 VanDerWaalsContact C-N 3.34Å; V643-R645 PolarHBondContact O-N 3.18Å; R645-H649 PolarHBondContact O-CE1 3.43Å; R645-H649 PolarHBondContact O-ND1 2.84Å |
| 646 | Y | 95.9 | Very high | 96 | Very high | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.6 | -46.7 | 174.9 | -62.6 | -69.4 | 0 | 0 | 0 | 111.4 | N642 V643 G644 A648 H649 L661 I767 L938 R941 | N642-Y646 WeakPolarHBondContact O-CD2 3.32Å; N642-Y646 PolarHBondContact O-N 3.49Å; V643-Y646 PolarHBondContact O-N 3Å; G644-Y646 VanDerWaalsContact C-N 3.34Å; G644-Y646 PolarHBondContact O-N 3.44Å; Y646-A648 PolarHBondContact O-N 2.85Å; Y646-H649 WeakPolarHBondContact O-CB 3.45Å; Y646-H649 PolarHBondContact O-N 2.96Å; Y646-L661 HydrophobicContact CD2-CD2 4.47Å; Y646-L661 HydrophobicContact CG-CD2 4.2Å; Y646-I767 HydrophobicContact CD1-CB 4.01Å; Y646-I767 HydrophobicContact CD1-CD1 4.41Å; Y646-I767 HydrophobicContact CD1-CG1 4.49Å; Y646-I767 HydrophobicContact CE1-CB 3.92Å; Y646-I767 HydrophobicContact CE1-CD1 3.84Å; Y646-I767 HydrophobicContact CE1-CG1 4.31Å; Y646-I767 HydrophobicContact CE2-CD1 4.21Å; Y646-L938 HydrophobicContact CD2-CB 4.47Å; Y646-L938 HydrophobicContact CD2-CD2 4.26Å; Y646-L938 HydrophobicContact CE2-CB 3.98Å; Y646-L938 HydrophobicContact CE2-CD2 4.21Å; Y646-L938 PolarHBondContact OH-O 2.93Å; Y646-R941 WeakPolarHBondContact OH-CG 3.24Å |
| 647 | V | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -34.5 | -178.8 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | L594 I633 V643 G644 H649 F650 V658 L661 | L594-V647 HydrophobicContact CD2-CG1 3.97Å; I633-V647 HydrophobicContact CD1-CB 4.36Å; I633-V647 HydrophobicContact CD1-CG1 3.87Å; I633-V647 HydrophobicContact CD1-CG2 4.42Å; I633-V647 HydrophobicContact CG1-CB 4.42Å; I633-V647 HydrophobicContact CG1-CG1 4.45Å; I633-V647 HydrophobicContact CG1-CG2 4.34Å; V643-V647 HydrophobicContact CG1-CG2 4.05Å; V643-V647 WeakPolarHBondContact O-CG2 3.4Å; V643-V647 PolarHBondContact O-N 2.84Å; G644-V647 PolarHBondContact O-N 3.24Å; V647-H649 PolarHBondContact O-N 3.44Å; V647-F650 PolarHBondContact O-N 3.25Å; V647-V658 HydrophobicContact CG2-CG2 4.02Å; V647-L661 HydrophobicContact CG2-CD1 3.78Å |
| 648 | A | 96.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.9 | -30.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F327 L594 T598 G644 Y646 F650 | F327-A648 WeakPolarHBondContact CZ-O 3.46Å; L594-A648 HydrophobicContact CD1-CB 4.13Å; T598-A648 HydrophobicContact CG2-CB 4.22Å; T598-A648 WeakPolarHBondContact OG1-CB 3.44Å; G644-A648 VanDerWaalsContact O-CB 3.32Å; G644-A648 WeakPolarHBondContact O-CB 3.15Å; G644-A648 PolarHBondContact O-N 3.22Å; Y646-A648 PolarHBondContact O-N 2.85Å; A648-F650 VanDerWaalsContact C-N 3.29Å; A648-F650 PolarHBondContact O-N 3.41Å |
| 649 | H | 94.7 | Very high | 96.2 | Very high | 48 Ų | 48 | 22.7 Ų | 22.7 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73 | -23.4 | 177 | -68.3 | 78.9 | 0 | 0 | 0 | 112.2 | R323 F327 R645 Y646 V647 | R323-H649 PolarHBondContact NH1-O 3.3Å; R323-H649 PolarHBondContact NH2-O 2.72Å; F327-H649 AromaticContact CD1-CD2 3.9Å; F327-H649 AromaticContact CD1-NE2 3.88Å; F327-H649 AromaticContact CE1-CD2 3.57Å; F327-H649 AromaticContact CE1-CG 3.98Å; F327-H649 AromaticContact CE1-NE2 3.63Å; R645-H649 PolarHBondContact O-CE1 3.43Å; R645-H649 PolarHBondContact O-ND1 2.84Å; Y646-H649 WeakPolarHBondContact O-CB 3.45Å; Y646-H649 PolarHBondContact O-N 2.96Å; V647-H649 PolarHBondContact O-N 3.44Å |
| 650 | F | 95.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | trans | -84.4 | 128.8 | -173.2 | -50.6 | -31.5 | 0 | 0 | 0 | 111.1 | V647 A648 C652 L661 E761 L762 | V647-F650 PolarHBondContact O-N 3.25Å; A648-F650 VanDerWaalsContact C-N 3.29Å; A648-F650 PolarHBondContact O-N 3.41Å; F650-C652 PolarHBondContact O-N 3.13Å; F650-L661 HydrophobicContact CE2-CD1 4.46Å; F650-L661 HydrophobicContact CE2-CD2 3.84Å; F650-L661 HydrophobicContact CE2-CG 3.93Å; F650-L661 HydrophobicContact CZ-CD2 3.86Å; F650-L661 HydrophobicContact CZ-CG 4.47Å; F650-E761 WeakPolarHBondContact CA-OE2 3.32Å; F650-E761 HydrophobicContact CD1-CB 4.08Å; F650-L762 HydrophobicContact CD1-CD2 4.35Å; F650-L762 HydrophobicContact CE1-CD2 3.5Å; F650-L762 HydrophobicContact CE1-CG 4.31Å; F650-L762 HydrophobicContact CE2-CD2 4.24Å; F650-L762 HydrophobicContact CZ-CD2 3.42Å; F650-L762 VanDerWaalsContact CZ-CD2 3.42Å | ||
| 651 | G | 92.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 17.7 Ų | 17.7 | 14% | 0.144 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -76.8 | 20.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R301 E761 | R301-G651 VanDerWaalsContact CZ-O 3.28Å; R301-G651 PolarHBondContact NH1-O 2.95Å; R301-G651 PolarHBondContact NH2-O 3.27Å; G651-E761 PolarHBondContact N-OE2 2.63Å |
| 652 | C | 95.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -115.2 | 173.1 | -177.7 | 65.7 | 0 | 0 | 0 | 0 | 112 | F650 L656 E680 F758 | F650-C652 PolarHBondContact O-N 3.13Å; C652-L656 HydrophobicContact CB-CB 4.16Å; C652-L656 HydrophobicContact CB-CD1 4.35Å; C652-E680 WeakPolarHBondContact CA-OE2 3.47Å; C652-E680 HydrophobicContact CB-CB 4.37Å; C652-E680 HydrophobicContact CB-CG 4.26Å; C652-F758 HydrophobicContact CB-CE1 3.86Å; C652-F758 HydrophobicContact CB-CE2 4.12Å; C652-F758 HydrophobicContact CB-CZ 3.6Å |
| 653 | H | 95.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.065 | 7% | 0.068 | C | C | . | . | trans | -55.2 | 141.7 | 173.2 | -163.2 | -83 | 0 | 0 | 0 | 111.7 | E590 R591 F655 L656 G657 E680 | E590-H653 IonicContact OE1-NE2 2.76Å; E590-H653 PolarHBondContact OE1-NE2 3.04Å; R591-H653 VanDerWaalsContact CZ-CD2 3.44Å; R591-H653 PolarHBondContact NH1-CD2 2.85Å; H653-F655 VanDerWaalsContact C-N 3.25Å; H653-F655 AromaticContact CE1-CD2 3.23Å; H653-F655 WeakPolarHBondContact CE1-CD2 3.45Å; H653-F655 AromaticContact CE1-CE2 3.51Å; H653-F655 AromaticContact CE1-CG 3.63Å; H653-F655 WeakPolarHBondContact ND1-CB 3.39Å; H653-F655 AromaticContact ND1-CD2 3.24Å; H653-F655 WeakPolarHBondContact ND1-CD2 3.28Å; H653-F655 AromaticContact ND1-CG 3.35Å; H653-F655 WeakPolarHBondContact ND1-CG 3.1Å; H653-F655 PolarHBondContact ND1-N 3.3Å; H653-F655 VanDerWaalsContact ND1-N 3.14Å; H653-F655 PolarHBondContact O-N 2.51Å; H653-F655 VanDerWaalsContact O-N 3.12Å; H653-L656 HydrophobicContact CB-CD1 4.24Å; H653-L656 HydrophobicContact CB-CG 4.23Å; H653-L656 WeakPolarHBondContact O-CA 3.42Å; H653-L656 WeakPolarHBondContact O-CB 3.48Å; H653-L656 PolarHBondContact O-N 2.78Å; H653-G657 PolarHBondContact O-N 3.29Å; H653-E680 PolarHBondContact N-OE2 3.2Å | ||
| 654 | P | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -45.3 | -44.6 | 174.3 | -34.1 | 36.7 | 0 | 0 | 0 | 114.9 | E590 L594 L628 L631 I633 L656 G657 V658 | E590-P654 HydrophobicContact CG-CG 4.49Å; L594-P654 HydrophobicContact CD2-CG 4.38Å; L628-P654 HydrophobicContact CD2-CB 4.12Å; L628-P654 HydrophobicContact CD2-CG 4.08Å; L631-P654 HydrophobicContact CD1-CB 4.05Å; I633-P654 HydrophobicContact CD1-CB 3.69Å; P654-L656 VanDerWaalsContact C-N 3.34Å; P654-L656 PolarHBondContact O-N 3.5Å; P654-G657 PolarHBondContact O-N 2.77Å; P654-V658 PolarHBondContact O-N 2.65Å |
| 655 | F | 96.5 | Very high | 96.4 | Very high | 24 Ų | 24 | 14.6 Ų | 14.6 | 11% | 0.105 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -50.3 | -49 | 171.5 | -64 | -31.9 | 0 | 0 | 0 | 113.8 | L627 L631 H653 A659 G798 F800 | L627-F655 HydrophobicContact CD1-CE1 3.78Å; L627-F655 HydrophobicContact CD1-CZ 3.78Å; L627-F655 HydrophobicContact CD2-CE1 4.11Å; L627-F655 HydrophobicContact CD2-CZ 4.06Å; L627-F655 HydrophobicContact CG-CE1 4.18Å; L627-F655 HydrophobicContact CG-CZ 4.39Å; L631-F655 HydrophobicContact CD1-CD1 3.69Å; L631-F655 HydrophobicContact CD1-CE1 3.88Å; L631-F655 HydrophobicContact CD2-CD1 4.02Å; L631-F655 HydrophobicContact CD2-CE1 4.31Å; L631-F655 HydrophobicContact CG-CD1 4.4Å; L631-F655 HydrophobicContact CG-CE1 4.45Å; H653-F655 VanDerWaalsContact C-N 3.25Å; H653-F655 AromaticContact CE1-CD2 3.23Å; H653-F655 WeakPolarHBondContact CE1-CD2 3.45Å; H653-F655 AromaticContact CE1-CE2 3.51Å; H653-F655 AromaticContact CE1-CG 3.63Å; H653-F655 WeakPolarHBondContact ND1-CB 3.39Å; H653-F655 AromaticContact ND1-CD2 3.24Å; H653-F655 WeakPolarHBondContact ND1-CD2 3.28Å; H653-F655 AromaticContact ND1-CG 3.35Å; H653-F655 WeakPolarHBondContact ND1-CG 3.1Å; H653-F655 PolarHBondContact ND1-N 3.3Å; H653-F655 VanDerWaalsContact ND1-N 3.14Å; H653-F655 PolarHBondContact O-N 2.51Å; H653-F655 VanDerWaalsContact O-N 3.12Å; F655-A659 WeakPolarHBondContact O-CB 3.38Å; F655-A659 PolarHBondContact O-N 3.19Å; F655-G798 VanDerWaalsContact CA-O 3.3Å; F655-G798 WeakPolarHBondContact CA-O 3.36Å; F655-G798 WeakPolarHBondContact CB-O 3.13Å; F655-G798 WeakPolarHBondContact CD1-O 3.36Å; F655-G798 WeakPolarHBondContact CG-O 3.2Å; F655-G798 CarbonylContact O-C 3.55Å; F655-G798 WeakPolarHBondContact O-CA 3.48Å; F655-F800 HydrophobicContact CE1-CB 4.15Å |
| 656 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.3 | -35.4 | -179.2 | -61.3 | 176.2 | 0 | 0 | 0 | 110.8 | C652 H653 P654 A659 L660 A676 Y679 E680 Y856 | C652-L656 HydrophobicContact CB-CB 4.16Å; C652-L656 HydrophobicContact CB-CD1 4.35Å; H653-L656 HydrophobicContact CB-CD1 4.24Å; H653-L656 HydrophobicContact CB-CG 4.23Å; H653-L656 WeakPolarHBondContact O-CA 3.42Å; H653-L656 WeakPolarHBondContact O-CB 3.48Å; H653-L656 PolarHBondContact O-N 2.78Å; P654-L656 VanDerWaalsContact C-N 3.34Å; P654-L656 PolarHBondContact O-N 3.5Å; L656-A659 PolarHBondContact O-N 3.24Å; L656-L660 WeakPolarHBondContact O-CB 3.48Å; L656-L660 VanDerWaalsContact O-CG 3.31Å; L656-L660 WeakPolarHBondContact O-CG 3.22Å; L656-L660 PolarHBondContact O-N 2.76Å; L656-A676 HydrophobicContact CB-CB 4.15Å; L656-A676 HydrophobicContact CD1-CB 4.32Å; L656-A676 HydrophobicContact CD2-CB 4.37Å; L656-Y679 HydrophobicContact CD2-CD2 4.45Å; L656-E680 HydrophobicContact CD1-CB 4.25Å; L656-Y856 HydrophobicContact CD1-CE2 4.05Å; L656-Y856 HydrophobicContact CD2-CD2 4.26Å; L656-Y856 HydrophobicContact CD2-CE2 3.78Å; L656-Y856 HydrophobicContact CG-CE2 3.91Å |
| 657 | G | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H653 P654 L660 L661 | H653-G657 PolarHBondContact O-N 3.29Å; P654-G657 PolarHBondContact O-N 2.77Å; G657-L660 PolarHBondContact O-N 3.44Å; G657-L661 WeakPolarHBondContact O-CG 3.26Å; G657-L661 PolarHBondContact O-N 2.87Å; G657-L661 VanDerWaalsContact O-N 3.11Å |
| 658 | V | 98.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 9.1 Ų | 9.1 | 3% | 0.03 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L631 I633 V643 V647 P654 L660 L661 Y662 | L631-V658 HydrophobicContact CB-CG2 4.43Å; L631-V658 HydrophobicContact CD2-CG2 4.43Å; I633-V658 HydrophobicContact CD1-CG2 4.03Å; I633-V658 HydrophobicContact CG1-CG2 4.18Å; V643-V658 HydrophobicContact CG1-CG2 4.06Å; V647-V658 HydrophobicContact CG2-CG2 4.02Å; P654-V658 PolarHBondContact O-N 2.65Å; V658-L660 VanDerWaalsContact C-N 3.31Å; V658-L660 PolarHBondContact O-N 3Å; V658-L661 PolarHBondContact O-N 3.08Å; V658-L661 VanDerWaalsContact O-N 3.14Å; V658-Y662 HydrophobicContact CG1-CD2 3.84Å; V658-Y662 HydrophobicContact CG1-CE2 3.96Å; V658-Y662 WeakPolarHBondContact O-CD2 3.41Å; V658-Y662 PolarHBondContact O-N 2.91Å |
| 659 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F655 L656 Y662 S663 M672 L795 | F655-A659 WeakPolarHBondContact O-CB 3.38Å; F655-A659 PolarHBondContact O-N 3.19Å; L656-A659 PolarHBondContact O-N 3.24Å; A659-Y662 PolarHBondContact O-N 3.06Å; A659-S663 WeakPolarHBondContact O-CB 3.31Å; A659-S663 PolarHBondContact O-N 2.96Å; A659-M672 HydrophobicContact CB-CE 4.43Å; A659-M672 HydrophobicContact CB-CG 4.37Å; A659-M672 HydrophobicContact CB-SD 3.78Å; A659-L795 HydrophobicContact CB-CD1 4.2Å |
| 660 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.7 | -76.5 | 167.6 | 0 | 0 | 0 | 112 | L656 G657 V658 S663 I664 M672 L673 A676 | L656-L660 WeakPolarHBondContact O-CB 3.48Å; L656-L660 VanDerWaalsContact O-CG 3.31Å; L656-L660 WeakPolarHBondContact O-CG 3.22Å; L656-L660 PolarHBondContact O-N 2.76Å; G657-L660 PolarHBondContact O-N 3.44Å; V658-L660 VanDerWaalsContact C-N 3.31Å; V658-L660 PolarHBondContact O-N 3Å; L660-S663 PolarHBondContact O-N 2.84Å; L660-S663 PolarHBondContact O-OG 2.99Å; L660-I664 WeakPolarHBondContact O-CG1 3.23Å; L660-I664 PolarHBondContact O-N 2.77Å; L660-M672 HydrophobicContact CD2-CB 4.16Å; L660-M672 HydrophobicContact CD2-CG 3.79Å; L660-M672 HydrophobicContact CG-CG 4.19Å; L660-L673 HydrophobicContact CD2-CD2 3.74Å; L660-L673 HydrophobicContact CD2-CG 4.08Å; L660-A676 HydrophobicContact CD1-CB 4.32Å; L660-A676 HydrophobicContact CD2-CB 4.44Å; L660-A676 HydrophobicContact CG-CB 4.4Å |
| 661 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 174.7 | -65.4 | 174.6 | 0 | 0 | 0 | 111.7 | V643 Y646 V647 F650 G657 V658 S663 I664 V665 F934 L938 | V643-L661 HydrophobicContact CG1-CD1 3.95Å; Y646-L661 HydrophobicContact CD2-CD2 4.47Å; Y646-L661 HydrophobicContact CG-CD2 4.2Å; V647-L661 HydrophobicContact CG2-CD1 3.78Å; F650-L661 HydrophobicContact CE2-CD1 4.46Å; F650-L661 HydrophobicContact CE2-CD2 3.84Å; F650-L661 HydrophobicContact CE2-CG 3.93Å; F650-L661 HydrophobicContact CZ-CD2 3.86Å; F650-L661 HydrophobicContact CZ-CG 4.47Å; G657-L661 WeakPolarHBondContact O-CG 3.26Å; G657-L661 PolarHBondContact O-N 2.87Å; G657-L661 VanDerWaalsContact O-N 3.11Å; V658-L661 PolarHBondContact O-N 3.08Å; V658-L661 VanDerWaalsContact O-N 3.14Å; L661-S663 VanDerWaalsContact C-N 3.3Å; L661-S663 PolarHBondContact O-N 3.18Å; L661-I664 HydrophobicContact CD2-CD1 4.4Å; L661-I664 PolarHBondContact O-N 3.29Å; L661-V665 PolarHBondContact O-N 2.97Å; L661-F934 HydrophobicContact CB-CE2 3.77Å; L661-F934 HydrophobicContact CB-CZ 3.91Å; L661-L938 HydrophobicContact CB-CD1 4.39Å; L661-L938 HydrophobicContact CB-CD2 4.45Å; L661-L938 HydrophobicContact CD1-CD1 3.99Å; L661-L938 HydrophobicContact CD2-CD2 4.09Å |
| 662 | Y | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 5.5 Ų | 5.5 | 4% | 0.043 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | 176.1 | -92.7 | -84.4 | 0 | 0 | 0 | 112 | V658 A659 I664 V665 F666 S797 H931 F934 | V658-Y662 HydrophobicContact CG1-CD2 3.84Å; V658-Y662 HydrophobicContact CG1-CE2 3.96Å; V658-Y662 WeakPolarHBondContact O-CD2 3.41Å; V658-Y662 PolarHBondContact O-N 2.91Å; A659-Y662 PolarHBondContact O-N 3.06Å; Y662-I664 VanDerWaalsContact C-N 3.25Å; Y662-I664 PolarHBondContact O-N 2.8Å; Y662-V665 PolarHBondContact O-N 3.37Å; Y662-F666 HydrophobicContact CD1-CE1 4.23Å; Y662-F666 HydrophobicContact CD1-CE2 4.18Å; Y662-F666 AromaticContact CD1-CZ 3.8Å; Y662-F666 HydrophobicContact CD1-CZ 3.8Å; Y662-F666 HydrophobicContact CE1-CZ 4.3Å; Y662-F666 WeakPolarHBondContact O-CB 3.24Å; Y662-F666 WeakPolarHBondContact O-CG 3.5Å; Y662-F666 PolarHBondContact O-N 3.04Å; Y662-S797 WeakPolarHBondContact CD1-OG 3.46Å; Y662-S797 VanDerWaalsContact CG-CB 3.42Å; Y662-H931 AromaticContact CZ-ND1 3.98Å; Y662-H931 PolarHBondContact OH-ND1 2.87Å; Y662-F934 AromaticContact CD1-CD2 3.76Å; Y662-F934 HydrophobicContact CD1-CD2 3.76Å; Y662-F934 HydrophobicContact CD1-CE2 4.13Å; Y662-F934 HydrophobicContact CD1-CG 4.22Å; Y662-F934 AromaticContact CD2-CD2 3.89Å; Y662-F934 HydrophobicContact CD2-CD2 3.89Å; Y662-F934 HydrophobicContact CD2-CE1 4.15Å; Y662-F934 AromaticContact CD2-CE2 3.44Å; Y662-F934 HydrophobicContact CD2-CE2 3.44Å; Y662-F934 VanDerWaalsContact CD2-CE2 3.44Å; Y662-F934 HydrophobicContact CD2-CG 4.42Å; Y662-F934 AromaticContact CD2-CZ 3.57Å; Y662-F934 HydrophobicContact CD2-CZ 3.57Å; Y662-F934 HydrophobicContact CE1-CB 3.88Å; Y662-F934 HydrophobicContact CE1-CD1 4.21Å; Y662-F934 AromaticContact CE1-CD2 3.68Å; Y662-F934 HydrophobicContact CE1-CD2 3.68Å; Y662-F934 HydrophobicContact CE1-CE2 4.25Å; Y662-F934 AromaticContact CE1-CG 3.65Å; Y662-F934 HydrophobicContact CE1-CG 3.65Å; Y662-F934 AromaticContact CE2-CD1 3.73Å; Y662-F934 HydrophobicContact CE2-CD1 3.73Å; Y662-F934 AromaticContact CE2-CD2 3.83Å; Y662-F934 HydrophobicContact CE2-CD2 3.83Å; Y662-F934 AromaticContact CE2-CE1 3.48Å; Y662-F934 HydrophobicContact CE2-CE1 3.48Å; Y662-F934 VanDerWaalsContact CE2-CE1 3.48Å; Y662-F934 AromaticContact CE2-CE2 3.59Å; Y662-F934 HydrophobicContact CE2-CE2 3.59Å; Y662-F934 AromaticContact CE2-CG 3.89Å; Y662-F934 HydrophobicContact CE2-CG 3.89Å; Y662-F934 AromaticContact CE2-CZ 3.39Å; Y662-F934 HydrophobicContact CE2-CZ 3.39Å; Y662-F934 AromaticContact CG-CD2 3.86Å; Y662-F934 HydrophobicContact CG-CD2 3.86Å; Y662-F934 AromaticContact CG-CE2 3.73Å; Y662-F934 HydrophobicContact CG-CE2 3.73Å; Y662-F934 HydrophobicContact CG-CZ 4.33Å; Y662-F934 AromaticContact CZ-CD1 3.52Å; Y662-F934 AromaticContact CZ-CD2 3.71Å; Y662-F934 AromaticContact CZ-CE1 3.81Å; Y662-F934 AromaticContact CZ-CE2 4Å; Y662-F934 AromaticContact CZ-CG 3.46Å; Y662-F934 VanDerWaalsContact CZ-CG 3.46Å; Y662-F934 WeakPolarHBondContact OH-CD1 3.45Å |
| 663 | S | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -65.9 | -28.4 | 178.7 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | A659 L660 L661 F666 R667 C668 M672 | A659-S663 WeakPolarHBondContact O-CB 3.31Å; A659-S663 PolarHBondContact O-N 2.96Å; L660-S663 PolarHBondContact O-N 2.84Å; L660-S663 PolarHBondContact O-OG 2.99Å; L661-S663 VanDerWaalsContact C-N 3.3Å; L661-S663 PolarHBondContact O-N 3.18Å; S663-F666 CarbonylContact O-C 3.49Å; S663-F666 PolarHBondContact O-N 2.79Å; S663-R667 WeakPolarHBondContact O-CA 3.42Å; S663-R667 PolarHBondContact O-N 2.86Å; S663-C668 WeakPolarHBondContact CB-O 3.45Å; S663-C668 PolarHBondContact O-N 2.86Å; S663-M672 VanDerWaalsContact CB-CB 3.44Å; S663-M672 WeakPolarHBondContact OG-CB 2.89Å |
| 664 | I | 95.4 | Very high | 97 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 3% | 0.026 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -66.9 | -49.4 | 171.6 | -58.6 | 162.4 | 0 | 0 | 0 | 110.3 | L660 L661 Y662 F666 R667 V669 L762 I767 I768 L781 L942 | L660-I664 WeakPolarHBondContact O-CG1 3.23Å; L660-I664 PolarHBondContact O-N 2.77Å; L661-I664 HydrophobicContact CD2-CD1 4.4Å; L661-I664 PolarHBondContact O-N 3.29Å; Y662-I664 VanDerWaalsContact C-N 3.25Å; Y662-I664 PolarHBondContact O-N 2.8Å; I664-F666 PolarHBondContact O-N 2.85Å; I664-R667 PolarHBondContact O-N 2.85Å; I664-R667 VanDerWaalsContact O-N 3.1Å; I664-V669 HydrophobicContact CB-CG2 4.09Å; I664-V669 HydrophobicContact CG1-CG2 3.65Å; I664-L762 HydrophobicContact CD1-CD2 4.02Å; I664-I767 HydrophobicContact CD1-CG1 3.97Å; I664-I767 HydrophobicContact CD1-CG2 3.73Å; I664-I768 HydrophobicContact CD1-CG2 4.23Å; I664-I768 HydrophobicContact CG1-CG2 4.49Å; I664-I768 HydrophobicContact CG2-CG2 4.4Å; I664-L781 HydrophobicContact CG2-CD2 4.13Å; I664-L942 HydrophobicContact CB-CD1 4.44Å; I664-L942 HydrophobicContact CG2-CD1 3.24Å |
| 665 | V | 94.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.006 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -62.8 | -33.5 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 111 | L661 Y662 R667 F933 F934 H957 | L661-V665 PolarHBondContact O-N 2.97Å; Y662-V665 PolarHBondContact O-N 3.37Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-F933 HydrophobicContact CG1-CD1 3.88Å; V665-F933 HydrophobicContact CG1-CE1 3.71Å; V665-F934 HydrophobicContact CB-CD2 4.42Å; V665-F934 HydrophobicContact CG2-CD2 3.85Å; V665-F934 HydrophobicContact CG2-CE2 4.48Å; V665-H957 PolarHBondContact O-CE1 2.94Å; V665-H957 VanDerWaalsContact O-CE1 3.3Å; V665-H957 PolarHBondContact O-NE2 3.25Å |
| 666 | F | 96.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 0% | 0.004 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.2 | 177.9 | -67.1 | -2.4 | 0 | 0 | 0 | 114.3 | Y662 S663 I664 C668 F784 V790 A793 A794 F883 L961 L964 | Y662-F666 HydrophobicContact CD1-CE1 4.23Å; Y662-F666 HydrophobicContact CD1-CE2 4.18Å; Y662-F666 AromaticContact CD1-CZ 3.8Å; Y662-F666 HydrophobicContact CD1-CZ 3.8Å; Y662-F666 HydrophobicContact CE1-CZ 4.3Å; Y662-F666 WeakPolarHBondContact O-CB 3.24Å; Y662-F666 WeakPolarHBondContact O-CG 3.5Å; Y662-F666 PolarHBondContact O-N 3.04Å; S663-F666 CarbonylContact O-C 3.49Å; S663-F666 PolarHBondContact O-N 2.79Å; I664-F666 PolarHBondContact O-N 2.85Å; F666-C668 VanDerWaalsContact C-N 3.31Å; F666-C668 PolarHBondContact O-N 2.81Å; F666-F784 WeakPolarHBondContact O-CB 3.4Å; F666-V790 HydrophobicContact CB-CG1 3.85Å; F666-V790 HydrophobicContact CD2-CG1 4.08Å; F666-V790 HydrophobicContact CG-CG1 4.23Å; F666-A793 HydrophobicContact CE2-CB 4.07Å; F666-A794 HydrophobicContact CD2-CB 3.83Å; F666-A794 HydrophobicContact CE2-CB 4.39Å; F666-F883 HydrophobicContact CE2-CD1 4.49Å; F666-F883 AromaticContact CE2-CE1 3.92Å; F666-F883 HydrophobicContact CE2-CE1 3.92Å; F666-F883 AromaticContact CE2-CZ 3.91Å; F666-F883 HydrophobicContact CE2-CZ 3.91Å; F666-F883 HydrophobicContact CZ-CD1 4.28Å; F666-F883 AromaticContact CZ-CE1 3.44Å; F666-F883 HydrophobicContact CZ-CE1 3.44Å; F666-F883 VanDerWaalsContact CZ-CE1 3.44Å; F666-F883 AromaticContact CZ-CZ 3.63Å; F666-F883 HydrophobicContact CZ-CZ 3.63Å; F666-L961 HydrophobicContact CB-CD2 4.26Å; F666-L961 HydrophobicContact CD1-CD2 3.91Å; F666-L961 HydrophobicContact CG-CD2 4.33Å; F666-L964 HydrophobicContact CD1-CD2 4.19Å; F666-L964 HydrophobicContact CD2-CD2 4.28Å; F666-L964 HydrophobicContact CE1-CD2 3.96Å; F666-L964 HydrophobicContact CE2-CD2 4.07Å; F666-L964 HydrophobicContact CG-CD2 4.38Å; F666-L964 HydrophobicContact CZ-CD2 3.92Å |
| 667 | R | 95.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 3.3 Ų | 3.3 | 14% | 0.143 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.3 | -179.5 | -54.4 | 179.4 | -173.2 | -179.3 | 4.5 | 112.1 | S663 I664 V665 P780 L781 N782 S783 F784 H957 T958 L961 | S663-R667 WeakPolarHBondContact O-CA 3.42Å; S663-R667 PolarHBondContact O-N 2.86Å; I664-R667 PolarHBondContact O-N 2.85Å; I664-R667 VanDerWaalsContact O-N 3.1Å; V665-R667 VanDerWaalsContact C-N 3.32Å; R667-P780 WeakPolarHBondContact CD-O 3.45Å; R667-L781 CarbonylContact C-O 3.58Å; R667-L781 WeakPolarHBondContact CA-O 3.3Å; R667-N782 CarbonylContact O-C 3.33Å; R667-N782 WeakPolarHBondContact O-CA 3.43Å; R667-S783 WeakPolarHBondContact CD-OG 3.32Å; R667-S783 PolarHBondContact O-N 2.85Å; R667-F784 HydrophobicContact CB-CD2 4.36Å; R667-F784 PolarHBondContact O-N 2.8Å; R667-H957 PolarHBondContact NE-CE1 3.43Å; R667-H957 PolarHBondContact NH2-ND1 3.32Å; R667-T958 PolarHBondContact NH1-OG1 2.95Å; R667-L961 HydrophobicContact CB-CD1 4.23Å; R667-L961 HydrophobicContact CG-CD1 3.86Å |
| 668 | C | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -138.7 | 44.9 | 176.1 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | S663 F666 P671 M672 L781 V791 | S663-C668 WeakPolarHBondContact CB-O 3.45Å; S663-C668 PolarHBondContact O-N 2.86Å; F666-C668 VanDerWaalsContact C-N 3.31Å; F666-C668 PolarHBondContact O-N 2.81Å; C668-P671 HydrophobicContact CB-CG 4.01Å; C668-P671 VanDerWaalsContact O-CD 3.26Å; C668-P671 WeakPolarHBondContact O-CD 3.42Å; C668-P671 WeakPolarHBondContact O-CG 3.38Å; C668-M672 PolarHBondContact O-N 2.85Å; C668-L781 PolarHBondContact N-O 3.06Å; C668-L781 VanDerWaalsContact N-O 3.16Å; C668-V791 HydrophobicContact CB-CG2 3.99Å | ||
| 669 | V | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | -174.5 | -178 | 0 | 0 | 0 | 0 | 113.3 | I664 M672 L673 L762 A774 L781 N782 | I664-V669 HydrophobicContact CB-CG2 4.09Å; I664-V669 HydrophobicContact CG1-CG2 3.65Å; V669-M672 CarbonylContact O-C 3.57Å; V669-M672 WeakPolarHBondContact O-CB 3.35Å; V669-M672 PolarHBondContact O-N 2.93Å; V669-M672 VanDerWaalsContact O-N 3.09Å; V669-L673 HydrophobicContact CG1-CD1 3.92Å; V669-L673 HydrophobicContact CG1-CG 4.1Å; V669-L673 WeakPolarHBondContact O-CG 3.39Å; V669-L673 PolarHBondContact O-N 2.61Å; V669-L762 HydrophobicContact CG1-CD1 3.9Å; V669-A774 HydrophobicContact CG1-CB 3.82Å; V669-L781 HydrophobicContact CG2-CB 4.07Å; V669-L781 PolarHBondContact N-O 3.28Å; V669-N782 PolarHBondContact N-OD1 3.43Å |
| 670 | E | 96.7 | Very high | 96 | Very high | 7 Ų | 7 | 6.4 Ų | 6.4 | 3% | 0.033 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -55.1 | -49.6 | -177.8 | -171.7 | -75.4 | 148 | 0 | 0 | 113 | M672 L673 C674 R719 K755 A774 L775 N777 N782 | E670-M672 VanDerWaalsContact C-N 3.28Å; E670-M672 PolarHBondContact O-N 3.18Å; E670-L673 PolarHBondContact O-N 2.99Å; E670-C674 PolarHBondContact O-N 2.87Å; E670-C674 VanDerWaalsContact O-N 3.1Å; E670-C674 PolarHBondContact O-SG 2.89Å; E670-C674 VanDerWaalsContact O-SG 3.42Å; E670-C674 PolarHBondContact OE1-SG 3.46Å; E670-R719 IonicContact OE1-NE 2.76Å; E670-R719 IonicContact OE2-CZ 4Å; E670-R719 VanDerWaalsContact OE2-CZ 3.28Å; E670-R719 IonicContact OE2-NE 3.08Å; E670-R719 PolarHBondContact OE2-NE 3.15Å; E670-R719 IonicContact OE2-NH2 3.33Å; E670-R719 PolarHBondContact OE2-NH2 3.12Å; E670-K755 IonicContact OE1-NZ 3.99Å; E670-K755 PolarHBondContact OE1-NZ 3.02Å; E670-A774 WeakPolarHBondContact CB-O 3.37Å; E670-L775 WeakPolarHBondContact CG-O 3.47Å; E670-N777 HydrophobicContact CG-CB 4.46Å; E670-N782 WeakPolarHBondContact CB-OD1 3.43Å; E670-N782 PolarHBondContact N-OD1 2.87Å |
| 671 | P | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.2 | -31.9 | 178 | 24.6 | -34.3 | 0 | 0 | 0 | 112.2 | C668 C674 I675 L715 V791 | C668-P671 HydrophobicContact CB-CG 4.01Å; C668-P671 VanDerWaalsContact O-CD 3.26Å; C668-P671 WeakPolarHBondContact O-CD 3.42Å; C668-P671 WeakPolarHBondContact O-CG 3.38Å; P671-C674 WeakPolarHBondContact O-CB 3.4Å; P671-C674 PolarHBondContact O-N 3.47Å; P671-I675 WeakPolarHBondContact O-CD1 3.32Å; P671-I675 VanDerWaalsContact O-CG1 3.31Å; P671-I675 WeakPolarHBondContact O-CG1 3.29Å; P671-I675 PolarHBondContact O-N 2.78Å; P671-L715 HydrophobicContact CB-CD1 3.6Å; P671-L715 HydrophobicContact CB-CD2 3.63Å; P671-L715 HydrophobicContact CB-CG 4.26Å; P671-V791 HydrophobicContact CB-CG1 4.15Å; P671-V791 HydrophobicContact CB-CG2 4.11Å; P671-V791 HydrophobicContact CG-CG1 4.41Å; P671-V791 HydrophobicContact CG-CG2 3.72Å |
| 672 | M | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.9 | -37.7 | 175.3 | -166.5 | 56.3 | 57.8 | 0 | 0 | 112.5 | A659 L660 S663 C668 V669 E670 C674 I675 A676 V791 A794 L795 | A659-M672 HydrophobicContact CB-CE 4.43Å; A659-M672 HydrophobicContact CB-CG 4.37Å; A659-M672 HydrophobicContact CB-SD 3.78Å; L660-M672 HydrophobicContact CD2-CB 4.16Å; L660-M672 HydrophobicContact CD2-CG 3.79Å; L660-M672 HydrophobicContact CG-CG 4.19Å; S663-M672 VanDerWaalsContact CB-CB 3.44Å; S663-M672 WeakPolarHBondContact OG-CB 2.89Å; C668-M672 PolarHBondContact O-N 2.85Å; V669-M672 CarbonylContact O-C 3.57Å; V669-M672 WeakPolarHBondContact O-CB 3.35Å; V669-M672 PolarHBondContact O-N 2.93Å; V669-M672 VanDerWaalsContact O-N 3.09Å; E670-M672 VanDerWaalsContact C-N 3.28Å; E670-M672 PolarHBondContact O-N 3.18Å; M672-C674 VanDerWaalsContact C-N 3.3Å; M672-C674 PolarHBondContact O-N 2.82Å; M672-I675 PolarHBondContact O-N 2.93Å; M672-I675 HydrophobicContact SD-CB 4.47Å; M672-A676 VanDerWaalsContact O-CB 3.24Å; M672-A676 WeakPolarHBondContact O-CB 3.06Å; M672-A676 PolarHBondContact O-N 3.41Å; M672-V791 HydrophobicContact CE-CG1 4.19Å; M672-V791 WeakPolarHBondContact CE-O 3.28Å; M672-A794 HydrophobicContact CE-CB 3.73Å; M672-L795 HydrophobicContact CE-CB 3.93Å; M672-L795 HydrophobicContact SD-CD1 4.04Å |
| 673 | L | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 172.3 | -75.2 | 171.7 | 0 | 0 | 0 | 110.9 | L660 V669 E670 S677 K755 F758 A759 L762 A774 L775 | L660-L673 HydrophobicContact CD2-CD2 3.74Å; L660-L673 HydrophobicContact CD2-CG 4.08Å; V669-L673 HydrophobicContact CG1-CD1 3.92Å; V669-L673 HydrophobicContact CG1-CG 4.1Å; V669-L673 WeakPolarHBondContact O-CG 3.39Å; V669-L673 PolarHBondContact O-N 2.61Å; E670-L673 PolarHBondContact O-N 2.99Å; L673-S677 VanDerWaalsContact O-CB 3.26Å; L673-S677 WeakPolarHBondContact O-CB 3.37Å; L673-S677 PolarHBondContact O-N 3.43Å; L673-S677 PolarHBondContact O-OG 3.35Å; L673-K755 HydrophobicContact CB-CG 3.98Å; L673-F758 HydrophobicContact CD2-CB 3.54Å; L673-A759 HydrophobicContact CD1-CB 4.03Å; L673-L762 HydrophobicContact CD2-CD1 4.11Å; L673-A774 HydrophobicContact CD1-CB 3.96Å; L673-L775 HydrophobicContact CD1-CD2 4.13Å |
| 674 | C | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.4 | -52.1 | 173.9 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | E670 P671 M672 S677 V678 L715 C718 K755 | E670-C674 PolarHBondContact O-N 2.87Å; E670-C674 VanDerWaalsContact O-N 3.1Å; E670-C674 PolarHBondContact O-SG 2.89Å; E670-C674 VanDerWaalsContact O-SG 3.42Å; E670-C674 PolarHBondContact OE1-SG 3.46Å; P671-C674 WeakPolarHBondContact O-CB 3.4Å; P671-C674 PolarHBondContact O-N 3.47Å; M672-C674 VanDerWaalsContact C-N 3.3Å; M672-C674 PolarHBondContact O-N 2.82Å; C674-S677 PolarHBondContact O-N 2.99Å; C674-V678 WeakPolarHBondContact O-CG2 3.05Å; C674-V678 PolarHBondContact O-N 3.39Å; C674-L715 HydrophobicContact CB-CD1 3.69Å; C674-C718 HydrophobicContact CB-CB 3.76Å; C674-C718 PolarHBondContact SG-SG 3.17Å; C674-K755 VanDerWaalsContact SG-CE 3.56Å; C674-K755 PolarHBondContact SG-NZ 3.39Å |
| 675 | I | 95.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | -178.4 | -68.7 | 163.9 | 0 | 0 | 0 | 111.1 | P671 M672 S677 V678 Y679 H711 V791 L795 | P671-I675 WeakPolarHBondContact O-CD1 3.32Å; P671-I675 VanDerWaalsContact O-CG1 3.31Å; P671-I675 WeakPolarHBondContact O-CG1 3.29Å; P671-I675 PolarHBondContact O-N 2.78Å; M672-I675 PolarHBondContact O-N 2.93Å; M672-I675 HydrophobicContact SD-CB 4.47Å; I675-S677 VanDerWaalsContact C-N 3.34Å; I675-S677 PolarHBondContact O-N 3.44Å; I675-V678 PolarHBondContact O-N 2.92Å; I675-Y679 HydrophobicContact CG2-CD2 3.61Å; I675-Y679 HydrophobicContact CG2-CE2 3.61Å; I675-Y679 WeakPolarHBondContact O-CD2 3.44Å; I675-Y679 PolarHBondContact O-N 2.84Å; I675-Y679 VanDerWaalsContact O-N 3.1Å; I675-H711 HydrophobicContact CD1-CB 3.99Å; I675-H711 HydrophobicContact CG1-CB 4.34Å; I675-V791 HydrophobicContact CD1-CG1 3.65Å; I675-L795 HydrophobicContact CG2-CD1 4.2Å; I675-L795 HydrophobicContact CG2-CD2 4.25Å |
| 676 | A | 96.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L656 L660 M672 Y679 E680 F758 | L656-A676 HydrophobicContact CB-CB 4.15Å; L656-A676 HydrophobicContact CD1-CB 4.32Å; L656-A676 HydrophobicContact CD2-CB 4.37Å; L660-A676 HydrophobicContact CD1-CB 4.32Å; L660-A676 HydrophobicContact CD2-CB 4.44Å; L660-A676 HydrophobicContact CG-CB 4.4Å; M672-A676 VanDerWaalsContact O-CB 3.24Å; M672-A676 WeakPolarHBondContact O-CB 3.06Å; M672-A676 PolarHBondContact O-N 3.41Å; A676-Y679 PolarHBondContact O-N 3.36Å; A676-E680 VanDerWaalsContact O-CB 3.31Å; A676-E680 WeakPolarHBondContact O-CB 3.46Å; A676-E680 PolarHBondContact O-N 3.12Å; A676-F758 HydrophobicContact CB-CD2 4.29Å; A676-F758 HydrophobicContact CB-CE2 4.28Å |
| 677 | S | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | L673 C674 I675 S681 L754 K755 | L673-S677 VanDerWaalsContact O-CB 3.26Å; L673-S677 WeakPolarHBondContact O-CB 3.37Å; L673-S677 PolarHBondContact O-N 3.43Å; L673-S677 PolarHBondContact O-OG 3.35Å; C674-S677 PolarHBondContact O-N 2.99Å; I675-S677 VanDerWaalsContact C-N 3.34Å; I675-S677 PolarHBondContact O-N 3.44Å; S677-S681 VanDerWaalsContact O-CB 3.25Å; S677-S681 WeakPolarHBondContact O-CB 3.47Å; S677-S681 PolarHBondContact O-N 3.04Å; S677-L754 WeakPolarHBondContact O-CD1 3.47Å; S677-K755 WeakPolarHBondContact OG-CA 3.13Å; S677-K755 WeakPolarHBondContact OG-CB 2.99Å; S677-K755 PolarHBondContact OG-N 3.47Å; S677-K755 VanDerWaalsContact OG-N 3.09Å |
