| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.8 | Low | 76.1 | Confident | 200 Ų | 200 | 114.5 Ų | 114.5 | 99% | 0.985 | 55% | 0.549 | S | S | * | . | 0 | -59.7 | 0 | -122.5 | 172.5 | -168.2 | 0 | 0 | 113.9 | K3 K4 L5 | M1-K3 PolarHBondContact O-N 2.93Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-K4 WeakPolarHBondContact O-CA 3.42Å; M1-K4 WeakPolarHBondContact O-CB 3.17Å; M1-K4 PolarHBondContact O-N 3.03Å; M1-L5 PolarHBondContact O-N 2.65Å; M1-L5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | I | 76.1 | Confident | 76.2 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 61% | 0.605 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.6 | -41.4 | -169 | -59.9 | 170.6 | 0 | 0 | 0 | 114.5 | K4 L5 K6 | I2-K4 PolarHBondContact O-N 3.18Å; I2-L5 PolarHBondContact O-N 3.42Å; I2-K6 HydrophobicContact CG2-CD 4.2Å; I2-K6 HydrophobicContact CG2-CG 4.35Å; I2-K6 WeakPolarHBondContact O-CB 3.36Å; I2-K6 WeakPolarHBondContact O-CG 3.3Å; I2-K6 PolarHBondContact O-N 3.16Å |
| 3 | K | 76.2 | Confident | 75.6 | Confident | 176 Ų | 176 | 110.5 Ų | 110.5 | 77% | 0.765 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -41 | 175.1 | -73.2 | -173.8 | 178.5 | -179.7 | 0 | 112.7 | M1 K6 N7 | M1-K3 PolarHBondContact O-N 2.93Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-K6 PolarHBondContact O-N 3.37Å; K3-N7 WeakPolarHBondContact O-CB 3.48Å; K3-N7 VanDerWaalsContact O-CG 3.24Å; K3-N7 PolarHBondContact O-N 3.17Å; K3-N7 PolarHBondContact O-OD1 3.22Å |
| 4 | K | 79.1 | Confident | 75.5 | Confident | 165 Ų | 165 | 112.1 Ų | 112.1 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -44.3 | 174.2 | -73.2 | -170.5 | 176.6 | -176.6 | 0 | 111 | M1 I2 K6 N7 I8 | M1-K4 WeakPolarHBondContact O-CA 3.42Å; M1-K4 WeakPolarHBondContact O-CB 3.17Å; M1-K4 PolarHBondContact O-N 3.03Å; I2-K4 PolarHBondContact O-N 3.18Å; K4-K6 PolarHBondContact O-N 3.46Å; K4-N7 PolarHBondContact O-N 3.18Å; K4-I8 WeakPolarHBondContact O-CB 3.31Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.21Å; K4-I8 PolarHBondContact O-N 2.71Å |
| 5 | L | 77.9 | Confident | 75.3 | Confident | 104 Ų | 104 | 114.1 Ų | 114.1 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -42.8 | 175.1 | -76.2 | 166.5 | 0 | 0 | 0 | 112.6 | M1 I2 I8 A9 | M1-L5 PolarHBondContact O-N 2.65Å; M1-L5 VanDerWaalsContact O-N 3.12Å; I2-L5 PolarHBondContact O-N 3.42Å; L5-I8 PolarHBondContact O-N 3.41Å; L5-A9 WeakPolarHBondContact O-CB 3.33Å; L5-A9 PolarHBondContact O-N 3.11Å |
| 6 | K | 77.4 | Confident | 75.3 | Confident | 97 Ų | 97 | 112.9 Ų | 112.9 | 42% | 0.422 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.4 | -45.5 | 173.1 | -75.3 | 179.1 | 177.9 | -178.8 | 0 | 111.3 | I2 K3 K4 A9 I10 | I2-K6 HydrophobicContact CG2-CD 4.2Å; I2-K6 HydrophobicContact CG2-CG 4.35Å; I2-K6 WeakPolarHBondContact O-CB 3.36Å; I2-K6 WeakPolarHBondContact O-CG 3.3Å; I2-K6 PolarHBondContact O-N 3.16Å; K3-K6 PolarHBondContact O-N 3.37Å; K4-K6 PolarHBondContact O-N 3.46Å; K6-A9 PolarHBondContact O-N 2.93Å; K6-I10 VanDerWaalsContact O-CG1 3.26Å; K6-I10 WeakPolarHBondContact O-CG1 3.38Å; K6-I10 PolarHBondContact O-N 3.27Å |
| 7 | N | 77.3 | Confident | 75.5 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 178.7 | -69 | 5.6 | 0 | 0 | 0 | 112.5 | K3 K4 I10 K11 | K3-N7 WeakPolarHBondContact O-CB 3.48Å; K3-N7 VanDerWaalsContact O-CG 3.24Å; K3-N7 PolarHBondContact O-N 3.17Å; K3-N7 PolarHBondContact O-OD1 3.22Å; K4-N7 PolarHBondContact O-N 3.18Å; N7-I10 PolarHBondContact O-N 3.46Å; N7-K11 WeakPolarHBondContact O-CG 3.48Å; N7-K11 PolarHBondContact O-N 3.34Å |
| 8 | I | 81.5 | Confident | 75.6 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 172.3 | -70.1 | 163 | 0 | 0 | 0 | 110 | K4 L5 I10 K11 L12 | K4-I8 WeakPolarHBondContact O-CB 3.31Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.21Å; K4-I8 PolarHBondContact O-N 2.71Å; L5-I8 PolarHBondContact O-N 3.41Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.34Å; I8-K11 PolarHBondContact O-N 3.13Å; I8-K11 VanDerWaalsContact O-N 3.13Å; I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.13Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.01Å |
| 9 | A | 78.7 | Confident | 75.6 | Confident | 21 Ų | 21 | 105.8 Ų | 105.8 | 17% | 0.174 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L5 K6 G13 I14 R15 | L5-A9 WeakPolarHBondContact O-CB 3.33Å; L5-A9 PolarHBondContact O-N 3.11Å; K6-A9 PolarHBondContact O-N 2.93Å; A9-G13 PolarHBondContact O-N 3.3Å; A9-G13 VanDerWaalsContact O-N 3.12Å; A9-I14 HydrophobicContact CB-CB 4.24Å; A9-I14 PolarHBondContact O-N 3.12Å; A9-R15 HydrophobicContact CB-CB 4.3Å; A9-R15 PolarHBondContact O-N 3.5Å |
| 10 | I | 78.8 | Confident | 75.8 | Confident | 16 Ų | 16 | 103.3 Ų | 103.3 | 8% | 0.082 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 172.6 | -66.4 | 162.1 | 0 | 0 | 0 | 111 | K6 N7 I8 G13 R15 P17 Y40 K44 | K6-I10 VanDerWaalsContact O-CG1 3.26Å; K6-I10 WeakPolarHBondContact O-CG1 3.38Å; K6-I10 PolarHBondContact O-N 3.27Å; N7-I10 PolarHBondContact O-N 3.46Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.34Å; I10-G13 PolarHBondContact O-N 3.29Å; I10-R15 WeakPolarHBondContact CA-O 3.37Å; I10-R15 HydrophobicContact CG1-CB 4.14Å; I10-P17 HydrophobicContact CG2-CB 4.23Å; I10-Y40 HydrophobicContact CG2-CE1 4.39Å; I10-K44 WeakPolarHBondContact O-CE 3.14Å; I10-K44 PolarHBondContact O-NZ 2.77Å |
| 11 | K | 77.1 | Confident | 76.2 | Confident | 172 Ų | 172 | 105 Ų | 105 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -50.1 | 174.2 | -79.5 | -170.1 | 173.9 | -167.8 | 0 | 111.2 | N7 I8 G13 K44 | N7-K11 WeakPolarHBondContact O-CG 3.48Å; N7-K11 PolarHBondContact O-N 3.34Å; I8-K11 PolarHBondContact O-N 3.13Å; I8-K11 VanDerWaalsContact O-N 3.13Å; K11-G13 PolarHBondContact O-N 2.91Å; K11-K44 PolarHBondContact O-NZ 3.38Å |
| 12 | L | 77.6 | Confident | 77.6 | Confident | 124 Ų | 124 | 101 Ų | 101 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7.8 | 175.7 | -66.3 | 174.1 | 0 | 0 | 0 | 114.5 | I8 I14 | I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.13Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.01Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 HydrophobicContact CB-CD1 4.09Å; L12-I14 HydrophobicContact CB-CG1 4.11Å; L12-I14 HydrophobicContact CD1-CD1 4.1Å; L12-I14 PolarHBondContact O-N 3.1Å |
| 13 | G | 68.9 | Low | 78.2 | Confident | 53 Ų | 53 | 95.4 Ų | 95.4 | 55% | 0.546 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 6.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A9 I10 K11 R15 | A9-G13 PolarHBondContact O-N 3.3Å; A9-G13 VanDerWaalsContact O-N 3.12Å; I10-G13 PolarHBondContact O-N 3.29Å; K11-G13 PolarHBondContact O-N 2.91Å; G13-R15 VanDerWaalsContact C-N 3.27Å; G13-R15 PolarHBondContact O-N 2.91Å |
| 14 | I | 73.3 | Confident | 78.8 | Confident | 133 Ų | 133 | 90 Ų | 90 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -67.6 | -29.9 | 175.5 | -58.3 | 171.4 | 0 | 0 | 0 | 110.9 | A9 L12 | A9-I14 HydrophobicContact CB-CB 4.24Å; A9-I14 PolarHBondContact O-N 3.12Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 HydrophobicContact CB-CD1 4.09Å; L12-I14 HydrophobicContact CB-CG1 4.11Å; L12-I14 HydrophobicContact CD1-CD1 4.1Å; L12-I14 PolarHBondContact O-N 3.1Å |
| 15 | R | 72.1 | Confident | 79.4 | Confident | 142 Ų | 142 | 82.1 Ų | 82.1 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -129.6 | 138.3 | -179.8 | -165 | 174.9 | -177.5 | 137.8 | 6.3 | 111 | A9 I10 G13 | A9-R15 HydrophobicContact CB-CB 4.3Å; A9-R15 PolarHBondContact O-N 3.5Å; I10-R15 WeakPolarHBondContact CA-O 3.37Å; I10-R15 HydrophobicContact CG1-CB 4.14Å; G13-R15 VanDerWaalsContact C-N 3.27Å; G13-R15 PolarHBondContact O-N 2.91Å |
| 16 | R | 75.8 | Confident | 80 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.5 | 170.2 | -72.7 | -174.1 | -179 | 170.5 | -5.5 | 110.5 | Y46 D277 | R16-Y46 PolarHBondContact NH2-O 3.04Å; R16-D277 IonicContact CZ-OD1 3.56Å; R16-D277 IonicContact NH1-OD1 3.68Å; R16-D277 PolarHBondContact NH1-OD1 2.68Å; R16-D277 IonicContact NH1-OD2 3.34Å; R16-D277 IonicContact NH2-OD1 2.65Å; R16-D277 PolarHBondContact NH2-OD1 3.32Å; R16-D277 VanDerWaalsContact NH2-OD1 3.09Å |
| 17 | P | 78.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 164.3 | 168.4 | 31.4 | -35.8 | 0 | 0 | 0 | 111.2 | I10 Y40 K44 L45 | I10-P17 HydrophobicContact CG2-CB 4.23Å; P17-Y40 HydrophobicContact CB-CD2 3.47Å; P17-Y40 VanDerWaalsContact CB-CD2 3.47Å; P17-Y40 HydrophobicContact CB-CE2 3.36Å; P17-Y40 HydrophobicContact CB-CG 4.25Å; P17-Y40 HydrophobicContact CG-CD2 3.65Å; P17-Y40 HydrophobicContact CG-CE2 4.07Å; P17-Y40 HydrophobicContact CG-CG 4.04Å; P17-K44 WeakPolarHBondContact CD-O 3.47Å; P17-L45 HydrophobicContact CG-CD1 3.92Å |
| 18 | P | 78.1 | Confident | 80.8 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 140 | 171.3 | 26.9 | -34.6 | 0 | 0 | 0 | 110.6 | ||
| 19 | Q | 75.5 | Confident | 80.6 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -83 | 144.6 | -179.5 | -71.2 | 178.2 | -25.8 | 0 | 0 | 111.1 | ||
| 20 | P | 79.7 | Confident | 80.7 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 162.8 | 171.8 | 29.6 | -36.2 | 0 | 0 | 0 | 111.8 | Q22 Q221 | P20-Q22 VanDerWaalsContact C-N 3.3Å; P20-Q22 WeakPolarHBondContact CB-O 3.2Å; P20-Q22 VanDerWaalsContact CG-O 3.24Å; P20-Q22 WeakPolarHBondContact CG-O 3.41Å; P20-Q22 PolarHBondContact O-N 3.21Å; P20-Q221 PolarHBondContact O-NE2 3.38Å |
| 21 | V | 83.2 | Confident | 80.8 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 85% | 0.848 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -63.2 | -36 | -179.8 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 22 | Q | 85.6 | Confident | 81 | Confident | 115 Ų | 115 | 58.8 Ų | 58.8 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -124 | 153.2 | 174.7 | -66.8 | 179.2 | -10.8 | 0 | 0 | 109.5 | P20 I218 | P20-Q22 VanDerWaalsContact C-N 3.3Å; P20-Q22 WeakPolarHBondContact CB-O 3.2Å; P20-Q22 VanDerWaalsContact CG-O 3.24Å; P20-Q22 WeakPolarHBondContact CG-O 3.41Å; P20-Q22 PolarHBondContact O-N 3.21Å; Q22-I218 HydrophobicContact CB-CG2 4.31Å; Q22-I218 VanDerWaalsContact OE1-CG2 3.31Å |
| 23 | R | 89.3 | Confident | 81 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.6 | 171.7 | -61.5 | -164 | 179.7 | -145.6 | -11.7 | 110.1 | I25 Y46 I218 C219 Q221 P222 D277 | R23-I25 HydrophobicContact CB-CD1 4.11Å; R23-I25 HydrophobicContact CB-CG1 4.18Å; R23-Y46 WeakPolarHBondContact CA-OH 3.48Å; R23-Y46 HydrophobicContact CB-CE1 4.28Å; R23-Y46 HydrophobicContact CG-CE1 3.8Å; R23-I218 WeakPolarHBondContact O-CA 3.5Å; R23-C219 PolarHBondContact N-O 2.97Å; R23-C219 PolarHBondContact O-N 3.23Å; R23-C219 VanDerWaalsContact O-N 3.09Å; R23-Q221 VanDerWaalsContact CZ-OE1 3.3Å; R23-P222 VanDerWaalsContact NH2-CD 3.32Å; R23-D277 IonicContact CZ-OD2 3.93Å; R23-D277 VanDerWaalsContact CZ-OD2 3.25Å; R23-D277 IonicContact NH1-OD2 2.8Å; R23-D277 PolarHBondContact NH1-OD2 3.34Å; R23-D277 IonicContact NH2-OD2 2.95Å; R23-D277 PolarHBondContact NH2-OD2 3.13Å |