| 678 | V | 92.5 | Very high | 87.7 | Confident | 11 Ų | 11 | 19.9 Ų | 19.9 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.2 | -47.4 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | C674 I675 E680 S681 G682 F685 T714 I751 | C674-V678 WeakPolarHBondContact O-CG2 3.05Å; C674-V678 PolarHBondContact O-N 3.39Å; I675-V678 PolarHBondContact O-N 2.92Å; V678-E680 PolarHBondContact O-N 3.49Å; V678-S681 PolarHBondContact O-N 2.69Å; V678-S681 PolarHBondContact O-OG 2.65Å; V678-G682 PolarHBondContact O-N 3.28Å; V678-F685 HydrophobicContact CB-CE2 4.49Å; V678-F685 HydrophobicContact CG1-CE2 4.32Å; V678-F685 HydrophobicContact CG2-CD2 4.36Å; V678-F685 HydrophobicContact CG2-CE2 3.38Å; V678-F685 HydrophobicContact CG2-CZ 3.86Å; V678-T714 HydrophobicContact CB-CG2 3.4Å; V678-T714 VanDerWaalsContact CB-CG2 3.4Å; V678-T714 HydrophobicContact CG1-CG2 3.6Å; V678-T714 HydrophobicContact CG2-CG2 3.48Å; V678-T714 VanDerWaalsContact CG2-CG2 3.48Å; V678-I751 HydrophobicContact CG2-CD1 4.23Å; V678-I751 HydrophobicContact CG2-CG2 3.6Å |
| 679 | Y | 91.5 | Very high | 85.5 | Confident | 20 Ų | 20 | 25 Ų | 25 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | -179.9 | -78.8 | -50.6 | 0 | 0 | 0 | 114.4 | L656 I675 A676 Y710 H711 Y856 G871 | L656-Y679 HydrophobicContact CD2-CD2 4.45Å; I675-Y679 HydrophobicContact CG2-CD2 3.61Å; I675-Y679 HydrophobicContact CG2-CE2 3.61Å; I675-Y679 WeakPolarHBondContact O-CD2 3.44Å; I675-Y679 PolarHBondContact O-N 2.84Å; I675-Y679 VanDerWaalsContact O-N 3.1Å; A676-Y679 PolarHBondContact O-N 3.36Å; Y679-Y710 WeakPolarHBondContact OH-CD1 3.42Å; Y679-H711 AromaticContact CE2-CE1 3.72Å; Y679-H711 AromaticContact CE2-ND1 3.41Å; Y679-H711 WeakPolarHBondContact CE2-ND1 3.39Å; Y679-H711 AromaticContact CZ-CE1 3.74Å; Y679-H711 AromaticContact CZ-ND1 3.56Å; Y679-H711 PolarHBondContact OH-CE1 3.19Å; Y679-H711 PolarHBondContact OH-ND1 2.85Å; Y679-Y856 AromaticContact CD1-CD1 3.24Å; Y679-Y856 HydrophobicContact CD1-CD1 3.24Å; Y679-Y856 HydrophobicContact CD1-CD2 4.16Å; Y679-Y856 AromaticContact CD1-CE1 3.77Å; Y679-Y856 HydrophobicContact CD1-CE1 3.77Å; Y679-Y856 AromaticContact CD1-CG 3.46Å; Y679-Y856 HydrophobicContact CD1-CG 3.46Å; Y679-Y856 VanDerWaalsContact CD1-CG 3.46Å; Y679-Y856 HydrophobicContact CD2-CD2 4.07Å; Y679-Y856 HydrophobicContact CD2-CG 4.1Å; Y679-Y856 AromaticContact CE1-CD1 3.84Å; Y679-Y856 HydrophobicContact CE1-CD1 3.84Å; Y679-Y856 AromaticContact CE1-CG 3.8Å; Y679-Y856 HydrophobicContact CE1-CG 3.8Å; Y679-Y856 HydrophobicContact CE2-CG 4.35Å; Y679-Y856 AromaticContact CG-CD1 3.72Å; Y679-Y856 HydrophobicContact CG-CD1 3.72Å; Y679-Y856 AromaticContact CG-CD2 3.87Å; Y679-Y856 HydrophobicContact CG-CD2 3.87Å; Y679-Y856 AromaticContact CG-CE1 3.96Å; Y679-Y856 HydrophobicContact CG-CE1 3.96Å; Y679-Y856 HydrophobicContact CG-CE2 4.13Å; Y679-Y856 AromaticContact CG-CG 3.67Å; Y679-Y856 HydrophobicContact CG-CG 3.67Å; Y679-G871 WeakPolarHBondContact OH-CA 3.49Å |
| 680 | E | 92.8 | Very high | 83.1 | Confident | 38 Ų | 38 | 26.1 Ų | 26.1 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -34.1 | 174.4 | -175.3 | 65.3 | -164.2 | 0 | 0 | 111.6 | R301 R591 C652 H653 L656 A676 V678 G682 F758 | R301-E680 IonicContact NH1-OE1 3.83Å; R591-E680 IonicContact CZ-OE2 2.85Å; R591-E680 IonicContact NH2-OE1 3.39Å; R591-E680 PolarHBondContact NH2-OE1 3.1Å; R591-E680 IonicContact NH2-OE2 3.92Å; R591-E680 PolarHBondContact NH2-OE2 2.98Å; C652-E680 WeakPolarHBondContact CA-OE2 3.47Å; C652-E680 HydrophobicContact CB-CB 4.37Å; C652-E680 HydrophobicContact CB-CG 4.26Å; H653-E680 PolarHBondContact N-OE2 3.2Å; L656-E680 HydrophobicContact CD1-CB 4.25Å; A676-E680 VanDerWaalsContact O-CB 3.31Å; A676-E680 WeakPolarHBondContact O-CB 3.46Å; A676-E680 PolarHBondContact O-N 3.12Å; V678-E680 PolarHBondContact O-N 3.49Å; E680-G682 VanDerWaalsContact C-N 3.25Å; E680-G682 PolarHBondContact O-N 3.3Å; E680-F758 HydrophobicContact CB-CE2 4.21Å; E680-F758 HydrophobicContact CB-CZ 3.87Å; E680-F758 HydrophobicContact CG-CZ 3.87Å |
| 681 | S | 87.4 | Confident | 80.9 | Confident | 18 Ų | 18 | 34 Ų | 34 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | 178.9 | 76.7 | 0 | 0 | 0 | 0 | 112.4 | S677 V678 E683 | S677-S681 VanDerWaalsContact O-CB 3.25Å; S677-S681 WeakPolarHBondContact O-CB 3.47Å; S677-S681 PolarHBondContact O-N 3.04Å; V678-S681 PolarHBondContact O-N 2.69Å; V678-S681 PolarHBondContact O-OG 2.65Å; S681-E683 PolarHBondContact O-N 3.34Å; S681-E683 WeakPolarHBondContact OG-CB 3.45Å; S681-E683 PolarHBondContact OG-N 2.64Å |
| 682 | G | 78.6 | Confident | 78.9 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 52% | 0.515 | 22% | 0.215 | S | C | . | . | trans | 65.8 | 5.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V678 E680 | V678-G682 PolarHBondContact O-N 3.28Å; E680-G682 VanDerWaalsContact C-N 3.25Å; E680-G682 PolarHBondContact O-N 3.3Å | ||
| 683 | E | 74.3 | Confident | 77.5 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | trans | -80 | 153.8 | 175.9 | -59.9 | -64.2 | 161.5 | 0 | 0 | 110.4 | R480 S681 A747 F750 I751 | R480-E683 VanDerWaalsContact O-OE2 3.07Å; S681-E683 PolarHBondContact O-N 3.34Å; S681-E683 WeakPolarHBondContact OG-CB 3.45Å; S681-E683 PolarHBondContact OG-N 2.64Å; E683-A747 HydrophobicContact CB-CB 4.26Å; E683-F750 HydrophobicContact CG-CD1 3.97Å; E683-F750 HydrophobicContact CG-CE1 4.39Å; E683-I751 HydrophobicContact CB-CD1 4.32Å | ||
| 684 | D | 74.4 | Confident | 76.4 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | trans | -100.7 | 139.9 | 165.7 | -157.4 | -33.5 | 0 | 0 | 0 | 108.3 | F686 A747 | D684-F686 PolarHBondContact O-N 2.77Å; D684-F686 WeakPolarHBondContact OD1-CD2 3.17Å; D684-F686 PolarHBondContact OD1-N 3.26Å; D684-F686 VanDerWaalsContact OD1-N 3.08Å; D684-A747 WeakPolarHBondContact O-CB 3.43Å | ||
| 685 | F | 82.1 | Confident | 75.4 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -67.4 | -27.2 | 172.6 | -86.1 | -72.1 | 0 | 0 | 0 | 111.4 | V678 L717 C718 A721 L743 S744 A748 I751 | V678-F685 HydrophobicContact CB-CE2 4.49Å; V678-F685 HydrophobicContact CG1-CE2 4.32Å; V678-F685 HydrophobicContact CG2-CD2 4.36Å; V678-F685 HydrophobicContact CG2-CE2 3.38Å; V678-F685 HydrophobicContact CG2-CZ 3.86Å; F685-L717 HydrophobicContact CB-CB 4.48Å; F685-L717 HydrophobicContact CB-CD1 3.93Å; F685-L717 HydrophobicContact CD1-CB 4.4Å; F685-L717 HydrophobicContact CD2-CB 3.58Å; F685-L717 HydrophobicContact CD2-CD1 3.87Å; F685-L717 HydrophobicContact CD2-CG 4.35Å; F685-L717 HydrophobicContact CE2-CB 3.72Å; F685-L717 HydrophobicContact CG-CB 3.94Å; F685-L717 HydrophobicContact CG-CD1 4.17Å; F685-L717 HydrophobicContact CZ-CB 4.23Å; F685-C718 HydrophobicContact CE2-CB 4.29Å; F685-C718 HydrophobicContact CZ-CB 3.85Å; F685-A721 HydrophobicContact CE1-CB 4.09Å; F685-L743 HydrophobicContact CB-CD2 4.3Å; F685-L743 CarbonylContact O-C 3.59Å; F685-L743 VanDerWaalsContact O-CA 3.27Å; F685-L743 WeakPolarHBondContact O-CA 3.35Å; F685-S744 PolarHBondContact O-N 2.97Å; F685-A748 HydrophobicContact CE1-CB 4.32Å; F685-I751 HydrophobicContact CD1-CD1 4.03Å; F685-I751 HydrophobicContact CD2-CD1 4.21Å; F685-I751 HydrophobicContact CE1-CD1 3.71Å; F685-I751 HydrophobicContact CE1-CG2 4.48Å; F685-I751 HydrophobicContact CE2-CD1 3.94Å; F685-I751 HydrophobicContact CG-CD1 4.26Å; F685-I751 HydrophobicContact CZ-CB 4.37Å; F685-I751 HydrophobicContact CZ-CD1 3.65Å; F685-I751 HydrophobicContact CZ-CG2 3.87Å |
| 686 | F | 77.6 | Confident | 74.5 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 140.2 | 178.2 | -60.2 | -69.3 | 0 | 0 | 0 | 111 | D684 M696 L699 F700 L717 L742 L743 L837 | D684-F686 PolarHBondContact O-N 2.77Å; D684-F686 WeakPolarHBondContact OD1-CD2 3.17Å; D684-F686 PolarHBondContact OD1-N 3.26Å; D684-F686 VanDerWaalsContact OD1-N 3.08Å; F686-M696 HydrophobicContact CB-CE 3.78Å; F686-M696 HydrophobicContact CB-CG 4.26Å; F686-M696 HydrophobicContact CB-SD 3.88Å; F686-M696 HydrophobicContact CD1-CG 3.85Å; F686-M696 HydrophobicContact CD2-CG 4.3Å; F686-M696 HydrophobicContact CD2-SD 4.36Å; F686-M696 HydrophobicContact CE1-CG 4.29Å; F686-M696 HydrophobicContact CG-CE 4.42Å; F686-M696 HydrophobicContact CG-CG 3.87Å; F686-M696 HydrophobicContact CG-SD 4.02Å; F686-L699 HydrophobicContact CE1-CD2 3.84Å; F686-L699 HydrophobicContact CE1-CG 4.23Å; F686-F700 AromaticContact CE2-CD2 3.94Å; F686-F700 HydrophobicContact CE2-CD2 3.94Å; F686-F700 HydrophobicContact CZ-CB 4.25Å; F686-F700 HydrophobicContact CZ-CD2 4.16Å; F686-L717 HydrophobicContact CE2-CD1 4.43Å; F686-L717 HydrophobicContact CZ-CD1 4.25Å; F686-L742 WeakPolarHBondContact CA-O 3.07Å; F686-L743 HydrophobicContact CD1-CD2 3.93Å; F686-L743 HydrophobicContact CE1-CD2 4.03Å; F686-L837 HydrophobicContact CD2-CD2 3.83Å; F686-L837 HydrophobicContact CE2-CD2 3.68Å |
| 687 | E | 67.4 | Low | 73.5 | Confident | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | trans | -59.7 | 144.7 | 171.1 | -72.6 | -159.2 | 149.2 | 0 | 0 | 110.8 | M689 L742 | E687-M689 PolarHBondContact O-N 3.07Å; E687-L742 PolarHBondContact N-O 3.01Å | ||
| 688 | S | 56.6 | Low | 72.8 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -66.1 | 98.8 | 168.9 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 689 | M | 51.4 | Low | 72.3 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | trans | 81 | 94.9 | 167.5 | -51.4 | -84.6 | -70.6 | 0 | 0 | 116.7 | E687 | E687-M689 PolarHBondContact O-N 3.07Š| ||
| 690 | P | 46.5 | Very low | 71.7 | Confident | 24 Ų | 24 | 61 Ų | 61 | 16% | 0.156 | 33% | 0.331 | C | S | . | . | trans | -68.4 | 143.5 | 132.4 | 0.2 | 17.4 | 0 | 0 | 0 | 108.5 | D692 M696 L742 | P690-D692 PolarHBondContact O-N 3.13Å; P690-D692 VanDerWaalsContact O-N 3.13Å; P690-M696 VanDerWaalsContact CD-CE 3.41Å; P690-M696 HydrophobicContact CG-CE 3.94Å; P690-L742 HydrophobicContact CB-CD2 4.42Å; P690-L742 HydrophobicContact CG-CD1 4.22Å; P690-L742 HydrophobicContact CG-CD2 4.09Å | ||
| 691 | D | 49.3 | Very low | 71.1 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 93% | 0.925 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -55.9 | -25.7 | 170.5 | -73.5 | -42.2 | 0 | 0 | 0 | 111.7 | ||
| 692 | D | 55.4 | Low | 70.9 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | trans | -101.8 | 103.1 | 175.9 | -154.6 | -25.5 | 0 | 0 | 0 | 112.5 | P690 S694 | P690-D692 PolarHBondContact O-N 3.13Å; P690-D692 VanDerWaalsContact O-N 3.13Å; D692-S694 PolarHBondContact O-N 3.3Å; D692-S694 WeakPolarHBondContact OD1-CB 3.5Å; D692-S694 PolarHBondContact OD1-N 3.08Å | ||
| 693 | K | 68 | Low | 71.1 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.8 | -11.7 | 174.4 | -71.4 | 172.5 | -178.8 | 157.5 | 0 | 112.9 | Q697 | K693-Q697 WeakPolarHBondContact O-CB 3.06Å; K693-Q697 PolarHBondContact O-N 2.61Å |
| 694 | S | 73.8 | Confident | 71.5 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.7 | -48.2 | -179.5 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | D692 M696 Q697 D698 | D692-S694 PolarHBondContact O-N 3.3Å; D692-S694 WeakPolarHBondContact OD1-CB 3.5Å; D692-S694 PolarHBondContact OD1-N 3.08Å; S694-M696 PolarHBondContact O-N 3.38Å; S694-Q697 CarbonylContact O-C 3.45Å; S694-Q697 WeakPolarHBondContact O-CA 3.17Å; S694-Q697 VanDerWaalsContact O-CB 3.32Å; S694-Q697 WeakPolarHBondContact O-CB 3.28Å; S694-Q697 PolarHBondContact O-N 2.91Å; S694-D698 VanDerWaalsContact O-CG 3.25Å; S694-D698 PolarHBondContact O-N 3.2Å |
| 695 | E | 76.2 | Confident | 71.6 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | -175.2 | -63.6 | -175.5 | 174.1 | 0 | 0 | 112.7 | Q697 D698 L699 L742 | E695-Q697 VanDerWaalsContact C-N 3.28Å; E695-Q697 PolarHBondContact O-N 2.84Å; E695-D698 PolarHBondContact O-N 2.92Å; E695-L699 PolarHBondContact O-N 3.17Å; E695-L742 HydrophobicContact CB-CD1 3.8Å |
| 696 | M | 75.5 | Confident | 71.3 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 15% | 0.148 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 174.2 | -176.6 | -170.7 | -63 | 0 | 0 | 111.3 | F686 P690 S694 F700 L742 | F686-M696 HydrophobicContact CB-CE 3.78Å; F686-M696 HydrophobicContact CB-CG 4.26Å; F686-M696 HydrophobicContact CB-SD 3.88Å; F686-M696 HydrophobicContact CD1-CG 3.85Å; F686-M696 HydrophobicContact CD2-CG 4.3Å; F686-M696 HydrophobicContact CD2-SD 4.36Å; F686-M696 HydrophobicContact CE1-CG 4.29Å; F686-M696 HydrophobicContact CG-CE 4.42Å; F686-M696 HydrophobicContact CG-CG 3.87Å; F686-M696 HydrophobicContact CG-SD 4.02Å; P690-M696 VanDerWaalsContact CD-CE 3.41Å; P690-M696 HydrophobicContact CG-CE 3.94Å; S694-M696 PolarHBondContact O-N 3.38Å; M696-F700 VanDerWaalsContact O-CB 3.23Å; M696-F700 WeakPolarHBondContact O-CB 3.17Å; M696-F700 PolarHBondContact O-N 2.88Å; M696-L742 HydrophobicContact CB-CD1 4.49Å |
| 697 | Q | 77.3 | Confident | 71.2 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.5 | -174 | 57.1 | 66.4 | 0 | 0 | 110.7 | K693 S694 E695 F700 D701 T840 | K693-Q697 WeakPolarHBondContact O-CB 3.06Å; K693-Q697 PolarHBondContact O-N 2.61Å; S694-Q697 CarbonylContact O-C 3.45Å; S694-Q697 WeakPolarHBondContact O-CA 3.17Å; S694-Q697 VanDerWaalsContact O-CB 3.32Å; S694-Q697 WeakPolarHBondContact O-CB 3.28Å; S694-Q697 PolarHBondContact O-N 2.91Å; E695-Q697 VanDerWaalsContact C-N 3.28Å; E695-Q697 PolarHBondContact O-N 2.84Å; Q697-F700 PolarHBondContact O-N 3.49Å; Q697-D701 PolarHBondContact NE2-OD1 3.18Å; Q697-D701 PolarHBondContact NE2-OD2 3.03Å; Q697-D701 WeakPolarHBondContact O-CB 3.46Å; Q697-D701 PolarHBondContact O-N 3.19Å; Q697-D701 VanDerWaalsContact O-OD2 3.14Å; Q697-T840 HydrophobicContact CG-CG2 4.46Å; Q697-T840 PolarHBondContact NE2-OG1 3.23Å |
| 698 | D | 80.3 | Confident | 71.9 | Confident | 95 Ų | 95 | 68 Ų | 68 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177.9 | -64.4 | -31.3 | 0 | 0 | 0 | 111.9 | S694 E695 D701 W702 | S694-D698 VanDerWaalsContact O-CG 3.25Å; S694-D698 PolarHBondContact O-N 3.2Å; E695-D698 PolarHBondContact O-N 2.92Å; D698-D701 PolarHBondContact O-N 2.88Å; D698-W702 WeakPolarHBondContact O-CB 3.42Å; D698-W702 PolarHBondContact O-N 2.99Å |
| 699 | L | 81.5 | Confident | 73.4 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.5 | 175.5 | 58 | 0 | 0 | 0 | 111.4 | F686 E695 W702 L703 N741 | F686-L699 HydrophobicContact CE1-CD2 3.84Å; F686-L699 HydrophobicContact CE1-CG 4.23Å; E695-L699 PolarHBondContact O-N 3.17Å; L699-W702 HydrophobicContact CD1-CE3 4.07Å; L699-W702 PolarHBondContact O-N 3.12Å; L699-L703 HydrophobicContact CD1-CD1 4.25Å; L699-L703 HydrophobicContact CD1-CG 4.32Å; L699-L703 HydrophobicContact CG-CD1 4.26Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.35Å; L699-N741 VanDerWaalsContact CD2-O 3.32Å; L699-N741 WeakPolarHBondContact CD2-O 3.11Å |
| 700 | F | 80.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.2 | -178.8 | -96.7 | 0 | 0 | 0 | 112 | F686 M696 Q697 L703 L704 Y710 V713 L837 | F686-F700 AromaticContact CE2-CD2 3.94Å; F686-F700 HydrophobicContact CE2-CD2 3.94Å; F686-F700 HydrophobicContact CZ-CB 4.25Å; F686-F700 HydrophobicContact CZ-CD2 4.16Å; M696-F700 VanDerWaalsContact O-CB 3.23Å; M696-F700 WeakPolarHBondContact O-CB 3.17Å; M696-F700 PolarHBondContact O-N 2.88Å; Q697-F700 PolarHBondContact O-N 3.49Å; F700-L703 PolarHBondContact O-N 2.87Å; F700-L704 HydrophobicContact CD1-CD1 3.7Å; F700-L704 HydrophobicContact CD1-CG 4.14Å; F700-L704 HydrophobicContact CE1-CD1 3.25Å; F700-L704 HydrophobicContact CE1-CD2 4.32Å; F700-L704 HydrophobicContact CE1-CG 3.74Å; F700-L704 HydrophobicContact CZ-CD1 3.98Å; F700-L704 HydrophobicContact CZ-CD2 4.23Å; F700-L704 HydrophobicContact CZ-CG 4.03Å; F700-L704 WeakPolarHBondContact O-CB 3.43Å; F700-L704 WeakPolarHBondContact O-CG 3.39Å; F700-L704 PolarHBondContact O-N 2.88Å; F700-Y710 AromaticContact CE2-CD2 3.78Å; F700-Y710 HydrophobicContact CE2-CD2 3.78Å; F700-Y710 AromaticContact CE2-CE2 3.43Å; F700-Y710 HydrophobicContact CE2-CE2 3.43Å; F700-Y710 VanDerWaalsContact CE2-CE2 3.43Å; F700-Y710 AromaticContact CZ-CD2 3.52Å; F700-Y710 HydrophobicContact CZ-CD2 3.52Å; F700-Y710 AromaticContact CZ-CE2 3.55Å; F700-Y710 HydrophobicContact CZ-CE2 3.55Å; F700-V713 HydrophobicContact CD2-CG1 3.99Å; F700-V713 HydrophobicContact CE2-CB 4.45Å; F700-V713 HydrophobicContact CE2-CG1 3.91Å; F700-V713 HydrophobicContact CE2-CG2 4.35Å; F700-L837 HydrophobicContact CB-CD2 4.28Å; F700-L837 HydrophobicContact CD1-CB 4.35Å; F700-L837 HydrophobicContact CD2-CB 4.45Å; F700-L837 HydrophobicContact CD2-CD2 3.64Å; F700-L837 HydrophobicContact CE1-CB 4.09Å; F700-L837 HydrophobicContact CE2-CB 4.23Å; F700-L837 HydrophobicContact CE2-CD2 4.07Å; F700-L837 HydrophobicContact CG-CD2 3.89Å; F700-L837 HydrophobicContact CZ-CB 4.05Å |
| 701 | D | 79.5 | Confident | 77.2 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.2 | -70.4 | -27.6 | 0 | 0 | 0 | 111.8 | Q697 D698 L704 G705 T840 | Q697-D701 PolarHBondContact NE2-OD1 3.18Å; Q697-D701 PolarHBondContact NE2-OD2 3.03Å; Q697-D701 WeakPolarHBondContact O-CB 3.46Å; Q697-D701 PolarHBondContact O-N 3.19Å; Q697-D701 VanDerWaalsContact O-OD2 3.14Å; D698-D701 PolarHBondContact O-N 2.88Å; D701-L704 PolarHBondContact O-N 2.81Å; D701-G705 PolarHBondContact O-N 3.04Å; D701-G705 VanDerWaalsContact O-N 3.07Å; D701-T840 VanDerWaalsContact CG-OG1 3.26Å; D701-T840 WeakPolarHBondContact OD1-CB 3.34Å; D701-T840 PolarHBondContact OD1-OG1 2.68Å; D701-T840 WeakPolarHBondContact OD2-CB 3.09Å; D701-T840 VanDerWaalsContact OD2-CG2 3.28Å; D701-T840 WeakPolarHBondContact OD2-CG2 3.47Å; D701-T840 PolarHBondContact OD2-OG1 3.01Å |
| 702 | W | 82.1 | Confident | 79 | Confident | 195 Ų | 195 | 53.3 Ų | 53.3 | 74% | 0.739 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 171.8 | 179.4 | 82 | 0 | 0 | 0 | 112.1 | D698 L699 G705 | D698-W702 WeakPolarHBondContact O-CB 3.42Å; D698-W702 PolarHBondContact O-N 2.99Å; L699-W702 HydrophobicContact CD1-CE3 4.07Å; L699-W702 PolarHBondContact O-N 3.12Å; W702-G705 PolarHBondContact O-N 3.13Å |
| 703 | L | 84.3 | Confident | 80.6 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 177.3 | -73 | 170.1 | 0 | 0 | 0 | 113 | L699 F700 G705 V713 L717 | L699-L703 HydrophobicContact CD1-CD1 4.25Å; L699-L703 HydrophobicContact CD1-CG 4.32Å; L699-L703 HydrophobicContact CG-CD1 4.26Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.35Å; F700-L703 PolarHBondContact O-N 2.87Å; L703-G705 VanDerWaalsContact C-N 3.3Å; L703-V713 HydrophobicContact CB-CB 4.39Å; L703-V713 HydrophobicContact CB-CG1 3.93Å; L703-V713 HydrophobicContact CB-CG2 3.99Å; L703-V713 HydrophobicContact CD1-CG1 4.01Å; L703-L717 HydrophobicContact CD1-CD1 4.24Å; L703-L717 HydrophobicContact CD1-CD2 3.68Å; L703-L717 HydrophobicContact CD1-CG 3.93Å |
| 704 | L | 81.7 | Confident | 81.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 174.9 | -85.7 | 176.1 | 0 | 0 | 0 | 110.7 | F700 D701 S707 V713 F841 | F700-L704 HydrophobicContact CD1-CD1 3.7Å; F700-L704 HydrophobicContact CD1-CG 4.14Å; F700-L704 HydrophobicContact CE1-CD1 3.25Å; F700-L704 HydrophobicContact CE1-CD2 4.32Å; F700-L704 HydrophobicContact CE1-CG 3.74Å; F700-L704 HydrophobicContact CZ-CD1 3.98Å; F700-L704 HydrophobicContact CZ-CD2 4.23Å; F700-L704 HydrophobicContact CZ-CG 4.03Å; F700-L704 WeakPolarHBondContact O-CB 3.43Å; F700-L704 WeakPolarHBondContact O-CG 3.39Å; F700-L704 PolarHBondContact O-N 2.88Å; D701-L704 PolarHBondContact O-N 2.81Å; L704-S707 PolarHBondContact O-N 3.37Å; L704-S707 PolarHBondContact O-OG 3.33Å; L704-V713 HydrophobicContact CB-CG2 4.29Å; L704-V713 HydrophobicContact CD2-CG2 3.63Å; L704-V713 HydrophobicContact CG-CG2 3.78Å; L704-F841 HydrophobicContact CD1-CB 4.27Å |
| 705 | G | 77.4 | Confident | 82.6 | Confident | 38 Ų | 38 | 41 Ų | 41 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 48.8 | -142.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D701 W702 L703 S707 | D701-G705 PolarHBondContact O-N 3.04Å; D701-G705 VanDerWaalsContact O-N 3.07Å; W702-G705 PolarHBondContact O-N 3.13Å; L703-G705 VanDerWaalsContact C-N 3.3Å; G705-S707 VanDerWaalsContact C-N 3.29Å; G705-S707 PolarHBondContact O-N 3.27Å |
| 706 | S | 74.2 | Confident | 83.3 | Confident | 97 Ų | 97 | 38.3 Ų | 38.3 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -83.7 | -0.8 | 176 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | Y708 | S706-Y708 VanDerWaalsContact C-N 3.33Å; S706-Y708 WeakPolarHBondContact O-CD2 3.32Å |
| 707 | S | 76.5 | Confident | 84 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -76 | -25.9 | -176.9 | 80 | 0 | 0 | 0 | 0 | 112.5 | L704 G705 S709 | L704-S707 PolarHBondContact O-N 3.37Å; L704-S707 PolarHBondContact O-OG 3.33Å; G705-S707 VanDerWaalsContact C-N 3.29Å; G705-S707 PolarHBondContact O-N 3.27Å; S707-S709 PolarHBondContact O-N 2.98Å; S707-S709 VanDerWaalsContact O-N 3.14Å; S707-S709 PolarHBondContact OG-N 3.43Å |
| 708 | Y | 82.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | trans | 51.3 | 37.7 | 179.4 | -62 | -45.1 | 0 | 0 | 0 | 112.9 | S706 F841 E844 N847 W849 M874 | S706-Y708 VanDerWaalsContact C-N 3.33Å; S706-Y708 WeakPolarHBondContact O-CD2 3.32Å; Y708-F841 AromaticContact CD1-CD2 3.09Å; Y708-F841 HydrophobicContact CD1-CD2 3.09Å; Y708-F841 AromaticContact CD1-CE2 3.35Å; Y708-F841 HydrophobicContact CD1-CE2 3.35Å; Y708-F841 HydrophobicContact CD1-CG 4.33Å; Y708-F841 HydrophobicContact CD2-CE2 4.06Å; Y708-F841 AromaticContact CE1-CD2 3.79Å; Y708-F841 HydrophobicContact CE1-CD2 3.79Å; Y708-F841 HydrophobicContact CE1-CE2 4.1Å; Y708-F841 AromaticContact CG-CD2 3.56Å; Y708-F841 HydrophobicContact CG-CD2 3.56Å; Y708-F841 AromaticContact CG-CE2 3.28Å; Y708-F841 HydrophobicContact CG-CE2 3.28Å; Y708-F841 HydrophobicContact CG-CZ 4.46Å; Y708-E844 PolarHBondContact OH-OE2 3.47Å; Y708-N847 HydrophobicContact CE2-CB 4.16Å; Y708-N847 WeakPolarHBondContact OH-CB 3.43Å; Y708-W849 AromaticContact CD2-NE1 3.94Å; Y708-M874 HydrophobicContact CD2-CE 3.71Å; Y708-M874 HydrophobicContact CD2-SD 4.17Å; Y708-M874 HydrophobicContact CG-CE 3.99Å; Y708-M874 PolarHBondContact O-N 2.95Å | ||
| 709 | S | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -132.7 | 112.6 | -173 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | S707 H711 T712 V713 K792 S873 | S707-S709 PolarHBondContact O-N 2.98Å; S707-S709 VanDerWaalsContact O-N 3.14Å; S707-S709 PolarHBondContact OG-N 3.43Å; S709-H711 PolarHBondContact O-N 2.91Å; S709-H711 PolarHBondContact OG-N 2.79Å; S709-T712 WeakPolarHBondContact CB-OG1 3.27Å; S709-T712 WeakPolarHBondContact O-CB 3.43Å; S709-T712 PolarHBondContact O-N 2.8Å; S709-T712 VanDerWaalsContact O-N 3.08Å; S709-T712 PolarHBondContact OG-N 2.85Å; S709-T712 PolarHBondContact OG-OG1 2.93Å; S709-V713 PolarHBondContact O-N 2.83Å; S709-K792 WeakPolarHBondContact OG-CE 3.47Å; S709-S873 WeakPolarHBondContact CA-OG 3.39Å; S709-S873 VanDerWaalsContact OG-CB 3.26Å; S709-S873 WeakPolarHBondContact OG-CB 3.36Å; S709-S873 PolarHBondContact OG-OG 2.92Å |
| 710 | Y | 87.5 | Confident | 85.8 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 14% | 0.137 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -32 | 172.9 | -163.5 | -82.2 | 0 | 0 | 0 | 111.9 | Y679 F700 T712 V713 T714 L872 S873 | Y679-Y710 WeakPolarHBondContact OH-CD1 3.42Å; F700-Y710 AromaticContact CE2-CD2 3.78Å; F700-Y710 HydrophobicContact CE2-CD2 3.78Å; F700-Y710 AromaticContact CE2-CE2 3.43Å; F700-Y710 HydrophobicContact CE2-CE2 3.43Å; F700-Y710 VanDerWaalsContact CE2-CE2 3.43Å; F700-Y710 AromaticContact CZ-CD2 3.52Å; F700-Y710 HydrophobicContact CZ-CD2 3.52Å; F700-Y710 AromaticContact CZ-CE2 3.55Å; F700-Y710 HydrophobicContact CZ-CE2 3.55Å; Y710-T712 VanDerWaalsContact C-N 3.33Å; Y710-T712 PolarHBondContact O-N 3.24Å; Y710-V713 WeakPolarHBondContact O-CB 3.3Å; Y710-V713 PolarHBondContact O-N 3.39Å; Y710-T714 WeakPolarHBondContact CD1-OG1 3.45Å; Y710-T714 WeakPolarHBondContact CE1-OG1 3.37Å; Y710-T714 WeakPolarHBondContact O-CB 3.49Å; Y710-T714 PolarHBondContact O-N 2.88Å; Y710-T714 PolarHBondContact O-OG1 3.36Å; Y710-L872 WeakPolarHBondContact CB-O 3.43Å; Y710-L872 PolarHBondContact N-O 2.82Å; Y710-L872 VanDerWaalsContact N-O 3.14Å; Y710-S873 PolarHBondContact N-OG 2.9Å; Y710-S873 VanDerWaalsContact N-OG 3.08Å |
| 711 | H | 89 | Confident | 86.4 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -36.1 | 176.6 | -50.1 | -39.1 | 0 | 0 | 0 | 112.2 | I675 Y679 S709 T714 L715 L795 G871 S873 | I675-H711 HydrophobicContact CD1-CB 3.99Å; I675-H711 HydrophobicContact CG1-CB 4.34Å; Y679-H711 AromaticContact CE2-CE1 3.72Å; Y679-H711 AromaticContact CE2-ND1 3.41Å; Y679-H711 WeakPolarHBondContact CE2-ND1 3.39Å; Y679-H711 AromaticContact CZ-CE1 3.74Å; Y679-H711 AromaticContact CZ-ND1 3.56Å; Y679-H711 PolarHBondContact OH-CE1 3.19Å; Y679-H711 PolarHBondContact OH-ND1 2.85Å; S709-H711 PolarHBondContact O-N 2.91Å; S709-H711 PolarHBondContact OG-N 2.79Å; H711-T714 WeakPolarHBondContact O-CB 3.4Å; H711-T714 PolarHBondContact O-N 2.91Å; H711-L715 VanDerWaalsContact O-CB 3.29Å; H711-L715 WeakPolarHBondContact O-CB 3.46Å; H711-L715 PolarHBondContact O-N 2.95Å; H711-L795 HydrophobicContact CB-CD2 4.41Å; H711-L795 WeakPolarHBondContact CD2-CD2 3.32Å; H711-L795 VanDerWaalsContact CE1-CD2 3.45Å; H711-L795 WeakPolarHBondContact CE1-CD2 3.28Å; H711-L795 VanDerWaalsContact CG-CD2 3.48Å; H711-L795 WeakPolarHBondContact NE2-CD2 3.25Å; H711-G871 PolarHBondContact CE1-O 2.91Å; H711-S873 WeakPolarHBondContact CD2-CB 3.47Å; H711-S873 PolarHBondContact CD2-OG 2.78Å; H711-S873 VanDerWaalsContact CG-OG 3.24Å; H711-S873 PolarHBondContact N-OG 3.26Å; H711-S873 WeakPolarHBondContact NE2-CB 3.45Å; H711-S873 PolarHBondContact NE2-OG 3.14Å; H711-S873 VanDerWaalsContact NE2-OG 3.1Å |
| 712 | T | 88.3 | Confident | 87.1 | Confident | 25 Ų | 25 | 33 Ų | 33 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 173.4 | -53 | 0 | 0 | 0 | 0 | 111.1 | S709 Y710 T714 L715 S716 T788 | S709-T712 WeakPolarHBondContact CB-OG1 3.27Å; S709-T712 WeakPolarHBondContact O-CB 3.43Å; S709-T712 PolarHBondContact O-N 2.8Å; S709-T712 VanDerWaalsContact O-N 3.08Å; S709-T712 PolarHBondContact OG-N 2.85Å; S709-T712 PolarHBondContact OG-OG1 2.93Å; Y710-T712 VanDerWaalsContact C-N 3.33Å; Y710-T712 PolarHBondContact O-N 3.24Å; T712-T714 VanDerWaalsContact C-N 3.35Å; T712-T714 PolarHBondContact O-N 3.48Å; T712-L715 PolarHBondContact O-N 2.81Å; T712-S716 WeakPolarHBondContact O-CB 3.47Å; T712-S716 PolarHBondContact O-N 3.05Å; T712-S716 PolarHBondContact O-OG 3.22Å; T712-S716 VanDerWaalsContact O-OG 3.07Å; T712-T788 WeakPolarHBondContact OG1-CG2 3.32Å |
| 713 | V | 88.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | F700 L703 L704 S709 Y710 L715 S716 L717 | F700-V713 HydrophobicContact CD2-CG1 3.99Å; F700-V713 HydrophobicContact CE2-CB 4.45Å; F700-V713 HydrophobicContact CE2-CG1 3.91Å; F700-V713 HydrophobicContact CE2-CG2 4.35Å; L703-V713 HydrophobicContact CB-CB 4.39Å; L703-V713 HydrophobicContact CB-CG1 3.93Å; L703-V713 HydrophobicContact CB-CG2 3.99Å; L703-V713 HydrophobicContact CD1-CG1 4.01Å; L704-V713 HydrophobicContact CB-CG2 4.29Å; L704-V713 HydrophobicContact CD2-CG2 3.63Å; L704-V713 HydrophobicContact CG-CG2 3.78Å; S709-V713 PolarHBondContact O-N 2.83Å; Y710-V713 WeakPolarHBondContact O-CB 3.3Å; Y710-V713 PolarHBondContact O-N 3.39Å; V713-L715 VanDerWaalsContact C-N 3.32Å; V713-L715 PolarHBondContact O-N 3.13Å; V713-S716 PolarHBondContact O-N 3.02Å; V713-L717 HydrophobicContact CG1-CD1 3.83Å; V713-L717 HydrophobicContact CG1-CG 4.41Å; V713-L717 WeakPolarHBondContact O-CG 3.45Å; V713-L717 PolarHBondContact O-N 3.4Å |
| 714 | T | 90.2 | Very high | 87.9 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.6 | -45.9 | 178.4 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | V678 Y710 H711 T712 C718 | V678-T714 HydrophobicContact CB-CG2 3.4Å; V678-T714 VanDerWaalsContact CB-CG2 3.4Å; V678-T714 HydrophobicContact CG1-CG2 3.6Å; V678-T714 HydrophobicContact CG2-CG2 3.48Å; V678-T714 VanDerWaalsContact CG2-CG2 3.48Å; Y710-T714 WeakPolarHBondContact CD1-OG1 3.45Å; Y710-T714 WeakPolarHBondContact CE1-OG1 3.37Å; Y710-T714 WeakPolarHBondContact O-CB 3.49Å; Y710-T714 PolarHBondContact O-N 2.88Å; Y710-T714 PolarHBondContact O-OG1 3.36Å; H711-T714 WeakPolarHBondContact O-CB 3.4Å; H711-T714 PolarHBondContact O-N 2.91Å; T712-T714 VanDerWaalsContact C-N 3.35Å; T712-T714 PolarHBondContact O-N 3.48Å; T714-C718 WeakPolarHBondContact O-CB 3.47Å; T714-C718 PolarHBondContact O-N 3.23Å |
| 715 | L | 92.2 | Very high | 88.3 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 177.3 | 175.8 | 58.6 | 0 | 0 | 0 | 111.8 | P671 C674 H711 T712 V713 L717 C718 R719 | P671-L715 HydrophobicContact CB-CD1 3.6Å; P671-L715 HydrophobicContact CB-CD2 3.63Å; P671-L715 HydrophobicContact CB-CG 4.26Å; C674-L715 HydrophobicContact CB-CD1 3.69Å; H711-L715 VanDerWaalsContact O-CB 3.29Å; H711-L715 WeakPolarHBondContact O-CB 3.46Å; H711-L715 PolarHBondContact O-N 2.95Å; T712-L715 PolarHBondContact O-N 2.81Å; V713-L715 VanDerWaalsContact C-N 3.32Å; V713-L715 PolarHBondContact O-N 3.13Å; L715-L717 PolarHBondContact O-N 2.91Å; L715-C718 PolarHBondContact O-N 3.13Å; L715-R719 HydrophobicContact CD1-CG 4.14Å; L715-R719 WeakPolarHBondContact O-CB 3.46Å; L715-R719 WeakPolarHBondContact O-CG 3.37Å; L715-R719 PolarHBondContact O-N 2.97Å |
| 716 | S | 91.1 | Very high | 88.9 | Confident | 50 Ų | 50 | 33.9 Ų | 33.9 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.2 | -65 | 0 | 0 | 0 | 0 | 111.7 | T712 V713 R719 A720 | T712-S716 WeakPolarHBondContact O-CB 3.47Å; T712-S716 PolarHBondContact O-N 3.05Å; T712-S716 PolarHBondContact O-OG 3.22Å; T712-S716 VanDerWaalsContact O-OG 3.07Å; V713-S716 PolarHBondContact O-N 3.02Å; S716-R719 PolarHBondContact O-N 2.94Å; S716-A720 WeakPolarHBondContact O-CB 3.29Å; S716-A720 PolarHBondContact O-N 2.59Å |
| 717 | L | 91.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.1 | -71.3 | 171 | 0 | 0 | 0 | 112 | F685 F686 L703 V713 L715 A720 A721 L743 | F685-L717 HydrophobicContact CB-CB 4.48Å; F685-L717 HydrophobicContact CB-CD1 3.93Å; F685-L717 HydrophobicContact CD1-CB 4.4Å; F685-L717 HydrophobicContact CD2-CB 3.58Å; F685-L717 HydrophobicContact CD2-CD1 3.87Å; F685-L717 HydrophobicContact CD2-CG 4.35Å; F685-L717 HydrophobicContact CE2-CB 3.72Å; F685-L717 HydrophobicContact CG-CB 3.94Å; F685-L717 HydrophobicContact CG-CD1 4.17Å; F685-L717 HydrophobicContact CZ-CB 4.23Å; F686-L717 HydrophobicContact CE2-CD1 4.43Å; F686-L717 HydrophobicContact CZ-CD1 4.25Å; L703-L717 HydrophobicContact CD1-CD1 4.24Å; L703-L717 HydrophobicContact CD1-CD2 3.68Å; L703-L717 HydrophobicContact CD1-CG 3.93Å; V713-L717 HydrophobicContact CG1-CD1 3.83Å; V713-L717 HydrophobicContact CG1-CG 4.41Å; V713-L717 WeakPolarHBondContact O-CG 3.45Å; V713-L717 PolarHBondContact O-N 3.4Å; L715-L717 PolarHBondContact O-N 2.91Å; L717-A720 PolarHBondContact O-N 3.39Å; L717-A721 VanDerWaalsContact O-CB 3.29Å; L717-A721 WeakPolarHBondContact O-CB 3.49Å; L717-A721 PolarHBondContact O-N 2.81Å; L717-L743 HydrophobicContact CD2-CD1 4.15Å; L717-L743 HydrophobicContact CD2-CD2 3.79Å |
| 718 | C | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 178.3 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | C674 F685 T714 L715 A721 A722 | C674-C718 HydrophobicContact CB-CB 3.76Å; C674-C718 PolarHBondContact SG-SG 3.17Å; F685-C718 HydrophobicContact CE2-CB 4.29Å; F685-C718 HydrophobicContact CZ-CB 3.85Å; T714-C718 WeakPolarHBondContact O-CB 3.47Å; T714-C718 PolarHBondContact O-N 3.23Å; L715-C718 PolarHBondContact O-N 3.13Å; C718-A721 PolarHBondContact O-N 3.29Å; C718-A722 WeakPolarHBondContact O-CB 3.31Å; C718-A722 PolarHBondContact O-N 3.27Å |
| 719 | R | 92.4 | Very high | 90.6 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 175.4 | -76.5 | 178.6 | 172.4 | 171 | -1 | 112.1 | E670 L715 S716 A721 A722 E723 | E670-R719 IonicContact OE1-NE 2.76Å; E670-R719 IonicContact OE2-CZ 4Å; E670-R719 VanDerWaalsContact OE2-CZ 3.28Å; E670-R719 IonicContact OE2-NE 3.08Å; E670-R719 PolarHBondContact OE2-NE 3.15Å; E670-R719 IonicContact OE2-NH2 3.33Å; E670-R719 PolarHBondContact OE2-NH2 3.12Å; L715-R719 HydrophobicContact CD1-CG 4.14Å; L715-R719 WeakPolarHBondContact O-CB 3.46Å; L715-R719 WeakPolarHBondContact O-CG 3.37Å; L715-R719 PolarHBondContact O-N 2.97Å; S716-R719 PolarHBondContact O-N 2.94Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 2.92Å; R719-A722 PolarHBondContact O-N 3.08Å; R719-E723 PolarHBondContact O-N 2.91Å |