| 24 | F | 89.7 | Confident | 81.4 | Confident | 61 Ų | 61 | 61 Ų | 61 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.5 | 164.1 | -172.9 | -81.2 | 0 | 0 | 0 | 108.6 | F35 V37 Y46 Y216 I218 | F24-F35 HydrophobicContact CE1-CB 4.07Å; F24-F35 HydrophobicContact CZ-CB 4.11Å; F24-V37 HydrophobicContact CD1-CG2 3.69Å; F24-V37 HydrophobicContact CE1-CG2 4.24Å; F24-Y46 PolarHBondContact N-OH 2.89Å; F24-Y46 PolarHBondContact O-OH 3.46Å; F24-Y216 AromaticContact CD2-CD2 3.96Å; F24-Y216 HydrophobicContact CD2-CD2 3.96Å; F24-Y216 HydrophobicContact CD2-CE2 4.34Å; F24-Y216 HydrophobicContact CD2-CG 4.48Å; F24-Y216 HydrophobicContact CE1-CG 4.21Å; F24-Y216 HydrophobicContact CE2-CD1 4.05Å; F24-Y216 AromaticContact CE2-CD2 3.28Å; F24-Y216 HydrophobicContact CE2-CD2 3.28Å; F24-Y216 HydrophobicContact CE2-CE1 4.3Å; F24-Y216 AromaticContact CE2-CE2 3.59Å; F24-Y216 HydrophobicContact CE2-CE2 3.59Å; F24-Y216 AromaticContact CE2-CG 3.55Å; F24-Y216 HydrophobicContact CE2-CG 3.55Å; F24-Y216 AromaticContact CZ-CD1 3.72Å; F24-Y216 HydrophobicContact CZ-CD1 3.72Å; F24-Y216 AromaticContact CZ-CD2 3.68Å; F24-Y216 HydrophobicContact CZ-CD2 3.68Å; F24-Y216 HydrophobicContact CZ-CE1 4.29Å; F24-Y216 HydrophobicContact CZ-CE2 4.26Å; F24-Y216 AromaticContact CZ-CG 3.38Å; F24-Y216 HydrophobicContact CZ-CG 3.38Å; F24-I218 HydrophobicContact CD2-CD1 4.48Å; F24-I218 HydrophobicContact CD2-CG1 4.14Å |
| 25 | I | 90.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 104.1 | -171.7 | -59 | 174.1 | 0 | 0 | 0 | 109.7 | R23 Y46 V150 Y216 I217 V272 | R23-I25 HydrophobicContact CB-CD1 4.11Å; R23-I25 HydrophobicContact CB-CG1 4.18Å; I25-Y46 HydrophobicContact CG1-CE2 4.45Å; I25-V150 HydrophobicContact CB-CG1 4.21Å; I25-V150 HydrophobicContact CD1-CG1 3.66Å; I25-V150 HydrophobicContact CG1-CG1 3.63Å; I25-V150 HydrophobicContact CG2-CG1 3.63Å; I25-Y216 CarbonylContact O-C 3.6Å; I25-Y216 VanDerWaalsContact O-CA 3.32Å; I25-Y216 WeakPolarHBondContact O-CA 3.13Å; I25-I217 HydrophobicContact CB-CB 4.32Å; I25-I217 PolarHBondContact N-O 2.75Å; I25-I217 PolarHBondContact O-N 3.32Å; I25-V272 HydrophobicContact CD1-CB 4.33Å; I25-V272 HydrophobicContact CD1-CG1 3.76Å |
| 26 | P | 90.3 | Very high | 81.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.3 | 169.6 | 26.2 | -34.8 | 0 | 0 | 0 | 111.8 | S31 K32 F35 L42 G151 | P26-S31 VanDerWaalsContact CB-O 3.27Å; P26-S31 WeakPolarHBondContact CB-O 3.38Å; P26-K32 HydrophobicContact CB-CG 4.14Å; P26-K32 HydrophobicContact CG-CB 4.27Å; P26-K32 HydrophobicContact CG-CG 3.61Å; P26-F35 HydrophobicContact CB-CB 4.46Å; P26-L42 HydrophobicContact CG-CD1 3.88Å; P26-G151 VanDerWaalsContact O-CA 3.27Å; P26-G151 WeakPolarHBondContact O-CA 3.29Å |
| 27 | V | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -96 | 112.4 | -174.4 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | S31 I153 L169 L213 G215 I217 C270 | V27-S31 WeakPolarHBondContact O-CB 3.25Å; V27-S31 PolarHBondContact O-OG 3.41Å; V27-I153 HydrophobicContact CG1-CD1 4.41Å; V27-L169 HydrophobicContact CG1-CD1 4.16Å; V27-L169 HydrophobicContact CG1-CD2 4.43Å; V27-L213 HydrophobicContact CG1-CD2 3.71Å; V27-L213 HydrophobicContact CG1-CG 4.3Å; V27-G215 PolarHBondContact N-O 3.01Å; V27-I217 HydrophobicContact CG2-CD1 3.47Å; V27-I217 VanDerWaalsContact CG2-CD1 3.47Å; V27-I217 HydrophobicContact CG2-CG1 3.62Å; V27-C270 HydrophobicContact CG1-CB 4.25Å | ||
| 28 | G | 83.7 | Confident | 81.5 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | 80.9 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K32 G151 | G28-K32 WeakPolarHBondContact O-CG 3.4Å; G28-K32 PolarHBondContact O-N 3.33Å; G28-G151 WeakPolarHBondContact CA-O 3.3Å; G28-G151 PolarHBondContact N-O 2.83Å |
| 29 | A | 78.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 59 Ų | 59 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.8 | -43.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S31 K32 E136 | A29-S31 VanDerWaalsContact C-N 3.29Å; A29-S31 PolarHBondContact O-N 3.27Å; A29-K32 VanDerWaalsContact O-CB 3.29Å; A29-K32 WeakPolarHBondContact O-CB 3.48Å; A29-K32 PolarHBondContact O-N 3.14Å; A29-E136 HydrophobicContact CB-CG 3.3Å |
| 30 | V | 80 | Confident | 81.4 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -40.5 | 175 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | K32 E33 I34 A210 | V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.28Å; V30-E33 PolarHBondContact O-N 3.26Å; V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 WeakPolarHBondContact O-CG1 3.17Å; V30-I34 PolarHBondContact O-N 3.37Å; V30-A210 WeakPolarHBondContact CG2-O 3.22Å |
| 31 | S | 81.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -23.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | P26 V27 A29 E33 F35 G215 | P26-S31 VanDerWaalsContact CB-O 3.27Å; P26-S31 WeakPolarHBondContact CB-O 3.38Å; V27-S31 WeakPolarHBondContact O-CB 3.25Å; V27-S31 PolarHBondContact O-OG 3.41Å; A29-S31 VanDerWaalsContact C-N 3.29Å; A29-S31 PolarHBondContact O-N 3.27Å; S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 3.25Å; S31-F35 PolarHBondContact O-N 3.31Å; S31-G215 VanDerWaalsContact CB-O 3.29Å; S31-G215 WeakPolarHBondContact CB-O 3.41Å; S31-G215 PolarHBondContact OG-N 3.24Å; S31-G215 PolarHBondContact OG-O 3.47Å |
| 32 | K | 81.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -29.6 | 175.5 | -75.3 | 171.9 | 177.3 | -171.1 | 0 | 111.9 | P26 G28 A29 V30 L42 V150 | P26-K32 HydrophobicContact CB-CG 4.14Å; P26-K32 HydrophobicContact CG-CB 4.27Å; P26-K32 HydrophobicContact CG-CG 3.61Å; G28-K32 WeakPolarHBondContact O-CG 3.4Å; G28-K32 PolarHBondContact O-N 3.33Å; A29-K32 VanDerWaalsContact O-CB 3.29Å; A29-K32 WeakPolarHBondContact O-CB 3.48Å; A29-K32 PolarHBondContact O-N 3.14Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.28Å; K32-L42 HydrophobicContact CD-CD1 4.25Å; K32-L42 HydrophobicContact CG-CD1 4.09Å; K32-V150 VanDerWaalsContact CE-O 3.23Å; K32-V150 WeakPolarHBondContact CE-O 3.47Å; K32-V150 PolarHBondContact NZ-O 3.37Å |
| 33 | E | 78 | Confident | 81.1 | Confident | 146 Ų | 146 | 55.7 Ų | 55.7 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.8 | -41.7 | 174.6 | -56.7 | -165.4 | 135.6 | 0 | 0 | 112.1 | V30 S31 | V30-E33 PolarHBondContact O-N 3.26Å; S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 3.25Å |
| 34 | I | 77.2 | Confident | 80.8 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.395 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | -179.2 | -63.4 | 170 | 0 | 0 | 0 | 112.1 | V30 P36 K214 | V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 WeakPolarHBondContact O-CG1 3.17Å; V30-I34 PolarHBondContact O-N 3.37Å; I34-P36 VanDerWaalsContact C-CD 3.45Å; I34-P36 WeakPolarHBondContact O-CD 3.35Å; I34-K214 HydrophobicContact CD1-CD 4Å; I34-K214 HydrophobicContact CD1-CG 4.05Å |
| 35 | F | 78.7 | Confident | 80.4 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -121.2 | 71 | -177.1 | -57.3 | -75 | 0 | 0 | 0 | 111.3 | F24 P26 S31 V37 Y216 K236 | F24-F35 HydrophobicContact CE1-CB 4.07Å; F24-F35 HydrophobicContact CZ-CB 4.11Å; P26-F35 HydrophobicContact CB-CB 4.46Å; S31-F35 PolarHBondContact O-N 3.31Å; F35-V37 PolarHBondContact O-N 3.35Å; F35-Y216 AromaticContact CD1-CD1 3.88Å; F35-Y216 HydrophobicContact CD1-CD1 3.88Å; F35-Y216 HydrophobicContact CD1-CE1 4.23Å; F35-Y216 HydrophobicContact CD2-CD1 4.21Å; F35-Y216 AromaticContact CE1-CD1 3.91Å; F35-Y216 HydrophobicContact CE1-CD1 3.91Å; F35-Y216 HydrophobicContact CE1-CE1 4.01Å; F35-Y216 HydrophobicContact CE2-CD1 4.24Å; F35-Y216 HydrophobicContact CG-CD1 4.03Å; F35-Y216 HydrophobicContact CZ-CD1 4.09Å; F35-Y216 HydrophobicContact CZ-CE1 4.4Å; F35-K236 HydrophobicContact CZ-CD 4.46Å |
| 36 | P | 74.7 | Confident | 80.2 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 133.7 | 179.9 | 28.6 | -34.5 | 0 | 0 | 0 | 111 | I34 | I34-P36 VanDerWaalsContact C-CD 3.45Å; I34-P36 WeakPolarHBondContact O-CD 3.35Å |
| 37 | V | 75.7 | Confident | 79.9 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 123.4 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | F24 F35 L42 | F24-V37 HydrophobicContact CD1-CG2 3.69Å; F24-V37 HydrophobicContact CE1-CG2 4.24Å; F35-V37 PolarHBondContact O-N 3.35Å; V37-L42 HydrophobicContact CG2-CD2 3.9Å |
| 38 | E | 72.1 | Confident | 79.8 | Confident | 190 Ų | 190 | 61.7 Ų | 61.7 | 89% | 0.888 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -60.9 | 142.6 | 178.9 | -65.8 | -170.6 | 169.4 | 0 | 0 | 112.9 | Y40 | E38-Y40 PolarHBondContact O-N 3.04Š|
| 39 | G | 75.6 | Confident | 80.2 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 78% | 0.784 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 96.7 | -88.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 40 | Y | 76.6 | Confident | 80.7 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 37% | 0.373 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -116.5 | 141.2 | -174.4 | -64.8 | -71.8 | 0 | 0 | 0 | 111.5 | I10 P17 E38 K44 | I10-Y40 HydrophobicContact CG2-CE1 4.39Å; P17-Y40 HydrophobicContact CB-CD2 3.47Å; P17-Y40 VanDerWaalsContact CB-CD2 3.47Å; P17-Y40 HydrophobicContact CB-CE2 3.36Å; P17-Y40 HydrophobicContact CB-CG 4.25Å; P17-Y40 HydrophobicContact CG-CD2 3.65Å; P17-Y40 HydrophobicContact CG-CE2 4.07Å; P17-Y40 HydrophobicContact CG-CG 4.04Å; E38-Y40 PolarHBondContact O-N 3.04Å; Y40-K44 HydrophobicContact CD1-CD 4.05Å |
| 41 | P | 80.3 | Confident | 80.9 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | trans | -59.8 | 146.3 | 177 | 25.4 | -34.3 | 0 | 0 | 0 | 110.8 | R43 K44 L45 | P41-R43 PolarHBondContact O-N 3.32Å; P41-R43 VanDerWaalsContact O-N 3.09Å; P41-K44 HydrophobicContact CG-CB 3.96Å; P41-K44 WeakPolarHBondContact O-CA 3.31Å; P41-K44 WeakPolarHBondContact O-CB 3.4Å; P41-K44 PolarHBondContact O-N 2.88Å; P41-L45 PolarHBondContact O-N 3.22Å; P41-L45 VanDerWaalsContact O-N 3.08Å | ||
| 42 | L | 81.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -46.1 | -45.8 | -176.1 | -68.3 | 168.1 | 0 | 0 | 0 | 112.9 | P26 K32 V37 K44 L45 Y46 | P26-L42 HydrophobicContact CG-CD1 3.88Å; K32-L42 HydrophobicContact CD-CD1 4.25Å; K32-L42 HydrophobicContact CG-CD1 4.09Å; V37-L42 HydrophobicContact CG2-CD2 3.9Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 3.33Å; L42-L45 PolarHBondContact O-N 3.19Å; L42-L45 VanDerWaalsContact O-N 3.15Å; L42-Y46 HydrophobicContact CD2-CD2 4Å; L42-Y46 HydrophobicContact CD2-CE2 3.59Å; L42-Y46 PolarHBondContact O-N 3.35Å |
| 43 | R | 80.8 | Confident | 80.6 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 175 | -179.1 | -178.2 | 158.4 | 178.8 | -8.5 | 114.4 | P41 G47 R48 E149 | P41-R43 PolarHBondContact O-N 3.32Å; P41-R43 VanDerWaalsContact O-N 3.09Å; R43-G47 WeakPolarHBondContact O-CA 3.45Å; R43-G47 PolarHBondContact O-N 3.27Å; R43-R48 HydrophobicContact CG-CG 4.36Å; R43-E149 WeakPolarHBondContact CB-OE1 3.37Å; R43-E149 WeakPolarHBondContact CD-OE1 3.44Å; R43-E149 WeakPolarHBondContact CG-OE1 3.41Å |