| 720 | A | 91.5 | Very high | 90.6 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S716 L717 A722 E723 V724 | S716-A720 WeakPolarHBondContact O-CB 3.29Å; S716-A720 PolarHBondContact O-N 2.59Å; L717-A720 PolarHBondContact O-N 3.39Å; A720-A722 VanDerWaalsContact C-N 3.33Å; A720-A722 PolarHBondContact O-N 3.16Å; A720-E723 PolarHBondContact O-N 3.23Å; A720-V724 VanDerWaalsContact O-CG2 3.26Å; A720-V724 WeakPolarHBondContact O-CG2 3.39Å; A720-V724 PolarHBondContact O-N 3.18Å |
| 721 | A | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F685 L717 C718 R719 S725 F738 A748 L752 | F685-A721 HydrophobicContact CE1-CB 4.09Å; L717-A721 VanDerWaalsContact O-CB 3.29Å; L717-A721 WeakPolarHBondContact O-CB 3.49Å; L717-A721 PolarHBondContact O-N 2.81Å; C718-A721 PolarHBondContact O-N 3.29Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 2.92Å; A721-S725 VanDerWaalsContact O-CB 3.24Å; A721-S725 WeakPolarHBondContact O-CB 3.46Å; A721-S725 PolarHBondContact O-N 3.46Å; A721-S725 PolarHBondContact O-OG 3.04Å; A721-F738 HydrophobicContact CB-CE1 4.08Å; A721-F738 HydrophobicContact CB-CZ 4.19Å; A721-A748 HydrophobicContact CB-CB 3.89Å; A721-L752 HydrophobicContact CB-CD1 4.27Å |
| 722 | A | 92.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | C718 R719 A720 S725 A726 L752 | C718-A722 WeakPolarHBondContact O-CB 3.31Å; C718-A722 PolarHBondContact O-N 3.27Å; R719-A722 PolarHBondContact O-N 3.08Å; A720-A722 VanDerWaalsContact C-N 3.33Å; A720-A722 PolarHBondContact O-N 3.16Å; A722-S725 PolarHBondContact O-N 3.29Å; A722-A726 VanDerWaalsContact O-CB 3.29Å; A722-A726 WeakPolarHBondContact O-CB 3.08Å; A722-A726 PolarHBondContact O-N 2.62Å; A722-L752 HydrophobicContact CB-CD2 3.8Å |
| 723 | E | 92.4 | Very high | 90.9 | Very high | 149 Ų | 149 | 54.7 Ų | 54.7 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 178.4 | -176.1 | 172 | -174.1 | 0 | 0 | 111.8 | R719 A720 S725 A726 S727 | R719-E723 PolarHBondContact O-N 2.91Å; A720-E723 PolarHBondContact O-N 3.23Å; E723-S725 VanDerWaalsContact C-N 3.32Å; E723-S725 PolarHBondContact O-N 3.18Å; E723-A726 PolarHBondContact O-N 3.01Å; E723-S727 PolarHBondContact O-N 3.1Å |
| 724 | V | 92.2 | Very high | 91 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | A720 A726 S727 R734 F737 F738 | A720-V724 VanDerWaalsContact O-CG2 3.26Å; A720-V724 WeakPolarHBondContact O-CG2 3.39Å; A720-V724 PolarHBondContact O-N 3.18Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.46Å; V724-S727 WeakPolarHBondContact O-CB 3.27Å; V724-S727 PolarHBondContact O-N 3.27Å; V724-S727 PolarHBondContact O-OG 3.49Å; V724-R734 HydrophobicContact CG1-CB 4.01Å; V724-R734 HydrophobicContact CG1-CG 3.86Å; V724-R734 WeakPolarHBondContact O-CD 3.35Å; V724-F737 HydrophobicContact CB-CD1 4.39Å; V724-F737 HydrophobicContact CG1-CD1 3.96Å; V724-F737 HydrophobicContact CG1-CG 4.44Å; V724-F737 HydrophobicContact CG2-CD1 3.56Å; V724-F737 HydrophobicContact CG2-CE1 3.37Å; V724-F737 HydrophobicContact CG2-CG 4.31Å; V724-F737 HydrophobicContact CG2-CZ 3.94Å; V724-F738 HydrophobicContact CB-CE2 4.37Å; V724-F738 HydrophobicContact CB-CZ 4.08Å; V724-F738 HydrophobicContact CG1-CD2 4.36Å; V724-F738 HydrophobicContact CG1-CE2 3.71Å; V724-F738 HydrophobicContact CG1-CZ 3.93Å |
| 725 | S | 89.6 | Confident | 90.9 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 178.7 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | A721 A722 E723 R734 L752 | A721-S725 VanDerWaalsContact O-CB 3.24Å; A721-S725 WeakPolarHBondContact O-CB 3.46Å; A721-S725 PolarHBondContact O-N 3.46Å; A721-S725 PolarHBondContact O-OG 3.04Å; A722-S725 PolarHBondContact O-N 3.29Å; E723-S725 VanDerWaalsContact C-N 3.32Å; E723-S725 PolarHBondContact O-N 3.18Å; S725-R734 PolarHBondContact O-NH1 3.13Å; S725-L752 WeakPolarHBondContact OG-CD1 3.26Å |
| 726 | A | 89.3 | Confident | 90.7 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -84.9 | -9.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | A722 E723 V724 | A722-A726 VanDerWaalsContact O-CB 3.29Å; A722-A726 WeakPolarHBondContact O-CB 3.08Å; A722-A726 PolarHBondContact O-N 2.62Å; E723-A726 PolarHBondContact O-N 3.01Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.46Å |
| 727 | S | 90.7 | Very high | 90.7 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -64 | 157.4 | 177.7 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | E723 V724 A729 | E723-S727 PolarHBondContact O-N 3.1Å; V724-S727 WeakPolarHBondContact O-CB 3.27Å; V724-S727 PolarHBondContact O-N 3.27Å; V724-S727 PolarHBondContact O-OG 3.49Å; S727-A729 PolarHBondContact O-N 3.23Å; S727-A729 VanDerWaalsContact O-N 3.15Å; S727-A729 WeakPolarHBondContact OG-CB 3.35Å; S727-A729 PolarHBondContact OG-N 3.35Å |
| 728 | S | 90.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 66.5 Ų | 66.5 | 96% | 0.958 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71.9 | 1.8 | 174.6 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 729 | A | 87.8 | Confident | 90.3 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | trans | -67.6 | 148.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S727 E733 R734 | S727-A729 PolarHBondContact O-N 3.23Å; S727-A729 VanDerWaalsContact O-N 3.15Å; S727-A729 WeakPolarHBondContact OG-CB 3.35Å; S727-A729 PolarHBondContact OG-N 3.35Å; A729-E733 VanDerWaalsContact CA-OE2 3.23Å; A729-E733 WeakPolarHBondContact CA-OE2 3.2Å; A729-E733 HydrophobicContact CB-CB 4.04Å; A729-E733 VanDerWaalsContact CB-OE2 3.32Å; A729-E733 WeakPolarHBondContact CB-OE2 3.33Å; A729-R734 HydrophobicContact CB-CG 3.93Å; A729-R734 PolarHBondContact O-NE 2.79Å | ||
| 730 | G | 89.6 | Confident | 90 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | trans | -62.2 | 163.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F732 E733 R734 | G730-F732 VanDerWaalsContact C-N 3.27Å; G730-F732 PolarHBondContact O-N 2.97Å; G730-E733 PolarHBondContact N-OE2 2.9Å; G730-E733 PolarHBondContact O-N 3.44Å; G730-R734 WeakPolarHBondContact O-CG 3.44Å; G730-R734 PolarHBondContact O-N 2.96Å; G730-R734 VanDerWaalsContact O-N 3.09Å; G730-R734 PolarHBondContact O-NE 3.33Å | ||
| 731 | E | 88.2 | Confident | 89.8 | Confident | 115 Ų | 115 | 71 Ų | 71 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58 | -41 | 174 | -176.8 | 164 | -151.4 | 0 | 0 | 112.2 | R734 D735 K749 | E731-R734 PolarHBondContact O-N 3.47Å; E731-D735 WeakPolarHBondContact O-CB 3.24Å; E731-D735 VanDerWaalsContact O-CG 3.31Å; E731-D735 PolarHBondContact O-N 3.07Å; E731-K749 IonicContact OE1-NZ 3.35Å; E731-K749 PolarHBondContact OE1-NZ 2.95Å |
| 732 | F | 89.9 | Confident | 89.3 | Confident | 159 Ų | 159 | 72.5 Ų | 72.5 | 70% | 0.697 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 176.8 | -177.1 | -92.7 | 0 | 0 | 0 | 112.9 | G730 R734 D735 E736 | G730-F732 VanDerWaalsContact C-N 3.27Å; G730-F732 PolarHBondContact O-N 2.97Å; F732-R734 VanDerWaalsContact C-N 3.33Å; F732-R734 PolarHBondContact O-N 2.89Å; F732-D735 PolarHBondContact O-N 3Å; F732-E736 WeakPolarHBondContact O-CB 3.28Å; F732-E736 PolarHBondContact O-N 3.49Å |
| 733 | E | 91.7 | Very high | 89 | Confident | 115 Ų | 115 | 71.6 Ų | 71.6 | 54% | 0.537 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.6 | -66.4 | 171.3 | 167.9 | 0 | 0 | 111.9 | A729 G730 F737 | A729-E733 VanDerWaalsContact CA-OE2 3.23Å; A729-E733 WeakPolarHBondContact CA-OE2 3.2Å; A729-E733 HydrophobicContact CB-CB 4.04Å; A729-E733 VanDerWaalsContact CB-OE2 3.32Å; A729-E733 WeakPolarHBondContact CB-OE2 3.33Å; G730-E733 PolarHBondContact N-OE2 2.9Å; G730-E733 PolarHBondContact O-N 3.44Å; E733-F737 PolarHBondContact O-N 3.39Å |
| 734 | R | 91.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67 | -45.5 | 175.1 | -69.7 | -177.9 | -69.1 | -173.2 | -0.2 | 111.1 | V724 S725 A729 G730 E731 F732 E736 F737 F738 | V724-R734 HydrophobicContact CG1-CB 4.01Å; V724-R734 HydrophobicContact CG1-CG 3.86Å; V724-R734 WeakPolarHBondContact O-CD 3.35Å; S725-R734 PolarHBondContact O-NH1 3.13Å; A729-R734 HydrophobicContact CB-CG 3.93Å; A729-R734 PolarHBondContact O-NE 2.79Å; G730-R734 WeakPolarHBondContact O-CG 3.44Å; G730-R734 PolarHBondContact O-N 2.96Å; G730-R734 VanDerWaalsContact O-N 3.09Å; G730-R734 PolarHBondContact O-NE 3.33Å; E731-R734 PolarHBondContact O-N 3.47Å; F732-R734 VanDerWaalsContact C-N 3.33Å; F732-R734 PolarHBondContact O-N 2.89Å; R734-E736 VanDerWaalsContact C-N 3.31Å; R734-E736 PolarHBondContact O-N 3.07Å; R734-F737 WeakPolarHBondContact O-CB 3.31Å; R734-F737 PolarHBondContact O-N 3.12Å; R734-F738 WeakPolarHBondContact O-CD2 3.49Å; R734-F738 PolarHBondContact O-N 3.02Å |
| 735 | D | 88.5 | Confident | 88.4 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 177.6 | -72.7 | -8.9 | 0 | 0 | 0 | 111.3 | E731 F732 F738 A739 S745 K749 | E731-D735 WeakPolarHBondContact O-CB 3.24Å; E731-D735 VanDerWaalsContact O-CG 3.31Å; E731-D735 PolarHBondContact O-N 3.07Å; F732-D735 PolarHBondContact O-N 3Å; D735-F738 PolarHBondContact O-N 2.99Å; D735-A739 WeakPolarHBondContact O-CB 3.29Å; D735-A739 PolarHBondContact O-N 2.92Å; D735-S745 VanDerWaalsContact OD1-CB 3.23Å; D735-S745 WeakPolarHBondContact OD1-CB 3.45Å; D735-S745 PolarHBondContact OD1-OG 2.8Å; D735-K749 IonicContact OD1-NZ 2.74Å |
| 736 | E | 89.4 | Confident | 88 | Confident | 118 Ų | 118 | 67 Ų | 67 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 173.1 | -174.4 | 175.2 | -163.1 | 0 | 0 | 111.8 | F732 R734 F738 A739 S740 | F732-E736 WeakPolarHBondContact O-CB 3.28Å; F732-E736 PolarHBondContact O-N 3.49Å; R734-E736 VanDerWaalsContact C-N 3.31Å; R734-E736 PolarHBondContact O-N 3.07Å; E736-F738 PolarHBondContact O-N 3.47Å; E736-A739 PolarHBondContact O-N 3.27Å; E736-S740 WeakPolarHBondContact O-CB 3.32Å; E736-S740 PolarHBondContact O-N 3.06Å; E736-S740 PolarHBondContact O-OG 2.72Å |
| 737 | F | 90.7 | Very high | 87.9 | Confident | 86 Ų | 86 | 63 Ų | 63 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.9 | 174.9 | -85.8 | 0 | 0 | 0 | 112.2 | V724 E733 R734 S740 N741 | V724-F737 HydrophobicContact CB-CD1 4.39Å; V724-F737 HydrophobicContact CG1-CD1 3.96Å; V724-F737 HydrophobicContact CG1-CG 4.44Å; V724-F737 HydrophobicContact CG2-CD1 3.56Å; V724-F737 HydrophobicContact CG2-CE1 3.37Å; V724-F737 HydrophobicContact CG2-CG 4.31Å; V724-F737 HydrophobicContact CG2-CZ 3.94Å; E733-F737 PolarHBondContact O-N 3.39Å; R734-F737 WeakPolarHBondContact O-CB 3.31Å; R734-F737 PolarHBondContact O-N 3.12Å; F737-S740 PolarHBondContact O-OG 2.87Å; F737-N741 PolarHBondContact O-N 3.15Å; F737-N741 PolarHBondContact O-ND2 3.09Å |
| 738 | F | 89.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 177.9 | -77.1 | -66.2 | 0 | 0 | 0 | 110.5 | A721 V724 R734 D735 E736 S740 N741 L742 L743 A748 | A721-F738 HydrophobicContact CB-CE1 4.08Å; A721-F738 HydrophobicContact CB-CZ 4.19Å; V724-F738 HydrophobicContact CB-CE2 4.37Å; V724-F738 HydrophobicContact CB-CZ 4.08Å; V724-F738 HydrophobicContact CG1-CD2 4.36Å; V724-F738 HydrophobicContact CG1-CE2 3.71Å; V724-F738 HydrophobicContact CG1-CZ 3.93Å; R734-F738 WeakPolarHBondContact O-CD2 3.49Å; R734-F738 PolarHBondContact O-N 3.02Å; D735-F738 PolarHBondContact O-N 2.99Å; E736-F738 PolarHBondContact O-N 3.47Å; F738-S740 PolarHBondContact O-N 3.34Å; F738-N741 CarbonylContact O-C 3.54Å; F738-N741 PolarHBondContact O-N 2.87Å; F738-N741 VanDerWaalsContact O-N 3.11Å; F738-L742 PolarHBondContact O-N 3.31Å; F738-L743 CarbonylContact C-O 3.14Å; F738-L743 VanDerWaalsContact C-O 3.24Å; F738-L743 HydrophobicContact CB-CB 4.29Å; F738-L743 WeakPolarHBondContact CB-O 3.42Å; F738-L743 HydrophobicContact CD1-CB 3.79Å; F738-L743 HydrophobicContact CD1-CD1 4.17Å; F738-L743 PolarHBondContact O-N 2.9Å; F738-L743 VanDerWaalsContact O-O 3.14Å; F738-A748 HydrophobicContact CD1-CB 4.49Å; F738-A748 HydrophobicContact CE1-CB 3.78Å; F738-A748 HydrophobicContact CZ-CB 3.82Å |
| 739 | A | 85.5 | Confident | 87.9 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D735 E736 N741 L742 | D735-A739 WeakPolarHBondContact O-CB 3.29Å; D735-A739 PolarHBondContact O-N 2.92Å; E736-A739 PolarHBondContact O-N 3.27Å; A739-N741 PolarHBondContact O-N 3.09Å; A739-N741 VanDerWaalsContact O-N 3.16Å; A739-L742 PolarHBondContact O-N 2.99Å; A739-L742 VanDerWaalsContact O-N 3.1Å |
| 740 | S | 86.4 | Confident | 87.9 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.9 | -19.2 | 178.6 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | E736 F737 F738 | E736-S740 WeakPolarHBondContact O-CB 3.32Å; E736-S740 PolarHBondContact O-N 3.06Å; E736-S740 PolarHBondContact O-OG 2.72Å; F737-S740 PolarHBondContact O-OG 2.87Å; F738-S740 PolarHBondContact O-N 3.34Å |
| 741 | N | 86.4 | Confident | 88 | Confident | 59 Ų | 59 | 57 Ų | 57 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 15.6 | 177.9 | -69.9 | -81.7 | 0 | 0 | 0 | 112.8 | L699 F737 F738 A739 L743 | L699-N741 VanDerWaalsContact CD2-O 3.32Å; L699-N741 WeakPolarHBondContact CD2-O 3.11Å; F737-N741 PolarHBondContact O-N 3.15Å; F737-N741 PolarHBondContact O-ND2 3.09Å; F738-N741 CarbonylContact O-C 3.54Å; F738-N741 PolarHBondContact O-N 2.87Å; F738-N741 VanDerWaalsContact O-N 3.11Å; A739-N741 PolarHBondContact O-N 3.09Å; A739-N741 VanDerWaalsContact O-N 3.16Å; N741-L743 HydrophobicContact CB-CD1 4.34Å; N741-L743 HydrophobicContact CB-CG 4.21Å; N741-L743 WeakPolarHBondContact O-CG 3.39Å; N741-L743 PolarHBondContact O-N 2.88Å |
| 742 | L | 82.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 23.9 | -179.6 | -47 | 177.7 | 0 | 0 | 0 | 113.9 | F686 E687 P690 E695 M696 F738 A739 | F686-L742 WeakPolarHBondContact CA-O 3.07Å; E687-L742 PolarHBondContact N-O 3.01Å; P690-L742 HydrophobicContact CB-CD2 4.42Å; P690-L742 HydrophobicContact CG-CD1 4.22Å; P690-L742 HydrophobicContact CG-CD2 4.09Å; E695-L742 HydrophobicContact CB-CD1 3.8Å; M696-L742 HydrophobicContact CB-CD1 4.49Å; F738-L742 PolarHBondContact O-N 3.31Å; A739-L742 PolarHBondContact O-N 2.99Å; A739-L742 VanDerWaalsContact O-N 3.1Å |
| 743 | L | 87.1 | Confident | 88.6 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -104.9 | 145.7 | -178.2 | -59.4 | -177.9 | 0 | 0 | 0 | 111.4 | F685 F686 L717 F738 N741 S745 | F685-L743 HydrophobicContact CB-CD2 4.3Å; F685-L743 CarbonylContact O-C 3.59Å; F685-L743 VanDerWaalsContact O-CA 3.27Å; F685-L743 WeakPolarHBondContact O-CA 3.35Å; F686-L743 HydrophobicContact CD1-CD2 3.93Å; F686-L743 HydrophobicContact CE1-CD2 4.03Å; L717-L743 HydrophobicContact CD2-CD1 4.15Å; L717-L743 HydrophobicContact CD2-CD2 3.79Å; F738-L743 CarbonylContact C-O 3.14Å; F738-L743 VanDerWaalsContact C-O 3.24Å; F738-L743 HydrophobicContact CB-CB 4.29Å; F738-L743 WeakPolarHBondContact CB-O 3.42Å; F738-L743 HydrophobicContact CD1-CB 3.79Å; F738-L743 HydrophobicContact CD1-CD1 4.17Å; F738-L743 PolarHBondContact O-N 2.9Å; F738-L743 VanDerWaalsContact O-O 3.14Å; N741-L743 HydrophobicContact CB-CD1 4.34Å; N741-L743 HydrophobicContact CB-CG 4.21Å; N741-L743 WeakPolarHBondContact O-CG 3.39Å; N741-L743 PolarHBondContact O-N 2.88Å; L743-S745 PolarHBondContact O-N 2.96Å |
| 744 | S | 85 | Confident | 88.8 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -87 | 109.8 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 111 | F685 K746 A747 A748 | F685-S744 PolarHBondContact O-N 2.97Å; S744-K746 PolarHBondContact O-N 2.86Å; S744-A747 PolarHBondContact O-N 2.9Å; S744-A747 PolarHBondContact OG-N 3.29Å; S744-A748 WeakPolarHBondContact O-CB 3.47Å; S744-A748 PolarHBondContact O-N 3.14Å | ||
| 745 | S | 87 | Confident | 89 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -35.8 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | D735 L743 A748 K749 | D735-S745 VanDerWaalsContact OD1-CB 3.23Å; D735-S745 WeakPolarHBondContact OD1-CB 3.45Å; D735-S745 PolarHBondContact OD1-OG 2.8Å; L743-S745 PolarHBondContact O-N 2.96Å; S745-A748 WeakPolarHBondContact O-CB 3.29Å; S745-A748 PolarHBondContact O-N 2.81Å; S745-K749 WeakPolarHBondContact O-CG 3.34Å; S745-K749 PolarHBondContact O-N 2.83Å |
| 746 | K | 81.8 | Confident | 89.4 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.6 | -44.7 | 180 | -62.5 | 175.5 | -164.8 | 161 | 0 | 112.2 | P482 E485 S744 A748 K749 F750 | P482-K746 HydrophobicContact CB-CB 4.19Å; P482-K746 HydrophobicContact CG-CB 3.94Å; E485-K746 HydrophobicContact CG-CD 3.69Å; E485-K746 WeakPolarHBondContact OE1-CD 3.47Å; E485-K746 IonicContact OE1-NZ 2.73Å; E485-K746 PolarHBondContact OE1-NZ 3.37Å; S744-K746 PolarHBondContact O-N 2.86Å; K746-A748 VanDerWaalsContact C-N 3.31Å; K746-K749 PolarHBondContact O-N 2.78Å; K746-F750 PolarHBondContact O-N 2.81Å |
| 747 | A | 85.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E683 D684 S744 F750 I751 | E683-A747 HydrophobicContact CB-CB 4.26Å; D684-A747 WeakPolarHBondContact O-CB 3.43Å; S744-A747 PolarHBondContact O-N 2.9Å; S744-A747 PolarHBondContact OG-N 3.29Å; A747-F750 PolarHBondContact O-N 3.38Å; A747-I751 WeakPolarHBondContact O-CB 3.4Å; A747-I751 WeakPolarHBondContact O-CD1 3.48Å; A747-I751 VanDerWaalsContact O-CG1 3.28Å; A747-I751 WeakPolarHBondContact O-CG1 3.34Å; A747-I751 PolarHBondContact O-N 3.48Å |
| 748 | A | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F685 A721 F738 S744 S745 K746 F750 I751 L752 | F685-A748 HydrophobicContact CE1-CB 4.32Å; A721-A748 HydrophobicContact CB-CB 3.89Å; F738-A748 HydrophobicContact CD1-CB 4.49Å; F738-A748 HydrophobicContact CE1-CB 3.78Å; F738-A748 HydrophobicContact CZ-CB 3.82Å; S744-A748 WeakPolarHBondContact O-CB 3.47Å; S744-A748 PolarHBondContact O-N 3.14Å; S745-A748 WeakPolarHBondContact O-CB 3.29Å; S745-A748 PolarHBondContact O-N 2.81Å; K746-A748 VanDerWaalsContact C-N 3.31Å; A748-F750 VanDerWaalsContact C-N 3.31Å; A748-F750 PolarHBondContact O-N 2.73Å; A748-I751 PolarHBondContact O-N 2.81Å; A748-L752 WeakPolarHBondContact O-CB 3.33Å; A748-L752 VanDerWaalsContact O-CG 3.26Å; A748-L752 WeakPolarHBondContact O-CG 3.38Å; A748-L752 PolarHBondContact O-N 2.85Å |
| 749 | K | 89.9 | Confident | 90.4 | Very high | 86 Ų | 86 | 30.9 Ų | 30.9 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.5 | -43 | 176.3 | -73.5 | 172.7 | -172.8 | 170 | 0 | 111.8 | E731 D735 S745 K746 G753 | E731-K749 IonicContact OE1-NZ 3.35Å; E731-K749 PolarHBondContact OE1-NZ 2.95Å; D735-K749 IonicContact OD1-NZ 2.74Å; S745-K749 WeakPolarHBondContact O-CG 3.34Å; S745-K749 PolarHBondContact O-N 2.83Å; K746-K749 PolarHBondContact O-N 2.78Å; K749-G753 PolarHBondContact O-N 2.98Å |
| 750 | F | 88.4 | Confident | 90.9 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.3 | -46.1 | 179.3 | -176.6 | -105.7 | 0 | 0 | 0 | 112.9 | L302 E683 K746 A747 A748 L752 G753 L754 | L302-F750 HydrophobicContact CD1-CD2 3.84Å; L302-F750 HydrophobicContact CD1-CE2 3.63Å; L302-F750 HydrophobicContact CD1-CZ 4.22Å; E683-F750 HydrophobicContact CG-CD1 3.97Å; E683-F750 HydrophobicContact CG-CE1 4.39Å; K746-F750 PolarHBondContact O-N 2.81Å; A747-F750 PolarHBondContact O-N 3.38Å; A748-F750 VanDerWaalsContact C-N 3.31Å; A748-F750 PolarHBondContact O-N 2.73Å; F750-L752 PolarHBondContact O-N 2.8Å; F750-G753 PolarHBondContact O-N 3.24Å; F750-L754 HydrophobicContact CD1-CD1 4.3Å; F750-L754 HydrophobicContact CE1-CD1 3.81Å; F750-L754 HydrophobicContact CE1-CG 4.33Å; F750-L754 HydrophobicContact CZ-CD1 4.32Å; F750-L754 HydrophobicContact CZ-CG 4.49Å; F750-L754 PolarHBondContact O-N 3.46Å |
| 751 | I | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.2 | -70.7 | 162.5 | 0 | 0 | 0 | 110.8 | V678 E683 F685 A747 A748 G753 L754 K755 | V678-I751 HydrophobicContact CG2-CD1 4.23Å; V678-I751 HydrophobicContact CG2-CG2 3.6Å; E683-I751 HydrophobicContact CB-CD1 4.32Å; F685-I751 HydrophobicContact CD1-CD1 4.03Å; F685-I751 HydrophobicContact CD2-CD1 4.21Å; F685-I751 HydrophobicContact CE1-CD1 3.71Å; F685-I751 HydrophobicContact CE1-CG2 4.48Å; F685-I751 HydrophobicContact CE2-CD1 3.94Å; F685-I751 HydrophobicContact CG-CD1 4.26Å; F685-I751 HydrophobicContact CZ-CB 4.37Å; F685-I751 HydrophobicContact CZ-CD1 3.65Å; F685-I751 HydrophobicContact CZ-CG2 3.87Å; A747-I751 WeakPolarHBondContact O-CB 3.4Å; A747-I751 WeakPolarHBondContact O-CD1 3.48Å; A747-I751 VanDerWaalsContact O-CG1 3.28Å; A747-I751 WeakPolarHBondContact O-CG1 3.34Å; A747-I751 PolarHBondContact O-N 3.48Å; A748-I751 PolarHBondContact O-N 2.81Å; I751-G753 VanDerWaalsContact C-N 3.3Å; I751-G753 PolarHBondContact O-N 2.78Å; I751-L754 WeakPolarHBondContact O-CB 3.14Å; I751-L754 PolarHBondContact O-N 3.02Å; I751-K755 PolarHBondContact O-N 3.32Å |
| 752 | L | 94.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 26.1 Ų | 26.1 | 17% | 0.168 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 176 | -66.9 | 175.3 | 0 | 0 | 0 | 112.1 | A721 A722 S725 A748 F750 K755 Q756 | A721-L752 HydrophobicContact CB-CD1 4.27Å; A722-L752 HydrophobicContact CB-CD2 3.8Å; S725-L752 WeakPolarHBondContact OG-CD1 3.26Å; A748-L752 WeakPolarHBondContact O-CB 3.33Å; A748-L752 VanDerWaalsContact O-CG 3.26Å; A748-L752 WeakPolarHBondContact O-CG 3.38Å; A748-L752 PolarHBondContact O-N 2.85Å; F750-L752 PolarHBondContact O-N 2.8Å; L752-K755 HydrophobicContact CD2-CD 4.39Å; L752-K755 WeakPolarHBondContact O-CB 3.28Å; L752-K755 PolarHBondContact O-N 3.18Å; L752-Q756 PolarHBondContact O-N 3.13Å |
| 753 | G | 94.2 | Very high | 92.2 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 23% | 0.227 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L302 K749 F750 I751 K755 Q756 Q757 | L302-G753 WeakPolarHBondContact CD2-O 3.48Å; K749-G753 PolarHBondContact O-N 2.98Å; F750-G753 PolarHBondContact O-N 3.24Å; I751-G753 VanDerWaalsContact C-N 3.3Å; I751-G753 PolarHBondContact O-N 2.78Å; G753-K755 VanDerWaalsContact C-N 3.33Å; G753-Q756 PolarHBondContact O-N 2.89Å; G753-Q757 WeakPolarHBondContact O-CB 3.38Å; G753-Q757 PolarHBondContact O-N 3.3Å |
| 754 | L | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 173.6 | -72.2 | 175.5 | 0 | 0 | 0 | 111.8 | L302 S677 F750 I751 Q756 Q757 F758 | L302-L754 HydrophobicContact CD1-CB 4.46Å; L302-L754 HydrophobicContact CD1-CD2 3.67Å; L302-L754 HydrophobicContact CD1-CG 3.7Å; L302-L754 HydrophobicContact CG-CD2 4.32Å; S677-L754 WeakPolarHBondContact O-CD1 3.47Å; F750-L754 HydrophobicContact CD1-CD1 4.3Å; F750-L754 HydrophobicContact CE1-CD1 3.81Å; F750-L754 HydrophobicContact CE1-CG 4.33Å; F750-L754 HydrophobicContact CZ-CD1 4.32Å; F750-L754 HydrophobicContact CZ-CG 4.49Å; F750-L754 PolarHBondContact O-N 3.46Å; I751-L754 WeakPolarHBondContact O-CB 3.14Å; I751-L754 PolarHBondContact O-N 3.02Å; L754-Q756 VanDerWaalsContact C-N 3.33Å; L754-Q756 PolarHBondContact O-N 3.1Å; L754-Q757 PolarHBondContact O-N 2.55Å; L754-F758 HydrophobicContact CB-CE2 4.32Å; L754-F758 HydrophobicContact CB-CZ 4.42Å; L754-F758 HydrophobicContact CD2-CZ 4.35Å; L754-F758 WeakPolarHBondContact O-CD2 3.4Å; L754-F758 VanDerWaalsContact O-CG 3.28Å; L754-F758 WeakPolarHBondContact O-CG 3.4Å; L754-F758 PolarHBondContact O-N 3.38Å |
| 755 | K | 96.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.8 | -170.5 | -172.2 | 178.9 | 174.8 | 0 | 111.4 | E670 L673 C674 S677 I751 L752 G753 A759 L775 | E670-K755 IonicContact OE1-NZ 3.99Å; E670-K755 PolarHBondContact OE1-NZ 3.02Å; L673-K755 HydrophobicContact CB-CG 3.98Å; C674-K755 VanDerWaalsContact SG-CE 3.56Å; C674-K755 PolarHBondContact SG-NZ 3.39Å; S677-K755 WeakPolarHBondContact OG-CA 3.13Å; S677-K755 WeakPolarHBondContact OG-CB 2.99Å; S677-K755 PolarHBondContact OG-N 3.47Å; S677-K755 VanDerWaalsContact OG-N 3.09Å; I751-K755 PolarHBondContact O-N 3.32Å; L752-K755 HydrophobicContact CD2-CD 4.39Å; L752-K755 WeakPolarHBondContact O-CB 3.28Å; L752-K755 PolarHBondContact O-N 3.18Å; G753-K755 VanDerWaalsContact C-N 3.33Å; K755-A759 PolarHBondContact O-N 2.73Å; K755-A759 VanDerWaalsContact O-N 3.16Å; K755-L775 HydrophobicContact CD-CD2 4.26Å; K755-L775 HydrophobicContact CG-CD2 4.01Å |
| 756 | Q | 96.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 31.7 Ų | 31.7 | 34% | 0.336 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 174.5 | 179.1 | 64.7 | 29.3 | 0 | 0 | 111.2 | L752 G753 L754 F758 A759 E760 | L752-Q756 PolarHBondContact O-N 3.13Å; G753-Q756 PolarHBondContact O-N 2.89Å; L754-Q756 VanDerWaalsContact C-N 3.33Å; L754-Q756 PolarHBondContact O-N 3.1Å; Q756-F758 VanDerWaalsContact C-N 3.34Å; Q756-F758 PolarHBondContact O-N 2.79Å; Q756-A759 WeakPolarHBondContact O-CB 3.41Å; Q756-A759 PolarHBondContact O-N 2.98Å; Q756-A759 VanDerWaalsContact O-N 3.12Å; Q756-E760 WeakPolarHBondContact CG-OE1 3.43Å; Q756-E760 PolarHBondContact NE2-OE1 3.04Å; Q756-E760 WeakPolarHBondContact O-CG 3.47Å; Q756-E760 PolarHBondContact O-N 2.97Å |
| 757 | Q | 95.7 | Very high | 93.1 | Very high | 27 Ų | 27 | 27.9 Ų | 27.9 | 13% | 0.126 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 179.2 | -177.3 | -169.5 | -13.1 | 0 | 0 | 111.7 | L302 G753 L754 A759 E760 E761 | L302-Q757 HydrophobicContact CD2-CB 3.9Å; L302-Q757 HydrophobicContact CD2-CG 4.44Å; G753-Q757 WeakPolarHBondContact O-CB 3.38Å; G753-Q757 PolarHBondContact O-N 3.3Å; L754-Q757 PolarHBondContact O-N 2.55Å; Q757-A759 VanDerWaalsContact C-N 3.33Å; Q757-A759 PolarHBondContact O-N 2.99Å; Q757-E760 WeakPolarHBondContact O-CB 3.42Å; Q757-E760 PolarHBondContact O-N 2.95Å; Q757-E761 WeakPolarHBondContact CG-OE1 3.31Å; Q757-E761 PolarHBondContact NE2-OE1 2.78Å; Q757-E761 VanDerWaalsContact O-CG 3.23Å; Q757-E761 WeakPolarHBondContact O-CG 3.49Å; Q757-E761 PolarHBondContact O-N 3.1Å |
| 758 | F | 97.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 179.3 | -64.5 | -22.5 | 0 | 0 | 0 | 112.5 | C652 L673 A676 E680 L754 Q756 E761 L762 | C652-F758 HydrophobicContact CB-CE1 3.86Å; C652-F758 HydrophobicContact CB-CE2 4.12Å; C652-F758 HydrophobicContact CB-CZ 3.6Å; L673-F758 HydrophobicContact CD2-CB 3.54Å; A676-F758 HydrophobicContact CB-CD2 4.29Å; A676-F758 HydrophobicContact CB-CE2 4.28Å; E680-F758 HydrophobicContact CB-CE2 4.21Å; E680-F758 HydrophobicContact CB-CZ 3.87Å; E680-F758 HydrophobicContact CG-CZ 3.87Å; L754-F758 HydrophobicContact CB-CE2 4.32Å; L754-F758 HydrophobicContact CB-CZ 4.42Å; L754-F758 HydrophobicContact CD2-CZ 4.35Å; L754-F758 WeakPolarHBondContact O-CD2 3.4Å; L754-F758 VanDerWaalsContact O-CG 3.28Å; L754-F758 WeakPolarHBondContact O-CG 3.4Å; L754-F758 PolarHBondContact O-N 3.38Å; Q756-F758 VanDerWaalsContact C-N 3.34Å; Q756-F758 PolarHBondContact O-N 2.79Å; F758-E761 WeakPolarHBondContact CD1-OE2 3.23Å; F758-E761 PolarHBondContact O-N 3.14Å; F758-L762 WeakPolarHBondContact O-CG 3.43Å; F758-L762 PolarHBondContact O-N 3.07Å |
| 759 | A | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L673 K755 Q756 Q757 L762 V763 V771 A774 L775 | L673-A759 HydrophobicContact CD1-CB 4.03Å; K755-A759 PolarHBondContact O-N 2.73Å; K755-A759 VanDerWaalsContact O-N 3.16Å; Q756-A759 WeakPolarHBondContact O-CB 3.41Å; Q756-A759 PolarHBondContact O-N 2.98Å; Q756-A759 VanDerWaalsContact O-N 3.12Å; Q757-A759 VanDerWaalsContact C-N 3.33Å; Q757-A759 PolarHBondContact O-N 2.99Å; A759-L762 PolarHBondContact O-N 3.47Å; A759-V763 PolarHBondContact O-N 2.8Å; A759-V771 HydrophobicContact CB-CG1 3.82Å; A759-A774 HydrophobicContact CB-CB 4.3Å; A759-L775 HydrophobicContact CB-CD1 4.49Å; A759-L775 HydrophobicContact CB-CD2 3.89Å; A759-L775 HydrophobicContact CB-CG 3.99Å |
| 760 | E | 95.8 | Very high | 93 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 41% | 0.407 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 173.1 | -69.4 | 165 | -176 | 0 | 0 | 112.3 | Q756 Q757 V763 T764 V771 | Q756-E760 WeakPolarHBondContact CG-OE1 3.43Å; Q756-E760 PolarHBondContact NE2-OE1 3.04Å; Q756-E760 WeakPolarHBondContact O-CG 3.47Å; Q756-E760 PolarHBondContact O-N 2.97Å; Q757-E760 WeakPolarHBondContact O-CB 3.42Å; Q757-E760 PolarHBondContact O-N 2.95Å; E760-V763 PolarHBondContact O-N 3.27Å; E760-T764 WeakPolarHBondContact O-CB 3.39Å; E760-T764 PolarHBondContact O-N 3.18Å; E760-T764 PolarHBondContact O-OG1 2.96Å; E760-V771 HydrophobicContact CG-CG2 3.91Å |
| 761 | E | 95.5 | Very high | 93.2 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 176.8 | -69.6 | 169.6 | 176.1 | 0 | 0 | 112.3 | R323 F650 G651 Q757 F758 V763 T764 S765 | R323-E761 IonicContact CZ-OE1 2.77Å; R323-E761 IonicContact NE-OE1 3.74Å; R323-E761 VanDerWaalsContact NH2-CG 3.3Å; R323-E761 IonicContact NH2-OE1 3.15Å; R323-E761 PolarHBondContact NH2-OE1 3.28Å; R323-E761 IonicContact NH2-OE2 3.41Å; F650-E761 WeakPolarHBondContact CA-OE2 3.32Å; F650-E761 HydrophobicContact CD1-CB 4.08Å; G651-E761 PolarHBondContact N-OE2 2.63Å; Q757-E761 WeakPolarHBondContact CG-OE1 3.31Å; Q757-E761 PolarHBondContact NE2-OE1 2.78Å; Q757-E761 VanDerWaalsContact O-CG 3.23Å; Q757-E761 WeakPolarHBondContact O-CG 3.49Å; Q757-E761 PolarHBondContact O-N 3.1Å; F758-E761 WeakPolarHBondContact CD1-OE2 3.23Å; F758-E761 PolarHBondContact O-N 3.14Å; E761-V763 VanDerWaalsContact C-N 3.33Å; E761-T764 PolarHBondContact O-N 2.74Å; E761-S765 WeakPolarHBondContact O-CB 3.19Å; E761-S765 PolarHBondContact O-N 3.44Å; E761-S765 PolarHBondContact O-OG 3.49Å |
| 762 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 170.5 | -67.9 | 173.2 | 0 | 0 | 0 | 110.6 | F650 I664 V669 L673 F758 A759 S765 I767 I768 A774 | F650-L762 HydrophobicContact CD1-CD2 4.35Å; F650-L762 HydrophobicContact CE1-CD2 3.5Å; F650-L762 HydrophobicContact CE1-CG 4.31Å; F650-L762 HydrophobicContact CE2-CD2 4.24Å; F650-L762 HydrophobicContact CZ-CD2 3.42Å; F650-L762 VanDerWaalsContact CZ-CD2 3.42Å; I664-L762 HydrophobicContact CD1-CD2 4.02Å; V669-L762 HydrophobicContact CG1-CD1 3.9Å; L673-L762 HydrophobicContact CD2-CD1 4.11Å; F758-L762 WeakPolarHBondContact O-CG 3.43Å; F758-L762 PolarHBondContact O-N 3.07Å; A759-L762 PolarHBondContact O-N 3.47Å; L762-S765 PolarHBondContact O-OG 3.43Å; L762-I767 HydrophobicContact CB-CG2 4.34Å; L762-I767 HydrophobicContact CD2-CG2 4.16Å; L762-I767 WeakPolarHBondContact O-CG2 3.29Å; L762-I767 PolarHBondContact O-N 3.12Å; L762-I768 HydrophobicContact CB-CD1 3.45Å; L762-I768 VanDerWaalsContact CB-CD1 3.45Å; L762-I768 HydrophobicContact CB-CG1 3.7Å; L762-I768 HydrophobicContact CD1-CD1 4.14Å; L762-I768 HydrophobicContact CG-CD1 4.45Å; L762-A774 HydrophobicContact CD1-CB 4.48Å |
| 763 | V | 93.5 | Very high | 93 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -48.5 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | A759 E760 E761 S765 G766 I768 V771 | A759-V763 PolarHBondContact O-N 2.8Å; E760-V763 PolarHBondContact O-N 3.27Å; E761-V763 VanDerWaalsContact C-N 3.33Å; V763-S765 PolarHBondContact O-N 3.47Å; V763-G766 WeakPolarHBondContact O-CA 3.21Å; V763-G766 PolarHBondContact O-N 3.01Å; V763-I768 HydrophobicContact CB-CG1 4.5Å; V763-I768 HydrophobicContact CG2-CD1 3.88Å; V763-I768 HydrophobicContact CG2-CG1 3.8Å; V763-V771 HydrophobicContact CG2-CB 4.49Å; V763-V771 HydrophobicContact CG2-CG2 3.75Å |
| 764 | T | 90.8 | Very high | 92.9 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 65% | 0.65 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.2 | -34.6 | -178.8 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | E760 E761 G766 | E760-T764 WeakPolarHBondContact O-CB 3.39Å; E760-T764 PolarHBondContact O-N 3.18Å; E760-T764 PolarHBondContact O-OG1 2.96Å; E761-T764 PolarHBondContact O-N 2.74Å; T764-G766 PolarHBondContact O-N 2.95Å |
| 765 | S | 91.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.2 | 174.4 | 78.5 | 0 | 0 | 0 | 0 | 113.8 | E761 L762 V763 I767 | E761-S765 WeakPolarHBondContact O-CB 3.19Å; E761-S765 PolarHBondContact O-N 3.44Å; E761-S765 PolarHBondContact O-OG 3.49Å; L762-S765 PolarHBondContact O-OG 3.43Å; V763-S765 PolarHBondContact O-N 3.47Å; S765-I767 VanDerWaalsContact C-N 3.3Å; S765-I767 PolarHBondContact O-N 3.25Å; S765-I767 VanDerWaalsContact OG-CG2 3.3Å; S765-I767 WeakPolarHBondContact OG-CG2 3.21Å |
| 766 | G | 87.9 | Confident | 92.5 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 12.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V763 T764 | V763-G766 WeakPolarHBondContact O-CA 3.21Å; V763-G766 PolarHBondContact O-N 3.01Å; T764-G766 PolarHBondContact O-N 2.95Å |
| 767 | I | 89.7 | Confident | 91.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -82 | -27.9 | 178.9 | -163.6 | 63 | 0 | 0 | 0 | 112.5 | Y646 I664 L762 S765 L938 L942 | Y646-I767 HydrophobicContact CD1-CB 4.01Å; Y646-I767 HydrophobicContact CD1-CD1 4.41Å; Y646-I767 HydrophobicContact CD1-CG1 4.49Å; Y646-I767 HydrophobicContact CE1-CB 3.92Å; Y646-I767 HydrophobicContact CE1-CD1 3.84Å; Y646-I767 HydrophobicContact CE1-CG1 4.31Å; Y646-I767 HydrophobicContact CE2-CD1 4.21Å; I664-I767 HydrophobicContact CD1-CG1 3.97Å; I664-I767 HydrophobicContact CD1-CG2 3.73Å; L762-I767 HydrophobicContact CB-CG2 4.34Å; L762-I767 HydrophobicContact CD2-CG2 4.16Å; L762-I767 WeakPolarHBondContact O-CG2 3.29Å; L762-I767 PolarHBondContact O-N 3.12Å; S765-I767 VanDerWaalsContact C-N 3.3Å; S765-I767 PolarHBondContact O-N 3.25Å; S765-I767 VanDerWaalsContact OG-CG2 3.3Å; S765-I767 WeakPolarHBondContact OG-CG2 3.21Å; I767-L938 HydrophobicContact CD1-CD2 3.84Å; I767-L938 HydrophobicContact CG1-CD2 4.41Å; I767-L942 HydrophobicContact CD1-CD1 4.02Å; I767-L942 HydrophobicContact CD1-CG 3.89Å; I767-L942 HydrophobicContact CG1-CD1 3.98Å; I767-L942 HydrophobicContact CG1-CG 4.41Å |
| 768 | I | 89.2 | Confident | 91.3 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -128 | 159.8 | 172.6 | 63.6 | 170.5 | 0 | 0 | 0 | 110.4 | I664 L762 V763 A774 L781 | I664-I768 HydrophobicContact CD1-CG2 4.23Å; I664-I768 HydrophobicContact CG1-CG2 4.49Å; I664-I768 HydrophobicContact CG2-CG2 4.4Å; L762-I768 HydrophobicContact CB-CD1 3.45Å; L762-I768 VanDerWaalsContact CB-CD1 3.45Å; L762-I768 HydrophobicContact CB-CG1 3.7Å; L762-I768 HydrophobicContact CD1-CD1 4.14Å; L762-I768 HydrophobicContact CG-CD1 4.45Å; V763-I768 HydrophobicContact CB-CG1 4.5Å; V763-I768 HydrophobicContact CG2-CD1 3.88Å; V763-I768 HydrophobicContact CG2-CG1 3.8Å; I768-A774 HydrophobicContact CD1-CB 3.64Å; I768-L781 HydrophobicContact CB-CD1 4.31Å; I768-L781 HydrophobicContact CG2-CD1 3.72Å |
| 769 | D | 85.4 | Confident | 90.7 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 59% | 0.588 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -86.4 | -34.4 | -171.6 | -64.1 | -47.9 | 0 | 0 | 0 | 114.4 | K946 | D769-K946 IonicContact OD1-NZ 2.93Å; D769-K946 PolarHBondContact OD1-NZ 2.87Å; D769-K946 WeakPolarHBondContact OD2-CE 2.99Å; D769-K946 IonicContact OD2-NZ 2.95Å; D769-K946 PolarHBondContact OD2-NZ 3.39Å |
| 770 | N | 89.2 | Confident | 90.2 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | trans | -153.7 | 155.5 | -176.9 | 61.9 | 75 | 0 | 0 | 0 | 111.9 | D772 S773 | N770-D772 PolarHBondContact O-N 2.82Å; N770-D772 PolarHBondContact OD1-N 3.39Å; N770-S773 PolarHBondContact O-N 2.94Å; N770-S773 PolarHBondContact O-OG 3.36Å; N770-S773 VanDerWaalsContact OD1-CB 3.29Å; N770-S773 WeakPolarHBondContact OD1-CB 3.29Å; N770-S773 PolarHBondContact OD1-N 2.88Å | ||
| 771 | V | 93.6 | Very high | 90 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | -175.5 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | A759 E760 V763 S773 A774 L775 | A759-V771 HydrophobicContact CB-CG1 3.82Å; E760-V771 HydrophobicContact CG-CG2 3.91Å; V763-V771 HydrophobicContact CG2-CB 4.49Å; V763-V771 HydrophobicContact CG2-CG2 3.75Å; V771-S773 VanDerWaalsContact C-N 3.26Å; V771-S773 PolarHBondContact O-N 3.45Å; V771-A774 PolarHBondContact O-N 3.17Å; V771-L775 HydrophobicContact CG1-CD1 3.53Å; V771-L775 HydrophobicContact CG1-CG 4.08Å; V771-L775 PolarHBondContact O-N 3.46Å; V771-L775 VanDerWaalsContact O-N 3.09Å |
| 772 | D | 93 | Very high | 89.9 | Confident | 120 Ų | 120 | 52.9 Ų | 52.9 | 64% | 0.642 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.6 | -34.7 | -178 | -69.1 | -30.1 | 0 | 0 | 0 | 112.7 | N770 A774 L775 S776 | N770-D772 PolarHBondContact O-N 2.82Å; N770-D772 PolarHBondContact OD1-N 3.39Å; D772-A774 PolarHBondContact O-N 3.44Å; D772-L775 PolarHBondContact O-N 2.86Å; D772-S776 WeakPolarHBondContact O-CB 3.25Å; D772-S776 PolarHBondContact O-N 3.22Å |
| 773 | S | 89.3 | Confident | 89.9 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -30.4 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 113 | N770 V771 N782 | N770-S773 PolarHBondContact O-N 2.94Å; N770-S773 PolarHBondContact O-OG 3.36Å; N770-S773 VanDerWaalsContact OD1-CB 3.29Å; N770-S773 WeakPolarHBondContact OD1-CB 3.29Å; N770-S773 PolarHBondContact OD1-N 2.88Å; V771-S773 VanDerWaalsContact C-N 3.26Å; V771-S773 PolarHBondContact O-N 3.45Å; S773-N782 PolarHBondContact O-ND2 3.14Å |
| 774 | A | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -85.1 | -39.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V669 E670 L673 A759 L762 I768 V771 D772 N782 | V669-A774 HydrophobicContact CG1-CB 3.82Å; E670-A774 WeakPolarHBondContact CB-O 3.37Å; L673-A774 HydrophobicContact CD1-CB 3.96Å; A759-A774 HydrophobicContact CB-CB 4.3Å; L762-A774 HydrophobicContact CD1-CB 4.48Å; I768-A774 HydrophobicContact CD1-CB 3.64Å; V771-A774 PolarHBondContact O-N 3.17Å; D772-A774 PolarHBondContact O-N 3.44Å; A774-N782 PolarHBondContact O-ND2 2.87Å |
| 775 | L | 93 | Very high | 90.1 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -79.1 | -29 | -178.7 | -64.9 | 177.9 | 0 | 0 | 0 | 113.4 | E670 L673 K755 A759 V771 D772 N777 | E670-L775 WeakPolarHBondContact CG-O 3.47Å; L673-L775 HydrophobicContact CD1-CD2 4.13Å; K755-L775 HydrophobicContact CD-CD2 4.26Å; K755-L775 HydrophobicContact CG-CD2 4.01Å; A759-L775 HydrophobicContact CB-CD1 4.49Å; A759-L775 HydrophobicContact CB-CD2 3.89Å; A759-L775 HydrophobicContact CB-CG 3.99Å; V771-L775 HydrophobicContact CG1-CD1 3.53Å; V771-L775 HydrophobicContact CG1-CG 4.08Å; V771-L775 PolarHBondContact O-N 3.46Å; V771-L775 VanDerWaalsContact O-N 3.09Å; D772-L775 PolarHBondContact O-N 2.86Å; L775-N777 PolarHBondContact O-N 3.35Å |
| 776 | S | 89.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | trans | -75.7 | 117.4 | -179.7 | 179 | 0 | 0 | 0 | 0 | 111.5 | D772 R778 G779 N782 | D772-S776 WeakPolarHBondContact O-CB 3.25Å; D772-S776 PolarHBondContact O-N 3.22Å; S776-R778 PolarHBondContact O-N 2.97Å; S776-R778 VanDerWaalsContact O-N 3.1Å; S776-R778 PolarHBondContact OG-N 2.98Å; S776-G779 PolarHBondContact O-N 3.39Å; S776-N782 PolarHBondContact O-ND2 2.83Å | ||
| 777 | N | 84.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.4 | 174.8 | -164.5 | 24 | 0 | 0 | 0 | 113.8 | E670 L775 S785 | E670-N777 HydrophobicContact CG-CB 4.46Å; L775-N777 PolarHBondContact O-N 3.35Å; N777-S785 WeakPolarHBondContact OD1-CB 3.47Å; N777-S785 PolarHBondContact OD1-OG 2.64Å |
| 778 | R | 83.3 | Confident | 90.5 | Very high | 242 Ų | 242 | 59.9 Ų | 59.9 | 91% | 0.913 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 4.4 | -178.9 | -60.1 | -172.5 | -173.5 | -137.7 | 2.5 | 113.7 | S776 | S776-R778 PolarHBondContact O-N 2.97Å; S776-R778 VanDerWaalsContact O-N 3.1Å; S776-R778 PolarHBondContact OG-N 2.98Å |
| 779 | G | 85.2 | Confident | 90.7 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -84 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S776 L781 N782 S783 | S776-G779 PolarHBondContact O-N 3.39Å; G779-L781 PolarHBondContact O-N 3.2Å; G779-N782 CarbonylContact O-C 3.5Å; G779-N782 WeakPolarHBondContact O-CA 3.47Å; G779-N782 PolarHBondContact O-N 3.07Å; G779-S783 PolarHBondContact O-N 3.34Å |
| 780 | P | 86.5 | Confident | 91.3 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 66% | 0.662 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -61.5 | -28 | 177.6 | 25.2 | -34.4 | 0 | 0 | 0 | 113.3 | R667 N782 | R667-P780 WeakPolarHBondContact CD-O 3.45Å; P780-N782 PolarHBondContact O-N 2.84Å |
| 781 | L | 91.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -74.4 | -2.2 | 173.3 | -63.7 | -175.9 | 0 | 0 | 0 | 113.8 | I664 R667 C668 V669 I768 G779 | I664-L781 HydrophobicContact CG2-CD2 4.13Å; R667-L781 CarbonylContact C-O 3.58Å; R667-L781 WeakPolarHBondContact CA-O 3.3Å; C668-L781 PolarHBondContact N-O 3.06Å; C668-L781 VanDerWaalsContact N-O 3.16Å; V669-L781 HydrophobicContact CG2-CB 4.07Å; V669-L781 PolarHBondContact N-O 3.28Å; I768-L781 HydrophobicContact CB-CD1 4.31Å; I768-L781 HydrophobicContact CG2-CD1 3.72Å; G779-L781 PolarHBondContact O-N 3.2Å |
| 782 | N | 94.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -131.5 | 18.5 | -175.7 | -75.6 | -54.1 | 0 | 0 | 0 | 112.5 | R667 V669 E670 S773 A774 S776 G779 P780 F784 S785 | R667-N782 CarbonylContact O-C 3.33Å; R667-N782 WeakPolarHBondContact O-CA 3.43Å; V669-N782 PolarHBondContact N-OD1 3.43Å; E670-N782 WeakPolarHBondContact CB-OD1 3.43Å; E670-N782 PolarHBondContact N-OD1 2.87Å; S773-N782 PolarHBondContact O-ND2 3.14Å; A774-N782 PolarHBondContact O-ND2 2.87Å; S776-N782 PolarHBondContact O-ND2 2.83Å; G779-N782 CarbonylContact O-C 3.5Å; G779-N782 WeakPolarHBondContact O-CA 3.47Å; G779-N782 PolarHBondContact O-N 3.07Å; P780-N782 PolarHBondContact O-N 2.84Å; N782-F784 PolarHBondContact O-N 3.29Å; N782-F784 VanDerWaalsContact O-N 3.17Å; N782-S785 VanDerWaalsContact O-CB 3.25Å; N782-S785 WeakPolarHBondContact O-CB 3.22Å; N782-S785 PolarHBondContact O-N 3.05Å; N782-S785 VanDerWaalsContact O-N 3.1Å; N782-S785 PolarHBondContact O-OG 3.08Å |
| 783 | S | 94.2 | Very high | 91.9 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21 | -178.9 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | R667 G779 | R667-S783 WeakPolarHBondContact CD-OG 3.32Å; R667-S783 PolarHBondContact O-N 2.85Å; G779-S783 PolarHBondContact O-N 3.34Å |
| 784 | F | 95.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 15.1 | 176.1 | -74.4 | -94.8 | 0 | 0 | 0 | 112.8 | F666 R667 N782 N786 H787 V790 L961 E962 | F666-F784 WeakPolarHBondContact O-CB 3.4Å; R667-F784 HydrophobicContact CB-CD2 4.36Å; R667-F784 PolarHBondContact O-N 2.8Å; N782-F784 PolarHBondContact O-N 3.29Å; N782-F784 VanDerWaalsContact O-N 3.17Å; F784-N786 PolarHBondContact O-N 2.85Å; F784-N786 VanDerWaalsContact O-N 3.13Å; F784-H787 HydrophobicContact CD1-CB 4.45Å; F784-H787 AromaticContact CD1-CD2 3.64Å; F784-H787 AromaticContact CD1-CG 3.87Å; F784-H787 AromaticContact CD1-NE2 3.85Å; F784-H787 WeakPolarHBondContact O-CB 3.32Å; F784-H787 PolarHBondContact O-N 3Å; F784-V790 HydrophobicContact CB-CG1 4.41Å; F784-L961 HydrophobicContact CD1-CB 4.26Å; F784-L961 HydrophobicContact CD2-CB 3.85Å; F784-L961 HydrophobicContact CD2-CD1 3.62Å; F784-L961 HydrophobicContact CD2-CG 4.33Å; F784-L961 HydrophobicContact CE1-CB 3.79Å; F784-L961 HydrophobicContact CE2-CB 3.35Å; F784-L961 HydrophobicContact CE2-CD1 3.61Å; F784-L961 HydrophobicContact CE2-CG 4.13Å; F784-L961 HydrophobicContact CG-CB 4.3Å; F784-L961 HydrophobicContact CZ-CB 3.32Å; F784-L961 HydrophobicContact CZ-CD1 4.46Å; F784-E962 HydrophobicContact CZ-CG 4.24Å |
| 785 | S | 94 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.3 | -178 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | N777 N782 | N777-S785 WeakPolarHBondContact OD1-CB 3.47Å; N777-S785 PolarHBondContact OD1-OG 2.64Å; N782-S785 VanDerWaalsContact O-CB 3.25Å; N782-S785 WeakPolarHBondContact O-CB 3.22Å; N782-S785 PolarHBondContact O-N 3.05Å; N782-S785 VanDerWaalsContact O-N 3.1Å; N782-S785 PolarHBondContact O-OG 3.08Å |
| 786 | N | 91.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 43.1 Ų | 43.1 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4.2 | 177.5 | -65.2 | -33.7 | 0 | 0 | 0 | 113.1 | F784 T788 | F784-N786 PolarHBondContact O-N 2.85Å; F784-N786 VanDerWaalsContact O-N 3.13Å; N786-T788 PolarHBondContact O-N 2.94Å |
| 787 | H | 93.5 | Very high | 93 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 37% | 0.366 | 22% | 0.215 | S | C | . | . | trans | -88.6 | 88.4 | 176.2 | -67.9 | -107.3 | 0 | 0 | 0 | 109.5 | F784 D789 V790 V791 | F784-H787 HydrophobicContact CD1-CB 4.45Å; F784-H787 AromaticContact CD1-CD2 3.64Å; F784-H787 AromaticContact CD1-CG 3.87Å; F784-H787 AromaticContact CD1-NE2 3.85Å; F784-H787 WeakPolarHBondContact O-CB 3.32Å; F784-H787 PolarHBondContact O-N 3Å; H787-D789 PolarHBondContact O-N 3.43Å; H787-D789 VanDerWaalsContact O-N 3.14Å; H787-V790 HydrophobicContact CB-CB 3.91Å; H787-V790 HydrophobicContact CB-CG2 3.75Å; H787-V790 WeakPolarHBondContact O-CA 3.06Å; H787-V790 WeakPolarHBondContact O-CB 3.44Å; H787-V790 PolarHBondContact O-N 3.17Å; H787-V791 PolarHBondContact O-N 3.41Å | ||
| 788 | T | 92.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -52.6 | -39.8 | -173.5 | -48.2 | 0 | 0 | 0 | 0 | 113.2 | T712 N786 V791 K792 | T712-T788 WeakPolarHBondContact OG1-CG2 3.32Å; N786-T788 PolarHBondContact O-N 2.94Å; T788-V791 WeakPolarHBondContact O-CB 3.24Å; T788-V791 PolarHBondContact O-N 3.26Å; T788-K792 WeakPolarHBondContact O-CG 3.25Å; T788-K792 PolarHBondContact O-N 2.85Å |
| 789 | D | 94.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.6 | -26.6 | -179.5 | -59.5 | -52.3 | 0 | 0 | 0 | 113 | H787 K792 A793 V968 | H787-D789 PolarHBondContact O-N 3.43Å; H787-D789 VanDerWaalsContact O-N 3.14Å; D789-K792 PolarHBondContact O-N 2.73Å; D789-K792 IonicContact OD1-NZ 3.2Å; D789-K792 PolarHBondContact OD1-NZ 2.79Å; D789-A793 WeakPolarHBondContact O-CB 3.46Å; D789-A793 PolarHBondContact O-N 2.93Å; D789-V968 HydrophobicContact CB-CB 4.31Å; D789-V968 HydrophobicContact CB-CG2 3.61Å |
| 790 | V | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.7 | -39.7 | 170 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | F666 F784 H787 K792 A793 A794 V968 | F666-V790 HydrophobicContact CB-CG1 3.85Å; F666-V790 HydrophobicContact CD2-CG1 4.08Å; F666-V790 HydrophobicContact CG-CG1 4.23Å; F784-V790 HydrophobicContact CB-CG1 4.41Å; H787-V790 HydrophobicContact CB-CB 3.91Å; H787-V790 HydrophobicContact CB-CG2 3.75Å; H787-V790 WeakPolarHBondContact O-CA 3.06Å; H787-V790 WeakPolarHBondContact O-CB 3.44Å; H787-V790 PolarHBondContact O-N 3.17Å; V790-K792 VanDerWaalsContact C-N 3.35Å; V790-A793 WeakPolarHBondContact O-CB 3.27Å; V790-A793 PolarHBondContact O-N 3.28Å; V790-A794 PolarHBondContact O-N 2.83Å; V790-V968 HydrophobicContact CG2-CG2 4.23Å |
| 791 | V | 96.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | C668 P671 M672 I675 H787 T788 A793 A794 L795 | C668-V791 HydrophobicContact CB-CG2 3.99Å; P671-V791 HydrophobicContact CB-CG1 4.15Å; P671-V791 HydrophobicContact CB-CG2 4.11Å; P671-V791 HydrophobicContact CG-CG1 4.41Å; P671-V791 HydrophobicContact CG-CG2 3.72Å; M672-V791 HydrophobicContact CE-CG1 4.19Å; M672-V791 WeakPolarHBondContact CE-O 3.28Å; I675-V791 HydrophobicContact CD1-CG1 3.65Å; H787-V791 PolarHBondContact O-N 3.41Å; T788-V791 WeakPolarHBondContact O-CB 3.24Å; T788-V791 PolarHBondContact O-N 3.26Å; V791-A793 VanDerWaalsContact C-N 3.3Å; V791-A793 PolarHBondContact O-N 3.35Å; V791-A794 PolarHBondContact O-N 3.11Å; V791-L795 PolarHBondContact O-N 2.8Å |
| 792 | K | 95.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 174.6 | -68.6 | 172.8 | -171.1 | 172 | 0 | 112.2 | S709 T788 D789 V790 L795 A796 M874 I875 | S709-K792 WeakPolarHBondContact OG-CE 3.47Å; T788-K792 WeakPolarHBondContact O-CG 3.25Å; T788-K792 PolarHBondContact O-N 2.85Å; D789-K792 PolarHBondContact O-N 2.73Å; D789-K792 IonicContact OD1-NZ 3.2Å; D789-K792 PolarHBondContact OD1-NZ 2.79Å; V790-K792 VanDerWaalsContact C-N 3.35Å; K792-L795 PolarHBondContact O-N 3.41Å; K792-A796 VanDerWaalsContact O-CB 3.31Å; K792-A796 WeakPolarHBondContact O-CB 3.5Å; K792-A796 PolarHBondContact O-N 2.51Å; K792-M874 WeakPolarHBondContact CE-O 3.3Å; K792-M874 PolarHBondContact NZ-O 2.92Å; K792-I875 HydrophobicContact CB-CG2 4.03Å; K792-I875 HydrophobicContact CD-CG2 3.89Å; K792-I875 HydrophobicContact CG-CG2 4.38Å |
| 793 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F666 D789 V790 V791 L795 A796 S797 V879 F883 V968 | F666-A793 HydrophobicContact CE2-CB 4.07Å; D789-A793 WeakPolarHBondContact O-CB 3.46Å; D789-A793 PolarHBondContact O-N 2.93Å; V790-A793 WeakPolarHBondContact O-CB 3.27Å; V790-A793 PolarHBondContact O-N 3.28Å; V791-A793 VanDerWaalsContact C-N 3.3Å; V791-A793 PolarHBondContact O-N 3.35Å; A793-L795 VanDerWaalsContact C-N 3.29Å; A793-L795 PolarHBondContact O-N 3.3Å; A793-A796 PolarHBondContact O-N 3.36Å; A793-S797 PolarHBondContact O-N 2.81Å; A793-S797 VanDerWaalsContact O-N 3.11Å; A793-S797 PolarHBondContact O-OG 3.13Å; A793-V879 HydrophobicContact CB-CG1 4.45Å; A793-F883 HydrophobicContact CB-CD2 3.54Å; A793-F883 HydrophobicContact CB-CE2 3.49Å; A793-F883 VanDerWaalsContact CB-CE2 3.49Å; A793-F883 HydrophobicContact CB-CG 4.33Å; A793-F883 HydrophobicContact CB-CZ 4.24Å; A793-V968 HydrophobicContact CB-CG1 4.28Å |
| 794 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F666 M672 V790 V791 S797 | F666-A794 HydrophobicContact CD2-CB 3.83Å; F666-A794 HydrophobicContact CE2-CB 4.39Å; M672-A794 HydrophobicContact CE-CB 3.73Å; V790-A794 PolarHBondContact O-N 2.83Å; V791-A794 PolarHBondContact O-N 3.11Å; A794-S797 WeakPolarHBondContact O-CB 3.48Å; A794-S797 PolarHBondContact O-N 2.76Å |
| 795 | L | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.1 | -171.9 | 60.2 | 0 | 0 | 0 | 112.6 | A659 M672 I675 H711 V791 K792 A793 S797 G798 L799 | A659-L795 HydrophobicContact CB-CD1 4.2Å; M672-L795 HydrophobicContact CE-CB 3.93Å; M672-L795 HydrophobicContact SD-CD1 4.04Å; I675-L795 HydrophobicContact CG2-CD1 4.2Å; I675-L795 HydrophobicContact CG2-CD2 4.25Å; H711-L795 HydrophobicContact CB-CD2 4.41Å; H711-L795 WeakPolarHBondContact CD2-CD2 3.32Å; H711-L795 VanDerWaalsContact CE1-CD2 3.45Å; H711-L795 WeakPolarHBondContact CE1-CD2 3.28Å; H711-L795 VanDerWaalsContact CG-CD2 3.48Å; H711-L795 WeakPolarHBondContact NE2-CD2 3.25Å; V791-L795 PolarHBondContact O-N 2.8Å; K792-L795 PolarHBondContact O-N 3.41Å; A793-L795 VanDerWaalsContact C-N 3.29Å; A793-L795 PolarHBondContact O-N 3.3Å; L795-S797 PolarHBondContact O-N 2.84Å; L795-G798 PolarHBondContact O-N 2.84Å; L795-L799 HydrophobicContact CD1-CD1 4.24Å; L795-L799 HydrophobicContact CD1-CG 4.13Å; L795-L799 HydrophobicContact CD2-CD1 4.09Å; L795-L799 HydrophobicContact CG-CD1 3.7Å; L795-L799 HydrophobicContact CG-CG 4Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.37Å |
| 796 | A | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.7 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K792 A793 G798 L799 F800 L854 V879 F883 | K792-A796 VanDerWaalsContact O-CB 3.31Å; K792-A796 WeakPolarHBondContact O-CB 3.5Å; K792-A796 PolarHBondContact O-N 2.51Å; A793-A796 PolarHBondContact O-N 3.36Å; A796-G798 PolarHBondContact O-N 2.74Å; A796-L799 PolarHBondContact O-N 3.35Å; A796-F800 PolarHBondContact O-N 3.36Å; A796-L854 HydrophobicContact CB-CD1 3.82Å; A796-L854 HydrophobicContact CB-CD2 3.93Å; A796-V879 HydrophobicContact CB-CG1 3.7Å; A796-F883 HydrophobicContact CB-CB 3.83Å |
| 797 | S | 96.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 8% | 0.077 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -32.1 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | Y662 A793 A794 L795 F883 | Y662-S797 WeakPolarHBondContact CD1-OG 3.46Å; Y662-S797 VanDerWaalsContact CG-CB 3.42Å; A793-S797 PolarHBondContact O-N 2.81Å; A793-S797 VanDerWaalsContact O-N 3.11Å; A793-S797 PolarHBondContact O-OG 3.13Å; A794-S797 WeakPolarHBondContact O-CB 3.48Å; A794-S797 PolarHBondContact O-N 2.76Å; L795-S797 PolarHBondContact O-N 2.84Å; S797-F883 WeakPolarHBondContact CA-O 3.24Å; S797-F883 VanDerWaalsContact OG-CD1 3.23Å; S797-F883 WeakPolarHBondContact OG-CD1 3.44Å |
| 798 | G | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -88.8 | -33.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F655 L795 A796 F800 | F655-G798 VanDerWaalsContact CA-O 3.3Å; F655-G798 WeakPolarHBondContact CA-O 3.36Å; F655-G798 WeakPolarHBondContact CB-O 3.13Å; F655-G798 WeakPolarHBondContact CD1-O 3.36Å; F655-G798 WeakPolarHBondContact CG-O 3.2Å; F655-G798 CarbonylContact O-C 3.55Å; F655-G798 WeakPolarHBondContact O-CA 3.48Å; L795-G798 PolarHBondContact O-N 2.84Å; A796-G798 PolarHBondContact O-N 2.74Å; G798-F800 PolarHBondContact O-N 2.96Å |
| 799 | L | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.2 | -5.5 | -179 | -72.5 | -176.6 | 0 | 0 | 0 | 114.5 | L795 A796 E801 N802 L854 Y856 | L795-L799 HydrophobicContact CD1-CD1 4.24Å; L795-L799 HydrophobicContact CD1-CG 4.13Å; L795-L799 HydrophobicContact CD2-CD1 4.09Å; L795-L799 HydrophobicContact CG-CD1 3.7Å; L795-L799 HydrophobicContact CG-CG 4Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.37Å; A796-L799 PolarHBondContact O-N 3.35Å; L799-E801 PolarHBondContact O-N 3.49Å; L799-N802 HydrophobicContact CB-CB 4.22Å; L799-N802 VanDerWaalsContact O-CB 3.31Å; L799-N802 WeakPolarHBondContact O-CB 3.49Å; L799-N802 PolarHBondContact O-N 3.07Å; L799-L854 HydrophobicContact CD1-CB 4Å; L799-L854 HydrophobicContact CD1-CD1 4.37Å; L799-Y856 HydrophobicContact CD2-CD2 3.9Å |
| 800 | F | 91.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 15% | 0.145 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -108.4 | 172.1 | -165.9 | -120 | 0 | 0 | 0 | 112.7 | L627 G630 L631 F655 A796 G798 S884 G885 | L627-F800 HydrophobicContact CD1-CD1 4.45Å; G630-F800 VanDerWaalsContact C-CE2 3.49Å; G630-F800 WeakPolarHBondContact O-CE2 3.16Å; L631-F800 HydrophobicContact CD2-CB 3.78Å; L631-F800 HydrophobicContact CD2-CD2 4.16Å; L631-F800 HydrophobicContact CD2-CG 4.12Å; F655-F800 HydrophobicContact CE1-CB 4.15Å; A796-F800 PolarHBondContact O-N 3.36Å; G798-F800 PolarHBondContact O-N 2.96Å; F800-S884 WeakPolarHBondContact O-CA 3.45Å; F800-S884 WeakPolarHBondContact O-CB 3.37Å; F800-G885 VanDerWaalsContact CE2-CA 3.42Å; F800-G885 PolarHBondContact O-N 3.48Å |
| 801 | E | 90 | Very high | 91.2 | Very high | 90 Ų | 90 | 19.1 Ų | 19.1 | 42% | 0.421 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.4 | -178.7 | -68.9 | -174.9 | 170.8 | 0 | 0 | 114.2 | L799 V803 L886 | L799-E801 PolarHBondContact O-N 3.49Å; E801-V803 PolarHBondContact O-N 3.4Å; E801-L886 HydrophobicContact CB-CD2 4.32Å; E801-L886 HydrophobicContact CG-CD2 3.76Å; E801-L886 HydrophobicContact CG-CG 4.31Å |
| 802 | N | 92.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 11% | 0.107 | 9% | 0.094 | C | C | . | . | trans | -78.6 | 60 | -178 | -62.3 | -10.7 | 0 | 0 | 0 | 112.5 | L799 L854 Y855 Y856 | L799-N802 HydrophobicContact CB-CB 4.22Å; L799-N802 VanDerWaalsContact O-CB 3.31Å; L799-N802 WeakPolarHBondContact O-CB 3.49Å; L799-N802 PolarHBondContact O-N 3.07Å; N802-L854 WeakPolarHBondContact O-CA 3.48Å; N802-Y855 VanDerWaalsContact C-CE1 3.42Å; N802-Y855 VanDerWaalsContact CA-CZ 3.49Å; N802-Y855 HydrophobicContact CB-CD1 4.46Å; N802-Y855 HydrophobicContact CB-CD2 3.78Å; N802-Y855 HydrophobicContact CB-CE1 4.27Å; N802-Y855 HydrophobicContact CB-CE2 3.53Å; N802-Y855 HydrophobicContact CB-CG 4.24Å; N802-Y855 WeakPolarHBondContact CB-O 3.29Å; N802-Y855 PolarHBondContact O-N 2.96Å; N802-Y856 PolarHBondContact ND2-O 3.38Å | ||
| 803 | V | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.9 | 176.7 | -165.5 | 0 | 0 | 0 | 0 | 109.1 | E801 W852 F853 L854 Y855 I875 A880 L886 F910 | E801-V803 PolarHBondContact O-N 3.4Å; V803-W852 HydrophobicContact CG1-CE3 3.91Å; V803-W852 HydrophobicContact CG1-CZ3 4.34Å; V803-F853 CarbonylContact C-O 3.55Å; V803-F853 VanDerWaalsContact CA-O 3.28Å; V803-F853 WeakPolarHBondContact CA-O 3.15Å; V803-F853 WeakPolarHBondContact CG1-O 3.43Å; V803-L854 HydrophobicContact CG2-CD2 4.15Å; V803-Y855 WeakPolarHBondContact O-CE1 3.46Å; V803-I875 HydrophobicContact CG1-CD1 4.5Å; V803-A880 HydrophobicContact CG1-CB 4.02Å; V803-L886 HydrophobicContact CB-CD1 4.49Å; V803-L886 HydrophobicContact CG2-CD1 4.45Å; V803-F910 HydrophobicContact CB-CE1 3.91Å; V803-F910 HydrophobicContact CB-CZ 4.49Å; V803-F910 HydrophobicContact CG1-CE1 3.7Å; V803-F910 WeakPolarHBondContact O-CZ 3.23Å |
| 804 | A | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V824 R825 F853 Y855 | A804-V824 HydrophobicContact CB-CG1 3.82Å; A804-R825 CarbonylContact C-O 3.56Å; A804-R825 VanDerWaalsContact CA-O 3.26Å; A804-R825 WeakPolarHBondContact CA-O 3.42Å; A804-R825 WeakPolarHBondContact CB-O 3.46Å; A804-F853 HydrophobicContact CB-CB 4.34Å; A804-F853 PolarHBondContact N-O 2.84Å; A804-F853 PolarHBondContact O-N 3.01Å; A804-Y855 HydrophobicContact CB-CD1 3.95Å; A804-Y855 HydrophobicContact CB-CE1 3.97Å |
| 805 | K | 89.7 | Confident | 87.8 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.8 | 172.6 | -170.9 | 177.3 | 174.9 | 178.4 | 0 | 109.9 | V824 R825 E851 W852 H909 F910 | K805-V824 WeakPolarHBondContact O-CA 3.44Å; K805-R825 PolarHBondContact N-O 3.44Å; K805-R825 PolarHBondContact O-N 3.48Å; K805-E851 CarbonylContact C-O 3.54Å; K805-E851 VanDerWaalsContact CA-O 3.27Å; K805-E851 WeakPolarHBondContact CA-O 3.26Å; K805-E851 WeakPolarHBondContact CE-OE2 3.24Å; K805-E851 HydrophobicContact CG-CB 4.16Å; K805-E851 IonicContact NZ-OE2 2.71Å; K805-W852 HydrophobicContact CD-CZ2 4.42Å; K805-H909 WeakPolarHBondContact CD-O 3.3Å; K805-H909 PolarHBondContact NZ-O 3.46Å; K805-F910 HydrophobicContact CB-CZ 4.48Å |
| 806 | A | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V822 R823 V824 W848 E851 F853 | A806-V822 HydrophobicContact CB-CG1 4.08Å; A806-R823 CarbonylContact C-O 3.24Å; A806-R823 VanDerWaalsContact CA-O 3.31Å; A806-R823 WeakPolarHBondContact CA-O 3.44Å; A806-V824 HydrophobicContact CB-CG2 3.93Å; A806-W848 HydrophobicContact CB-CH2 3.56Å; A806-W848 HydrophobicContact CB-CZ3 3.46Å; A806-W848 VanDerWaalsContact CB-CZ3 3.46Å; A806-E851 PolarHBondContact N-O 3.28Å; A806-E851 VanDerWaalsContact O-CB 3.32Å; A806-E851 WeakPolarHBondContact O-CB 3.1Å; A806-E851 WeakPolarHBondContact O-CG 3.41Å; A806-F853 HydrophobicContact CB-CD2 4.08Å; A806-F853 HydrophobicContact CB-CE2 3.52Å; A806-F853 HydrophobicContact CB-CZ 4.42Å |
| 807 | T | 83.3 | Confident | 86.4 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.1 | 175.8 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | R823 | T807-R823 PolarHBondContact N-O 3.31Å; T807-R823 PolarHBondContact O-N 2.97Å; T807-R823 PolarHBondContact OG1-O 2.91Å |
| 808 | R | 80.3 | Confident | 85.7 | Confident | 57 Ų | 57 | 42.3 Ų | 42.3 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 148.8 | 172.5 | -62.2 | -171.3 | -166.1 | 151.7 | 5.2 | 111.6 | Q113 N845 A846 | Q113-R808 PolarHBondContact NE2-O 3.41Å; R808-N845 PolarHBondContact NE-O 3.32Å; R808-N845 PolarHBondContact NH2-O 3.33Å; R808-A846 PolarHBondContact NH2-O 3.12Å |
| 809 | G | 79.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | 161.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q113 D818 V819 A821 R823 | Q113-G809 PolarHBondContact NE2-O 3.4Å; G809-D818 CarbonylContact C-O 3.2Å; G809-D818 WeakPolarHBondContact CA-O 3.32Å; G809-V819 PolarHBondContact N-O 3.06Å; G809-A821 WeakPolarHBondContact CA-O 3.36Å; G809-A821 PolarHBondContact N-O 2.8Å; G809-R823 PolarHBondContact O-NE 3.06Å; G809-R823 PolarHBondContact O-NH2 3.1Å |
| 810 | R | 84.4 | Confident | 83.8 | Confident | 131 Ų | 131 | 51.3 Ų | 51.3 | 49% | 0.494 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.1 | 176.8 | 173.9 | -179.9 | 176.4 | -175.2 | 0.7 | 109.4 | D812 D818 A821 | R810-D812 PolarHBondContact O-N 3.44Å; R810-D818 PolarHBondContact N-O 3.25Å; R810-D818 PolarHBondContact O-N 2.91Å; R810-A821 HydrophobicContact CB-CB 3.67Å |
| 811 | V | 83.6 | Confident | 83.3 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.1 | 161.2 | -170.5 | 0 | 0 | 0 | 0 | 107.1 | I106 F109 K816 | I106-V811 HydrophobicContact CD1-CG1 4.5Å; I106-V811 HydrophobicContact CG2-CG1 4.42Å; I106-V811 HydrophobicContact CG2-CG2 4.15Å; F109-V811 HydrophobicContact CD1-CG2 3.68Å; F109-V811 HydrophobicContact CE1-CG2 3.84Å; V811-K816 WeakPolarHBondContact CA-O 3.34Å |
| 812 | D | 81 | Confident | 83 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | trans | -72.8 | 176.3 | 174.2 | 78.3 | 4.9 | 0 | 0 | 0 | 111.1 | R810 R814 G815 K816 | R810-D812 PolarHBondContact O-N 3.44Å; D812-R814 PolarHBondContact O-N 2.85Å; D812-R814 VanDerWaalsContact O-N 3.14Å; D812-R814 VanDerWaalsContact OD1-CA 3.3Å; D812-R814 WeakPolarHBondContact OD1-CA 3.37Å; D812-R814 WeakPolarHBondContact OD1-CB 3.42Å; D812-R814 PolarHBondContact OD1-N 3.23Å; D812-G815 PolarHBondContact O-N 2.77Å; D812-G815 PolarHBondContact OD1-N 3.06Å; D812-G815 VanDerWaalsContact OD1-N 3.11Å; D812-K816 PolarHBondContact N-O 3.44Å; D812-K816 PolarHBondContact OD1-N 3.44Å | ||
| 813 | Y | 77.5 | Confident | 82.6 | Confident | 188 Ų | 188 | 50.4 Ų | 50.4 | 74% | 0.737 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.5 | -178.8 | 71.5 | -86.5 | 0 | 0 | 0 | 113.6 | ||
| 814 | R | 77.5 | Confident | 82.4 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 0.8 | 179.4 | -52.5 | 177.2 | -176.9 | -171.7 | 0.4 | 112.1 | F100 D812 K816 | F100-R814 HydrophobicContact CE2-CB 4.49Å; D812-R814 PolarHBondContact O-N 2.85Å; D812-R814 VanDerWaalsContact O-N 3.14Å; D812-R814 VanDerWaalsContact OD1-CA 3.3Å; D812-R814 WeakPolarHBondContact OD1-CA 3.37Å; D812-R814 WeakPolarHBondContact OD1-CB 3.42Å; D812-R814 PolarHBondContact OD1-N 3.23Å; R814-K816 VanDerWaalsContact C-N 3.31Å |
| 815 | G | 79 | Confident | 82.2 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 80 | 8.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | I106 D812 | I106-G815 WeakPolarHBondContact CD1-O 3.31Å; D812-G815 PolarHBondContact O-N 2.77Å; D812-G815 PolarHBondContact OD1-N 3.06Å; D812-G815 VanDerWaalsContact OD1-N 3.11Å |
| 816 | K | 81.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 29% | 0.291 | 25% | 0.25 | S | C | . | . | trans | -81.8 | 129.8 | 174.3 | -173.6 | 177.4 | 178.6 | 178.6 | 0 | 109.5 | V32 F100 V811 D812 R814 D818 | V32-K816 PolarHBondContact O-NZ 2.98Å; F100-K816 HydrophobicContact CB-CB 3.92Å; F100-K816 HydrophobicContact CB-CG 4.01Å; F100-K816 HydrophobicContact CD1-CD 4.26Å; F100-K816 HydrophobicContact CD2-CB 3.93Å; F100-K816 HydrophobicContact CG-CB 3.97Å; F100-K816 HydrophobicContact CG-CD 4.25Å; F100-K816 HydrophobicContact CG-CG 4.1Å; V811-K816 WeakPolarHBondContact CA-O 3.34Å; D812-K816 PolarHBondContact N-O 3.44Å; D812-K816 PolarHBondContact OD1-N 3.44Å; R814-K816 VanDerWaalsContact C-N 3.31Å; K816-D818 PolarHBondContact O-N 2.85Å | ||
| 817 | I | 83.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 106.8 | 166.6 | -56 | 171.1 | 0 | 0 | 0 | 107.2 | H101 F109 V819 F977 | H101-I817 HydrophobicContact CB-CD1 4.24Å; H101-I817 HydrophobicContact CB-CG1 4.39Å; H101-I817 PolarHBondContact CE1-N 2.88Å; H101-I817 VanDerWaalsContact CE1-N 3.34Å; H101-I817 PolarHBondContact ND1-N 3.33Å; H101-I817 VanDerWaalsContact ND1-N 3.16Å; F109-I817 HydrophobicContact CB-CD1 3.66Å; F109-I817 HydrophobicContact CB-CG1 4.43Å; F109-I817 HydrophobicContact CD1-CD1 4.41Å; F109-I817 HydrophobicContact CD1-CG1 4.31Å; F109-I817 HydrophobicContact CD1-CG2 4.22Å; F109-I817 HydrophobicContact CD2-CD1 4.31Å; F109-I817 HydrophobicContact CD2-CG2 3.73Å; F109-I817 HydrophobicContact CE1-CG2 4.11Å; F109-I817 HydrophobicContact CE2-CG2 3.62Å; F109-I817 HydrophobicContact CG-CD1 3.88Å; F109-I817 HydrophobicContact CG-CG1 4.23Å; F109-I817 HydrophobicContact CG-CG2 4.02Å; F109-I817 HydrophobicContact CZ-CG2 3.81Å; I817-V819 HydrophobicContact CG2-CG1 3.91Å; I817-V819 PolarHBondContact O-N 3.04Å; I817-F977 HydrophobicContact CD1-CE1 4.15Å; I817-F977 HydrophobicContact CD1-CZ 4.49Å |