| 44 | K | 81 | Confident | 80.6 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 26% | 0.261 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -86.9 | -29.3 | 178.1 | -173.4 | 163.8 | -177.6 | 164.8 | 0 | 112.2 | I10 K11 P17 Y40 P41 L42 | I10-K44 WeakPolarHBondContact O-CE 3.14Å; I10-K44 PolarHBondContact O-NZ 2.77Å; K11-K44 PolarHBondContact O-NZ 3.38Å; P17-K44 WeakPolarHBondContact CD-O 3.47Å; Y40-K44 HydrophobicContact CD1-CD 4.05Å; P41-K44 HydrophobicContact CG-CB 3.96Å; P41-K44 WeakPolarHBondContact O-CA 3.31Å; P41-K44 WeakPolarHBondContact O-CB 3.4Å; P41-K44 PolarHBondContact O-N 2.88Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 3.33Å |
| 45 | L | 83.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.1 | -54.6 | 179 | -171.6 | 62.1 | 0 | 0 | 0 | 112.2 | P17 P41 L42 | P17-L45 HydrophobicContact CG-CD1 3.92Å; P41-L45 PolarHBondContact O-N 3.22Å; P41-L45 VanDerWaalsContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 3.19Å; L42-L45 VanDerWaalsContact O-N 3.15Å |
| 46 | Y | 86.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -22.3 | -176.8 | -53.2 | -51.9 | 0 | 0 | 0 | 113.2 | R16 R23 F24 I25 L42 V150 | R16-Y46 PolarHBondContact NH2-O 3.04Å; R23-Y46 WeakPolarHBondContact CA-OH 3.48Å; R23-Y46 HydrophobicContact CB-CE1 4.28Å; R23-Y46 HydrophobicContact CG-CE1 3.8Å; F24-Y46 PolarHBondContact N-OH 2.89Å; F24-Y46 PolarHBondContact O-OH 3.46Å; I25-Y46 HydrophobicContact CG1-CE2 4.45Å; L42-Y46 HydrophobicContact CD2-CD2 4Å; L42-Y46 HydrophobicContact CD2-CE2 3.59Å; L42-Y46 PolarHBondContact O-N 3.35Å; Y46-V150 HydrophobicContact CD2-CB 3.89Å; Y46-V150 HydrophobicContact CD2-CG1 3.86Å; Y46-V150 HydrophobicContact CD2-CG2 3.93Å; Y46-V150 HydrophobicContact CE2-CG1 4.12Å; Y46-V150 HydrophobicContact CG-CG2 4.15Å |
| 47 | G | 83.6 | Confident | 81.1 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | trans | 88 | -175 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | R43 | R43-G47 WeakPolarHBondContact O-CA 3.45Å; R43-G47 PolarHBondContact O-N 3.27Å | ||
| 48 | R | 86.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | trans | -97.9 | 158.9 | 177.7 | -78.3 | 179.3 | 165.5 | -177 | -13.3 | 111.4 | R43 K50 | R43-R48 HydrophobicContact CG-CG 4.36Å; R48-K50 PolarHBondContact O-N 3.3Å | ||
| 49 | N | 91.2 | Very high | 81.9 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | trans | -72.9 | 39.6 | 172.8 | -163.4 | 47 | 0 | 0 | 0 | 114.6 | S145 L148 P163 T274 G275 | N49-S145 WeakPolarHBondContact CB-O 3.39Å; N49-S145 PolarHBondContact ND2-O 2.85Å; N49-S145 PolarHBondContact ND2-OG 2.75Å; N49-L148 HydrophobicContact CB-CB 3.86Å; N49-L148 PolarHBondContact N-O 3.48Å; N49-P163 PolarHBondContact ND2-O 2.98Å; N49-P163 VanDerWaalsContact ND2-O 3.07Å; N49-T274 HydrophobicContact CB-CG2 4.25Å; N49-G275 PolarHBondContact OD1-N 3.11Å | ||
| 50 | K | 89.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | trans | -83.2 | 125.1 | 179.4 | -171.4 | -176.3 | 178.3 | -173.2 | 0 | 111.3 | R48 T52 N127 M146 | R48-K50 PolarHBondContact O-N 3.3Å; K50-T52 HydrophobicContact CD-CG2 4.09Å; K50-T52 HydrophobicContact CG-CG2 4.22Å; K50-N127 WeakPolarHBondContact CA-OD1 3.39Å; K50-M146 HydrophobicContact CB-CB 4.41Å | ||
| 51 | V | 84.1 | Confident | 82.9 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | trans | -86 | 136.3 | 169.9 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | I126 N127 | V51-I126 HydrophobicContact CB-CG2 4.44Å; V51-I126 HydrophobicContact CG2-CG2 3.9Å; V51-N127 PolarHBondContact N-OD1 2.98Å; V51-N127 PolarHBondContact O-ND2 3.17Å | ||
| 52 | T | 79.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | trans | -140.5 | 114.5 | 177.1 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | K50 D123 R276 | K50-T52 HydrophobicContact CD-CG2 4.09Å; K50-T52 HydrophobicContact CG-CG2 4.22Å; T52-D123 WeakPolarHBondContact CA-OD2 3.25Å; T52-R276 PolarHBondContact OG1-NH2 2.74Å | ||
| 53 | T | 76.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 70 Ų | 70 | 49% | 0.485 | 32% | 0.315 | S | S | . | . | trans | -112.3 | -9.4 | 173.9 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | K55 R119 D123 | T53-K55 PolarHBondContact O-N 3.13Å; T53-R119 WeakPolarHBondContact O-CD 3.12Å; T53-D123 WeakPolarHBondContact CB-OD1 3.44Å; T53-D123 WeakPolarHBondContact CG2-OD1 3.47Å; T53-D123 VanDerWaalsContact N-CG 3.31Å; T53-D123 PolarHBondContact N-OD1 3.5Å; T53-D123 VanDerWaalsContact N-OD1 3.07Å; T53-D123 PolarHBondContact N-OD2 3.02Å; T53-D123 VanDerWaalsContact OG1-CG 3.29Å; T53-D123 PolarHBondContact OG1-OD1 3.36Å; T53-D123 PolarHBondContact OG1-OD2 2.94Å | ||
| 54 | T | 78.2 | Confident | 83.9 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 24% | 0.239 | 31% | 0.313 | C | S | . | . | trans | -54.9 | 132.3 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | D116 R119 L120 D123 | T54-D116 WeakPolarHBondContact CA-OD1 2.94Å; T54-R119 HydrophobicContact CG2-CB 4.26Å; T54-L120 HydrophobicContact CG2-CB 3.75Å; T54-L120 HydrophobicContact CG2-CD1 4.18Å; T54-D123 PolarHBondContact N-OD2 3.17Å | ||
| 55 | K | 76 | Confident | 84.2 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -68.8 | -43.7 | 173.8 | -71.6 | -175.6 | 178.9 | -178.9 | 0 | 111.3 | T53 D116 T289 | T53-K55 PolarHBondContact O-N 3.13Å; K55-D116 PolarHBondContact N-OD1 3.45Å; K55-D116 PolarHBondContact N-OD2 2.96Å; K55-T289 VanDerWaalsContact NZ-CG2 3.27Å |