| 818 | D | 82.2 | Confident | 81.6 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 102.6 | 163.5 | 178.3 | -7.4 | 0 | 0 | 0 | 106.9 | G809 R810 K816 D820 A821 | G809-D818 CarbonylContact C-O 3.2Å; G809-D818 WeakPolarHBondContact CA-O 3.32Å; R810-D818 PolarHBondContact N-O 3.25Å; R810-D818 PolarHBondContact O-N 2.91Å; K816-D818 PolarHBondContact O-N 2.85Å; D818-D820 VanDerWaalsContact C-N 3.31Å; D818-D820 PolarHBondContact OD1-N 2.85Å; D818-A821 HydrophobicContact CB-CB 4.05Å; D818-A821 PolarHBondContact OD1-N 2.91Å; D818-A821 WeakPolarHBondContact OD2-CB 3.43Å |
| 819 | V | 76.5 | Confident | 81.6 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -24.2 | -179.5 | -77.2 | 0 | 0 | 0 | 0 | 113.2 | G809 I817 | G809-V819 PolarHBondContact N-O 3.06Å; I817-V819 HydrophobicContact CG2-CG1 3.91Å; I817-V819 PolarHBondContact O-N 3.04Å |
| 820 | D | 73.7 | Confident | 81.9 | Confident | 121 Ų | 121 | 62.5 Ų | 62.5 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -19.8 | -176.9 | -64.7 | -37.5 | 0 | 0 | 0 | 112.3 | D818 N845 | D818-D820 VanDerWaalsContact C-N 3.31Å; D818-D820 PolarHBondContact OD1-N 2.85Å; D820-N845 PolarHBondContact O-ND2 3.31Å |
| 821 | A | 80.9 | Confident | 82.1 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 143.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G809 R810 D818 | G809-A821 WeakPolarHBondContact CA-O 3.36Å; G809-A821 PolarHBondContact N-O 2.8Å; R810-A821 HydrophobicContact CB-CB 3.67Å; D818-A821 HydrophobicContact CB-CB 4.05Å; D818-A821 PolarHBondContact OD1-N 2.91Å; D818-A821 WeakPolarHBondContact OD2-CB 3.43Å |
| 822 | V | 83.1 | Confident | 82.3 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.218 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.1 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | A806 M842 N845 W848 | A806-V822 HydrophobicContact CB-CG1 4.08Å; V822-M842 HydrophobicContact CB-CE 3.75Å; V822-M842 HydrophobicContact CG1-CE 3.27Å; V822-M842 HydrophobicContact CG1-SD 4.21Å; V822-N845 HydrophobicContact CG2-CB 3.89Å; V822-N845 WeakPolarHBondContact CG2-ND2 3.36Å; V822-W848 HydrophobicContact CG1-CH2 3.46Å; V822-W848 VanDerWaalsContact CG1-CH2 3.46Å; V822-W848 HydrophobicContact CG1-CZ2 4.41Å; V822-W848 HydrophobicContact CG1-CZ3 3.93Å; V822-W848 HydrophobicContact CG2-CH2 4.46Å |
| 823 | R | 84.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 25% | 0.253 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.3 | 174.5 | -71.3 | -172.1 | -72.7 | 173.3 | 1.7 | 110 | A806 T807 G809 | A806-R823 CarbonylContact C-O 3.24Å; A806-R823 VanDerWaalsContact CA-O 3.31Å; A806-R823 WeakPolarHBondContact CA-O 3.44Å; T807-R823 PolarHBondContact N-O 3.31Å; T807-R823 PolarHBondContact O-N 2.97Å; T807-R823 PolarHBondContact OG1-O 2.91Å; G809-R823 PolarHBondContact O-NE 3.06Å; G809-R823 PolarHBondContact O-NH2 3.1Å |
| 824 | V | 88.3 | Confident | 82.8 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.4 | 174 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | A804 K805 A806 V832 I834 M842 | A804-V824 HydrophobicContact CB-CG1 3.82Å; K805-V824 WeakPolarHBondContact O-CA 3.44Å; A806-V824 HydrophobicContact CB-CG2 3.93Å; V824-V832 HydrophobicContact CB-CB 3.87Å; V824-V832 HydrophobicContact CB-CG1 4.19Å; V824-V832 HydrophobicContact CG1-CB 3.8Å; V824-V832 HydrophobicContact CG1-CG1 3.89Å; V824-V832 HydrophobicContact CG1-CG2 4.48Å; V824-V832 PolarHBondContact O-N 3.31Å; V824-I834 HydrophobicContact CG2-CD1 4.24Å; V824-M842 HydrophobicContact CG2-CE 3.19Å; V824-M842 HydrophobicContact CG2-SD 4.22Å |
| 825 | R | 88.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149 | 176.3 | -62.8 | -174.5 | -176.2 | 119.4 | -5 | 110.2 | A804 K805 H909 | A804-R825 CarbonylContact C-O 3.56Å; A804-R825 VanDerWaalsContact CA-O 3.26Å; A804-R825 WeakPolarHBondContact CA-O 3.42Å; A804-R825 WeakPolarHBondContact CB-O 3.46Å; K805-R825 PolarHBondContact N-O 3.44Å; K805-R825 PolarHBondContact O-N 3.48Å; R825-H909 WeakPolarHBondContact CB-NE2 3.46Å |
| 826 | E | 88.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -178.9 | 171.2 | 58.2 | 68.3 | -123.2 | 0 | 0 | 110.9 | L828 S829 K830 V832 Y855 K858 F867 H909 | E826-L828 VanDerWaalsContact C-N 3.26Å; E826-L828 PolarHBondContact O-N 3.06Å; E826-L828 VanDerWaalsContact O-N 3.13Å; E826-L828 VanDerWaalsContact OE1-C 3.25Å; E826-L828 WeakPolarHBondContact OE1-CA 3.34Å; E826-L828 WeakPolarHBondContact OE1-CB 3.47Å; E826-L828 PolarHBondContact OE1-N 3.41Å; E826-L828 PolarHBondContact OE2-N 3.32Å; E826-S829 WeakPolarHBondContact O-CA 3.46Å; E826-S829 PolarHBondContact O-N 3.48Å; E826-S829 PolarHBondContact OE1-N 3.47Å; E826-K830 WeakPolarHBondContact OE1-CB 3.22Å; E826-K830 PolarHBondContact OE1-N 2.92Å; E826-V832 HydrophobicContact CB-CG2 4.05Å; E826-V832 HydrophobicContact CG-CG2 3.91Å; E826-Y855 HydrophobicContact CB-CE1 4.38Å; E826-K858 IonicContact OE2-NZ 3.31Å; E826-K858 PolarHBondContact OE2-NZ 3.3Å; E826-F867 HydrophobicContact CG-CD2 3.88Å; E826-F867 HydrophobicContact CG-CE2 4.12Å; E826-H909 PolarHBondContact O-CE1 3.33Å; E826-H909 PolarHBondContact O-NE2 2.88Å |
| 827 | C | 80 | Confident | 80.9 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.9 | -171.8 | -168.7 | 0 | 0 | 0 | 0 | 114.3 | S829 L886 A907 F910 | C827-S829 PolarHBondContact O-N 2.89Å; C827-L886 HydrophobicContact CB-CD2 4.36Å; C827-A907 WeakPolarHBondContact O-CB 3.49Å; C827-F910 HydrophobicContact CB-CE2 4.42Å |
| 828 | L | 78.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 62 Ų | 62 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 9.9 | 174.6 | -52.9 | 175.6 | 0 | 0 | 0 | 113.7 | W536 E826 K830 | W536-L828 HydrophobicContact CZ3-CD1 4.04Å; E826-L828 VanDerWaalsContact C-N 3.26Å; E826-L828 PolarHBondContact O-N 3.06Å; E826-L828 VanDerWaalsContact O-N 3.13Å; E826-L828 VanDerWaalsContact OE1-C 3.25Å; E826-L828 WeakPolarHBondContact OE1-CA 3.34Å; E826-L828 WeakPolarHBondContact OE1-CB 3.47Å; E826-L828 PolarHBondContact OE1-N 3.41Å; E826-L828 PolarHBondContact OE2-N 3.32Å; L828-K830 HydrophobicContact CB-CG 4.22Å; L828-K830 PolarHBondContact O-N 2.95Å |
| 829 | S | 80.7 | Confident | 78.7 | Confident | 61 Ų | 61 | 64 Ų | 64 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | trans | 60.2 | 17.4 | -177.1 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | E826 C827 H909 | E826-S829 WeakPolarHBondContact O-CA 3.46Å; E826-S829 PolarHBondContact O-N 3.48Å; E826-S829 PolarHBondContact OE1-N 3.47Å; C827-S829 PolarHBondContact O-N 2.89Å; S829-H909 PolarHBondContact OG-CE1 3.46Å; S829-H909 PolarHBondContact OG-ND1 2.67Å | ||
| 830 | K | 85.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | trans | -75.2 | 146.5 | 176.4 | -62.7 | -65.4 | -175.1 | 176 | 0 | 110.4 | E826 L828 W860 F867 | E826-K830 WeakPolarHBondContact OE1-CB 3.22Å; E826-K830 PolarHBondContact OE1-N 2.92Å; L828-K830 HydrophobicContact CB-CG 4.22Å; L828-K830 PolarHBondContact O-N 2.95Å; K830-W860 HydrophobicContact CB-CZ3 4.44Å; K830-F867 HydrophobicContact CB-CD2 3.76Å; K830-F867 HydrophobicContact CB-CE2 3.63Å; K830-F867 HydrophobicContact CG-CE2 3.88Å | ||
| 831 | P | 88.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.7 | 177.5 | 26.6 | -32.9 | 0 | 0 | 0 | 111 | E865 S866 F867 | P831-E865 VanDerWaalsContact CG-O 3.31Å; P831-E865 WeakPolarHBondContact CG-O 3.4Å; P831-S866 WeakPolarHBondContact O-CA 3.47Å; P831-S866 WeakPolarHBondContact O-CB 2.94Å; P831-F867 PolarHBondContact O-N 3.38Å |
| 832 | V | 89.3 | Confident | 77.1 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.7 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | V824 E826 F867 V869 | V824-V832 HydrophobicContact CB-CB 3.87Å; V824-V832 HydrophobicContact CB-CG1 4.19Å; V824-V832 HydrophobicContact CG1-CB 3.8Å; V824-V832 HydrophobicContact CG1-CG1 3.89Å; V824-V832 HydrophobicContact CG1-CG2 4.48Å; V824-V832 PolarHBondContact O-N 3.31Å; E826-V832 HydrophobicContact CB-CG2 4.05Å; E826-V832 HydrophobicContact CG-CG2 3.91Å; V832-F867 CarbonylContact C-O 3.59Å; V832-F867 WeakPolarHBondContact CA-O 3.14Å; V832-F867 HydrophobicContact CG2-CB 4.25Å; V832-V869 HydrophobicContact CG1-CB 4.02Å; V832-V869 HydrophobicContact CG1-CG1 3.47Å; V832-V869 VanDerWaalsContact CG1-CG1 3.47Å; V832-V869 HydrophobicContact CG1-CG2 3.36Å; V832-V869 HydrophobicContact CG2-CG1 4.41Å |
| 833 | R | 87 | Confident | 76.3 | Confident | 143 Ų | 143 | 63.9 Ų | 63.9 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.1 | 169.3 | -67.6 | -175.9 | 177.4 | -166.5 | -0.1 | 108.9 | S866 F867 V868 V869 | R833-S866 WeakPolarHBondContact CD-OG 3.17Å; R833-S866 PolarHBondContact NE-OG 3.35Å; R833-F867 PolarHBondContact N-O 3.35Å; R833-V868 VanDerWaalsContact O-CA 3.3Å; R833-V868 WeakPolarHBondContact O-CA 3.48Å; R833-V869 PolarHBondContact O-N 2.88Å |
| 834 | I | 80.7 | Confident | 75.5 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.3 | -179.8 | -60.7 | 157.8 | 0 | 0 | 0 | 108.8 | V824 M842 V869 L872 | V824-I834 HydrophobicContact CG2-CD1 4.24Å; I834-M842 HydrophobicContact CD1-CE 3.55Å; I834-M842 HydrophobicContact CD1-CG 3.32Å; I834-M842 HydrophobicContact CD1-SD 3.24Å; I834-M842 WeakPolarHBondContact CD1-SD 3.49Å; I834-V869 HydrophobicContact CG1-CG2 4.09Å; I834-L872 HydrophobicContact CD1-CD2 3.55Å; I834-L872 HydrophobicContact CG1-CD2 3.96Å |
| 835 | R | 73.2 | Confident | 74.5 | Confident | 113 Ų | 113 | 66 Ų | 66 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | trans | -58.1 | 160.1 | 173.4 | -157.3 | 169 | -177.5 | -163.3 | -10.8 | 110.6 | L837 V869 D870 | R835-L837 PolarHBondContact O-N 2.81Å; R835-V869 PolarHBondContact N-O 3.22Å; R835-D870 IonicContact CZ-OD2 2.85Å; R835-D870 IonicContact NH1-OD2 2.64Å; R835-D870 PolarHBondContact NH1-OD2 2.65Å | ||
| 836 | R | 62.4 | Low | 73.5 | Confident | 176 Ų | 176 | 65.9 Ų | 65.9 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -59.7 | -43.7 | -167.5 | -80.6 | -171.7 | -174.9 | -162.5 | 2.1 | 114 | G838 K839 | R836-G838 PolarHBondContact O-N 3.32Å; R836-G838 VanDerWaalsContact O-N 3.17Å; R836-K839 PolarHBondContact O-N 3.46Å |
| 837 | L | 62.8 | Low | 72.9 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 111.2 | 169.1 | -73.1 | 99.4 | 0 | 0 | 0 | 107.9 | F686 F700 R835 | F686-L837 HydrophobicContact CD2-CD2 3.83Å; F686-L837 HydrophobicContact CE2-CD2 3.68Å; F700-L837 HydrophobicContact CB-CD2 4.28Å; F700-L837 HydrophobicContact CD1-CB 4.35Å; F700-L837 HydrophobicContact CD2-CB 4.45Å; F700-L837 HydrophobicContact CD2-CD2 3.64Å; F700-L837 HydrophobicContact CE1-CB 4.09Å; F700-L837 HydrophobicContact CE2-CB 4.23Å; F700-L837 HydrophobicContact CE2-CD2 4.07Å; F700-L837 HydrophobicContact CG-CD2 3.89Å; F700-L837 HydrophobicContact CZ-CB 4.05Å; R835-L837 PolarHBondContact O-N 2.81Å |
| 838 | G | 57 | Low | 72.9 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.7 | 7.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | R836 F841 | R836-G838 PolarHBondContact O-N 3.32Å; R836-G838 VanDerWaalsContact O-N 3.17Å; G838-F841 WeakPolarHBondContact O-CB 3.42Å |
| 839 | K | 62.5 | Low | 73.3 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.3 | -32.2 | 171.6 | -76 | -174.1 | 176 | -171.9 | 0 | 113.3 | R836 M842 K843 | R836-K839 PolarHBondContact O-N 3.46Å; K839-M842 WeakPolarHBondContact O-CB 3.42Å; K839-M842 PolarHBondContact O-N 2.87Å; K839-K843 PolarHBondContact O-N 3.21Å |
| 840 | T | 61.1 | Low | 73.7 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 173.8 | 30.4 | 0 | 0 | 0 | 0 | 111.9 | Q697 D701 M842 K843 E844 | Q697-T840 HydrophobicContact CG-CG2 4.46Å; Q697-T840 PolarHBondContact NE2-OG1 3.23Å; D701-T840 VanDerWaalsContact CG-OG1 3.26Å; D701-T840 WeakPolarHBondContact OD1-CB 3.34Å; D701-T840 PolarHBondContact OD1-OG1 2.68Å; D701-T840 WeakPolarHBondContact OD2-CB 3.09Å; D701-T840 VanDerWaalsContact OD2-CG2 3.28Å; D701-T840 WeakPolarHBondContact OD2-CG2 3.47Å; D701-T840 PolarHBondContact OD2-OG1 3.01Å; T840-M842 PolarHBondContact O-N 2.81Å; T840-M842 VanDerWaalsContact O-N 3.08Å; T840-K843 WeakPolarHBondContact O-CA 3.47Å; T840-K843 WeakPolarHBondContact O-CB 3.29Å; T840-K843 PolarHBondContact O-N 3.4Å; T840-E844 PolarHBondContact O-N 3.04Å |
| 841 | F | 67.3 | Low | 73.8 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -49.5 | -36.7 | 172 | 163 | -108.5 | 0 | 0 | 0 | 113.5 | L704 Y708 G838 W848 F853 L872 M874 | L704-F841 HydrophobicContact CD1-CB 4.27Å; Y708-F841 AromaticContact CD1-CD2 3.09Å; Y708-F841 HydrophobicContact CD1-CD2 3.09Å; Y708-F841 AromaticContact CD1-CE2 3.35Å; Y708-F841 HydrophobicContact CD1-CE2 3.35Å; Y708-F841 HydrophobicContact CD1-CG 4.33Å; Y708-F841 HydrophobicContact CD2-CE2 4.06Å; Y708-F841 AromaticContact CE1-CD2 3.79Å; Y708-F841 HydrophobicContact CE1-CD2 3.79Å; Y708-F841 HydrophobicContact CE1-CE2 4.1Å; Y708-F841 AromaticContact CG-CD2 3.56Å; Y708-F841 HydrophobicContact CG-CD2 3.56Å; Y708-F841 AromaticContact CG-CE2 3.28Å; Y708-F841 HydrophobicContact CG-CE2 3.28Å; Y708-F841 HydrophobicContact CG-CZ 4.46Å; G838-F841 WeakPolarHBondContact O-CB 3.42Å; F841-W848 AromaticContact CD2-NE1 3.99Å; F841-W848 AromaticContact CE1-CZ2 3.86Å; F841-W848 HydrophobicContact CE1-CZ2 3.86Å; F841-W848 AromaticContact CE2-CD1 3.81Å; F841-W848 AromaticContact CE2-CE2 3.85Å; F841-W848 HydrophobicContact CE2-CZ2 4.23Å; F841-W848 AromaticContact CE2-NE1 3.17Å; F841-W848 HydrophobicContact CZ-CD2 4.47Å; F841-W848 AromaticContact CZ-CE2 3.53Å; F841-W848 AromaticContact CZ-CZ2 3.55Å; F841-W848 HydrophobicContact CZ-CZ2 3.55Å; F841-W848 AromaticContact CZ-NE1 3.37Å; F841-W848 PolarHBondContact O-NE1 3.03Å; F841-W848 VanDerWaalsContact O-NE1 3.16Å; F841-F853 HydrophobicContact CE1-CD1 4.23Å; F841-F853 AromaticContact CE1-CE1 3.38Å; F841-F853 HydrophobicContact CE1-CE1 3.38Å; F841-F853 AromaticContact CE1-CZ 3.82Å; F841-F853 HydrophobicContact CE1-CZ 3.82Å; F841-F853 HydrophobicContact CE2-CE1 4.32Å; F841-F853 HydrophobicContact CZ-CD1 4.33Å; F841-F853 AromaticContact CZ-CE1 3.17Å; F841-F853 HydrophobicContact CZ-CE1 3.17Å; F841-F853 AromaticContact CZ-CZ 3.46Å; F841-F853 HydrophobicContact CZ-CZ 3.46Å; F841-F853 VanDerWaalsContact CZ-CZ 3.46Å; F841-L872 HydrophobicContact CD1-CD2 4.22Å; F841-L872 HydrophobicContact CE1-CD2 3.92Å; F841-M874 HydrophobicContact CE2-CE 3.55Å; F841-M874 HydrophobicContact CZ-CE 3.53Å |
| 842 | M | 68.6 | Low | 74 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.9 | -22.1 | 177.9 | -64 | -72.2 | -78.5 | 0 | 0 | 114 | V822 V824 I834 K839 T840 W848 | V822-M842 HydrophobicContact CB-CE 3.75Å; V822-M842 HydrophobicContact CG1-CE 3.27Å; V822-M842 HydrophobicContact CG1-SD 4.21Å; V824-M842 HydrophobicContact CG2-CE 3.19Å; V824-M842 HydrophobicContact CG2-SD 4.22Å; I834-M842 HydrophobicContact CD1-CE 3.55Å; I834-M842 HydrophobicContact CD1-CG 3.32Å; I834-M842 HydrophobicContact CD1-SD 3.24Å; I834-M842 WeakPolarHBondContact CD1-SD 3.49Å; K839-M842 WeakPolarHBondContact O-CB 3.42Å; K839-M842 PolarHBondContact O-N 2.87Å; T840-M842 PolarHBondContact O-N 2.81Å; T840-M842 VanDerWaalsContact O-N 3.08Å; M842-W848 HydrophobicContact CE-CH2 4.33Å; M842-W848 HydrophobicContact SD-CH2 3.73Å; M842-W848 HydrophobicContact SD-CZ2 3.61Å |
| 843 | K | 66.9 | Low | 74.1 | Confident | 169 Ų | 169 | 58.7 Ų | 58.7 | 74% | 0.735 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -78.5 | -34.5 | 176.8 | -66.7 | -179.1 | 176.8 | -178.3 | 0 | 111.6 | K839 T840 N845 | K839-K843 PolarHBondContact O-N 3.21Å; T840-K843 WeakPolarHBondContact O-CA 3.47Å; T840-K843 WeakPolarHBondContact O-CB 3.29Å; T840-K843 PolarHBondContact O-N 3.4Å; K843-N845 PolarHBondContact O-N 3.38Å |
| 844 | E | 67.6 | Low | 74.5 | Confident | 104 Ų | 104 | 51.9 Ų | 51.9 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | trans | -80.2 | 34.9 | 175.5 | -61.4 | -168.3 | 173.1 | 0 | 0 | 113.3 | Y708 T840 A846 N847 | Y708-E844 PolarHBondContact OH-OE2 3.47Å; T840-E844 PolarHBondContact O-N 3.04Å; E844-A846 PolarHBondContact O-N 2.96Å; E844-N847 PolarHBondContact O-N 3.46Å; E844-N847 VanDerWaalsContact O-N 3.13Å | ||
| 845 | N | 67.4 | Low | 75 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.2 | -170.4 | 66.8 | 30.7 | 0 | 0 | 0 | 113 | R808 D820 V822 K843 N847 W848 | R808-N845 PolarHBondContact NE-O 3.32Å; R808-N845 PolarHBondContact NH2-O 3.33Å; D820-N845 PolarHBondContact O-ND2 3.31Å; V822-N845 HydrophobicContact CG2-CB 3.89Å; V822-N845 WeakPolarHBondContact CG2-ND2 3.36Å; K843-N845 PolarHBondContact O-N 3.38Å; N845-N847 PolarHBondContact O-N 3.31Å; N845-W848 HydrophobicContact CB-CD2 4.07Å; N845-W848 HydrophobicContact CB-CE3 4.35Å; N845-W848 HydrophobicContact CB-CZ2 4.2Å; N845-W848 VanDerWaalsContact O-CB 3.29Å; N845-W848 WeakPolarHBondContact O-CB 3.48Å; N845-W848 PolarHBondContact O-N 3.47Å; N845-W848 VanDerWaalsContact O-N 3.12Å |
| 846 | A | 67.3 | Low | 75.9 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -55.7 | -34.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R808 E844 W848 K974 | R808-A846 PolarHBondContact NH2-O 3.12Å; E844-A846 PolarHBondContact O-N 2.96Å; A846-W848 VanDerWaalsContact C-N 3.34Å; A846-W848 PolarHBondContact O-N 3.09Å; A846-K974 PolarHBondContact O-NZ 2.75Å; A846-K974 VanDerWaalsContact O-NZ 3.1Å |
| 847 | N | 75.8 | Confident | 77.1 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -84.4 | -7 | -175.6 | -71.3 | -21.1 | 0 | 0 | 0 | 113.7 | Y708 E844 N845 W849 | Y708-N847 HydrophobicContact CE2-CB 4.16Å; Y708-N847 WeakPolarHBondContact OH-CB 3.43Å; E844-N847 PolarHBondContact O-N 3.46Å; E844-N847 VanDerWaalsContact O-N 3.13Å; N845-N847 PolarHBondContact O-N 3.31Å; N847-W849 PolarHBondContact O-N 3.14Å |
| 848 | W | 81.6 | Confident | 78.4 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | trans | -58.7 | 133.3 | -179.2 | -66.2 | -0 | 0 | 0 | 0 | 112.5 | A806 V822 F841 M842 N845 A846 F853 M874 K974 | A806-W848 HydrophobicContact CB-CH2 3.56Å; A806-W848 HydrophobicContact CB-CZ3 3.46Å; A806-W848 VanDerWaalsContact CB-CZ3 3.46Å; V822-W848 HydrophobicContact CG1-CH2 3.46Å; V822-W848 VanDerWaalsContact CG1-CH2 3.46Å; V822-W848 HydrophobicContact CG1-CZ2 4.41Å; V822-W848 HydrophobicContact CG1-CZ3 3.93Å; V822-W848 HydrophobicContact CG2-CH2 4.46Å; F841-W848 AromaticContact CD2-NE1 3.99Å; F841-W848 AromaticContact CE1-CZ2 3.86Å; F841-W848 HydrophobicContact CE1-CZ2 3.86Å; F841-W848 AromaticContact CE2-CD1 3.81Å; F841-W848 AromaticContact CE2-CE2 3.85Å; F841-W848 HydrophobicContact CE2-CZ2 4.23Å; F841-W848 AromaticContact CE2-NE1 3.17Å; F841-W848 HydrophobicContact CZ-CD2 4.47Å; F841-W848 AromaticContact CZ-CE2 3.53Å; F841-W848 AromaticContact CZ-CZ2 3.55Å; F841-W848 HydrophobicContact CZ-CZ2 3.55Å; F841-W848 AromaticContact CZ-NE1 3.37Å; F841-W848 PolarHBondContact O-NE1 3.03Å; F841-W848 VanDerWaalsContact O-NE1 3.16Å; M842-W848 HydrophobicContact CE-CH2 4.33Å; M842-W848 HydrophobicContact SD-CH2 3.73Å; M842-W848 HydrophobicContact SD-CZ2 3.61Å; N845-W848 HydrophobicContact CB-CD2 4.07Å; N845-W848 HydrophobicContact CB-CE3 4.35Å; N845-W848 HydrophobicContact CB-CZ2 4.2Å; N845-W848 VanDerWaalsContact O-CB 3.29Å; N845-W848 WeakPolarHBondContact O-CB 3.48Å; N845-W848 PolarHBondContact O-N 3.47Å; N845-W848 VanDerWaalsContact O-N 3.12Å; A846-W848 VanDerWaalsContact C-N 3.34Å; A846-W848 PolarHBondContact O-N 3.09Å; W848-F853 HydrophobicContact CH2-CE2 4.36Å; W848-F853 HydrophobicContact CH2-CZ 4.12Å; W848-F853 HydrophobicContact CZ2-CZ 4.24Å; W848-F853 HydrophobicContact CZ3-CE2 4.4Å; W848-F853 HydrophobicContact CZ3-CZ 4.35Å; W848-M874 HydrophobicContact CB-CE 3.74Å; W848-M874 HydrophobicContact CB-SD 4.42Å; W848-M874 VanDerWaalsContact CD1-CE 3.45Å; W848-M874 HydrophobicContact CD2-CE 3.95Å; W848-M874 HydrophobicContact CG-CE 3.45Å; W848-M874 VanDerWaalsContact CG-CE 3.45Å; W848-K974 WeakPolarHBondContact O-CE 3.47Å; W848-K974 PolarHBondContact O-NZ 2.68Å | ||
| 849 | W | 85.5 | Confident | 79.9 | Confident | 45 Ų | 45 | 43.3 Ų | 43.3 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -102.4 | -8.6 | 174.9 | 50 | -97.4 | 0 | 0 | 0 | 112.4 | Y708 N847 M874 K971 Q972 | Y708-W849 AromaticContact CD2-NE1 3.94Å; N847-W849 PolarHBondContact O-N 3.14Å; W849-M874 HydrophobicContact CD2-CG 4.4Å; W849-M874 HydrophobicContact CD2-SD 3.61Å; W849-M874 HydrophobicContact CE3-CG 4.44Å; W849-M874 HydrophobicContact CE3-SD 4.11Å; W849-M874 HydrophobicContact CG-SD 3.98Å; W849-M874 HydrophobicContact CH2-CB 4.11Å; W849-M874 HydrophobicContact CH2-CG 3.83Å; W849-M874 WeakPolarHBondContact CH2-O 3.5Å; W849-M874 HydrophobicContact CH2-SD 4.26Å; W849-M874 HydrophobicContact CZ2-CB 3.84Å; W849-M874 HydrophobicContact CZ2-CG 3.76Å; W849-M874 HydrophobicContact CZ2-SD 3.77Å; W849-M874 HydrophobicContact CZ3-CG 4.17Å; W849-M874 HydrophobicContact CZ3-SD 4.41Å; W849-K971 HydrophobicContact CB-CD 4.11Å; W849-K971 HydrophobicContact CB-CG 4.43Å; W849-Q972 WeakPolarHBondContact O-CG 3.47Å |
| 850 | S | 89.2 | Confident | 81.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -146.8 | 158.2 | 167.7 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | W852 M874 I875 Q972 | S850-W852 PolarHBondContact OG-N 2.99Å; S850-W852 VanDerWaalsContact OG-N 3.12Å; S850-M874 PolarHBondContact N-SD 3.11Å; S850-I875 WeakPolarHBondContact CB-O 3.23Å; S850-I875 PolarHBondContact OG-O 3.26Å; S850-Q972 PolarHBondContact OG-OE1 3.2Å | ||
| 851 | E | 88.4 | Confident | 82.4 | Confident | 37 Ų | 37 | 41 Ų | 41 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -94.1 | -2.8 | 170.6 | -70.9 | 178.8 | 157.2 | 0 | 0 | 112.9 | K805 A806 F853 | K805-E851 CarbonylContact C-O 3.54Å; K805-E851 VanDerWaalsContact CA-O 3.27Å; K805-E851 WeakPolarHBondContact CA-O 3.26Å; K805-E851 WeakPolarHBondContact CE-OE2 3.24Å; K805-E851 HydrophobicContact CG-CB 4.16Å; K805-E851 IonicContact NZ-OE2 2.71Å; A806-E851 PolarHBondContact N-O 3.28Å; A806-E851 VanDerWaalsContact O-CB 3.32Å; A806-E851 WeakPolarHBondContact O-CB 3.1Å; A806-E851 WeakPolarHBondContact O-CG 3.41Å; E851-F853 WeakPolarHBondContact O-CD2 3.35Å; E851-F853 VanDerWaalsContact O-CE2 3.28Å; E851-F853 WeakPolarHBondContact O-CE2 3.31Å |
| 852 | W | 91.8 | Very high | 83 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141 | -170.8 | -67.9 | 68.9 | 0 | 0 | 0 | 111.6 | V803 K805 S850 M874 I875 P877 A880 L904 F910 | V803-W852 HydrophobicContact CG1-CE3 3.91Å; V803-W852 HydrophobicContact CG1-CZ3 4.34Å; K805-W852 HydrophobicContact CD-CZ2 4.42Å; S850-W852 PolarHBondContact OG-N 2.99Å; S850-W852 VanDerWaalsContact OG-N 3.12Å; W852-M874 WeakPolarHBondContact O-CA 3.41Å; W852-I875 HydrophobicContact CB-CD1 4.49Å; W852-I875 HydrophobicContact CB-CG1 4.04Å; W852-I875 PolarHBondContact O-N 3.37Å; W852-P877 HydrophobicContact CD2-CB 4Å; W852-P877 HydrophobicContact CG-CB 3.98Å; W852-P877 HydrophobicContact CZ2-CB 4.44Å; W852-A880 HydrophobicContact CE3-CB 3.56Å; W852-A880 HydrophobicContact CZ3-CB 3.73Å; W852-L904 HydrophobicContact CH2-CD1 3.64Å; W852-L904 HydrophobicContact CZ3-CD1 3.95Å; W852-F910 HydrophobicContact CE3-CD1 4.12Å; W852-F910 HydrophobicContact CE3-CE1 4.2Å; W852-F910 HydrophobicContact CH2-CB 3.98Å; W852-F910 AromaticContact CH2-CD1 3.54Å; W852-F910 HydrophobicContact CH2-CD1 3.54Å; W852-F910 HydrophobicContact CH2-CE1 4.39Å; W852-F910 HydrophobicContact CH2-CG 4.13Å; W852-F910 AromaticContact CZ3-CD1 3.29Å; W852-F910 HydrophobicContact CZ3-CD1 3.29Å; W852-F910 AromaticContact CZ3-CE1 3.78Å; W852-F910 HydrophobicContact CZ3-CE1 3.78Å; W852-F910 HydrophobicContact CZ3-CG 4.3Å |
| 853 | F | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145 | -174.3 | -62.7 | -87.1 | 0 | 0 | 0 | 111.7 | V803 A804 A806 F841 W848 E851 L872 S873 M874 | V803-F853 CarbonylContact C-O 3.55Å; V803-F853 VanDerWaalsContact CA-O 3.28Å; V803-F853 WeakPolarHBondContact CA-O 3.15Å; V803-F853 WeakPolarHBondContact CG1-O 3.43Å; A804-F853 HydrophobicContact CB-CB 4.34Å; A804-F853 PolarHBondContact N-O 2.84Å; A804-F853 PolarHBondContact O-N 3.01Å; A806-F853 HydrophobicContact CB-CD2 4.08Å; A806-F853 HydrophobicContact CB-CE2 3.52Å; A806-F853 HydrophobicContact CB-CZ 4.42Å; F841-F853 HydrophobicContact CE1-CD1 4.23Å; F841-F853 AromaticContact CE1-CE1 3.38Å; F841-F853 HydrophobicContact CE1-CE1 3.38Å; F841-F853 AromaticContact CE1-CZ 3.82Å; F841-F853 HydrophobicContact CE1-CZ 3.82Å; F841-F853 HydrophobicContact CE2-CE1 4.32Å; F841-F853 HydrophobicContact CZ-CD1 4.33Å; F841-F853 AromaticContact CZ-CE1 3.17Å; F841-F853 HydrophobicContact CZ-CE1 3.17Å; F841-F853 AromaticContact CZ-CZ 3.46Å; F841-F853 HydrophobicContact CZ-CZ 3.46Å; F841-F853 VanDerWaalsContact CZ-CZ 3.46Å; W848-F853 HydrophobicContact CH2-CE2 4.36Å; W848-F853 HydrophobicContact CH2-CZ 4.12Å; W848-F853 HydrophobicContact CZ2-CZ 4.24Å; W848-F853 HydrophobicContact CZ3-CE2 4.4Å; W848-F853 HydrophobicContact CZ3-CZ 4.35Å; E851-F853 WeakPolarHBondContact O-CD2 3.35Å; E851-F853 VanDerWaalsContact O-CE2 3.28Å; E851-F853 WeakPolarHBondContact O-CE2 3.31Å; F853-L872 HydrophobicContact CB-CD1 3.57Å; F853-L872 HydrophobicContact CB-CG 4.04Å; F853-L872 HydrophobicContact CD1-CD1 4.21Å; F853-L872 HydrophobicContact CD1-CD2 3.82Å; F853-L872 HydrophobicContact CD1-CG 3.75Å; F853-L872 HydrophobicContact CE1-CD2 4.31Å; F853-L872 HydrophobicContact CG-CD1 4.03Å; F853-L872 HydrophobicContact CG-CD2 4.23Å; F853-L872 HydrophobicContact CG-CG 4.1Å; F853-S873 CarbonylContact C-O 3.56Å; F853-S873 VanDerWaalsContact CA-O 3.24Å; F853-S873 WeakPolarHBondContact CA-O 3.35Å; F853-M874 HydrophobicContact CD1-CB 4.02Å; F853-M874 HydrophobicContact CD1-CG 4.46Å; F853-M874 HydrophobicContact CE1-CB 3.6Å; F853-M874 HydrophobicContact CE1-CE 3.87Å; F853-M874 HydrophobicContact CE1-CG 3.84Å; F853-M874 HydrophobicContact CZ-CB 4.36Å; F853-M874 HydrophobicContact CZ-CE 3.73Å; F853-M874 HydrophobicContact CZ-CG 4.1Å |
| 854 | L | 93.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 153.4 | 158.9 | -63.1 | 173.2 | 0 | 0 | 0 | 109.6 | A796 L799 N802 V803 L872 S873 I875 | A796-L854 HydrophobicContact CB-CD1 3.82Å; A796-L854 HydrophobicContact CB-CD2 3.93Å; L799-L854 HydrophobicContact CD1-CB 4Å; L799-L854 HydrophobicContact CD1-CD1 4.37Å; N802-L854 WeakPolarHBondContact O-CA 3.48Å; V803-L854 HydrophobicContact CG2-CD2 4.15Å; L854-L872 CarbonylContact O-C 3.43Å; L854-L872 VanDerWaalsContact O-CA 3.26Å; L854-L872 WeakPolarHBondContact O-CA 3.39Å; L854-S873 PolarHBondContact N-O 3.28Å; L854-S873 PolarHBondContact O-N 3.22Å; L854-I875 HydrophobicContact CD1-CG2 3.66Å; L854-I875 HydrophobicContact CD2-CD1 3.84Å; L854-I875 HydrophobicContact CG-CD1 3.79Å; L854-I875 HydrophobicContact CG-CG1 4.19Å; L854-I875 HydrophobicContact CG-CG2 3.76Å |
| 855 | Y | 93.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -136.8 | 148.9 | 165.1 | 56.8 | -91.1 | 0 | 0 | 0 | 110.1 | N802 V803 A804 E826 K858 V869 | N802-Y855 VanDerWaalsContact C-CE1 3.42Å; N802-Y855 VanDerWaalsContact CA-CZ 3.49Å; N802-Y855 HydrophobicContact CB-CD1 4.46Å; N802-Y855 HydrophobicContact CB-CD2 3.78Å; N802-Y855 HydrophobicContact CB-CE1 4.27Å; N802-Y855 HydrophobicContact CB-CE2 3.53Å; N802-Y855 HydrophobicContact CB-CG 4.24Å; N802-Y855 WeakPolarHBondContact CB-O 3.29Å; N802-Y855 PolarHBondContact O-N 2.96Å; V803-Y855 WeakPolarHBondContact O-CE1 3.46Å; A804-Y855 HydrophobicContact CB-CD1 3.95Å; A804-Y855 HydrophobicContact CB-CE1 3.97Å; E826-Y855 HydrophobicContact CB-CE1 4.38Å; Y855-K858 HydrophobicContact CD2-CB 4.26Å; Y855-K858 HydrophobicContact CE2-CB 3.82Å; Y855-K858 HydrophobicContact CE2-CD 3.83Å; Y855-K858 HydrophobicContact CE2-CG 4.01Å; Y855-K858 PolarHBondContact OH-NZ 3.03Å; Y855-V869 HydrophobicContact CD1-CG1 4.22Å; Y855-V869 HydrophobicContact CD2-CB 4.36Å; Y855-V869 HydrophobicContact CD2-CG1 3.92Å; Y855-V869 HydrophobicContact CE2-CG1 4.3Å; Y855-V869 HydrophobicContact CG-CB 4.14Å; Y855-V869 HydrophobicContact CG-CG1 3.89Å | ||
| 856 | Y | 91.4 | Very high | 86.3 | Confident | 17 Ų | 17 | 46 Ų | 46 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -75.4 | -49.5 | -179.5 | 172.3 | -117.8 | 0 | 0 | 0 | 111.8 | L656 Y679 L799 N802 D870 | L656-Y856 HydrophobicContact CD1-CE2 4.05Å; L656-Y856 HydrophobicContact CD2-CD2 4.26Å; L656-Y856 HydrophobicContact CD2-CE2 3.78Å; L656-Y856 HydrophobicContact CG-CE2 3.91Å; Y679-Y856 AromaticContact CD1-CD1 3.24Å; Y679-Y856 HydrophobicContact CD1-CD1 3.24Å; Y679-Y856 HydrophobicContact CD1-CD2 4.16Å; Y679-Y856 AromaticContact CD1-CE1 3.77Å; Y679-Y856 HydrophobicContact CD1-CE1 3.77Å; Y679-Y856 AromaticContact CD1-CG 3.46Å; Y679-Y856 HydrophobicContact CD1-CG 3.46Å; Y679-Y856 VanDerWaalsContact CD1-CG 3.46Å; Y679-Y856 HydrophobicContact CD2-CD2 4.07Å; Y679-Y856 HydrophobicContact CD2-CG 4.1Å; Y679-Y856 AromaticContact CE1-CD1 3.84Å; Y679-Y856 HydrophobicContact CE1-CD1 3.84Å; Y679-Y856 AromaticContact CE1-CG 3.8Å; Y679-Y856 HydrophobicContact CE1-CG 3.8Å; Y679-Y856 HydrophobicContact CE2-CG 4.35Å; Y679-Y856 AromaticContact CG-CD1 3.72Å; Y679-Y856 HydrophobicContact CG-CD1 3.72Å; Y679-Y856 AromaticContact CG-CD2 3.87Å; Y679-Y856 HydrophobicContact CG-CD2 3.87Å; Y679-Y856 AromaticContact CG-CE1 3.96Å; Y679-Y856 HydrophobicContact CG-CE1 3.96Å; Y679-Y856 HydrophobicContact CG-CE2 4.13Å; Y679-Y856 AromaticContact CG-CG 3.67Å; Y679-Y856 HydrophobicContact CG-CG 3.67Å; L799-Y856 HydrophobicContact CD2-CD2 3.9Å; N802-Y856 PolarHBondContact ND2-O 3.38Å; Y856-D870 PolarHBondContact N-O 3.37Å |
| 857 | Q | 87.7 | Confident | 87.4 | Confident | 75 Ų | 75 | 43 Ų | 43 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.3 | -177 | 61.6 | 179.2 | -13 | 0 | 0 | 111.4 | V869 D870 | Q857-V869 WeakPolarHBondContact O-CA 3.26Å; Q857-D870 HydrophobicContact CG-CB 3.68Å; Q857-D870 PolarHBondContact NE2-OD2 3.47Å; Q857-D870 PolarHBondContact O-N 3.31Å |
| 858 | K | 89.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.8 | 172.3 | 68.6 | -177.2 | 172.9 | -163.6 | 0 | 110.7 | E826 Y855 F867 V868 V869 | E826-K858 IonicContact OE2-NZ 3.31Å; E826-K858 PolarHBondContact OE2-NZ 3.3Å; Y855-K858 HydrophobicContact CD2-CB 4.26Å; Y855-K858 HydrophobicContact CE2-CB 3.82Å; Y855-K858 HydrophobicContact CE2-CD 3.83Å; Y855-K858 HydrophobicContact CE2-CG 4.01Å; Y855-K858 PolarHBondContact OH-NZ 3.03Å; K858-F867 HydrophobicContact CB-CB 4.3Å; K858-F867 HydrophobicContact CB-CD1 4.05Å; K858-F867 HydrophobicContact CB-CG 4.34Å; K858-F867 HydrophobicContact CD-CD1 3.82Å; K858-F867 HydrophobicContact CD-CD2 4.26Å; K858-F867 HydrophobicContact CD-CE1 3.93Å; K858-F867 HydrophobicContact CD-CE2 4.34Å; K858-F867 HydrophobicContact CD-CG 4Å; K858-F867 HydrophobicContact CD-CZ 4.19Å; K858-F867 HydrophobicContact CG-CD1 3.91Å; K858-F867 HydrophobicContact CG-CE1 4.19Å; K858-F867 HydrophobicContact CG-CG 4.43Å; K858-V868 WeakPolarHBondContact CA-O 3.41Å; K858-V869 HydrophobicContact CB-CG1 3.9Å |
| 859 | I | 88.6 | Confident | 88.4 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.2 | 175.4 | -61 | 169 | 0 | 0 | 0 | 108.2 | L537 H539 N861 F867 V868 | L537-I859 WeakPolarHBondContact O-CA 3.45Å; H539-I859 HydrophobicContact CB-CG2 4.42Å; I859-N861 PolarHBondContact O-N 3.19Å; I859-F867 CarbonylContact O-C 3.54Å; I859-F867 WeakPolarHBondContact O-CA 3.3Å; I859-V868 PolarHBondContact N-O 3.33Å; I859-V868 PolarHBondContact O-N 3.35Å |
| 860 | W | 89.4 | Confident | 88.4 | Confident | 36 Ų | 36 | 39.3 Ų | 39.3 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.5 | 175.7 | -178.1 | -104.7 | 0 | 0 | 0 | 111 | W536 L537 S538 K830 E865 F867 | W536-W860 AromaticContact CD1-CG 3.73Å; W536-W860 HydrophobicContact CG-CB 4.09Å; W536-W860 AromaticContact NE1-CD1 3.76Å; W536-W860 AromaticContact NE1-CD2 3.9Å; W536-W860 AromaticContact NE1-CG 3.46Å; L537-W860 PolarHBondContact O-N 3.15Å; S538-W860 PolarHBondContact OG-O 2.77Å; K830-W860 HydrophobicContact CB-CZ3 4.44Å; W860-E865 HydrophobicContact CH2-CB 4.25Å; W860-E865 VanDerWaalsContact CH2-O 3.26Å; W860-E865 WeakPolarHBondContact CH2-O 3.27Å; W860-E865 HydrophobicContact CZ2-CB 4.12Å; W860-F867 HydrophobicContact CB-CD1 4.22Å; W860-F867 HydrophobicContact CB-CE1 4.03Å; W860-F867 HydrophobicContact CD2-CE1 4.48Å; W860-F867 AromaticContact CE3-CD1 3.83Å; W860-F867 HydrophobicContact CE3-CD1 3.83Å; W860-F867 HydrophobicContact CE3-CD2 4.2Å; W860-F867 AromaticContact CE3-CE1 3.72Å; W860-F867 HydrophobicContact CE3-CE1 3.72Å; W860-F867 HydrophobicContact CE3-CE2 4.12Å; W860-F867 HydrophobicContact CE3-CG 4.06Å; W860-F867 AromaticContact CE3-CZ 3.87Å; W860-F867 HydrophobicContact CE3-CZ 3.87Å; W860-F867 HydrophobicContact CZ3-CD2 4.29Å; W860-F867 HydrophobicContact CZ3-CE2 4.23Å; W860-F867 HydrophobicContact CZ3-CZ 4.37Å |
| 861 | N | 86.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.1 | 172.2 | -175.6 | -21.4 | 0 | 0 | 0 | 109.6 | I859 K863 S864 E865 S866 V868 | I859-N861 PolarHBondContact O-N 3.19Å; N861-K863 VanDerWaalsContact C-N 3.32Å; N861-K863 PolarHBondContact O-N 2.84Å; N861-K863 WeakPolarHBondContact OD1-CB 3.36Å; N861-K863 PolarHBondContact OD1-N 3.28Å; N861-S864 WeakPolarHBondContact CB-OG 3.19Å; N861-S864 VanDerWaalsContact CG-OG 3.27Å; N861-S864 PolarHBondContact ND2-OG 2.93Å; N861-S864 PolarHBondContact O-N 2.82Å; N861-S864 PolarHBondContact OD1-N 2.9Å; N861-E865 PolarHBondContact O-N 3.39Å; N861-S866 PolarHBondContact N-O 2.82Å; N861-S866 PolarHBondContact O-N 2.8Å; N861-V868 HydrophobicContact CB-CG2 4.14Å |
| 862 | E | 81.5 | Confident | 88.3 | Confident | 90 Ų | 90 | 38.4 Ų | 38.4 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -58.9 | -41.1 | -179.7 | -64.4 | -176.5 | 153.1 | 0 | 0 | 112 | R540 S864 E865 | R540-E862 IonicContact CZ-OE1 3.8Å; R540-E862 IonicContact CZ-OE2 2.81Å; R540-E862 IonicContact NE-OE1 2.78Å; R540-E862 IonicContact NE-OE2 3.66Å; R540-E862 PolarHBondContact NE-OE2 2.85Å; R540-E862 IonicContact NH2-OE1 3.93Å; R540-E862 PolarHBondContact NH2-OE1 3.5Å; R540-E862 IonicContact NH2-OE2 3.83Å; R540-E862 PolarHBondContact NH2-OE2 2.93Å; E862-S864 VanDerWaalsContact C-N 3.29Å; E862-S864 PolarHBondContact O-N 3.47Å; E862-E865 PolarHBondContact O-N 3.28Å |
| 863 | K | 80.1 | Confident | 88.3 | Confident | 173 Ų | 173 | 38.4 Ų | 38.4 | 75% | 0.752 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -64.3 | -33.2 | -177.4 | -172.5 | 172.5 | -172.4 | 167.1 | 0 | 112.8 | E427 N861 | E427-K863 IonicContact OE1-NZ 3.5Å; E427-K863 PolarHBondContact OE1-NZ 3.43Å; E427-K863 VanDerWaalsContact OE1-NZ 3.15Å; N861-K863 VanDerWaalsContact C-N 3.32Å; N861-K863 PolarHBondContact O-N 2.84Å; N861-K863 WeakPolarHBondContact OD1-CB 3.36Å; N861-K863 PolarHBondContact OD1-N 3.28Å |
| 864 | S | 82.8 | Confident | 88.3 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 16% | 0.161 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -107.4 | 3.3 | -178.1 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | N861 E862 S866 | N861-S864 WeakPolarHBondContact CB-OG 3.19Å; N861-S864 VanDerWaalsContact CG-OG 3.27Å; N861-S864 PolarHBondContact ND2-OG 2.93Å; N861-S864 PolarHBondContact O-N 2.82Å; N861-S864 PolarHBondContact OD1-N 2.9Å; E862-S864 VanDerWaalsContact C-N 3.29Å; E862-S864 PolarHBondContact O-N 3.47Å; S864-S866 WeakPolarHBondContact CB-OG 3.37Å; S864-S866 PolarHBondContact O-N 2.72Å; S864-S866 PolarHBondContact O-OG 3.07Å; S864-S866 PolarHBondContact OG-OG 3.17Å |
| 865 | E | 86.1 | Confident | 88.2 | Confident | 144 Ų | 144 | 38.3 Ų | 38.3 | 67% | 0.673 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.6 | 43.9 | -176.1 | -59.1 | -173.9 | 157.7 | 0 | 0 | 113 | P831 W860 N861 E862 | P831-E865 VanDerWaalsContact CG-O 3.31Å; P831-E865 WeakPolarHBondContact CG-O 3.4Å; W860-E865 HydrophobicContact CH2-CB 4.25Å; W860-E865 VanDerWaalsContact CH2-O 3.26Å; W860-E865 WeakPolarHBondContact CH2-O 3.27Å; W860-E865 HydrophobicContact CZ2-CB 4.12Å; N861-E865 PolarHBondContact O-N 3.39Å; E862-E865 PolarHBondContact O-N 3.28Å |
| 866 | S | 90 | Very high | 88.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.3 | -175.5 | 35 | 0 | 0 | 0 | 0 | 111.1 | P831 R833 N861 S864 | P831-S866 WeakPolarHBondContact O-CA 3.47Å; P831-S866 WeakPolarHBondContact O-CB 2.94Å; R833-S866 WeakPolarHBondContact CD-OG 3.17Å; R833-S866 PolarHBondContact NE-OG 3.35Å; N861-S866 PolarHBondContact N-O 2.82Å; N861-S866 PolarHBondContact O-N 2.8Å; S864-S866 WeakPolarHBondContact CB-OG 3.37Å; S864-S866 PolarHBondContact O-N 2.72Å; S864-S866 PolarHBondContact O-OG 3.07Å; S864-S866 PolarHBondContact OG-OG 3.17Å |
| 867 | F | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.3 | 169 | -72.5 | -64.6 | 0 | 0 | 0 | 109.8 | W536 E826 K830 P831 V832 R833 K858 I859 W860 | W536-F867 HydrophobicContact CB-CE1 3.8Å; W536-F867 HydrophobicContact CB-CZ 4.26Å; W536-F867 AromaticContact CD2-CE1 3.98Å; W536-F867 HydrophobicContact CD2-CE1 3.98Å; W536-F867 AromaticContact CD2-CZ 3.75Å; W536-F867 HydrophobicContact CD2-CZ 3.75Å; W536-F867 HydrophobicContact CE3-CE1 4.27Å; W536-F867 AromaticContact CE3-CZ 3.6Å; W536-F867 HydrophobicContact CE3-CZ 3.6Å; W536-F867 AromaticContact CG-CE1 3.78Å; W536-F867 HydrophobicContact CG-CE1 3.78Å; W536-F867 HydrophobicContact CG-CZ 4.05Å; W536-F867 HydrophobicContact CZ3-CZ 4.24Å; E826-F867 HydrophobicContact CG-CD2 3.88Å; E826-F867 HydrophobicContact CG-CE2 4.12Å; K830-F867 HydrophobicContact CB-CD2 3.76Å; K830-F867 HydrophobicContact CB-CE2 3.63Å; K830-F867 HydrophobicContact CG-CE2 3.88Å; P831-F867 PolarHBondContact O-N 3.38Å; V832-F867 CarbonylContact C-O 3.59Å; V832-F867 WeakPolarHBondContact CA-O 3.14Å; V832-F867 HydrophobicContact CG2-CB 4.25Å; R833-F867 PolarHBondContact N-O 3.35Å; K858-F867 HydrophobicContact CB-CB 4.3Å; K858-F867 HydrophobicContact CB-CD1 4.05Å; K858-F867 HydrophobicContact CB-CG 4.34Å; K858-F867 HydrophobicContact CD-CD1 3.82Å; K858-F867 HydrophobicContact CD-CD2 4.26Å; K858-F867 HydrophobicContact CD-CE1 3.93Å; K858-F867 HydrophobicContact CD-CE2 4.34Å; K858-F867 HydrophobicContact CD-CG 4Å; K858-F867 HydrophobicContact CD-CZ 4.19Å; K858-F867 HydrophobicContact CG-CD1 3.91Å; K858-F867 HydrophobicContact CG-CE1 4.19Å; K858-F867 HydrophobicContact CG-CG 4.43Å; I859-F867 CarbonylContact O-C 3.54Å; I859-F867 WeakPolarHBondContact O-CA 3.3Å; W860-F867 HydrophobicContact CB-CD1 4.22Å; W860-F867 HydrophobicContact CB-CE1 4.03Å; W860-F867 HydrophobicContact CD2-CE1 4.48Å; W860-F867 AromaticContact CE3-CD1 3.83Å; W860-F867 HydrophobicContact CE3-CD1 3.83Å; W860-F867 HydrophobicContact CE3-CD2 4.2Å; W860-F867 AromaticContact CE3-CE1 3.72Å; W860-F867 HydrophobicContact CE3-CE1 3.72Å; W860-F867 HydrophobicContact CE3-CE2 4.12Å; W860-F867 HydrophobicContact CE3-CG 4.06Å; W860-F867 AromaticContact CE3-CZ 3.87Å; W860-F867 HydrophobicContact CE3-CZ 3.87Å; W860-F867 HydrophobicContact CZ3-CD2 4.29Å; W860-F867 HydrophobicContact CZ3-CE2 4.23Å; W860-F867 HydrophobicContact CZ3-CZ 4.37Å |
| 868 | V | 89.1 | Confident | 88.7 | Confident | 45 Ų | 45 | 34 Ų | 34 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.4 | 161.7 | -178 | 0 | 0 | 0 | 0 | 107.1 | R833 K858 I859 N861 | R833-V868 VanDerWaalsContact O-CA 3.3Å; R833-V868 WeakPolarHBondContact O-CA 3.48Å; K858-V868 WeakPolarHBondContact CA-O 3.41Å; I859-V868 PolarHBondContact N-O 3.33Å; I859-V868 PolarHBondContact O-N 3.35Å; N861-V868 HydrophobicContact CB-CG2 4.14Å |
| 869 | V | 88.8 | Confident | 89 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 149.6 | 178 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | V832 R833 I834 R835 Y855 Q857 K858 L872 | V832-V869 HydrophobicContact CG1-CB 4.02Å; V832-V869 HydrophobicContact CG1-CG1 3.47Å; V832-V869 VanDerWaalsContact CG1-CG1 3.47Å; V832-V869 HydrophobicContact CG1-CG2 3.36Å; V832-V869 HydrophobicContact CG2-CG1 4.41Å; R833-V869 PolarHBondContact O-N 2.88Å; I834-V869 HydrophobicContact CG1-CG2 4.09Å; R835-V869 PolarHBondContact N-O 3.22Å; Y855-V869 HydrophobicContact CD1-CG1 4.22Å; Y855-V869 HydrophobicContact CD2-CB 4.36Å; Y855-V869 HydrophobicContact CD2-CG1 3.92Å; Y855-V869 HydrophobicContact CE2-CG1 4.3Å; Y855-V869 HydrophobicContact CG-CB 4.14Å; Y855-V869 HydrophobicContact CG-CG1 3.89Å; Q857-V869 WeakPolarHBondContact O-CA 3.26Å; K858-V869 HydrophobicContact CB-CG1 3.9Å; V869-L872 HydrophobicContact CG2-CD1 4.25Å |
| 870 | D | 85.5 | Confident | 89.2 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149 | 176 | -155 | 2.6 | 0 | 0 | 0 | 110.9 | R835 Y856 Q857 | R835-D870 IonicContact CZ-OD2 2.85Å; R835-D870 IonicContact NH1-OD2 2.64Å; R835-D870 PolarHBondContact NH1-OD2 2.65Å; Y856-D870 PolarHBondContact N-O 3.37Å; Q857-D870 HydrophobicContact CG-CB 3.68Å; Q857-D870 PolarHBondContact NE2-OD2 3.47Å; Q857-D870 PolarHBondContact O-N 3.31Å |
| 871 | G | 86.7 | Confident | 89.5 | Confident | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 68.5 | 42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y679 H711 | Y679-G871 WeakPolarHBondContact OH-CA 3.49Å; H711-G871 PolarHBondContact CE1-O 2.91Å |
| 872 | L | 88.7 | Confident | 90 | Very high | 18 Ų | 18 | 25 Ų | 25 | 9% | 0.094 | 12% | 0.122 | C | C | . | . | trans | -70.4 | 132 | -178.2 | -165.7 | 78.5 | 0 | 0 | 0 | 112 | Y710 I834 F841 F853 L854 V869 | Y710-L872 WeakPolarHBondContact CB-O 3.43Å; Y710-L872 PolarHBondContact N-O 2.82Å; Y710-L872 VanDerWaalsContact N-O 3.14Å; I834-L872 HydrophobicContact CD1-CD2 3.55Å; I834-L872 HydrophobicContact CG1-CD2 3.96Å; F841-L872 HydrophobicContact CD1-CD2 4.22Å; F841-L872 HydrophobicContact CE1-CD2 3.92Å; F853-L872 HydrophobicContact CB-CD1 3.57Å; F853-L872 HydrophobicContact CB-CG 4.04Å; F853-L872 HydrophobicContact CD1-CD1 4.21Å; F853-L872 HydrophobicContact CD1-CD2 3.82Å; F853-L872 HydrophobicContact CD1-CG 3.75Å; F853-L872 HydrophobicContact CE1-CD2 4.31Å; F853-L872 HydrophobicContact CG-CD1 4.03Å; F853-L872 HydrophobicContact CG-CD2 4.23Å; F853-L872 HydrophobicContact CG-CG 4.1Å; L854-L872 CarbonylContact O-C 3.43Å; L854-L872 VanDerWaalsContact O-CA 3.26Å; L854-L872 WeakPolarHBondContact O-CA 3.39Å; V869-L872 HydrophobicContact CG2-CD1 4.25Å | ||
| 873 | S | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 127.4 | 175 | -69.4 | 0 | 0 | 0 | 0 | 113.7 | S709 Y710 H711 F853 L854 I875 | S709-S873 WeakPolarHBondContact CA-OG 3.39Å; S709-S873 VanDerWaalsContact OG-CB 3.26Å; S709-S873 WeakPolarHBondContact OG-CB 3.36Å; S709-S873 PolarHBondContact OG-OG 2.92Å; Y710-S873 PolarHBondContact N-OG 2.9Å; Y710-S873 VanDerWaalsContact N-OG 3.08Å; H711-S873 WeakPolarHBondContact CD2-CB 3.47Å; H711-S873 PolarHBondContact CD2-OG 2.78Å; H711-S873 VanDerWaalsContact CG-OG 3.24Å; H711-S873 PolarHBondContact N-OG 3.26Å; H711-S873 WeakPolarHBondContact NE2-CB 3.45Å; H711-S873 PolarHBondContact NE2-OG 3.14Å; H711-S873 VanDerWaalsContact NE2-OG 3.1Å; F853-S873 CarbonylContact C-O 3.56Å; F853-S873 VanDerWaalsContact CA-O 3.24Å; F853-S873 WeakPolarHBondContact CA-O 3.35Å; L854-S873 PolarHBondContact N-O 3.28Å; L854-S873 PolarHBondContact O-N 3.22Å; S873-I875 PolarHBondContact O-N 3.04Å |
| 874 | M | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.8 | 175.2 | -162.8 | -178.9 | -68 | 0 | 0 | 110.6 | Y708 K792 F841 W848 W849 S850 W852 F853 | Y708-M874 HydrophobicContact CD2-CE 3.71Å; Y708-M874 HydrophobicContact CD2-SD 4.17Å; Y708-M874 HydrophobicContact CG-CE 3.99Å; Y708-M874 PolarHBondContact O-N 2.95Å; K792-M874 WeakPolarHBondContact CE-O 3.3Å; K792-M874 PolarHBondContact NZ-O 2.92Å; F841-M874 HydrophobicContact CE2-CE 3.55Å; F841-M874 HydrophobicContact CZ-CE 3.53Å; W848-M874 HydrophobicContact CB-CE 3.74Å; W848-M874 HydrophobicContact CB-SD 4.42Å; W848-M874 VanDerWaalsContact CD1-CE 3.45Å; W848-M874 HydrophobicContact CD2-CE 3.95Å; W848-M874 HydrophobicContact CG-CE 3.45Å; W848-M874 VanDerWaalsContact CG-CE 3.45Å; W849-M874 HydrophobicContact CD2-CG 4.4Å; W849-M874 HydrophobicContact CD2-SD 3.61Å; W849-M874 HydrophobicContact CE3-CG 4.44Å; W849-M874 HydrophobicContact CE3-SD 4.11Å; W849-M874 HydrophobicContact CG-SD 3.98Å; W849-M874 HydrophobicContact CH2-CB 4.11Å; W849-M874 HydrophobicContact CH2-CG 3.83Å; W849-M874 WeakPolarHBondContact CH2-O 3.5Å; W849-M874 HydrophobicContact CH2-SD 4.26Å; W849-M874 HydrophobicContact CZ2-CB 3.84Å; W849-M874 HydrophobicContact CZ2-CG 3.76Å; W849-M874 HydrophobicContact CZ2-SD 3.77Å; W849-M874 HydrophobicContact CZ3-CG 4.17Å; W849-M874 HydrophobicContact CZ3-SD 4.41Å; S850-M874 PolarHBondContact N-SD 3.11Å; W852-M874 WeakPolarHBondContact O-CA 3.41Å; F853-M874 HydrophobicContact CD1-CB 4.02Å; F853-M874 HydrophobicContact CD1-CG 4.46Å; F853-M874 HydrophobicContact CE1-CB 3.6Å; F853-M874 HydrophobicContact CE1-CE 3.87Å; F853-M874 HydrophobicContact CE1-CG 3.84Å; F853-M874 HydrophobicContact CZ-CB 4.36Å; F853-M874 HydrophobicContact CZ-CE 3.73Å; F853-M874 HydrophobicContact CZ-CG 4.1Å |
| 875 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157.6 | 178.9 | 50.9 | 157.2 | 0 | 0 | 0 | 110.3 | K792 V803 S850 W852 L854 S873 V879 A880 | K792-I875 HydrophobicContact CB-CG2 4.03Å; K792-I875 HydrophobicContact CD-CG2 3.89Å; K792-I875 HydrophobicContact CG-CG2 4.38Å; V803-I875 HydrophobicContact CG1-CD1 4.5Å; S850-I875 WeakPolarHBondContact CB-O 3.23Å; S850-I875 PolarHBondContact OG-O 3.26Å; W852-I875 HydrophobicContact CB-CD1 4.49Å; W852-I875 HydrophobicContact CB-CG1 4.04Å; W852-I875 PolarHBondContact O-N 3.37Å; L854-I875 HydrophobicContact CD1-CG2 3.66Å; L854-I875 HydrophobicContact CD2-CD1 3.84Å; L854-I875 HydrophobicContact CG-CD1 3.79Å; L854-I875 HydrophobicContact CG-CG1 4.19Å; L854-I875 HydrophobicContact CG-CG2 3.76Å; S873-I875 PolarHBondContact O-N 3.04Å; I875-V879 HydrophobicContact CB-CB 4.1Å; I875-V879 HydrophobicContact CB-CG1 4.25Å; I875-V879 HydrophobicContact CD1-CB 4.17Å; I875-V879 HydrophobicContact CD1-CG1 4.09Å; I875-V879 HydrophobicContact CG2-CB 4.48Å; I875-V879 HydrophobicContact CG2-CG1 4.14Å; I875-A880 HydrophobicContact CD1-CB 3.87Å |
| 876 | S | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | trans | -63.1 | 145 | 164.3 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | I878 V879 V968 L970 | S876-I878 PolarHBondContact O-N 2.95Å; S876-I878 VanDerWaalsContact O-N 3.11Å; S876-I878 WeakPolarHBondContact OG-CB 3.32Å; S876-I878 PolarHBondContact OG-N 3.11Å; S876-I878 VanDerWaalsContact OG-N 3.13Å; S876-V879 WeakPolarHBondContact O-CB 3.3Å; S876-V879 PolarHBondContact O-N 3.31Å; S876-V968 WeakPolarHBondContact CB-O 3.38Å; S876-L970 VanDerWaalsContact CB-O 3.3Å; S876-L970 WeakPolarHBondContact CB-O 3.35Å; S876-L970 PolarHBondContact OG-O 3.42Å | ||
| 877 | P | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.1 | -24.9 | 168.3 | 26.2 | -37.6 | 0 | 0 | 0 | 112.6 | V119 W852 V879 A880 L881 L912 Q972 | V119-P877 HydrophobicContact CG2-CG 3.61Å; W852-P877 HydrophobicContact CD2-CB 4Å; W852-P877 HydrophobicContact CG-CB 3.98Å; W852-P877 HydrophobicContact CZ2-CB 4.44Å; P877-V879 VanDerWaalsContact C-N 3.35Å; P877-A880 PolarHBondContact O-N 3.02Å; P877-L881 WeakPolarHBondContact O-CB 3.35Å; P877-L881 PolarHBondContact O-N 3.35Å; P877-L912 HydrophobicContact CB-CD1 3.82Å; P877-L912 HydrophobicContact CB-CD2 4.29Å; P877-L912 HydrophobicContact CG-CD1 3.75Å; P877-Q972 HydrophobicContact CG-CB 4.35Å |
| 878 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 175.6 | -58.6 | -61.9 | 0 | 0 | 0 | 111.5 | V119 S876 L881 L882 L912 L923 V967 L970 | V119-I878 HydrophobicContact CB-CD1 4.47Å; V119-I878 HydrophobicContact CG1-CD1 4.01Å; V119-I878 HydrophobicContact CG1-CG1 4.03Å; S876-I878 PolarHBondContact O-N 2.95Å; S876-I878 VanDerWaalsContact O-N 3.11Å; S876-I878 WeakPolarHBondContact OG-CB 3.32Å; S876-I878 PolarHBondContact OG-N 3.11Å; S876-I878 VanDerWaalsContact OG-N 3.13Å; I878-L881 HydrophobicContact CD1-CD2 4.35Å; I878-L881 PolarHBondContact O-N 2.86Å; I878-L882 HydrophobicContact CG2-CD1 3.69Å; I878-L882 HydrophobicContact CG2-CG 3.96Å; I878-L882 WeakPolarHBondContact O-CB 3.45Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.32Å; I878-L882 PolarHBondContact O-N 2.63Å; I878-L912 HydrophobicContact CD1-CD2 3.91Å; I878-L923 HydrophobicContact CD1-CD1 3.98Å; I878-L923 HydrophobicContact CD1-CD2 4.06Å; I878-L923 HydrophobicContact CG2-CD2 4.3Å; I878-V967 HydrophobicContact CG2-CG1 3.55Å; I878-L970 HydrophobicContact CG1-CB 4.42Å |
| 879 | V | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | A793 A796 I875 S876 P877 L882 F883 V968 | A793-V879 HydrophobicContact CB-CG1 4.45Å; A796-V879 HydrophobicContact CB-CG1 3.7Å; I875-V879 HydrophobicContact CB-CB 4.1Å; I875-V879 HydrophobicContact CB-CG1 4.25Å; I875-V879 HydrophobicContact CD1-CB 4.17Å; I875-V879 HydrophobicContact CD1-CG1 4.09Å; I875-V879 HydrophobicContact CG2-CB 4.48Å; I875-V879 HydrophobicContact CG2-CG1 4.14Å; S876-V879 WeakPolarHBondContact O-CB 3.3Å; S876-V879 PolarHBondContact O-N 3.31Å; P877-V879 VanDerWaalsContact C-N 3.35Å; V879-L882 PolarHBondContact O-N 3.45Å; V879-F883 WeakPolarHBondContact O-CB 3.06Å; V879-F883 PolarHBondContact O-N 2.68Å; V879-V968 HydrophobicContact CG2-CB 3.69Å; V879-V968 HydrophobicContact CG2-CG1 3.99Å |
| 880 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V803 W852 I875 P877 L882 S884 L904 | V803-A880 HydrophobicContact CG1-CB 4.02Å; W852-A880 HydrophobicContact CE3-CB 3.56Å; W852-A880 HydrophobicContact CZ3-CB 3.73Å; I875-A880 HydrophobicContact CD1-CB 3.87Å; P877-A880 PolarHBondContact O-N 3.02Å; A880-L882 PolarHBondContact O-N 3.13Å; A880-S884 WeakPolarHBondContact O-CB 3.48Å; A880-S884 PolarHBondContact O-N 3.14Å; A880-S884 PolarHBondContact O-OG 3.24Å; A880-L904 HydrophobicContact CB-CD2 4.45Å; A880-L904 WeakPolarHBondContact O-CD2 3.5Å |
| 881 | L | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56 | -46.4 | 177.3 | -173.1 | 76.4 | 0 | 0 | 0 | 112.7 | P877 I878 P888 L902 L904 L912 L923 R927 | P877-L881 WeakPolarHBondContact O-CB 3.35Å; P877-L881 PolarHBondContact O-N 3.35Å; I878-L881 HydrophobicContact CD1-CD2 4.35Å; I878-L881 PolarHBondContact O-N 2.86Å; L881-P888 HydrophobicContact CD1-CB 3.73Å; L881-L902 HydrophobicContact CD1-CB 4.2Å; L881-L902 HydrophobicContact CD1-CD1 4.02Å; L881-L902 HydrophobicContact CD2-CD1 3.82Å; L881-L904 HydrophobicContact CB-CD1 4.41Å; L881-L904 HydrophobicContact CD1-CD1 3.9Å; L881-L904 HydrophobicContact CD1-CG 4.27Å; L881-L912 HydrophobicContact CD2-CD2 4.32Å; L881-L923 HydrophobicContact CD2-CB 3.8Å; L881-L923 HydrophobicContact CD2-CD1 3.66Å; L881-L923 HydrophobicContact CD2-CD2 4.23Å; L881-L923 HydrophobicContact CD2-CG 4.12Å; L881-R927 WeakPolarHBondContact O-CD 3.37Å; L881-R927 PolarHBondContact O-NH1 2.97Å |
| 882 | L | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -83.5 | -31.6 | -173.4 | -65.2 | -178 | 0 | 0 | 0 | 113 | I878 V879 A880 L923 F926 R927 L930 H931 L964 V967 | I878-L882 HydrophobicContact CG2-CD1 3.69Å; I878-L882 HydrophobicContact CG2-CG 3.96Å; I878-L882 WeakPolarHBondContact O-CB 3.45Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.32Å; I878-L882 PolarHBondContact O-N 2.63Å; V879-L882 PolarHBondContact O-N 3.45Å; A880-L882 PolarHBondContact O-N 3.13Å; L882-L923 HydrophobicContact CD2-CD2 4.48Å; L882-L923 WeakPolarHBondContact CD2-O 3.06Å; L882-F926 HydrophobicContact CD1-CD1 4Å; L882-F926 HydrophobicContact CD1-CE1 4.22Å; L882-F926 HydrophobicContact CD2-CD1 4.33Å; L882-R927 HydrophobicContact CD2-CB 3.77Å; L882-R927 PolarHBondContact O-NH1 3.46Å; L882-L930 HydrophobicContact CD1-CD1 4.19Å; L882-H931 PolarHBondContact O-NE2 2.8Å; L882-L964 HydrophobicContact CD1-CD1 4.4Å; L882-V967 HydrophobicContact CD1-CG1 3.9Å |
| 883 | F | 96.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -125.9 | -17.3 | -165.5 | -62.1 | -65 | 0 | 0 | 0 | 116.1 | F666 A793 A796 S797 V879 L930 L964 V968 | F666-F883 HydrophobicContact CE2-CD1 4.49Å; F666-F883 AromaticContact CE2-CE1 3.92Å; F666-F883 HydrophobicContact CE2-CE1 3.92Å; F666-F883 AromaticContact CE2-CZ 3.91Å; F666-F883 HydrophobicContact CE2-CZ 3.91Å; F666-F883 HydrophobicContact CZ-CD1 4.28Å; F666-F883 AromaticContact CZ-CE1 3.44Å; F666-F883 HydrophobicContact CZ-CE1 3.44Å; F666-F883 VanDerWaalsContact CZ-CE1 3.44Å; F666-F883 AromaticContact CZ-CZ 3.63Å; F666-F883 HydrophobicContact CZ-CZ 3.63Å; A793-F883 HydrophobicContact CB-CD2 3.54Å; A793-F883 HydrophobicContact CB-CE2 3.49Å; A793-F883 VanDerWaalsContact CB-CE2 3.49Å; A793-F883 HydrophobicContact CB-CG 4.33Å; A793-F883 HydrophobicContact CB-CZ 4.24Å; A796-F883 HydrophobicContact CB-CB 3.83Å; S797-F883 WeakPolarHBondContact CA-O 3.24Å; S797-F883 VanDerWaalsContact OG-CD1 3.23Å; S797-F883 WeakPolarHBondContact OG-CD1 3.44Å; V879-F883 WeakPolarHBondContact O-CB 3.06Å; V879-F883 PolarHBondContact O-N 2.68Å; F883-L930 HydrophobicContact CE1-CB 4.39Å; F883-L930 HydrophobicContact CE1-CD1 4.07Å; F883-L930 HydrophobicContact CZ-CD1 3.73Å; F883-L964 HydrophobicContact CE2-CD1 3.89Å; F883-L964 HydrophobicContact CZ-CD1 3.7Å; F883-L964 HydrophobicContact CZ-CD2 4.26Å; F883-V968 HydrophobicContact CE2-CG1 4.07Å |
| 884 | S | 93.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -66.9 | 158.8 | 175 | 74 | 0 | 0 | 0 | 0 | 111.4 | F800 A880 L886 L904 R927 | F800-S884 WeakPolarHBondContact O-CA 3.45Å; F800-S884 WeakPolarHBondContact O-CB 3.37Å; A880-S884 WeakPolarHBondContact O-CB 3.48Å; A880-S884 PolarHBondContact O-N 3.14Å; A880-S884 PolarHBondContact O-OG 3.24Å; S884-L886 PolarHBondContact O-N 3.22Å; S884-L886 PolarHBondContact OG-N 2.83Å; S884-L904 WeakPolarHBondContact OG-CD2 3.44Å; S884-R927 PolarHBondContact O-NH1 3.32Å; S884-R927 PolarHBondContact O-NH2 2.85Å |
| 885 | G | 90.4 | Very high | 87.4 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -67 | -11.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F800 K887 | F800-G885 VanDerWaalsContact CE2-CA 3.42Å; F800-G885 PolarHBondContact O-N 3.48Å; G885-K887 PolarHBondContact O-N 3.42Å |
| 886 | L | 90.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.2 | 119.4 | -177.9 | -60.3 | 172.4 | 0 | 0 | 0 | 110.3 | E801 V803 C827 S884 P888 L904 F910 | E801-L886 HydrophobicContact CB-CD2 4.32Å; E801-L886 HydrophobicContact CG-CD2 3.76Å; E801-L886 HydrophobicContact CG-CG 4.31Å; V803-L886 HydrophobicContact CB-CD1 4.49Å; V803-L886 HydrophobicContact CG2-CD1 4.45Å; C827-L886 HydrophobicContact CB-CD2 4.36Å; S884-L886 PolarHBondContact O-N 3.22Å; S884-L886 PolarHBondContact OG-N 2.83Å; L886-P888 VanDerWaalsContact O-CD 3.29Å; L886-P888 WeakPolarHBondContact O-CD 3.23Å; L886-L904 HydrophobicContact CB-CB 4.11Å; L886-L904 HydrophobicContact CB-CD2 3.92Å; L886-L904 HydrophobicContact CD1-CB 4.3Å; L886-L904 HydrophobicContact CD1-CD2 4.45Å; L886-F910 HydrophobicContact CD1-CD1 4.11Å; L886-F910 HydrophobicContact CD1-CE1 4.25Å |
| 887 | K | 90.6 | Very high | 83.9 | Confident | 164 Ų | 164 | 57.8 Ų | 57.8 | 71% | 0.713 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 121.3 | 178.2 | -172.3 | 175.5 | -178.6 | 176.7 | 0 | 110.6 | G885 G905 | G885-K887 PolarHBondContact O-N 3.42Å; K887-G905 PolarHBondContact O-N 2.77Å |
| 888 | P | 93.4 | Very high | 82.7 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 142.8 | 176.5 | 32.6 | -35.2 | 0 | 0 | 0 | 111.8 | L881 L886 Q903 L924 | L881-P888 HydrophobicContact CD1-CB 3.73Å; L886-P888 VanDerWaalsContact O-CD 3.29Å; L886-P888 WeakPolarHBondContact O-CD 3.23Å; P888-Q903 CarbonylContact C-O 3.48Å; P888-Q903 WeakPolarHBondContact CA-O 3.45Å; P888-L924 HydrophobicContact CB-CD2 3.75Å; P888-L924 HydrophobicContact CG-CD2 3.38Å |
| 889 | T | 92.3 | Very high | 81.8 | Confident | 63 Ų | 63 | 66 Ų | 66 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141 | 175.8 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | Q903 | T889-Q903 PolarHBondContact N-O 3.11Å; T889-Q903 PolarHBondContact O-N 3.01Å; T889-Q903 PolarHBondContact OG1-O 2.89Å |
| 890 | I | 92.2 | Very high | 81.5 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.2 | 173.2 | -62.5 | 170.2 | 0 | 0 | 0 | 109 | V900 L902 L917 A920 E921 L924 | I890-V900 HydrophobicContact CG2-CG1 3.56Å; I890-L902 HydrophobicContact CG1-CD2 3.68Å; I890-L917 HydrophobicContact CD1-CD1 4.01Å; I890-L917 HydrophobicContact CG2-CD1 4.3Å; I890-A920 HydrophobicContact CD1-CB 3.99Å; I890-A920 HydrophobicContact CG1-CB 4.22Å; I890-E921 HydrophobicContact CD1-CG 4.38Å; I890-L924 HydrophobicContact CD1-CD1 3.85Å; I890-L924 HydrophobicContact CG1-CD1 3.99Å |
| 891 | I | 87.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.2 | 175.5 | -52 | -175.9 | 0 | 0 | 0 | 108.5 | E893 I901 Q903 | I891-E893 HydrophobicContact CG2-CG 3.58Å; I891-I901 PolarHBondContact N-O 2.93Å; I891-Q903 HydrophobicContact CD1-CB 3.45Å; I891-Q903 VanDerWaalsContact CD1-CB 3.45Å; I891-Q903 HydrophobicContact CD1-CG 4.09Å; I891-Q903 HydrophobicContact CG1-CB 4.09Å |
| 892 | N | 73.5 | Confident | 81.2 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | trans | -98.8 | 102.8 | 170.8 | -69.1 | -10.1 | 0 | 0 | 0 | 108.3 | ||||
| 893 | E | 64.5 | Low | 81 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | trans | -90.4 | -17.5 | -177.9 | -65.2 | -165.1 | 150.5 | 0 | 0 | 113.3 | I891 I901 R911 | I891-E893 HydrophobicContact CG2-CG 3.58Å; E893-I901 HydrophobicContact CB-CD1 4.43Å; E893-I901 HydrophobicContact CG-CD1 4.15Å; E893-I901 WeakPolarHBondContact OE2-CD1 3.31Å; E893-R911 IonicContact OE1-CZ 3.57Å; E893-R911 IonicContact OE1-NH1 3.67Å; E893-R911 PolarHBondContact OE1-NH1 2.99Å; E893-R911 IonicContact OE1-NH2 3.19Å; E893-R911 PolarHBondContact OE1-NH2 2.93Å; E893-R911 IonicContact OE2-NH1 3.32Å; E893-R911 PolarHBondContact OE2-NH1 3.18Å | ||
| 894 | S | 56.9 | Low | 80.7 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | trans | -152.3 | 152.2 | 177.5 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | E897 | S894-E897 PolarHBondContact OG-N 2.92Š| ||
| 895 | F | 56.9 | Low | 80.3 | Confident | 223 Ų | 223 | 69.2 Ų | 69.2 | 98% | 0.978 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -85.1 | -14.5 | 169.6 | -74.4 | -85.1 | 0 | 0 | 0 | 112.5 | ||
| 896 | E | 54.9 | Low | 79.6 | Confident | 192 Ų | 192 | 73 Ų | 73 | 90% | 0.897 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -94.2 | -21.7 | -170.2 | -65.9 | -174.7 | 168.7 | 0 | 0 | 113.8 | ||
| 897 | E | 58 | Low | 78.9 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 58% | 0.584 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -111 | 131.6 | 176.3 | -64.5 | -176.6 | 179 | 0 | 0 | 110.6 | S894 H899 | S894-E897 PolarHBondContact OG-N 2.92Å; E897-H899 PolarHBondContact O-N 3.34Å |
| 898 | P | 68.1 | Low | 78.2 | Confident | 105 Ų | 105 | 72.5 Ų | 72.5 | 68% | 0.682 | 38% | 0.38 | S | S | * | . | trans | -74.7 | 7.5 | -176.4 | 31.1 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 899 | H | 76.6 | Confident | 77.5 | Confident | 69 Ų | 69 | 72.5 Ų | 72.5 | 32% | 0.319 | 38% | 0.379 | S | S | . | . | trans | -89 | 141.1 | -172 | -59.2 | -50.8 | 0 | 0 | 0 | 112.3 | E897 Q913 D915 | E897-H899 PolarHBondContact O-N 3.34Å; H899-Q913 HydrophobicContact CB-CG 3.99Å; H899-Q913 PolarHBondContact CD2-NE2 3.48Å; H899-D915 IonicContact CE1-OD1 3.66Å; H899-D915 IonicContact ND1-OD1 3.6Å | ||
| 900 | V | 88.9 | Confident | 77.3 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.8 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | I890 Q913 V914 L917 A920 | I890-V900 HydrophobicContact CG2-CG1 3.56Å; V900-Q913 WeakPolarHBondContact O-CA 3.36Å; V900-V914 HydrophobicContact CB-CG2 4.01Å; V900-V914 HydrophobicContact CG1-CG2 4.45Å; V900-V914 PolarHBondContact N-O 3.16Å; V900-V914 PolarHBondContact O-N 2.98Å; V900-L917 HydrophobicContact CG1-CD1 4.45Å; V900-L917 HydrophobicContact CG2-CB 4.12Å; V900-A920 HydrophobicContact CG1-CB 3.85Å |
| 901 | I | 90.8 | Very high | 77.2 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124 | -179.4 | -60 | 172.7 | 0 | 0 | 0 | 109.4 | P116 I891 E893 R911 L912 | P116-I901 HydrophobicContact CG-CD1 4.08Å; P116-I901 HydrophobicContact CG-CG1 4.35Å; P116-I901 HydrophobicContact CG-CG2 4.28Å; I891-I901 PolarHBondContact N-O 2.93Å; E893-I901 HydrophobicContact CB-CD1 4.43Å; E893-I901 HydrophobicContact CG-CD1 4.15Å; E893-I901 WeakPolarHBondContact OE2-CD1 3.31Å; I901-R911 HydrophobicContact CG2-CB 3.91Å; I901-R911 HydrophobicContact CG2-CG 4Å; I901-L912 WeakPolarHBondContact CA-O 3.37Å |
| 902 | L | 92.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.1 | 166.5 | -71.8 | 166.7 | 0 | 0 | 0 | 108.8 | L881 I890 R911 L912 V914 A920 L923 L924 | L881-L902 HydrophobicContact CD1-CB 4.2Å; L881-L902 HydrophobicContact CD1-CD1 4.02Å; L881-L902 HydrophobicContact CD2-CD1 3.82Å; I890-L902 HydrophobicContact CG1-CD2 3.68Å; L902-R911 CarbonylContact O-C 3.56Å; L902-R911 WeakPolarHBondContact O-CA 3.37Å; L902-L912 HydrophobicContact CB-CB 4.41Å; L902-L912 PolarHBondContact N-O 3.21Å; L902-L912 PolarHBondContact O-N 3.36Å; L902-V914 HydrophobicContact CD1-CG1 4.22Å; L902-A920 HydrophobicContact CD1-CB 4.33Å; L902-A920 HydrophobicContact CD2-CB 4.13Å; L902-A920 HydrophobicContact CG-CB 4.24Å; L902-L923 HydrophobicContact CD1-CD1 4.08Å; L902-L924 HydrophobicContact CD2-CD1 4.37Å; L902-L924 HydrophobicContact CD2-CD2 4.39Å; L902-L924 HydrophobicContact CD2-CG 4.4Å |
| 903 | Q | 91.9 | Very high | 78.2 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.5 | 172.2 | -173 | 175.8 | -64.4 | 0 | 0 | 110 | P888 T889 I891 G905 F910 R911 | P888-Q903 CarbonylContact C-O 3.48Å; P888-Q903 WeakPolarHBondContact CA-O 3.45Å; T889-Q903 PolarHBondContact N-O 3.11Å; T889-Q903 PolarHBondContact O-N 3.01Å; T889-Q903 PolarHBondContact OG1-O 2.89Å; I891-Q903 HydrophobicContact CD1-CB 3.45Å; I891-Q903 VanDerWaalsContact CD1-CB 3.45Å; I891-Q903 HydrophobicContact CD1-CG 4.09Å; I891-Q903 HydrophobicContact CG1-CB 4.09Å; Q903-G905 PolarHBondContact NE2-O 3.48Å; Q903-F910 WeakPolarHBondContact CA-O 3.5Å; Q903-R911 HydrophobicContact CB-CG 4.23Å; Q903-R911 HydrophobicContact CG-CG 4.1Å; Q903-R911 VanDerWaalsContact OE1-NE 3.15Å |
| 904 | L | 90.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.1 | 173.1 | -82.3 | 111.3 | 0 | 0 | 0 | 110.3 | W852 A880 L881 S884 L886 F910 | W852-L904 HydrophobicContact CH2-CD1 3.64Å; W852-L904 HydrophobicContact CZ3-CD1 3.95Å; A880-L904 HydrophobicContact CB-CD2 4.45Å; A880-L904 WeakPolarHBondContact O-CD2 3.5Å; L881-L904 HydrophobicContact CB-CD1 4.41Å; L881-L904 HydrophobicContact CD1-CD1 3.9Å; L881-L904 HydrophobicContact CD1-CG 4.27Å; S884-L904 WeakPolarHBondContact OG-CD2 3.44Å; L886-L904 HydrophobicContact CB-CB 4.11Å; L886-L904 HydrophobicContact CB-CD2 3.92Å; L886-L904 HydrophobicContact CD1-CB 4.3Å; L886-L904 HydrophobicContact CD1-CD2 4.45Å; L904-F910 HydrophobicContact CB-CB 4.16Å; L904-F910 PolarHBondContact N-O 3.19Å; L904-F910 WeakPolarHBondContact O-CB 3.09Å |
| 905 | G | 84.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 56 Ų | 56 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 68.4 | -157.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K887 Q903 | K887-G905 PolarHBondContact O-N 2.77Å; Q903-G905 PolarHBondContact NE2-O 3.48Å |
| 906 | S | 76.1 | Confident | 82.7 | Confident | 102 Ų | 102 | 48.1 Ų | 48.1 | 71% | 0.713 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -86.2 | -17.1 | -173.6 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 907 | A | 75.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | trans | -82.1 | 125.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C827 H909 F910 | C827-A907 WeakPolarHBondContact O-CB 3.49Å; A907-H909 PolarHBondContact O-N 2.92Å; A907-F910 HydrophobicContact CB-CD2 3.91Å; A907-F910 PolarHBondContact O-N 3.02Å; A907-F910 VanDerWaalsContact O-N 3.14Å | ||
| 908 | K | 75.7 | Confident | 85.9 | Confident | 151 Ų | 151 | 41.3 Ų | 41.3 | 66% | 0.657 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.7 | 179.2 | -65.7 | -174 | 177.4 | -174.8 | 0 | 115 | R911 | K908-R911 WeakPolarHBondContact O-CD 3.48Å; K908-R911 VanDerWaalsContact O-CG 3.29Å; K908-R911 WeakPolarHBondContact O-CG 3.33Å; K908-R911 PolarHBondContact O-NE 3.22Å; K908-R911 VanDerWaalsContact O-NE 3.12Å |