| 56 | Y | 81.7 | Confident | 84.3 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -105.1 | 150.4 | -170.8 | -52.4 | -65.7 | 0 | 0 | 0 | 111.3 | F61 Q64 N65 E68 Q112 D116 | Y56-F61 AromaticContact CD2-CD2 3.58Å; Y56-F61 HydrophobicContact CD2-CD2 3.58Å; Y56-F61 HydrophobicContact CD2-CE2 4.06Å; Y56-F61 HydrophobicContact CE2-CD2 4.21Å; Y56-F61 HydrophobicContact CE2-CE2 4.31Å; Y56-F61 AromaticContact CG-CD2 3.88Å; Y56-F61 HydrophobicContact CG-CD2 3.88Å; Y56-Q64 HydrophobicContact CD1-CB 3.93Å; Y56-Q64 HydrophobicContact CE1-CB 4.12Å; Y56-N65 HydrophobicContact CE1-CB 4.37Å; Y56-E68 PolarHBondContact OH-OE2 3.19Å; Y56-Q112 PolarHBondContact OH-OE1 3.16Å; Y56-Q112 VanDerWaalsContact OH-OE1 3.07Å; Y56-D116 HydrophobicContact CD2-CB 4.11Å; Y56-D116 PolarHBondContact N-OD2 3.14Å |
| 57 | T | 83.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | trans | -84.3 | 152.9 | 158.6 | 60.9 | 0 | 0 | 0 | 0 | 108.7 | Y59 G60 F61 | T57-Y59 HydrophobicContact CG2-CE1 4.13Å; T57-Y59 PolarHBondContact O-N 3.36Å; T57-Y59 VanDerWaalsContact O-N 3.08Å; T57-Y59 WeakPolarHBondContact OG1-CD2 3.34Å; T57-Y59 VanDerWaalsContact OG1-CE2 3.27Å; T57-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T57-Y59 VanDerWaalsContact OG1-CZ 3.31Å; T57-G60 PolarHBondContact O-N 3.02Å; T57-G60 WeakPolarHBondContact OG1-CA 3.25Å; T57-G60 PolarHBondContact OG1-N 3.27Å; T57-F61 PolarHBondContact O-N 2.8Å | ||
| 58 | W | 81.2 | Confident | 84.3 | Confident | 235 Ų | 235 | 73.2 Ų | 73.2 | 89% | 0.89 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.6 | -178.3 | 70.3 | -96.6 | 0 | 0 | 0 | 113.5 | ||
| 59 | Y | 83.8 | Confident | 84.2 | Confident | 154 Ų | 154 | 68.4 Ų | 68.4 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -27.1 | 175.5 | 60.3 | -96.3 | 0 | 0 | 0 | 113.2 | T57 | T57-Y59 HydrophobicContact CG2-CE1 4.13Å; T57-Y59 PolarHBondContact O-N 3.36Å; T57-Y59 VanDerWaalsContact O-N 3.08Å; T57-Y59 WeakPolarHBondContact OG1-CD2 3.34Å; T57-Y59 VanDerWaalsContact OG1-CE2 3.27Å; T57-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T57-Y59 VanDerWaalsContact OG1-CZ 3.31Å |
| 60 | G | 84.4 | Confident | 83.9 | Confident | 8 Ų | 8 | 70 Ų | 70 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -27.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T57 F62 F63 Q64 | T57-G60 PolarHBondContact O-N 3.02Å; T57-G60 WeakPolarHBondContact OG1-CA 3.25Å; T57-G60 PolarHBondContact OG1-N 3.27Å; G60-F62 PolarHBondContact O-N 3.39Å; G60-F63 PolarHBondContact O-N 3.16Å; G60-Q64 VanDerWaalsContact O-CB 3.31Å; G60-Q64 WeakPolarHBondContact O-CB 3.5Å; G60-Q64 WeakPolarHBondContact O-CG 3.45Å; G60-Q64 PolarHBondContact O-N 3.27Å |
| 61 | F | 87.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 21% | 0.211 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -42.3 | -58.6 | -175.4 | 174.6 | -105.4 | 0 | 0 | 0 | 112.9 | Y56 T57 F63 N65 M109 G113 | Y56-F61 AromaticContact CD2-CD2 3.58Å; Y56-F61 HydrophobicContact CD2-CD2 3.58Å; Y56-F61 HydrophobicContact CD2-CE2 4.06Å; Y56-F61 HydrophobicContact CE2-CD2 4.21Å; Y56-F61 HydrophobicContact CE2-CE2 4.31Å; Y56-F61 AromaticContact CG-CD2 3.88Å; Y56-F61 HydrophobicContact CG-CD2 3.88Å; T57-F61 PolarHBondContact O-N 2.8Å; F61-F63 PolarHBondContact O-N 3.11Å; F61-N65 HydrophobicContact CE2-CB 4.48Å; F61-N65 VanDerWaalsContact CE2-ND2 3.29Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.38Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.32Å; F61-N65 WeakPolarHBondContact O-CB 3.19Å; F61-N65 PolarHBondContact O-N 3.45Å; F61-M109 HydrophobicContact CE1-CG 3.71Å; F61-M109 HydrophobicContact CE1-SD 4.16Å; F61-M109 HydrophobicContact CZ-CG 3.69Å; F61-M109 WeakPolarHBondContact CZ-O 3.19Å; F61-G113 VanDerWaalsContact CE2-CA 3.46Å |
| 62 | F | 88 | Confident | 83.3 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | -175 | -174.9 | -99.8 | 0 | 0 | 0 | 112.9 | G60 L66 M109 | G60-F62 PolarHBondContact O-N 3.39Å; F62-L66 VanDerWaalsContact O-CB 3.27Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 PolarHBondContact O-N 2.76Å; F62-L66 VanDerWaalsContact O-N 3.11Å; F62-M109 HydrophobicContact CD2-SD 3.78Å; F62-M109 HydrophobicContact CE2-SD 4.06Å |
| 63 | F | 88.5 | Confident | 83.4 | Confident | 156 Ų | 156 | 77.2 Ų | 77.2 | 68% | 0.684 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -76.2 | -37.1 | -175.2 | -63 | -72.9 | 0 | 0 | 0 | 113.4 | G60 F61 G67 | G60-F63 PolarHBondContact O-N 3.16Å; F61-F63 PolarHBondContact O-N 3.11Å; F63-G67 PolarHBondContact O-N 2.8Å; F63-G67 VanDerWaalsContact O-N 3.11Å |
| 64 | Q | 87.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71 | -46.2 | 178.4 | -67.5 | 178.9 | -50 | 0 | 0 | 110.9 | Y56 G60 G67 E68 | Y56-Q64 HydrophobicContact CD1-CB 3.93Å; Y56-Q64 HydrophobicContact CE1-CB 4.12Å; G60-Q64 VanDerWaalsContact O-CB 3.31Å; G60-Q64 WeakPolarHBondContact O-CB 3.5Å; G60-Q64 WeakPolarHBondContact O-CG 3.45Å; G60-Q64 PolarHBondContact O-N 3.27Å; Q64-G67 PolarHBondContact O-N 3.13Å; Q64-E68 WeakPolarHBondContact O-CG 3.3Å; Q64-E68 PolarHBondContact O-N 2.84Å |
| 65 | N | 87.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 177.3 | -173.3 | -27.7 | 0 | 0 | 0 | 111.2 | Y56 F61 G67 E68 Q69 Q112 | Y56-N65 HydrophobicContact CE1-CB 4.37Å; F61-N65 HydrophobicContact CE2-CB 4.48Å; F61-N65 VanDerWaalsContact CE2-ND2 3.29Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.38Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.32Å; F61-N65 WeakPolarHBondContact O-CB 3.19Å; F61-N65 PolarHBondContact O-N 3.45Å; N65-G67 VanDerWaalsContact C-N 3.28Å; N65-G67 PolarHBondContact O-N 3.02Å; N65-E68 PolarHBondContact O-N 3.21Å; N65-Q69 WeakPolarHBondContact O-CB 3.28Å; N65-Q69 WeakPolarHBondContact O-CG 3.21Å; N65-Q69 PolarHBondContact O-N 2.93Å; N65-Q69 WeakPolarHBondContact OD1-CG 3.29Å; N65-Q69 PolarHBondContact OD1-NE2 3.07Å; N65-Q112 PolarHBondContact ND2-OE1 3Å; N65-Q112 VanDerWaalsContact ND2-OE1 3.12Å; N65-Q112 PolarHBondContact OD1-OE1 2.88Å |
| 66 | L | 86.8 | Confident | 84.4 | Confident | 74 Ų | 74 | 74 Ų | 74 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 177.3 | -169.7 | 67.9 | 0 | 0 | 0 | 112.2 | F62 A70 L105 | F62-L66 VanDerWaalsContact O-CB 3.27Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 PolarHBondContact O-N 2.76Å; F62-L66 VanDerWaalsContact O-N 3.11Å; L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 2.91Å; L66-L105 HydrophobicContact CD1-CD1 4.29Å |
| 67 | G | 86.1 | Confident | 84.7 | Confident | 35 Ų | 35 | 75.1 Ų | 75.1 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F63 Q64 N65 A70 Q71 | F63-G67 PolarHBondContact O-N 2.8Å; F63-G67 VanDerWaalsContact O-N 3.11Å; Q64-G67 PolarHBondContact O-N 3.13Å; N65-G67 VanDerWaalsContact C-N 3.28Å; N65-G67 PolarHBondContact O-N 3.02Å; G67-A70 PolarHBondContact O-N 2.73Å; G67-Q71 WeakPolarHBondContact O-CG 3.3Å; G67-Q71 PolarHBondContact O-N 3.28Å |
| 68 | E | 83.1 | Confident | 84.9 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175 | -74.2 | 173.8 | -155.7 | 0 | 0 | 111.8 | Y56 Q64 N65 Q71 | Y56-E68 PolarHBondContact OH-OE2 3.19Å; Q64-E68 WeakPolarHBondContact O-CG 3.3Å; Q64-E68 PolarHBondContact O-N 2.84Å; N65-E68 PolarHBondContact O-N 3.21Å; E68-Q71 PolarHBondContact O-N 3.33Å |
| 69 | Q | 84.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.6 | -72.4 | -173 | 27.2 | 0 | 0 | 112.4 | N65 Q71 R72 N75 L105 T108 | N65-Q69 WeakPolarHBondContact O-CB 3.28Å; N65-Q69 WeakPolarHBondContact O-CG 3.21Å; N65-Q69 PolarHBondContact O-N 2.93Å; N65-Q69 WeakPolarHBondContact OD1-CG 3.29Å; N65-Q69 PolarHBondContact OD1-NE2 3.07Å; Q69-Q71 PolarHBondContact O-N 3.11Å; Q69-R72 WeakPolarHBondContact O-CB 3.43Å; Q69-R72 PolarHBondContact O-N 3.49Å; Q69-N75 VanDerWaalsContact O-CB 3.32Å; Q69-N75 WeakPolarHBondContact O-CB 3.47Å; Q69-N75 PolarHBondContact O-ND2 3.1Å; Q69-L105 HydrophobicContact CB-CD2 4.26Å; Q69-L105 PolarHBondContact NE2-O 3.11Å; Q69-L105 PolarHBondContact OE1-O 3.1Å; Q69-T108 VanDerWaalsContact CD-OG1 3.26Å; Q69-T108 PolarHBondContact NE2-OG1 3.35Å; Q69-T108 PolarHBondContact OE1-OG1 2.66Å; Q69-T108 VanDerWaalsContact OE1-OG1 3.05Å |
| 70 | A | 84 | Confident | 85.4 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.2 | -18.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L66 G67 R72 I79 | L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 2.91Å; G67-A70 PolarHBondContact O-N 2.73Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-I79 HydrophobicContact CB-CD1 4.14Å |
| 71 | Q | 82.2 | Confident | 85.6 | Confident | 162 Ų | 162 | 58.3 Ų | 58.3 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.2 | 173.3 | -70.1 | 172.4 | 2.6 | 0 | 0 | 113.4 | G67 E68 Q69 I73 | G67-Q71 WeakPolarHBondContact O-CG 3.3Å; G67-Q71 PolarHBondContact O-N 3.28Å; E68-Q71 PolarHBondContact O-N 3.33Å; Q69-Q71 PolarHBondContact O-N 3.11Å; Q71-I73 PolarHBondContact O-N 2.94Å |
| 72 | R | 78 | Confident | 85.5 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -71.3 | 125.7 | 174.1 | -65.7 | -177.9 | 170.2 | -169.7 | -3.8 | 109.7 | Q69 A70 A74 N75 F76 E365 | Q69-R72 WeakPolarHBondContact O-CB 3.43Å; Q69-R72 PolarHBondContact O-N 3.49Å; A70-R72 VanDerWaalsContact C-N 3.29Å; R72-A74 VanDerWaalsContact C-N 3.27Å; R72-A74 PolarHBondContact O-N 3.02Å; R72-A74 VanDerWaalsContact O-N 3.12Å; R72-N75 HydrophobicContact CB-CB 4.25Å; R72-N75 PolarHBondContact O-N 2.93Å; R72-F76 PolarHBondContact O-N 3.16Å; R72-E365 IonicContact CZ-OE1 2.63Å; R72-E365 IonicContact NH1-OE1 2.63Å; R72-E365 PolarHBondContact NH1-OE1 3.48Å; R72-E365 IonicContact NH2-OE1 3.39Å; R72-E365 PolarHBondContact NH2-OE1 3.31Å |
| 73 | I | 82.2 | Confident | 85.6 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -49.3 | -44.4 | -173.8 | -61.6 | 172.3 | 0 | 0 | 0 | 112.8 | Q71 F76 Y77 N299 L302 | Q71-I73 PolarHBondContact O-N 2.94Å; I73-F76 PolarHBondContact O-N 2.73Å; I73-Y77 PolarHBondContact O-N 3.1Å; I73-N299 HydrophobicContact CD1-CB 4.42Å; I73-L302 HydrophobicContact CG2-CD2 4.01Å |
| 74 | A | 80.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R72 F76 Y77 F78 L302 Y361 | R72-A74 VanDerWaalsContact C-N 3.27Å; R72-A74 PolarHBondContact O-N 3.02Å; R72-A74 VanDerWaalsContact O-N 3.12Å; A74-F76 VanDerWaalsContact C-N 3.29Å; A74-F76 PolarHBondContact O-N 2.91Å; A74-Y77 WeakPolarHBondContact O-CB 3.42Å; A74-Y77 PolarHBondContact O-N 3.28Å; A74-F78 HydrophobicContact CB-CD2 4.49Å; A74-F78 HydrophobicContact CB-CE2 4.17Å; A74-F78 WeakPolarHBondContact O-CD2 3.4Å; A74-F78 WeakPolarHBondContact O-CG 3.46Å; A74-F78 PolarHBondContact O-N 2.84Å; A74-L302 HydrophobicContact CB-CD2 4.18Å; A74-Y361 HydrophobicContact CB-CD2 4.08Å; A74-Y361 HydrophobicContact CB-CE1 4.15Å; A74-Y361 HydrophobicContact CB-CE2 3.27Å; A74-Y361 VanDerWaalsContact CB-OH 3.26Å; A74-Y361 WeakPolarHBondContact CB-OH 3.32Å |