| 909 | H | 79.9 | Confident | 87.1 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -13.7 | -177.6 | 63.1 | -76.3 | 0 | 0 | 0 | 113.2 | K805 R825 E826 S829 A907 R911 | K805-H909 WeakPolarHBondContact CD-O 3.3Å; K805-H909 PolarHBondContact NZ-O 3.46Å; R825-H909 WeakPolarHBondContact CB-NE2 3.46Å; E826-H909 PolarHBondContact O-CE1 3.33Å; E826-H909 PolarHBondContact O-NE2 2.88Å; S829-H909 PolarHBondContact OG-CE1 3.46Å; S829-H909 PolarHBondContact OG-ND1 2.67Å; A907-H909 PolarHBondContact O-N 2.92Å; H909-R911 VanDerWaalsContact C-N 3.26Å; H909-R911 PolarHBondContact O-N 3.28Å; H909-R911 VanDerWaalsContact O-N 3.13Å |
| 910 | F | 87.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -87.8 | 60.8 | 176 | -83.3 | -99 | 0 | 0 | 0 | 110.9 | V803 K805 C827 W852 L886 Q903 L904 A907 | V803-F910 HydrophobicContact CB-CE1 3.91Å; V803-F910 HydrophobicContact CB-CZ 4.49Å; V803-F910 HydrophobicContact CG1-CE1 3.7Å; V803-F910 WeakPolarHBondContact O-CZ 3.23Å; K805-F910 HydrophobicContact CB-CZ 4.48Å; C827-F910 HydrophobicContact CB-CE2 4.42Å; W852-F910 HydrophobicContact CE3-CD1 4.12Å; W852-F910 HydrophobicContact CE3-CE1 4.2Å; W852-F910 HydrophobicContact CH2-CB 3.98Å; W852-F910 AromaticContact CH2-CD1 3.54Å; W852-F910 HydrophobicContact CH2-CD1 3.54Å; W852-F910 HydrophobicContact CH2-CE1 4.39Å; W852-F910 HydrophobicContact CH2-CG 4.13Å; W852-F910 AromaticContact CZ3-CD1 3.29Å; W852-F910 HydrophobicContact CZ3-CD1 3.29Å; W852-F910 AromaticContact CZ3-CE1 3.78Å; W852-F910 HydrophobicContact CZ3-CE1 3.78Å; W852-F910 HydrophobicContact CZ3-CG 4.3Å; L886-F910 HydrophobicContact CD1-CD1 4.11Å; L886-F910 HydrophobicContact CD1-CE1 4.25Å; Q903-F910 WeakPolarHBondContact CA-O 3.5Å; L904-F910 HydrophobicContact CB-CB 4.16Å; L904-F910 PolarHBondContact N-O 3.19Å; L904-F910 WeakPolarHBondContact O-CB 3.09Å; A907-F910 HydrophobicContact CB-CD2 3.91Å; A907-F910 PolarHBondContact O-N 3.02Å; A907-F910 VanDerWaalsContact O-N 3.14Å | ||
| 911 | R | 89.9 | Confident | 88.2 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 13% | 0.125 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.3 | -178.9 | -68.9 | 175 | 178.1 | -165.7 | -11.7 | 111.2 | P116 P117 E893 I901 L902 Q903 K908 H909 | P116-R911 HydrophobicContact CB-CB 3.78Å; P116-R911 HydrophobicContact CG-CB 3.75Å; P117-R911 WeakPolarHBondContact CD-O 3.49Å; E893-R911 IonicContact OE1-CZ 3.57Å; E893-R911 IonicContact OE1-NH1 3.67Å; E893-R911 PolarHBondContact OE1-NH1 2.99Å; E893-R911 IonicContact OE1-NH2 3.19Å; E893-R911 PolarHBondContact OE1-NH2 2.93Å; E893-R911 IonicContact OE2-NH1 3.32Å; E893-R911 PolarHBondContact OE2-NH1 3.18Å; I901-R911 HydrophobicContact CG2-CB 3.91Å; I901-R911 HydrophobicContact CG2-CG 4Å; L902-R911 CarbonylContact O-C 3.56Å; L902-R911 WeakPolarHBondContact O-CA 3.37Å; Q903-R911 HydrophobicContact CB-CG 4.23Å; Q903-R911 HydrophobicContact CG-CG 4.1Å; Q903-R911 VanDerWaalsContact OE1-NE 3.15Å; K908-R911 WeakPolarHBondContact O-CD 3.48Å; K908-R911 VanDerWaalsContact O-CG 3.29Å; K908-R911 WeakPolarHBondContact O-CG 3.33Å; K908-R911 PolarHBondContact O-NE 3.22Å; K908-R911 VanDerWaalsContact O-NE 3.12Å; H909-R911 VanDerWaalsContact C-N 3.26Å; H909-R911 PolarHBondContact O-N 3.28Å; H909-R911 VanDerWaalsContact O-N 3.13Å |
| 912 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.8 | 177.4 | 175 | 66.5 | 0 | 0 | 0 | 108.4 | P117 V119 P877 I878 L881 I901 L902 | P117-L912 WeakPolarHBondContact O-CD1 3.47Å; V119-L912 HydrophobicContact CB-CD1 4.01Å; V119-L912 HydrophobicContact CG2-CD1 3.64Å; P877-L912 HydrophobicContact CB-CD1 3.82Å; P877-L912 HydrophobicContact CB-CD2 4.29Å; P877-L912 HydrophobicContact CG-CD1 3.75Å; I878-L912 HydrophobicContact CD1-CD2 3.91Å; L881-L912 HydrophobicContact CD2-CD2 4.32Å; I901-L912 WeakPolarHBondContact CA-O 3.37Å; L902-L912 HydrophobicContact CB-CB 4.41Å; L902-L912 PolarHBondContact N-O 3.21Å; L902-L912 PolarHBondContact O-N 3.36Å |
| 913 | Q | 91.1 | Very high | 88.6 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.1 | 174.4 | 179.1 | -178 | -14.8 | 0 | 0 | 110.4 | P116 P117 K118 V119 H899 V900 | P116-Q913 HydrophobicContact CB-CB 4.13Å; P117-Q913 PolarHBondContact O-N 3.04Å; K118-Q913 CarbonylContact C-O 3.51Å; K118-Q913 VanDerWaalsContact CA-O 3.31Å; K118-Q913 WeakPolarHBondContact CA-O 3.46Å; K118-Q913 HydrophobicContact CB-CB 4.26Å; K118-Q913 HydrophobicContact CB-CG 4.44Å; K118-Q913 HydrophobicContact CG-CG 4.37Å; V119-Q913 PolarHBondContact N-O 2.78Å; H899-Q913 HydrophobicContact CB-CG 3.99Å; H899-Q913 PolarHBondContact CD2-NE2 3.48Å; V900-Q913 WeakPolarHBondContact O-CA 3.36Å |
| 914 | V | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 163.7 | 170.5 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | V900 L902 E919 A920 L923 | V900-V914 HydrophobicContact CB-CG2 4.01Å; V900-V914 HydrophobicContact CG1-CG2 4.45Å; V900-V914 PolarHBondContact N-O 3.16Å; V900-V914 PolarHBondContact O-N 2.98Å; L902-V914 HydrophobicContact CD1-CG1 4.22Å; V914-E919 HydrophobicContact CB-CB 4.22Å; V914-E919 HydrophobicContact CG2-CB 4.33Å; V914-A920 HydrophobicContact CG2-CB 3.86Å; V914-L923 HydrophobicContact CG1-CD1 4.16Å |
| 915 | D | 89.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -76.4 | -32.1 | -170.7 | -85.4 | -45.8 | 0 | 0 | 0 | 113.4 | K118 H899 E919 | K118-D915 WeakPolarHBondContact CE-OD1 3.4Å; K118-D915 WeakPolarHBondContact CE-OD2 3.34Å; K118-D915 IonicContact NZ-OD1 2.8Å; K118-D915 PolarHBondContact NZ-OD1 3.31Å; K118-D915 IonicContact NZ-OD2 3.65Å; K118-D915 PolarHBondContact NZ-OD2 3.37Å; H899-D915 IonicContact CE1-OD1 3.66Å; H899-D915 IonicContact ND1-OD1 3.6Å; D915-E919 WeakPolarHBondContact CB-OE2 3.29Å; D915-E919 PolarHBondContact N-OE2 2.98Å |
| 916 | T | 90.3 | Very high | 89.8 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | trans | -141.6 | 159.3 | -174.8 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | N918 E919 A920 | T916-N918 PolarHBondContact O-N 3.09Å; T916-E919 PolarHBondContact O-N 2.96Å; T916-E919 WeakPolarHBondContact OG1-CG 3.35Å; T916-E919 PolarHBondContact OG1-N 3.43Å; T916-E919 VanDerWaalsContact OG1-N 3.14Å; T916-A920 PolarHBondContact O-N 3.33Å | ||
| 917 | L | 90.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 38 Ų | 38 | 41% | 0.414 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.1 | -35.9 | 170.9 | -178.6 | 62 | 0 | 0 | 0 | 111.7 | I890 V900 E919 A920 E921 | I890-L917 HydrophobicContact CD1-CD1 4.01Å; I890-L917 HydrophobicContact CG2-CD1 4.3Å; V900-L917 HydrophobicContact CG1-CD1 4.45Å; V900-L917 HydrophobicContact CG2-CB 4.12Å; L917-E919 VanDerWaalsContact C-N 3.35Å; L917-E919 PolarHBondContact O-N 2.84Å; L917-A920 WeakPolarHBondContact O-CB 3.42Å; L917-A920 PolarHBondContact O-N 3.41Å; L917-E921 HydrophobicContact CD1-CG 4.32Å; L917-E921 HydrophobicContact CG-CG 4.37Å; L917-E921 WeakPolarHBondContact O-CG 3.31Å; L917-E921 PolarHBondContact O-N 3.37Å |
| 918 | N | 91.3 | Very high | 91.8 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.2 | -176 | 75.5 | 0 | 0 | 0 | 111.9 | T916 E921 L922 | T916-N918 PolarHBondContact O-N 3.09Å; N918-E921 PolarHBondContact O-N 3.16Å; N918-L922 WeakPolarHBondContact O-CB 3.14Å; N918-L922 PolarHBondContact O-N 2.67Å |
| 919 | E | 93 | Very high | 92.8 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 174.8 | -75.8 | 174.5 | -169.7 | 0 | 0 | 112.2 | I121 Q126 V914 D915 T916 L917 L922 L923 | I121-E919 HydrophobicContact CD1-CB 4.1Å; I121-E919 HydrophobicContact CD1-CG 4.23Å; Q126-E919 PolarHBondContact NE2-OE1 2.83Å; V914-E919 HydrophobicContact CB-CB 4.22Å; V914-E919 HydrophobicContact CG2-CB 4.33Å; D915-E919 WeakPolarHBondContact CB-OE2 3.29Å; D915-E919 PolarHBondContact N-OE2 2.98Å; T916-E919 PolarHBondContact O-N 2.96Å; T916-E919 WeakPolarHBondContact OG1-CG 3.35Å; T916-E919 PolarHBondContact OG1-N 3.43Å; T916-E919 VanDerWaalsContact OG1-N 3.14Å; L917-E919 VanDerWaalsContact C-N 3.35Å; L917-E919 PolarHBondContact O-N 2.84Å; E919-L922 PolarHBondContact O-N 2.65Å; E919-L923 WeakPolarHBondContact O-CG 3.33Å; E919-L923 PolarHBondContact O-N 2.86Å |
| 920 | A | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -50.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I890 V900 L902 V914 T916 L917 L922 L923 L924 | I890-A920 HydrophobicContact CD1-CB 3.99Å; I890-A920 HydrophobicContact CG1-CB 4.22Å; V900-A920 HydrophobicContact CG1-CB 3.85Å; L902-A920 HydrophobicContact CD1-CB 4.33Å; L902-A920 HydrophobicContact CD2-CB 4.13Å; L902-A920 HydrophobicContact CG-CB 4.24Å; V914-A920 HydrophobicContact CG2-CB 3.86Å; T916-A920 PolarHBondContact O-N 3.33Å; L917-A920 WeakPolarHBondContact O-CB 3.42Å; L917-A920 PolarHBondContact O-N 3.41Å; A920-L922 VanDerWaalsContact C-N 3.34Å; A920-L922 PolarHBondContact O-N 3.3Å; A920-L923 PolarHBondContact O-N 3Å; A920-L924 WeakPolarHBondContact O-CG 3.42Å; A920-L924 PolarHBondContact O-N 3.39Å; A920-L924 VanDerWaalsContact O-N 3.13Å |
| 921 | E | 94.6 | Very high | 94 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 178 | -71.6 | 178.9 | 172.3 | 0 | 0 | 111.8 | I890 L917 N918 L923 L924 Q925 | I890-E921 HydrophobicContact CD1-CG 4.38Å; L917-E921 HydrophobicContact CD1-CG 4.32Å; L917-E921 HydrophobicContact CG-CG 4.37Å; L917-E921 WeakPolarHBondContact O-CG 3.31Å; L917-E921 PolarHBondContact O-N 3.37Å; N918-E921 PolarHBondContact O-N 3.16Å; E921-L923 PolarHBondContact O-N 2.94Å; E921-L924 PolarHBondContact O-N 3.3Å; E921-Q925 WeakPolarHBondContact O-CB 3.3Å; E921-Q925 VanDerWaalsContact O-CG 3.3Å; E921-Q925 WeakPolarHBondContact O-CG 3.32Å; E921-Q925 PolarHBondContact O-N 2.92Å |
| 922 | L | 96.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.3 | -175.4 | 67.2 | 0 | 0 | 0 | 111.9 | Q126 M129 D130 I133 N918 E919 A920 Q925 F926 | Q126-L922 HydrophobicContact CB-CD2 3.74Å; Q126-L922 HydrophobicContact CG-CD2 3.98Å; M129-L922 HydrophobicContact CB-CD1 4.14Å; M129-L922 HydrophobicContact CB-CD2 4.09Å; M129-L922 HydrophobicContact CB-CG 4.17Å; M129-L922 HydrophobicContact CE-CD2 4.3Å; M129-L922 HydrophobicContact CE-CG 4.03Å; M129-L922 HydrophobicContact SD-CD2 4.21Å; D130-L922 HydrophobicContact CB-CD1 3.99Å; I133-L922 HydrophobicContact CD1-CD1 3.6Å; N918-L922 WeakPolarHBondContact O-CB 3.14Å; N918-L922 PolarHBondContact O-N 2.67Å; E919-L922 PolarHBondContact O-N 2.65Å; A920-L922 VanDerWaalsContact C-N 3.34Å; A920-L922 PolarHBondContact O-N 3.3Å; L922-Q925 PolarHBondContact O-N 3.36Å; L922-F926 VanDerWaalsContact O-CB 3.29Å; L922-F926 WeakPolarHBondContact O-CB 3.47Å; L922-F926 PolarHBondContact O-N 2.89Å |
| 923 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.1 | -76.6 | 167.2 | 0 | 0 | 0 | 112.2 | I121 M129 I878 L881 L882 L902 V914 E919 A920 E921 F926 R927 | I121-L923 HydrophobicContact CD1-CD1 3.72Å; I121-L923 HydrophobicContact CD1-CD2 3.9Å; I121-L923 HydrophobicContact CD1-CG 3.62Å; M129-L923 HydrophobicContact CE-CD2 3.97Å; I878-L923 HydrophobicContact CD1-CD1 3.98Å; I878-L923 HydrophobicContact CD1-CD2 4.06Å; I878-L923 HydrophobicContact CG2-CD2 4.3Å; L881-L923 HydrophobicContact CD2-CB 3.8Å; L881-L923 HydrophobicContact CD2-CD1 3.66Å; L881-L923 HydrophobicContact CD2-CD2 4.23Å; L881-L923 HydrophobicContact CD2-CG 4.12Å; L882-L923 HydrophobicContact CD2-CD2 4.48Å; L882-L923 WeakPolarHBondContact CD2-O 3.06Å; L902-L923 HydrophobicContact CD1-CD1 4.08Å; V914-L923 HydrophobicContact CG1-CD1 4.16Å; E919-L923 WeakPolarHBondContact O-CG 3.33Å; E919-L923 PolarHBondContact O-N 2.86Å; A920-L923 PolarHBondContact O-N 3Å; E921-L923 PolarHBondContact O-N 2.94Å; L923-F926 PolarHBondContact O-N 3.47Å; L923-R927 WeakPolarHBondContact O-CB 3.48Å; L923-R927 PolarHBondContact O-N 3.18Å |
| 924 | L | 96.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 178.5 | -66.8 | -179 | 0 | 0 | 0 | 112.2 | P888 I890 L902 A920 E921 S928 | P888-L924 HydrophobicContact CB-CD2 3.75Å; P888-L924 HydrophobicContact CG-CD2 3.38Å; I890-L924 HydrophobicContact CD1-CD1 3.85Å; I890-L924 HydrophobicContact CG1-CD1 3.99Å; L902-L924 HydrophobicContact CD2-CD1 4.37Å; L902-L924 HydrophobicContact CD2-CD2 4.39Å; L902-L924 HydrophobicContact CD2-CG 4.4Å; A920-L924 WeakPolarHBondContact O-CG 3.42Å; A920-L924 PolarHBondContact O-N 3.39Å; A920-L924 VanDerWaalsContact O-N 3.13Å; E921-L924 PolarHBondContact O-N 3.3Å; L924-S928 PolarHBondContact O-N 3.32Å |
| 925 | Q | 97.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 43% | 0.425 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.6 | -71.5 | 177 | 12.2 | 0 | 0 | 111 | I133 E921 L922 S928 V929 | I133-Q925 HydrophobicContact CD1-CB 3.83Å; I133-Q925 HydrophobicContact CG2-CB 4.36Å; E921-Q925 WeakPolarHBondContact O-CB 3.3Å; E921-Q925 VanDerWaalsContact O-CG 3.3Å; E921-Q925 WeakPolarHBondContact O-CG 3.32Å; E921-Q925 PolarHBondContact O-N 2.92Å; L922-Q925 PolarHBondContact O-N 3.36Å; Q925-S928 WeakPolarHBondContact O-CB 3.19Å; Q925-S928 PolarHBondContact O-N 3.09Å; Q925-V929 WeakPolarHBondContact O-CG2 3.33Å; Q925-V929 PolarHBondContact O-N 3.42Å |
| 926 | F | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.6 | -168.1 | -125 | 0 | 0 | 0 | 111.5 | M129 L132 I133 L882 L922 L923 S928 V929 L930 V963 L964 V967 | M129-F926 HydrophobicContact CE-CB 3.76Å; M129-F926 HydrophobicContact CE-CD1 3.79Å; M129-F926 HydrophobicContact CE-CG 3.82Å; L132-F926 HydrophobicContact CD1-CE2 4.28Å; I133-F926 HydrophobicContact CD1-CB 4.16Å; I133-F926 HydrophobicContact CG1-CD2 4.36Å; L882-F926 HydrophobicContact CD1-CD1 4Å; L882-F926 HydrophobicContact CD1-CE1 4.22Å; L882-F926 HydrophobicContact CD2-CD1 4.33Å; L922-F926 VanDerWaalsContact O-CB 3.29Å; L922-F926 WeakPolarHBondContact O-CB 3.47Å; L922-F926 PolarHBondContact O-N 2.89Å; L923-F926 PolarHBondContact O-N 3.47Å; F926-S928 VanDerWaalsContact C-N 3.34Å; F926-S928 PolarHBondContact O-N 3.49Å; F926-V929 PolarHBondContact O-N 3.04Å; F926-L930 HydrophobicContact CD1-CD1 3.72Å; F926-L930 HydrophobicContact CD1-CG 4.46Å; F926-L930 HydrophobicContact CE1-CD1 3.64Å; F926-L930 HydrophobicContact CE1-CD2 4.5Å; F926-L930 HydrophobicContact CE1-CG 4.31Å; F926-L930 HydrophobicContact CE2-CD2 4.43Å; F926-L930 HydrophobicContact CE2-CG 4.42Å; F926-L930 HydrophobicContact CG-CD1 4.25Å; F926-L930 HydrophobicContact CZ-CD1 4.09Å; F926-L930 HydrophobicContact CZ-CD2 4.14Å; F926-L930 HydrophobicContact CZ-CG 4.28Å; F926-L930 VanDerWaalsContact O-CG 3.26Å; F926-L930 WeakPolarHBondContact O-CG 3.43Å; F926-L930 PolarHBondContact O-N 3.17Å; F926-V963 HydrophobicContact CZ-CG1 4.34Å; F926-L964 HydrophobicContact CE1-CD1 4.1Å; F926-V967 HydrophobicContact CE1-CG1 4.3Å; F926-V967 HydrophobicContact CE1-CG2 4.38Å |
| 927 | R | 97.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.1 | -51.8 | 170.5 | 174.5 | 173.5 | 177.1 | 111.4 | 10.2 | 111.4 | L881 L882 S884 L923 V929 L930 H931 | L881-R927 WeakPolarHBondContact O-CD 3.37Å; L881-R927 PolarHBondContact O-NH1 2.97Å; L882-R927 HydrophobicContact CD2-CB 3.77Å; L882-R927 PolarHBondContact O-NH1 3.46Å; S884-R927 PolarHBondContact O-NH1 3.32Å; S884-R927 PolarHBondContact O-NH2 2.85Å; L923-R927 WeakPolarHBondContact O-CB 3.48Å; L923-R927 PolarHBondContact O-N 3.18Å; R927-V929 VanDerWaalsContact C-N 3.33Å; R927-V929 PolarHBondContact O-N 2.84Å; R927-L930 PolarHBondContact O-N 2.79Å; R927-H931 PolarHBondContact NH2-NE2 3.05Å; R927-H931 PolarHBondContact O-CD2 3.11Å; R927-H931 PolarHBondContact O-N 3.38Å; R927-H931 VanDerWaalsContact O-N 3.07Å |
| 928 | S | 96.7 | Very high | 94.3 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.2 | -45.8 | -179.7 | -175 | 0 | 0 | 0 | 0 | 112 | L924 Q925 F926 S932 | L924-S928 PolarHBondContact O-N 3.32Å; Q925-S928 WeakPolarHBondContact O-CB 3.19Å; Q925-S928 PolarHBondContact O-N 3.09Å; F926-S928 VanDerWaalsContact C-N 3.34Å; F926-S928 PolarHBondContact O-N 3.49Å; S928-S932 WeakPolarHBondContact O-CB 3.29Å; S928-S932 PolarHBondContact O-N 2.97Å |
| 929 | V | 96.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | I133 Y136 Q925 F926 R927 S932 F933 W956 | I133-V929 HydrophobicContact CB-CG2 4.34Å; I133-V929 HydrophobicContact CG1-CG2 4.05Å; I133-V929 HydrophobicContact CG2-CG2 4.13Å; Y136-V929 HydrophobicContact CD1-CB 4.16Å; Y136-V929 HydrophobicContact CD1-CG1 3.64Å; Y136-V929 HydrophobicContact CD1-CG2 3.84Å; Y136-V929 HydrophobicContact CD2-CG1 4.26Å; Y136-V929 HydrophobicContact CE1-CG1 4.25Å; Y136-V929 HydrophobicContact CG-CG1 3.63Å; Y136-V929 HydrophobicContact CG-CG2 4.47Å; Q925-V929 WeakPolarHBondContact O-CG2 3.33Å; Q925-V929 PolarHBondContact O-N 3.42Å; F926-V929 PolarHBondContact O-N 3.04Å; R927-V929 VanDerWaalsContact C-N 3.33Å; R927-V929 PolarHBondContact O-N 2.84Å; V929-S932 PolarHBondContact O-N 3.01Å; V929-F933 VanDerWaalsContact O-CB 3.25Å; V929-F933 WeakPolarHBondContact O-CB 3.48Å; V929-F933 PolarHBondContact O-N 3.47Å; V929-W956 HydrophobicContact CG1-CH2 4.04Å; V929-W956 HydrophobicContact CG1-CZ2 3.83Å |
| 930 | L | 97 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 179.5 | -70.2 | 166 | 0 | 0 | 0 | 112.2 | L882 F883 F926 R927 F933 F934 M960 L964 | L882-L930 HydrophobicContact CD1-CD1 4.19Å; F883-L930 HydrophobicContact CE1-CB 4.39Å; F883-L930 HydrophobicContact CE1-CD1 4.07Å; F883-L930 HydrophobicContact CZ-CD1 3.73Å; F926-L930 HydrophobicContact CD1-CD1 3.72Å; F926-L930 HydrophobicContact CD1-CG 4.46Å; F926-L930 HydrophobicContact CE1-CD1 3.64Å; F926-L930 HydrophobicContact CE1-CD2 4.5Å; F926-L930 HydrophobicContact CE1-CG 4.31Å; F926-L930 HydrophobicContact CE2-CD2 4.43Å; F926-L930 HydrophobicContact CE2-CG 4.42Å; F926-L930 HydrophobicContact CG-CD1 4.25Å; F926-L930 HydrophobicContact CZ-CD1 4.09Å; F926-L930 HydrophobicContact CZ-CD2 4.14Å; F926-L930 HydrophobicContact CZ-CG 4.28Å; F926-L930 VanDerWaalsContact O-CG 3.26Å; F926-L930 WeakPolarHBondContact O-CG 3.43Å; F926-L930 PolarHBondContact O-N 3.17Å; R927-L930 PolarHBondContact O-N 2.79Å; L930-F933 PolarHBondContact O-N 3.3Å; L930-F934 WeakPolarHBondContact O-CB 3.34Å; L930-F934 PolarHBondContact O-N 3.44Å; L930-M960 HydrophobicContact CD2-CE 4.15Å; L930-M960 HydrophobicContact CD2-CG 4.03Å; L930-M960 HydrophobicContact CD2-SD 3.4Å; L930-M960 WeakPolarHBondContact CD2-SD 3.19Å; L930-L964 HydrophobicContact CD1-CD1 4.1Å; L930-L964 HydrophobicContact CD2-CD1 4.46Å; L930-L964 HydrophobicContact CD2-CD2 4.5Å |
| 931 | H | 95.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.4 | -39 | 177.7 | -69.6 | -76.4 | 0 | 0 | 0 | 112.3 | Y662 L882 R927 F933 F934 K935 | Y662-H931 AromaticContact CZ-ND1 3.98Å; Y662-H931 PolarHBondContact OH-ND1 2.87Å; L882-H931 PolarHBondContact O-NE2 2.8Å; R927-H931 PolarHBondContact NH2-NE2 3.05Å; R927-H931 PolarHBondContact O-CD2 3.11Å; R927-H931 PolarHBondContact O-N 3.38Å; R927-H931 VanDerWaalsContact O-N 3.07Å; H931-F933 VanDerWaalsContact C-N 3.34Å; H931-F934 WeakPolarHBondContact O-CB 3.44Å; H931-F934 PolarHBondContact O-N 2.87Å; H931-K935 WeakPolarHBondContact O-CG 3.13Å; H931-K935 PolarHBondContact O-N 3.12Å |
| 932 | S | 94.2 | Very high | 91.1 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Y136 S928 V929 F934 K935 L936 | Y136-S932 VanDerWaalsContact OH-C 3.26Å; Y136-S932 PolarHBondContact OH-O 3.07Å; Y136-S932 PolarHBondContact OH-OG 3.49Å; S928-S932 WeakPolarHBondContact O-CB 3.29Å; S928-S932 PolarHBondContact O-N 2.97Å; V929-S932 PolarHBondContact O-N 3.01Å; S932-F934 PolarHBondContact O-N 3.48Å; S932-K935 PolarHBondContact O-N 3Å; S932-L936 WeakPolarHBondContact O-CB 3.43Å; S932-L936 PolarHBondContact O-N 2.84Å |
| 933 | F | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 178.7 | 177 | -113.8 | 0 | 0 | 0 | 112.2 | Y136 V665 V929 L930 H931 L936 S937 F945 L953 W956 H957 M960 | Y136-F933 HydrophobicContact CE2-CB 3.79Å; Y136-F933 AromaticContact CE2-CD2 3.82Å; Y136-F933 HydrophobicContact CE2-CD2 3.82Å; Y136-F933 HydrophobicContact CE2-CG 4.24Å; Y136-F933 WeakPolarHBondContact OH-CA 3.42Å; Y136-F933 PolarHBondContact OH-N 2.96Å; Y136-F933 VanDerWaalsContact OH-N 3.15Å; V665-F933 HydrophobicContact CG1-CD1 3.88Å; V665-F933 HydrophobicContact CG1-CE1 3.71Å; V929-F933 VanDerWaalsContact O-CB 3.25Å; V929-F933 WeakPolarHBondContact O-CB 3.48Å; V929-F933 PolarHBondContact O-N 3.47Å; L930-F933 PolarHBondContact O-N 3.3Å; H931-F933 VanDerWaalsContact C-N 3.34Å; F933-L936 PolarHBondContact O-N 3.38Å; F933-S937 VanDerWaalsContact O-CB 3.28Å; F933-S937 WeakPolarHBondContact O-CB 3.43Å; F933-S937 PolarHBondContact O-N 3.49Å; F933-S937 PolarHBondContact O-OG 2.8Å; F933-F945 HydrophobicContact CE1-CZ 4.33Å; F933-F945 HydrophobicContact CE2-CE1 4.25Å; F933-F945 AromaticContact CE2-CZ 3.92Å; F933-F945 HydrophobicContact CE2-CZ 3.92Å; F933-F945 AromaticContact CZ-CE1 3.78Å; F933-F945 HydrophobicContact CZ-CE1 3.78Å; F933-F945 AromaticContact CZ-CZ 3.43Å; F933-F945 HydrophobicContact CZ-CZ 3.43Å; F933-F945 VanDerWaalsContact CZ-CZ 3.43Å; F933-L953 HydrophobicContact CE2-CD1 4.23Å; F933-W956 HydrophobicContact CB-CH2 4.23Å; F933-W956 HydrophobicContact CB-CZ3 4.41Å; F933-W956 HydrophobicContact CD1-CH2 4.31Å; F933-W956 AromaticContact CD1-CZ3 3.89Å; F933-W956 HydrophobicContact CD1-CZ3 3.89Å; F933-W956 HydrophobicContact CD2-CE3 4.48Å; F933-W956 HydrophobicContact CD2-CH2 4.2Å; F933-W956 AromaticContact CD2-CZ3 3.59Å; F933-W956 HydrophobicContact CD2-CZ3 3.59Å; F933-W956 AromaticContact CE1-CZ3 3.91Å; F933-W956 HydrophobicContact CE1-CZ3 3.91Å; F933-W956 HydrophobicContact CE2-CE3 4.17Å; F933-W956 AromaticContact CE2-CZ3 3.61Å; F933-W956 HydrophobicContact CE2-CZ3 3.61Å; F933-W956 AromaticContact CG-CH2 3.99Å; F933-W956 HydrophobicContact CG-CH2 3.99Å; F933-W956 AromaticContact CG-CZ3 3.69Å; F933-W956 HydrophobicContact CG-CZ3 3.69Å; F933-W956 HydrophobicContact CZ-CE3 4.31Å; F933-W956 AromaticContact CZ-CZ3 3.74Å; F933-W956 HydrophobicContact CZ-CZ3 3.74Å; F933-H957 AromaticContact CE1-CD2 3.6Å; F933-H957 AromaticContact CE1-NE2 3.8Å; F933-H957 HydrophobicContact CZ-CB 4.04Å; F933-H957 AromaticContact CZ-CD2 3.81Å; F933-H957 AromaticContact CZ-CG 3.75Å; F933-M960 HydrophobicContact CD1-CE 3.72Å; F933-M960 HydrophobicContact CE1-CE 3.68Å |
| 934 | F | 94.6 | Very high | 88 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.9 | -50.6 | 172.1 | 168.9 | -99.6 | 0 | 0 | 0 | 111.7 | V643 L661 Y662 V665 L930 H931 S932 L936 S937 L938 | V643-F934 HydrophobicContact CG2-CE1 3.82Å; V643-F934 HydrophobicContact CG2-CZ 4.31Å; L661-F934 HydrophobicContact CB-CE2 3.77Å; L661-F934 HydrophobicContact CB-CZ 3.91Å; Y662-F934 AromaticContact CD1-CD2 3.76Å; Y662-F934 HydrophobicContact CD1-CD2 3.76Å; Y662-F934 HydrophobicContact CD1-CE2 4.13Å; Y662-F934 HydrophobicContact CD1-CG 4.22Å; Y662-F934 AromaticContact CD2-CD2 3.89Å; Y662-F934 HydrophobicContact CD2-CD2 3.89Å; Y662-F934 HydrophobicContact CD2-CE1 4.15Å; Y662-F934 AromaticContact CD2-CE2 3.44Å; Y662-F934 HydrophobicContact CD2-CE2 3.44Å; Y662-F934 VanDerWaalsContact CD2-CE2 3.44Å; Y662-F934 HydrophobicContact CD2-CG 4.42Å; Y662-F934 AromaticContact CD2-CZ 3.57Å; Y662-F934 HydrophobicContact CD2-CZ 3.57Å; Y662-F934 HydrophobicContact CE1-CB 3.88Å; Y662-F934 HydrophobicContact CE1-CD1 4.21Å; Y662-F934 AromaticContact CE1-CD2 3.68Å; Y662-F934 HydrophobicContact CE1-CD2 3.68Å; Y662-F934 HydrophobicContact CE1-CE2 4.25Å; Y662-F934 AromaticContact CE1-CG 3.65Å; Y662-F934 HydrophobicContact CE1-CG 3.65Å; Y662-F934 AromaticContact CE2-CD1 3.73Å; Y662-F934 HydrophobicContact CE2-CD1 3.73Å; Y662-F934 AromaticContact CE2-CD2 3.83Å; Y662-F934 HydrophobicContact CE2-CD2 3.83Å; Y662-F934 AromaticContact CE2-CE1 3.48Å; Y662-F934 HydrophobicContact CE2-CE1 3.48Å; Y662-F934 VanDerWaalsContact CE2-CE1 3.48Å; Y662-F934 AromaticContact CE2-CE2 3.59Å; Y662-F934 HydrophobicContact CE2-CE2 3.59Å; Y662-F934 AromaticContact CE2-CG 3.89Å; Y662-F934 HydrophobicContact CE2-CG 3.89Å; Y662-F934 AromaticContact CE2-CZ 3.39Å; Y662-F934 HydrophobicContact CE2-CZ 3.39Å; Y662-F934 AromaticContact CG-CD2 3.86Å; Y662-F934 HydrophobicContact CG-CD2 3.86Å; Y662-F934 AromaticContact CG-CE2 3.73Å; Y662-F934 HydrophobicContact CG-CE2 3.73Å; Y662-F934 HydrophobicContact CG-CZ 4.33Å; Y662-F934 AromaticContact CZ-CD1 3.52Å; Y662-F934 AromaticContact CZ-CD2 3.71Å; Y662-F934 AromaticContact CZ-CE1 3.81Å; Y662-F934 AromaticContact CZ-CE2 4Å; Y662-F934 AromaticContact CZ-CG 3.46Å; Y662-F934 VanDerWaalsContact CZ-CG 3.46Å; Y662-F934 WeakPolarHBondContact OH-CD1 3.45Å; V665-F934 HydrophobicContact CB-CD2 4.42Å; V665-F934 HydrophobicContact CG2-CD2 3.85Å; V665-F934 HydrophobicContact CG2-CE2 4.48Å; L930-F934 WeakPolarHBondContact O-CB 3.34Å; L930-F934 PolarHBondContact O-N 3.44Å; H931-F934 WeakPolarHBondContact O-CB 3.44Å; H931-F934 PolarHBondContact O-N 2.87Å; S932-F934 PolarHBondContact O-N 3.48Å; F934-L936 PolarHBondContact O-N 3.34Å; F934-S937 WeakPolarHBondContact O-CB 3.37Å; F934-S937 PolarHBondContact O-N 2.89Å; F934-L938 HydrophobicContact CD1-CD1 4.39Å; F934-L938 HydrophobicContact CD2-CD1 4.46Å; F934-L938 HydrophobicContact CE1-CD1 3.71Å; F934-L938 HydrophobicContact CE2-CD1 3.77Å; F934-L938 HydrophobicContact CE2-CG 4.29Å; F934-L938 HydrophobicContact CZ-CD1 3.36Å; F934-L938 HydrophobicContact CZ-CG 4.32Å; F934-L938 PolarHBondContact O-N 2.79Å |
| 935 | K | 92.3 | Very high | 86.4 | Confident | 87 Ų | 87 | 36.5 Ų | 36.5 | 38% | 0.378 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 178.8 | -68.1 | -169.5 | -175.2 | -139 | 0 | 112.1 | D632 H931 S932 S937 L938 E939 | D632-K935 IonicContact OD1-NZ 2.7Å; D632-K935 PolarHBondContact OD1-NZ 3.34Å; D632-K935 WeakPolarHBondContact OD2-CE 3.31Å; D632-K935 IonicContact OD2-NZ 2.66Å; D632-K935 PolarHBondContact OD2-NZ 2.85Å; H931-K935 WeakPolarHBondContact O-CG 3.13Å; H931-K935 PolarHBondContact O-N 3.12Å; S932-K935 PolarHBondContact O-N 3Å; K935-S937 VanDerWaalsContact C-N 3.28Å; K935-S937 PolarHBondContact O-N 3.27Å; K935-L938 PolarHBondContact O-N 3.04Å; K935-L938 VanDerWaalsContact O-N 3.15Å; K935-E939 PolarHBondContact O-N 3.25Å |
| 936 | L | 87.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 177.9 | -173.3 | 63.9 | 0 | 0 | 0 | 112 | L143 S932 F933 F934 L938 H940 | L143-L936 HydrophobicContact CD2-CD2 3.75Å; L143-L936 HydrophobicContact CD2-CG 4.1Å; S932-L936 WeakPolarHBondContact O-CB 3.43Å; S932-L936 PolarHBondContact O-N 2.84Å; F933-L936 PolarHBondContact O-N 3.38Å; F934-L936 PolarHBondContact O-N 3.34Å; L936-L938 VanDerWaalsContact C-N 3.33Å; L936-L938 PolarHBondContact O-N 3.31Å; L936-H940 PolarHBondContact O-CD2 2.92Å; L936-H940 VanDerWaalsContact O-CD2 3.31Å |
| 937 | S | 88.1 | Confident | 83 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 177.4 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | F933 F934 K935 R941 L942 | F933-S937 VanDerWaalsContact O-CB 3.28Å; F933-S937 WeakPolarHBondContact O-CB 3.43Å; F933-S937 PolarHBondContact O-N 3.49Å; F933-S937 PolarHBondContact O-OG 2.8Å; F934-S937 WeakPolarHBondContact O-CB 3.37Å; F934-S937 PolarHBondContact O-N 2.89Å; K935-S937 VanDerWaalsContact C-N 3.28Å; K935-S937 PolarHBondContact O-N 3.27Å; S937-R941 PolarHBondContact O-N 2.86Å; S937-L942 PolarHBondContact O-N 3.13Å |
| 938 | L | 89 | Confident | 81 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -78.7 | -38.3 | -179.3 | -66.4 | -174.8 | 0 | 0 | 0 | 113.6 | V643 Y646 L661 I767 F934 K935 L936 H940 R941 | V643-L938 HydrophobicContact CG2-CD1 3.76Å; Y646-L938 HydrophobicContact CD2-CB 4.47Å; Y646-L938 HydrophobicContact CD2-CD2 4.26Å; Y646-L938 HydrophobicContact CE2-CB 3.98Å; Y646-L938 HydrophobicContact CE2-CD2 4.21Å; Y646-L938 PolarHBondContact OH-O 2.93Å; L661-L938 HydrophobicContact CB-CD1 4.39Å; L661-L938 HydrophobicContact CB-CD2 4.45Å; L661-L938 HydrophobicContact CD1-CD1 3.99Å; L661-L938 HydrophobicContact CD2-CD2 4.09Å; I767-L938 HydrophobicContact CD1-CD2 3.84Å; I767-L938 HydrophobicContact CG1-CD2 4.41Å; F934-L938 HydrophobicContact CD1-CD1 4.39Å; F934-L938 HydrophobicContact CD2-CD1 4.46Å; F934-L938 HydrophobicContact CE1-CD1 3.71Å; F934-L938 HydrophobicContact CE2-CD1 3.77Å; F934-L938 HydrophobicContact CE2-CG 4.29Å; F934-L938 HydrophobicContact CZ-CD1 3.36Å; F934-L938 HydrophobicContact CZ-CG 4.32Å; F934-L938 PolarHBondContact O-N 2.79Å; K935-L938 PolarHBondContact O-N 3.04Å; K935-L938 VanDerWaalsContact O-N 3.15Å; L936-L938 VanDerWaalsContact C-N 3.33Å; L936-L938 PolarHBondContact O-N 3.31Å; L938-H940 PolarHBondContact O-N 2.68Å; L938-R941 PolarHBondContact O-N 2.87Å; L938-R941 VanDerWaalsContact O-N 3.15Å |
| 939 | E | 83.3 | Confident | 79.4 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -52.3 | -28.1 | 175 | -87.2 | 169.6 | -165.1 | 0 | 0 | 113.2 | R151 N642 K935 | R151-E939 PolarHBondContact NH2-O 2.87Å; N642-E939 WeakPolarHBondContact ND2-CG 3.41Å; K935-E939 PolarHBondContact O-N 3.25Å |
| 940 | H | 75.6 | Confident | 78.2 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 19.2 | -175.2 | -61.3 | -72.8 | 0 | 0 | 0 | 113.6 | L147 L936 L938 L942 A943 | L147-H940 HydrophobicContact CD1-CB 4.01Å; L147-H940 WeakPolarHBondContact CD1-CD2 3.23Å; L147-H940 WeakPolarHBondContact CD1-NE2 3.5Å; L936-H940 PolarHBondContact O-CD2 2.92Å; L936-H940 VanDerWaalsContact O-CD2 3.31Å; L938-H940 PolarHBondContact O-N 2.68Å; H940-L942 PolarHBondContact O-N 2.76Å; H940-L942 VanDerWaalsContact O-N 3.07Å; H940-A943 WeakPolarHBondContact O-CB 3.35Å; H940-A943 PolarHBondContact O-N 3.44Å |
| 941 | R | 76.3 | Confident | 77.3 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 59% | 0.592 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 34.2 | 176.9 | -67 | 174.2 | -178.5 | -163.3 | -0.1 | 113.4 | Y646 S937 L938 A943 | Y646-R941 WeakPolarHBondContact OH-CG 3.24Å; S937-R941 PolarHBondContact O-N 2.86Å; L938-R941 PolarHBondContact O-N 2.87Å; L938-R941 VanDerWaalsContact O-N 3.15Å; R941-A943 PolarHBondContact O-N 2.86Å |
| 942 | L | 71.4 | Confident | 76.8 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 10 | -174.6 | -53.6 | 174.2 | 0 | 0 | 0 | 114.1 | I664 I767 S937 H940 A944 F945 | I664-L942 HydrophobicContact CB-CD1 4.44Å; I664-L942 HydrophobicContact CG2-CD1 3.24Å; I767-L942 HydrophobicContact CD1-CD1 4.02Å; I767-L942 HydrophobicContact CD1-CG 3.89Å; I767-L942 HydrophobicContact CG1-CD1 3.98Å; I767-L942 HydrophobicContact CG1-CG 4.41Å; S937-L942 PolarHBondContact O-N 3.13Å; H940-L942 PolarHBondContact O-N 2.76Å; H940-L942 VanDerWaalsContact O-N 3.07Å; L942-A944 PolarHBondContact O-N 3.33Å; L942-F945 HydrophobicContact CB-CD2 3.82Å; L942-F945 HydrophobicContact CB-CE2 4.31Å; L942-F945 HydrophobicContact CD2-CD2 3.89Å; L942-F945 HydrophobicContact CD2-CE2 3.51Å; L942-F945 HydrophobicContact CG-CD2 4.45Å; L942-F945 WeakPolarHBondContact O-CB 3.24Å; L942-F945 WeakPolarHBondContact O-CD2 3.47Å; L942-F945 PolarHBondContact O-N 3.03Å |
| 943 | A | 66.6 | Low | 76.3 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -31 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H940 R941 F945 K946 F947 | H940-A943 WeakPolarHBondContact O-CB 3.35Å; H940-A943 PolarHBondContact O-N 3.44Å; R941-A943 PolarHBondContact O-N 2.86Å; A943-F945 PolarHBondContact O-N 3.13Å; A943-F945 VanDerWaalsContact O-N 3.1Å; A943-K946 WeakPolarHBondContact O-CA 3.43Å; A943-K946 WeakPolarHBondContact O-CB 3.14Å; A943-K946 PolarHBondContact O-N 3.07Å; A943-F947 HydrophobicContact CB-CE2 4.09Å; A943-F947 WeakPolarHBondContact O-CD2 3.43Å; A943-F947 WeakPolarHBondContact O-CE2 3.23Å; A943-F947 PolarHBondContact O-N 3.33Å |
| 944 | A | 59.5 | Low | 75.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -48.3 | -36.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | L143 L147 L942 N950 L953 | L143-A944 HydrophobicContact CD1-CB 3.91Å; L143-A944 HydrophobicContact CD2-CB 4.07Å; L147-A944 HydrophobicContact CD1-CB 4.47Å; L942-A944 PolarHBondContact O-N 3.33Å; A944-N950 WeakPolarHBondContact O-CB 3.38Å; A944-N950 PolarHBondContact O-ND2 2.52Å; A944-L953 HydrophobicContact CB-CD2 3.85Å |
| 945 | F | 63.2 | Low | 75.7 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82.1 | -19.6 | 178.8 | -54.2 | -66.4 | 0 | 0 | 0 | 113.6 | F933 L942 A943 L953 N954 H957 | F933-F945 HydrophobicContact CE1-CZ 4.33Å; F933-F945 HydrophobicContact CE2-CE1 4.25Å; F933-F945 AromaticContact CE2-CZ 3.92Å; F933-F945 HydrophobicContact CE2-CZ 3.92Å; F933-F945 AromaticContact CZ-CE1 3.78Å; F933-F945 HydrophobicContact CZ-CE1 3.78Å; F933-F945 AromaticContact CZ-CZ 3.43Å; F933-F945 HydrophobicContact CZ-CZ 3.43Å; F933-F945 VanDerWaalsContact CZ-CZ 3.43Å; L942-F945 HydrophobicContact CB-CD2 3.82Å; L942-F945 HydrophobicContact CB-CE2 4.31Å; L942-F945 HydrophobicContact CD2-CD2 3.89Å; L942-F945 HydrophobicContact CD2-CE2 3.51Å; L942-F945 HydrophobicContact CG-CD2 4.45Å; L942-F945 WeakPolarHBondContact O-CB 3.24Å; L942-F945 WeakPolarHBondContact O-CD2 3.47Å; L942-F945 PolarHBondContact O-N 3.03Å; A943-F945 PolarHBondContact O-N 3.13Å; A943-F945 VanDerWaalsContact O-N 3.1Å; F945-L953 HydrophobicContact CE1-CD2 4.28Å; F945-L953 HydrophobicContact CE1-CG 4.38Å; F945-N954 VanDerWaalsContact CD1-OD1 3.28Å; F945-N954 WeakPolarHBondContact CD1-OD1 3.36Å; F945-N954 PolarHBondContact O-ND2 3Å; F945-H957 AromaticContact CD1-ND1 3.83Å; F945-H957 HydrophobicContact CE1-CB 4.1Å; F945-H957 AromaticContact CE1-CE1 3.99Å; F945-H957 AromaticContact CE1-CG 3.91Å; F945-H957 AromaticContact CE1-ND1 3.24Å; F945-H957 WeakPolarHBondContact CE1-ND1 3.49Å; F945-H957 AromaticContact CZ-CE1 3.96Å; F945-H957 AromaticContact CZ-ND1 3.66Å |
| 946 | K | 62.7 | Low | 75.8 | Confident | 107 Ų | 107 | 55 Ų | 55 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -84.7 | -17.4 | 179.5 | -59.6 | -176.6 | -174.4 | 176.6 | 0 | 113 | D769 A943 P948 | D769-K946 IonicContact OD1-NZ 2.93Å; D769-K946 PolarHBondContact OD1-NZ 2.87Å; D769-K946 WeakPolarHBondContact OD2-CE 2.99Å; D769-K946 IonicContact OD2-NZ 2.95Å; D769-K946 PolarHBondContact OD2-NZ 3.39Å; A943-K946 WeakPolarHBondContact O-CA 3.43Å; A943-K946 WeakPolarHBondContact O-CB 3.14Å; A943-K946 PolarHBondContact O-N 3.07Å; K946-P948 WeakPolarHBondContact O-CD 3.47Å |
| 947 | F | 61 | Low | 76 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | trans | -74.8 | 123 | 176.9 | -71 | -73.7 | 0 | 0 | 0 | 111.2 | L147 F150 A943 D949 N950 | L147-F947 HydrophobicContact CD2-CE2 4.13Å; F150-F947 AromaticContact CD1-CZ 3.95Å; F150-F947 HydrophobicContact CD1-CZ 3.95Å; F150-F947 AromaticContact CD2-CE1 3.89Å; F150-F947 HydrophobicContact CD2-CE1 3.89Å; F150-F947 AromaticContact CD2-CZ 3.78Å; F150-F947 HydrophobicContact CD2-CZ 3.78Å; F150-F947 AromaticContact CE1-CZ 3.77Å; F150-F947 HydrophobicContact CE1-CZ 3.77Å; F150-F947 AromaticContact CE2-CE1 3.62Å; F150-F947 HydrophobicContact CE2-CE1 3.62Å; F150-F947 AromaticContact CE2-CZ 3.61Å; F150-F947 HydrophobicContact CE2-CZ 3.61Å; F150-F947 HydrophobicContact CG-CE1 4.49Å; F150-F947 AromaticContact CG-CZ 3.95Å; F150-F947 HydrophobicContact CG-CZ 3.95Å; F150-F947 HydrophobicContact CZ-CE1 4Å; F150-F947 AromaticContact CZ-CZ 3.6Å; F150-F947 HydrophobicContact CZ-CZ 3.6Å; A943-F947 HydrophobicContact CB-CE2 4.09Å; A943-F947 WeakPolarHBondContact O-CD2 3.43Å; A943-F947 WeakPolarHBondContact O-CE2 3.23Å; A943-F947 PolarHBondContact O-N 3.33Å; F947-D949 PolarHBondContact O-N 2.86Å; F947-N950 HydrophobicContact CB-CB 4.39Å; F947-N950 PolarHBondContact O-N 3.18Å; F947-N950 VanDerWaalsContact O-N 3.16Å | ||
| 948 | P | 55.7 | Low | 76.2 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -56.5 | -32.5 | 176.8 | -24 | 33.1 | 0 | 0 | 0 | 113.1 | K946 N950 V951 | K946-P948 WeakPolarHBondContact O-CD 3.47Å; P948-N950 PolarHBondContact O-N 3.32Å; P948-V951 VanDerWaalsContact O-CG2 3.26Å; P948-V951 WeakPolarHBondContact O-CG2 3.31Å |
| 949 | D | 63.8 | Low | 76.6 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 81% | 0.807 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -74.5 | -11.4 | -175.8 | -58.8 | -29.7 | 0 | 0 | 0 | 113.5 | F947 V951 | F947-D949 PolarHBondContact O-N 2.86Å; D949-V951 VanDerWaalsContact C-N 3.3Å; D949-V951 PolarHBondContact O-N 3.27Å |
| 950 | N | 72 | Confident | 77.3 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -93 | 34.3 | -178.2 | -77.5 | -20.9 | 0 | 0 | 0 | 113.3 | A944 F947 P948 S952 L953 N954 | A944-N950 WeakPolarHBondContact O-CB 3.38Å; A944-N950 PolarHBondContact O-ND2 2.52Å; F947-N950 HydrophobicContact CB-CB 4.39Å; F947-N950 PolarHBondContact O-N 3.18Å; F947-N950 VanDerWaalsContact O-N 3.16Å; P948-N950 PolarHBondContact O-N 3.32Å; N950-S952 VanDerWaalsContact C-N 3.25Å; N950-S952 PolarHBondContact O-N 3.43Å; N950-L953 HydrophobicContact CB-CB 4.35Å; N950-L953 PolarHBondContact O-N 3.11Å; N950-N954 PolarHBondContact O-N 3.26Å; N950-N954 VanDerWaalsContact O-N 3.14Å |
| 951 | V | 78.3 | Confident | 78.3 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -50.7 | -45.8 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | P948 D949 L953 N954 E955 | P948-V951 VanDerWaalsContact O-CG2 3.26Å; P948-V951 WeakPolarHBondContact O-CG2 3.31Å; D949-V951 VanDerWaalsContact C-N 3.3Å; D949-V951 PolarHBondContact O-N 3.27Å; V951-L953 VanDerWaalsContact C-N 3.31Å; V951-L953 PolarHBondContact O-N 2.89Å; V951-N954 PolarHBondContact O-N 3.18Å; V951-E955 HydrophobicContact CG1-CG 4.27Å; V951-E955 WeakPolarHBondContact O-CG 3.29Å; V951-E955 PolarHBondContact O-N 2.83Å |
| 952 | S | 84.2 | Confident | 79.3 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -32.9 | -179 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | N950 W956 | N950-S952 VanDerWaalsContact C-N 3.25Å; N950-S952 PolarHBondContact O-N 3.43Å; S952-W956 WeakPolarHBondContact O-CB 3.31Å; S952-W956 PolarHBondContact O-N 2.95Å |
| 953 | L | 84.9 | Confident | 80.6 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.6 | -41.8 | 176.4 | -176 | 70.2 | 0 | 0 | 0 | 111 | L143 F933 A944 F945 N950 V951 E955 W956 H957 | L143-L953 HydrophobicContact CD1-CD2 4Å; L143-L953 HydrophobicContact CD2-CD1 4.4Å; L143-L953 HydrophobicContact CD2-CD2 3.58Å; L143-L953 HydrophobicContact CG-CD2 4.38Å; F933-L953 HydrophobicContact CE2-CD1 4.23Å; A944-L953 HydrophobicContact CB-CD2 3.85Å; F945-L953 HydrophobicContact CE1-CD2 4.28Å; F945-L953 HydrophobicContact CE1-CG 4.38Å; N950-L953 HydrophobicContact CB-CB 4.35Å; N950-L953 PolarHBondContact O-N 3.11Å; V951-L953 VanDerWaalsContact C-N 3.31Å; V951-L953 PolarHBondContact O-N 2.89Å; L953-E955 VanDerWaalsContact C-N 3.35Å; L953-W956 PolarHBondContact O-N 2.75Å; L953-H957 VanDerWaalsContact O-CB 3.31Å; L953-H957 WeakPolarHBondContact O-CB 3.38Å; L953-H957 PolarHBondContact O-N 2.83Å |
| 954 | N | 84.5 | Confident | 82.1 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.9 | -86.4 | -38.1 | 0 | 0 | 0 | 111.6 | F945 N950 V951 H957 T958 | F945-N954 VanDerWaalsContact CD1-OD1 3.28Å; F945-N954 WeakPolarHBondContact CD1-OD1 3.36Å; F945-N954 PolarHBondContact O-ND2 3Å; N950-N954 PolarHBondContact O-N 3.26Å; N950-N954 VanDerWaalsContact O-N 3.14Å; V951-N954 PolarHBondContact O-N 3.18Å; N954-H957 PolarHBondContact O-N 3.14Å; N954-T958 PolarHBondContact O-N 3.36Å; N954-T958 PolarHBondContact O-OG1 3.4Å |
| 955 | E | 90.5 | Very high | 83.9 | Confident | 125 Ų | 125 | 50.7 Ų | 50.7 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 173.8 | -73.6 | 176.3 | 172.4 | 0 | 0 | 111.7 | V951 L953 H957 T958 K959 | V951-E955 HydrophobicContact CG1-CG 4.27Å; V951-E955 WeakPolarHBondContact O-CG 3.29Å; V951-E955 PolarHBondContact O-N 2.83Å; L953-E955 VanDerWaalsContact C-N 3.35Å; E955-H957 VanDerWaalsContact C-N 3.32Å; E955-H957 PolarHBondContact O-N 2.92Å; E955-T958 PolarHBondContact O-N 3.36Å; E955-K959 WeakPolarHBondContact O-CB 3.22Å; E955-K959 PolarHBondContact O-N 2.85Å |
| 956 | W | 93.5 | Very high | 85.5 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.7 | 178.5 | 92.5 | 0 | 0 | 0 | 111.7 | L132 Y136 L139 V929 F933 S952 L953 K959 M960 | L132-W956 HydrophobicContact CD2-CG 4.35Å; L132-W956 PolarHBondContact O-NE1 2.87Å; Y136-W956 AromaticContact CD2-CH2 3.6Å; Y136-W956 HydrophobicContact CD2-CH2 3.6Å; Y136-W956 AromaticContact CD2-CZ2 3.67Å; Y136-W956 HydrophobicContact CD2-CZ2 3.67Å; Y136-W956 HydrophobicContact CD2-CZ3 4.1Å; Y136-W956 HydrophobicContact CE2-CH2 4.25Å; Y136-W956 HydrophobicContact CG-CH2 4.22Å; Y136-W956 AromaticContact CG-CZ2 3.91Å; Y136-W956 HydrophobicContact CG-CZ2 3.91Å; L139-W956 HydrophobicContact CD1-CB 3.48Å; L139-W956 VanDerWaalsContact CD1-CB 3.48Å; L139-W956 HydrophobicContact CD1-CD2 4.22Å; L139-W956 HydrophobicContact CD1-CG 3.46Å; L139-W956 VanDerWaalsContact CD1-CG 3.46Å; V929-W956 HydrophobicContact CG1-CH2 4.04Å; V929-W956 HydrophobicContact CG1-CZ2 3.83Å; F933-W956 HydrophobicContact CB-CH2 4.23Å; F933-W956 HydrophobicContact CB-CZ3 4.41Å; F933-W956 HydrophobicContact CD1-CH2 4.31Å; F933-W956 AromaticContact CD1-CZ3 3.89Å; F933-W956 HydrophobicContact CD1-CZ3 3.89Å; F933-W956 HydrophobicContact CD2-CE3 4.48Å; F933-W956 HydrophobicContact CD2-CH2 4.2Å; F933-W956 AromaticContact CD2-CZ3 3.59Å; F933-W956 HydrophobicContact CD2-CZ3 3.59Å; F933-W956 AromaticContact CE1-CZ3 3.91Å; F933-W956 HydrophobicContact CE1-CZ3 3.91Å; F933-W956 HydrophobicContact CE2-CE3 4.17Å; F933-W956 AromaticContact CE2-CZ3 3.61Å; F933-W956 HydrophobicContact CE2-CZ3 3.61Å; F933-W956 AromaticContact CG-CH2 3.99Å; F933-W956 HydrophobicContact CG-CH2 3.99Å; F933-W956 AromaticContact CG-CZ3 3.69Å; F933-W956 HydrophobicContact CG-CZ3 3.69Å; F933-W956 HydrophobicContact CZ-CE3 4.31Å; F933-W956 AromaticContact CZ-CZ3 3.74Å; F933-W956 HydrophobicContact CZ-CZ3 3.74Å; S952-W956 WeakPolarHBondContact O-CB 3.31Å; S952-W956 PolarHBondContact O-N 2.95Å; L953-W956 PolarHBondContact O-N 2.75Å; W956-K959 PolarHBondContact O-N 2.8Å; W956-M960 HydrophobicContact CD2-CB 4.5Å; W956-M960 HydrophobicContact CE3-CB 4.36Å; W956-M960 HydrophobicContact CH2-CB 4.12Å; W956-M960 HydrophobicContact CH2-CG 3.92Å; W956-M960 HydrophobicContact CZ2-CB 4.25Å; W956-M960 HydrophobicContact CZ2-CG 4.23Å; W956-M960 HydrophobicContact CZ3-CB 4.17Å; W956-M960 HydrophobicContact CZ3-CE 4.44Å; W956-M960 HydrophobicContact CZ3-CG 4.32Å; W956-M960 VanDerWaalsContact O-CB 3.28Å; W956-M960 WeakPolarHBondContact O-CB 3.43Å; W956-M960 PolarHBondContact O-N 3.09Å |
| 957 | H | 92.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 179.2 | -179.6 | -165 | 0 | 0 | 0 | 111.4 | V665 R667 F933 F945 L953 N954 E955 K959 M960 L961 | V665-H957 PolarHBondContact O-CE1 2.94Å; V665-H957 VanDerWaalsContact O-CE1 3.3Å; V665-H957 PolarHBondContact O-NE2 3.25Å; R667-H957 PolarHBondContact NE-CE1 3.43Å; R667-H957 PolarHBondContact NH2-ND1 3.32Å; F933-H957 AromaticContact CE1-CD2 3.6Å; F933-H957 AromaticContact CE1-NE2 3.8Å; F933-H957 HydrophobicContact CZ-CB 4.04Å; F933-H957 AromaticContact CZ-CD2 3.81Å; F933-H957 AromaticContact CZ-CG 3.75Å; F945-H957 AromaticContact CD1-ND1 3.83Å; F945-H957 HydrophobicContact CE1-CB 4.1Å; F945-H957 AromaticContact CE1-CE1 3.99Å; F945-H957 AromaticContact CE1-CG 3.91Å; F945-H957 AromaticContact CE1-ND1 3.24Å; F945-H957 WeakPolarHBondContact CE1-ND1 3.49Å; F945-H957 AromaticContact CZ-CE1 3.96Å; F945-H957 AromaticContact CZ-ND1 3.66Å; L953-H957 VanDerWaalsContact O-CB 3.31Å; L953-H957 WeakPolarHBondContact O-CB 3.38Å; L953-H957 PolarHBondContact O-N 2.83Å; N954-H957 PolarHBondContact O-N 3.14Å; E955-H957 VanDerWaalsContact C-N 3.32Å; E955-H957 PolarHBondContact O-N 2.92Å; H957-K959 VanDerWaalsContact C-N 3.29Å; H957-K959 PolarHBondContact O-N 2.82Å; H957-M960 PolarHBondContact O-N 2.87Å; H957-L961 WeakPolarHBondContact O-CG 3.36Å; H957-L961 PolarHBondContact O-N 3.04Å |
| 958 | T | 93 | Very high | 88.8 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | R667 N954 E955 M960 L961 E962 | R667-T958 PolarHBondContact NH1-OG1 2.95Å; N954-T958 PolarHBondContact O-N 3.36Å; N954-T958 PolarHBondContact O-OG1 3.4Å; E955-T958 PolarHBondContact O-N 3.36Å; T958-M960 VanDerWaalsContact C-N 3.34Å; T958-M960 PolarHBondContact O-N 3.37Å; T958-L961 PolarHBondContact O-N 3Å; T958-E962 PolarHBondContact O-N 3.4Å |
| 959 | K | 96.6 | Very high | 90.6 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -37.4 | 179.1 | -169.3 | 57.1 | 177.8 | 178 | 0 | 112.9 | L132 E955 W956 H957 L961 E962 V963 | L132-K959 HydrophobicContact CD2-CB 4.16Å; L132-K959 HydrophobicContact CD2-CG 4.06Å; E955-K959 WeakPolarHBondContact O-CB 3.22Å; E955-K959 PolarHBondContact O-N 2.85Å; W956-K959 PolarHBondContact O-N 2.8Å; H957-K959 VanDerWaalsContact C-N 3.29Å; H957-K959 PolarHBondContact O-N 2.82Å; K959-L961 VanDerWaalsContact C-N 3.33Å; K959-E962 VanDerWaalsContact CD-OE2 3.23Å; K959-E962 WeakPolarHBondContact CD-OE2 3.23Å; K959-E962 IonicContact NZ-OE2 2.61Å; K959-E962 PolarHBondContact NZ-OE2 3.47Å; K959-E962 PolarHBondContact O-N 3.08Å; K959-V963 WeakPolarHBondContact O-CG2 3.34Å; K959-V963 PolarHBondContact O-N 3.44Å |
| 960 | M | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.6 | 179.2 | -80.2 | -78.5 | 0 | 0 | 110.8 | L132 L930 F933 W956 H957 T958 V963 L964 | L132-M960 HydrophobicContact CD1-CB 4.29Å; L132-M960 HydrophobicContact CD2-CB 4.19Å; L930-M960 HydrophobicContact CD2-CE 4.15Å; L930-M960 HydrophobicContact CD2-CG 4.03Å; L930-M960 HydrophobicContact CD2-SD 3.4Å; L930-M960 WeakPolarHBondContact CD2-SD 3.19Å; F933-M960 HydrophobicContact CD1-CE 3.72Å; F933-M960 HydrophobicContact CE1-CE 3.68Å; W956-M960 HydrophobicContact CD2-CB 4.5Å; W956-M960 HydrophobicContact CE3-CB 4.36Å; W956-M960 HydrophobicContact CH2-CB 4.12Å; W956-M960 HydrophobicContact CH2-CG 3.92Å; W956-M960 HydrophobicContact CZ2-CB 4.25Å; W956-M960 HydrophobicContact CZ2-CG 4.23Å; W956-M960 HydrophobicContact CZ3-CB 4.17Å; W956-M960 HydrophobicContact CZ3-CE 4.44Å; W956-M960 HydrophobicContact CZ3-CG 4.32Å; W956-M960 VanDerWaalsContact O-CB 3.28Å; W956-M960 WeakPolarHBondContact O-CB 3.43Å; W956-M960 PolarHBondContact O-N 3.09Å; H957-M960 PolarHBondContact O-N 2.87Å; T958-M960 VanDerWaalsContact C-N 3.34Å; T958-M960 PolarHBondContact O-N 3.37Å; M960-V963 PolarHBondContact O-N 3.21Å; M960-L964 WeakPolarHBondContact O-CB 3.28Å; M960-L964 PolarHBondContact O-N 3.43Å; M960-L964 HydrophobicContact SD-CB 4.28Å; M960-L964 HydrophobicContact SD-CD2 4.31Å |
| 961 | L | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 178.9 | -65.2 | 176.5 | 0 | 0 | 0 | 112.9 | F666 R667 F784 H957 T958 K959 L964 S965 | F666-L961 HydrophobicContact CB-CD2 4.26Å; F666-L961 HydrophobicContact CD1-CD2 3.91Å; F666-L961 HydrophobicContact CG-CD2 4.33Å; R667-L961 HydrophobicContact CB-CD1 4.23Å; R667-L961 HydrophobicContact CG-CD1 3.86Å; F784-L961 HydrophobicContact CD1-CB 4.26Å; F784-L961 HydrophobicContact CD2-CB 3.85Å; F784-L961 HydrophobicContact CD2-CD1 3.62Å; F784-L961 HydrophobicContact CD2-CG 4.33Å; F784-L961 HydrophobicContact CE1-CB 3.79Å; F784-L961 HydrophobicContact CE2-CB 3.35Å; F784-L961 HydrophobicContact CE2-CD1 3.61Å; F784-L961 HydrophobicContact CE2-CG 4.13Å; F784-L961 HydrophobicContact CG-CB 4.3Å; F784-L961 HydrophobicContact CZ-CB 3.32Å; F784-L961 HydrophobicContact CZ-CD1 4.46Å; H957-L961 WeakPolarHBondContact O-CG 3.36Å; H957-L961 PolarHBondContact O-N 3.04Å; T958-L961 PolarHBondContact O-N 3Å; K959-L961 VanDerWaalsContact C-N 3.33Å; L961-L964 HydrophobicContact CD2-CD2 4.28Å; L961-L964 PolarHBondContact O-N 2.95Å; L961-S965 WeakPolarHBondContact O-CB 3.37Å; L961-S965 PolarHBondContact O-N 3.2Å |
| 962 | E | 97.5 | Very high | 93.2 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 35% | 0.346 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -53 | 171.9 | -71 | 174.2 | -173.2 | 0 | 0 | 111 | F784 T958 K959 L964 S965 E966 | F784-E962 HydrophobicContact CZ-CG 4.24Å; T958-E962 PolarHBondContact O-N 3.4Å; K959-E962 VanDerWaalsContact CD-OE2 3.23Å; K959-E962 WeakPolarHBondContact CD-OE2 3.23Å; K959-E962 IonicContact NZ-OE2 2.61Å; K959-E962 PolarHBondContact NZ-OE2 3.47Å; K959-E962 PolarHBondContact O-N 3.08Å; E962-L964 VanDerWaalsContact C-N 3.35Å; E962-L964 PolarHBondContact O-N 3.49Å; E962-S965 WeakPolarHBondContact O-CB 3.44Å; E962-S965 PolarHBondContact O-N 3.37Å; E962-S965 PolarHBondContact O-OG 2.98Å; E962-E966 PolarHBondContact O-N 3.48Å |
| 963 | V | 98 | Very high | 93 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L125 K128 M129 L132 F926 K959 M960 S965 E966 V967 | L125-V963 HydrophobicContact CD1-CG1 3.91Å; K128-V963 HydrophobicContact CB-CG1 4.43Å; K128-V963 HydrophobicContact CB-CG2 3.76Å; K128-V963 HydrophobicContact CD-CG2 4.02Å; K128-V963 HydrophobicContact CG-CG2 4.4Å; M129-V963 HydrophobicContact CG-CG1 3.78Å; L132-V963 HydrophobicContact CD1-CB 3.59Å; L132-V963 HydrophobicContact CD1-CG1 3.83Å; L132-V963 HydrophobicContact CD1-CG2 3.62Å; F926-V963 HydrophobicContact CZ-CG1 4.34Å; K959-V963 WeakPolarHBondContact O-CG2 3.34Å; K959-V963 PolarHBondContact O-N 3.44Å; M960-V963 PolarHBondContact O-N 3.21Å; V963-S965 VanDerWaalsContact C-N 3.27Å; V963-S965 PolarHBondContact O-N 2.71Å; V963-E966 PolarHBondContact O-N 2.69Å; V963-E966 VanDerWaalsContact O-N 3.16Å; V963-V967 HydrophobicContact CG1-CG2 4.02Å; V963-V967 WeakPolarHBondContact O-CB 3.31Å; V963-V967 VanDerWaalsContact O-CG2 3.25Å; V963-V967 WeakPolarHBondContact O-CG2 3.28Å; V963-V967 PolarHBondContact O-N 2.87Å |
| 964 | L | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 176.4 | 178.5 | 63.5 | 0 | 0 | 0 | 110.3 | F666 L882 F883 F926 L930 M960 L961 E962 E966 V967 V968 | F666-L964 HydrophobicContact CD1-CD2 4.19Å; F666-L964 HydrophobicContact CD2-CD2 4.28Å; F666-L964 HydrophobicContact CE1-CD2 3.96Å; F666-L964 HydrophobicContact CE2-CD2 4.07Å; F666-L964 HydrophobicContact CG-CD2 4.38Å; F666-L964 HydrophobicContact CZ-CD2 3.92Å; L882-L964 HydrophobicContact CD1-CD1 4.4Å; F883-L964 HydrophobicContact CE2-CD1 3.89Å; F883-L964 HydrophobicContact CZ-CD1 3.7Å; F883-L964 HydrophobicContact CZ-CD2 4.26Å; F926-L964 HydrophobicContact CE1-CD1 4.1Å; L930-L964 HydrophobicContact CD1-CD1 4.1Å; L930-L964 HydrophobicContact CD2-CD1 4.46Å; L930-L964 HydrophobicContact CD2-CD2 4.5Å; M960-L964 WeakPolarHBondContact O-CB 3.28Å; M960-L964 PolarHBondContact O-N 3.43Å; M960-L964 HydrophobicContact SD-CB 4.28Å; M960-L964 HydrophobicContact SD-CD2 4.31Å; L961-L964 HydrophobicContact CD2-CD2 4.28Å; L961-L964 PolarHBondContact O-N 2.95Å; E962-L964 VanDerWaalsContact C-N 3.35Å; E962-L964 PolarHBondContact O-N 3.49Å; L964-E966 VanDerWaalsContact C-N 3.29Å; L964-E966 PolarHBondContact O-N 3.2Å; L964-V967 PolarHBondContact O-N 2.86Å; L964-V967 VanDerWaalsContact O-N 3.15Å; L964-V968 HydrophobicContact CD1-CG1 3.65Å; L964-V968 HydrophobicContact CG-CG1 4.24Å; L964-V968 VanDerWaalsContact O-CG2 3.3Å; L964-V968 WeakPolarHBondContact O-CG2 3.48Å; L964-V968 PolarHBondContact O-N 3.17Å |
| 965 | S | 97.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -35.2 | 179.7 | 81.2 | 0 | 0 | 0 | 0 | 113.2 | L961 E962 V963 A969 | L961-S965 WeakPolarHBondContact O-CB 3.37Å; L961-S965 PolarHBondContact O-N 3.2Å; E962-S965 WeakPolarHBondContact O-CB 3.44Å; E962-S965 PolarHBondContact O-N 3.37Å; E962-S965 PolarHBondContact O-OG 2.98Å; V963-S965 VanDerWaalsContact C-N 3.27Å; V963-S965 PolarHBondContact O-N 2.71Å; S965-A969 VanDerWaalsContact O-CB 3.31Å; S965-A969 WeakPolarHBondContact O-CB 3.45Å |
| 966 | E | 97.4 | Very high | 89.7 | Confident | 74 Ų | 74 | 40.6 Ų | 40.6 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.1 | -44.5 | 173.1 | -65.6 | 179.4 | -125.5 | 0 | 0 | 111 | L125 K128 E962 V963 L964 A969 | L125-E966 HydrophobicContact CD1-CB 3.78Å; L125-E966 HydrophobicContact CD2-CB 4.18Å; K128-E966 VanDerWaalsContact NZ-CD 3.31Å; K128-E966 IonicContact NZ-OE1 3.88Å; K128-E966 PolarHBondContact NZ-OE1 3.15Å; K128-E966 IonicContact NZ-OE2 3.36Å; K128-E966 PolarHBondContact NZ-OE2 3.46Å; E962-E966 PolarHBondContact O-N 3.48Å; V963-E966 PolarHBondContact O-N 2.69Å; V963-E966 VanDerWaalsContact O-N 3.16Å; L964-E966 VanDerWaalsContact C-N 3.29Å; L964-E966 PolarHBondContact O-N 3.2Å; E966-A969 PolarHBondContact O-N 2.94Å |
| 967 | V | 96.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | -177.3 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | L125 M129 I878 L882 F926 V963 L964 A969 L970 | L125-V967 HydrophobicContact CD1-CG2 4Å; L125-V967 HydrophobicContact CD2-CB 4.48Å; L125-V967 HydrophobicContact CD2-CG2 3.67Å; L125-V967 HydrophobicContact CG-CG2 3.84Å; M129-V967 HydrophobicContact CE-CG2 4.41Å; M129-V967 HydrophobicContact CG-CG2 4.02Å; M129-V967 HydrophobicContact SD-CG2 3.67Å; I878-V967 HydrophobicContact CG2-CG1 3.55Å; L882-V967 HydrophobicContact CD1-CG1 3.9Å; F926-V967 HydrophobicContact CE1-CG1 4.3Å; F926-V967 HydrophobicContact CE1-CG2 4.38Å; V963-V967 HydrophobicContact CG1-CG2 4.02Å; V963-V967 WeakPolarHBondContact O-CB 3.31Å; V963-V967 VanDerWaalsContact O-CG2 3.25Å; V963-V967 WeakPolarHBondContact O-CG2 3.28Å; V963-V967 PolarHBondContact O-N 2.87Å; L964-V967 PolarHBondContact O-N 2.86Å; L964-V967 VanDerWaalsContact O-N 3.15Å; V967-A969 PolarHBondContact O-N 2.83Å; V967-L970 WeakPolarHBondContact O-CB 3.45Å; V967-L970 VanDerWaalsContact O-CG 3.31Å; V967-L970 WeakPolarHBondContact O-CG 3.32Å; V967-L970 PolarHBondContact O-N 3.07Å |
| 968 | V | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.9 | -16.9 | -179 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | D789 V790 A793 S876 V879 F883 L964 | D789-V968 HydrophobicContact CB-CB 4.31Å; D789-V968 HydrophobicContact CB-CG2 3.61Å; V790-V968 HydrophobicContact CG2-CG2 4.23Å; A793-V968 HydrophobicContact CB-CG1 4.28Å; S876-V968 WeakPolarHBondContact CB-O 3.38Å; V879-V968 HydrophobicContact CG2-CB 3.69Å; V879-V968 HydrophobicContact CG2-CG1 3.99Å; F883-V968 HydrophobicContact CE2-CG1 4.07Å; L964-V968 HydrophobicContact CD1-CG1 3.65Å; L964-V968 HydrophobicContact CG-CG1 4.24Å; L964-V968 VanDerWaalsContact O-CG2 3.3Å; L964-V968 WeakPolarHBondContact O-CG2 3.48Å; L964-V968 PolarHBondContact O-N 3.17Å |
| 969 | A | 93.3 | Very high | 84.3 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S965 E966 V967 K971 | S965-A969 VanDerWaalsContact O-CB 3.31Å; S965-A969 WeakPolarHBondContact O-CB 3.45Å; E966-A969 PolarHBondContact O-N 2.94Å; V967-A969 PolarHBondContact O-N 2.83Å; A969-K971 PolarHBondContact O-N 2.75Å |
| 970 | L | 93.4 | Very high | 81.8 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 125 | 177.3 | -68.4 | 175.8 | 0 | 0 | 0 | 110.7 | V119 I121 P122 L125 S876 I878 V967 | V119-L970 HydrophobicContact CG1-CB 4.03Å; V119-L970 HydrophobicContact CG1-CD1 4.24Å; I121-L970 HydrophobicContact CG1-CD1 4.24Å; I121-L970 HydrophobicContact CG2-CD1 4.36Å; P122-L970 HydrophobicContact CG-CD2 4.37Å; L125-L970 HydrophobicContact CD2-CD1 4.18Å; L125-L970 HydrophobicContact CD2-CD2 4.31Å; L125-L970 HydrophobicContact CD2-CG 4.43Å; S876-L970 VanDerWaalsContact CB-O 3.3Å; S876-L970 WeakPolarHBondContact CB-O 3.35Å; S876-L970 PolarHBondContact OG-O 3.42Å; I878-L970 HydrophobicContact CG1-CB 4.42Å; V967-L970 WeakPolarHBondContact O-CB 3.45Å; V967-L970 VanDerWaalsContact O-CG 3.31Å; V967-L970 WeakPolarHBondContact O-CG 3.32Å; V967-L970 PolarHBondContact O-N 3.07Å |
| 971 | K | 87.8 | Confident | 79.1 | Confident | 142 Ų | 142 | 53.4 Ų | 53.4 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 148 | 178.6 | -63.1 | 179.4 | 179.8 | 178.6 | 0 | 110.3 | W849 A969 | W849-K971 HydrophobicContact CB-CD 4.11Å; W849-K971 HydrophobicContact CB-CG 4.43Å; A969-K971 PolarHBondContact O-N 2.75Å |
| 972 | Q | 87.4 | Confident | 76.2 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 154.4 | 168.6 | 63.2 | -178.8 | 73.4 | 0 | 0 | 111.1 | P117 K118 V119 W849 S850 P877 | P117-Q972 HydrophobicContact CB-CB 4.04Å; P117-Q972 HydrophobicContact CB-CG 4.36Å; K118-Q972 CarbonylContact O-C 3.54Å; K118-Q972 VanDerWaalsContact O-CA 3.29Å; K118-Q972 WeakPolarHBondContact O-CA 3.45Å; V119-Q972 HydrophobicContact CG2-CB 3.95Å; W849-Q972 WeakPolarHBondContact O-CG 3.47Å; S850-Q972 PolarHBondContact OG-OE1 3.2Å; P877-Q972 HydrophobicContact CG-CB 4.35Å |
| 973 | S | 80.7 | Confident | 73.6 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139 | 168.2 | 65.3 | 0 | 0 | 0 | 0 | 110 | K118 A975 | K118-S973 WeakPolarHBondContact CB-OG 3.26Å; K118-S973 PolarHBondContact N-OG 3.01Å; K118-S973 PolarHBondContact O-N 3.5Å; K118-S973 PolarHBondContact O-OG 3.08Å; S973-A975 PolarHBondContact O-N 3.45Å |
| 974 | K | 66.5 | Low | 70.9 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | trans | -80 | 103 | 168.5 | -68.6 | -168.1 | -178 | -162.6 | 0 | 107.8 | A846 W848 | A846-K974 PolarHBondContact O-NZ 2.75Å; A846-K974 VanDerWaalsContact O-NZ 3.1Å; W848-K974 WeakPolarHBondContact O-CE 3.47Å; W848-K974 PolarHBondContact O-NZ 2.68Å | ||
| 975 | A | 62.5 | Low | 67.9 | Low | 50 Ų | 50 | 61.8 Ų | 61.8 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | trans | -80.4 | 120.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | F112 S973 | F112-A975 HydrophobicContact CE2-CB 3.75Å; F112-A975 HydrophobicContact CZ-CB 3.87Å; F112-A975 WeakPolarHBondContact CZ-O 3.49Å; S973-A975 PolarHBondContact O-N 3.45Å | ||
| 976 | N | 61.7 | Low | 64.7 | Low | 79 Ų | 79 | 70 Ų | 70 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | trans | -101.4 | 130.9 | 168 | -74.7 | -23.7 | 0 | 0 | 0 | 107.6 | H978 | N976-H978 PolarHBondContact O-N 3.14Š| ||
| 977 | F | 60.2 | Low | 61.3 | Low | 36 Ų | 36 | 71.4 Ų | 71.4 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | trans | -72.7 | 100.5 | 165.6 | -174 | -107.8 | 0 | 0 | 0 | 106.6 | E108 F109 F112 I817 C979 | E108-F977 HydrophobicContact CG-CE2 4.26Å; F109-F977 HydrophobicContact CB-CE1 4.11Å; F109-F977 HydrophobicContact CB-CE2 3.99Å; F109-F977 HydrophobicContact CB-CZ 3.67Å; F109-F977 AromaticContact CD2-CD1 3.65Å; F109-F977 HydrophobicContact CD2-CD1 3.65Å; F109-F977 HydrophobicContact CD2-CD2 4.15Å; F109-F977 AromaticContact CD2-CE1 3.72Å; F109-F977 HydrophobicContact CD2-CE1 3.72Å; F109-F977 HydrophobicContact CD2-CE2 4.22Å; F109-F977 AromaticContact CD2-CG 3.86Å; F109-F977 HydrophobicContact CD2-CG 3.86Å; F109-F977 HydrophobicContact CD2-CZ 4.01Å; F109-F977 HydrophobicContact CE2-CD1 4.28Å; F109-F977 HydrophobicContact CE2-CG 4.46Å; F109-F977 HydrophobicContact CG-CE1 4.37Å; F109-F977 HydrophobicContact CG-CZ 4.35Å; F112-F977 HydrophobicContact CB-CD2 3.63Å; F112-F977 HydrophobicContact CB-CE2 4.12Å; F112-F977 HydrophobicContact CD1-CB 3.66Å; F112-F977 AromaticContact CD1-CD2 3.93Å; F112-F977 HydrophobicContact CD1-CD2 3.93Å; F112-F977 HydrophobicContact CD1-CG 4.14Å; F112-F977 HydrophobicContact CD2-CB 4.18Å; F112-F977 AromaticContact CD2-CD2 3.92Å; F112-F977 HydrophobicContact CD2-CD2 3.92Å; F112-F977 HydrophobicContact CE1-CB 3.59Å; F112-F977 HydrophobicContact CE2-CB 4.08Å; F112-F977 HydrophobicContact CG-CB 3.98Å; F112-F977 AromaticContact CG-CD2 3.53Å; F112-F977 HydrophobicContact CG-CD2 3.53Å; F112-F977 HydrophobicContact CG-CE2 4.48Å; F112-F977 HydrophobicContact CG-CG 4.18Å; F112-F977 HydrophobicContact CZ-CB 3.8Å; I817-F977 HydrophobicContact CD1-CE1 4.15Å; I817-F977 HydrophobicContact CD1-CZ 4.49Å; F977-C979 HydrophobicContact CD1-CB 4.29Å; F977-C979 HydrophobicContact CE1-CB 3.82Å; F977-C979 PolarHBondContact O-N 3.47Å | ||
| 978 | H | 56.1 | Low | 57.9 | Low | 149 Ų | 149 | 81.4 Ų | 81.4 | 69% | 0.69 | 44% | 0.437 | S | S | * | . | trans | -82.5 | 102.6 | 164.3 | -68.1 | -69.1 | 0 | 0 | 0 | 105.7 | N976 S980 | N976-H978 PolarHBondContact O-N 3.14Å; H978-S980 PolarHBondContact O-N 3.33Å | ||
| 979 | C | 49.1 | Very low | 54.6 | Low | 34 Ų | 34 | 87.4 Ų | 87.4 | 23% | 0.23 | 48% | 0.478 | C | S | . | . | trans | -57.9 | 133.3 | 164.7 | -153 | 0 | 0 | 0 | 0 | 106.1 | F977 D981 | F977-C979 HydrophobicContact CD1-CB 4.29Å; F977-C979 HydrophobicContact CE1-CB 3.82Å; F977-C979 PolarHBondContact O-N 3.47Å; C979-D981 PolarHBondContact O-N 3.2Å | ||
| 980 | S | 43.7 | Very low | 51.4 | Low | 75 Ų | 75 | 94.2 Ų | 94.2 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | trans | -66.5 | 74.4 | 169.2 | 54.3 | 0 | 0 | 0 | 0 | 108.4 | H978 S982 | H978-S980 PolarHBondContact O-N 3.33Å; S980-S982 WeakPolarHBondContact O-CA 3.49Å; S980-S982 PolarHBondContact O-N 3.33Å | ||
| 981 | D | 39.9 | Very low | 49.3 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 65% | 0.647 | 54% | 0.542 | S | S | * | . | trans | 38.1 | 56 | 152.7 | -102.8 | 12.2 | 0 | 0 | 0 | 112.6 | C979 I983 S985 | C979-D981 PolarHBondContact O-N 3.2Å; D981-I983 PolarHBondContact O-N 3.26Å; D981-S985 VanDerWaalsContact CB-CB 3.49Å; D981-S985 WeakPolarHBondContact CB-OG 3.33Å; D981-S985 PolarHBondContact O-OG 3.42Å; D981-S985 WeakPolarHBondContact OD2-CB 3.48Å; D981-S985 PolarHBondContact OD2-OG 3.35Å | ||
| 982 | S | 37.5 | Very low | 47.3 | Very low | 17 Ų | 17 | 95.4 Ų | 95.4 | 12% | 0.119 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 114.6 | -164.8 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | E105 S980 L984 | E105-S982 WeakPolarHBondContact OE1-CB 3.23Å; S980-S982 WeakPolarHBondContact O-CA 3.49Å; S980-S982 PolarHBondContact O-N 3.33Å; S982-L984 WeakPolarHBondContact O-CB 3.34Å; S982-L984 PolarHBondContact O-N 3.02Å |
| 983 | I | 42.9 | Very low | 45.1 | Very low | 80 Ų | 80 | 99.6 Ų | 99.6 | 41% | 0.41 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 54.9 | -12.6 | 178 | -55 | 178.6 | 0 | 0 | 0 | 115.4 | P59 V91 D981 | P59-I983 HydrophobicContact CB-CG2 4.09Å; V91-I983 HydrophobicContact CG2-CD1 4.49Å; V91-I983 HydrophobicContact CG2-CG2 4.08Å; D981-I983 PolarHBondContact O-N 3.26Å |
| 984 | L | 40.3 | Very low | 43 | Very low | 106 Ų | 106 | 102.2 Ų | 102.2 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 2.3 | -169.5 | -82.6 | 159.7 | 0 | 0 | 0 | 113.6 | W58 S982 | W58-L984 VanDerWaalsContact CE2-CD2 3.47Å; W58-L984 HydrophobicContact CH2-CD2 4.25Å; W58-L984 HydrophobicContact CZ2-CD2 3.21Å; W58-L984 HydrophobicContact CZ2-CG 3.77Å; S982-L984 WeakPolarHBondContact O-CB 3.34Å; S982-L984 PolarHBondContact O-N 3.02Å |
| 985 | S | 34.9 | Very low | 41.5 | Very low | 47 Ų | 47 | 101.2 Ų | 101.2 | 33% | 0.329 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -105.5 | 129.2 | 173.5 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | D981 S987 | D981-S985 VanDerWaalsContact CB-CB 3.49Å; D981-S985 WeakPolarHBondContact CB-OG 3.33Å; D981-S985 PolarHBondContact O-OG 3.42Å; D981-S985 WeakPolarHBondContact OD2-CB 3.48Å; D981-S985 PolarHBondContact OD2-OG 3.35Å; S985-S987 PolarHBondContact O-N 2.97Å |
| 986 | E | 31.3 | Very low | 40.1 | Very low | 195 Ų | 195 | 104.6 Ų | 104.6 | 91% | 0.911 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -59.4 | 97.9 | 173 | -63.4 | 169.2 | 154.5 | 0 | 0 | 110.3 | ||
| 987 | S | 25.6 | Very low | 38.6 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | trans | 162 | 89.1 | 142 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | S985 | S985-S987 PolarHBondContact O-N 2.97Š| ||
| 988 | K | 25 | Very low | 36.9 | Very low | 210 Ų | 210 | 111.8 Ų | 111.8 | 91% | 0.913 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -134.7 | 57.3 | 147.8 | -84.4 | -168.6 | -179.8 | 173.6 | 0 | 109.7 | ||
| 989 | C | 26.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | trans | -156.9 | 94.1 | 152.2 | -103.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 990 | S | 27.3 | Very low | 34.1 | Very low | 190 Ų | 190 | 115.5 Ų | 115.5 | 100% | 1.329 | 67% | 0.665 | S | S | * | * | trans | -59.8 | 0 | 149 | 56.1 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 990 of 990 residues in 2471 ms
(Link to these results)