| 75 | N | 84.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.4 | -70.7 | -10 | 0 | 0 | 0 | 110.3 | Q69 R72 Y77 F78 I79 | Q69-N75 VanDerWaalsContact O-CB 3.32Å; Q69-N75 WeakPolarHBondContact O-CB 3.47Å; Q69-N75 PolarHBondContact O-ND2 3.1Å; R72-N75 HydrophobicContact CB-CB 4.25Å; R72-N75 PolarHBondContact O-N 2.93Å; N75-Y77 PolarHBondContact O-N 3.44Å; N75-F78 PolarHBondContact O-N 2.93Å; N75-I79 WeakPolarHBondContact O-CB 3.36Å; N75-I79 WeakPolarHBondContact O-CD1 3.41Å; N75-I79 WeakPolarHBondContact O-CG1 3.35Å; N75-I79 PolarHBondContact O-N 2.83Å |
| 76 | F | 87.5 | Confident | 85.4 | Confident | 130 Ų | 130 | 52 Ų | 52 | 57% | 0.57 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 173.5 | -178.2 | -98.8 | 0 | 0 | 0 | 112.5 | R72 I73 A74 S80 | R72-F76 PolarHBondContact O-N 3.16Å; I73-F76 PolarHBondContact O-N 2.73Å; A74-F76 VanDerWaalsContact C-N 3.29Å; A74-F76 PolarHBondContact O-N 2.91Å; F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.45Å; F76-S80 PolarHBondContact O-OG 2.81Å |
| 77 | Y | 88 | Confident | 85.3 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 174 | 168.9 | -97.5 | 0 | 0 | 0 | 111.9 | I73 A74 N75 S80 L81 L306 N353 I356 | I73-Y77 PolarHBondContact O-N 3.1Å; A74-Y77 WeakPolarHBondContact O-CB 3.42Å; A74-Y77 PolarHBondContact O-N 3.28Å; N75-Y77 PolarHBondContact O-N 3.44Å; Y77-S80 WeakPolarHBondContact O-CB 3.38Å; Y77-S80 PolarHBondContact O-N 3.42Å; Y77-L81 WeakPolarHBondContact O-CB 3.25Å; Y77-L81 PolarHBondContact O-N 2.87Å; Y77-L306 HydrophobicContact CD2-CD1 4.01Å; Y77-L306 HydrophobicContact CE2-CD1 3.78Å; Y77-N353 WeakPolarHBondContact CE1-OD1 3.38Å; Y77-N353 PolarHBondContact OH-OD1 2.93Å; Y77-I356 HydrophobicContact CD1-CD1 4.23Å; Y77-I356 HydrophobicContact CD1-CG2 4.16Å; Y77-I356 HydrophobicContact CD2-CD1 4.45Å; Y77-I356 HydrophobicContact CE1-CB 4.05Å; Y77-I356 HydrophobicContact CE1-CD1 3.73Å; Y77-I356 HydrophobicContact CE1-CG1 4.44Å; Y77-I356 HydrophobicContact CE1-CG2 4.05Å; Y77-I356 HydrophobicContact CE2-CD1 3.97Å |
| 78 | F | 87.5 | Confident | 85.1 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -34.1 | -178.9 | -64.7 | -56.4 | 0 | 0 | 0 | 113.4 | A74 N75 L81 A82 L101 I356 I358 | A74-F78 HydrophobicContact CB-CD2 4.49Å; A74-F78 HydrophobicContact CB-CE2 4.17Å; A74-F78 WeakPolarHBondContact O-CD2 3.4Å; A74-F78 WeakPolarHBondContact O-CG 3.46Å; A74-F78 PolarHBondContact O-N 2.84Å; N75-F78 PolarHBondContact O-N 2.93Å; F78-L81 PolarHBondContact O-N 2.66Å; F78-A82 WeakPolarHBondContact O-CB 3.33Å; F78-A82 PolarHBondContact O-N 3.23Å; F78-L101 HydrophobicContact CB-CD1 3.91Å; F78-L101 HydrophobicContact CB-CD2 4.47Å; F78-I356 HydrophobicContact CE1-CG2 4.08Å; F78-I356 HydrophobicContact CZ-CB 4.48Å; F78-I356 HydrophobicContact CZ-CG2 3.66Å; F78-I358 HydrophobicContact CB-CD1 4.03Å; F78-I358 HydrophobicContact CD1-CB 4.3Å; F78-I358 HydrophobicContact CD1-CD1 3.71Å; F78-I358 HydrophobicContact CD1-CG1 4.17Å; F78-I358 HydrophobicContact CD2-CB 4.32Å; F78-I358 HydrophobicContact CD2-CD1 3.79Å; F78-I358 HydrophobicContact CD2-CG1 3.7Å; F78-I358 HydrophobicContact CE1-CB 3.72Å; F78-I358 HydrophobicContact CE1-CD1 4.04Å; F78-I358 HydrophobicContact CE1-CG1 4.05Å; F78-I358 HydrophobicContact CE2-CB 3.77Å; F78-I358 HydrophobicContact CE2-CD1 4.13Å; F78-I358 HydrophobicContact CE2-CG1 3.59Å; F78-I358 HydrophobicContact CG-CD1 3.57Å; F78-I358 HydrophobicContact CG-CG1 4Å; F78-I358 HydrophobicContact CZ-CB 3.41Å; F78-I358 VanDerWaalsContact CZ-CB 3.41Å; F78-I358 HydrophobicContact CZ-CD1 4.24Å; F78-I358 HydrophobicContact CZ-CG1 3.76Å |
| 79 | I | 88.3 | Confident | 84.7 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 170.5 | -70.3 | 163.3 | 0 | 0 | 0 | 109.8 | A70 N75 L81 A82 I83 L101 | A70-I79 HydrophobicContact CB-CD1 4.14Å; N75-I79 WeakPolarHBondContact O-CB 3.36Å; N75-I79 WeakPolarHBondContact O-CD1 3.41Å; N75-I79 WeakPolarHBondContact O-CG1 3.35Å; N75-I79 PolarHBondContact O-N 2.83Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.91Å; I79-A82 PolarHBondContact O-N 3.08Å; I79-I83 HydrophobicContact CG2-CD1 3.98Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.25Å; I79-I83 PolarHBondContact O-N 3.11Å; I79-L101 HydrophobicContact CG1-CD1 4.38Å; I79-L101 HydrophobicContact CG1-CD2 3.94Å |
| 80 | S | 88 | Confident | 84.3 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | F76 Y77 I83 I84 | F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.45Å; F76-S80 PolarHBondContact O-OG 2.81Å; Y77-S80 WeakPolarHBondContact O-CB 3.38Å; Y77-S80 PolarHBondContact O-N 3.42Å; S80-I83 PolarHBondContact O-N 3.15Å; S80-I84 WeakPolarHBondContact O-CG1 3.17Å; S80-I84 PolarHBondContact O-N 3.18Å |
| 81 | L | 87.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 175.8 | -175.7 | 76.4 | 0 | 0 | 0 | 112.6 | Y77 F78 I79 I83 I84 Q85 V349 V350 N353 | Y77-L81 WeakPolarHBondContact O-CB 3.25Å; Y77-L81 PolarHBondContact O-N 2.87Å; F78-L81 PolarHBondContact O-N 2.66Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.91Å; L81-I83 PolarHBondContact O-N 3.4Å; L81-I84 WeakPolarHBondContact O-CB 3.46Å; L81-I84 PolarHBondContact O-N 3.07Å; L81-I84 VanDerWaalsContact O-N 3.16Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.02Å; L81-V349 HydrophobicContact CD1-CG1 3.95Å; L81-V350 HydrophobicContact CD1-CG2 4.21Å; L81-N353 HydrophobicContact CD1-CB 4.48Å; L81-N353 HydrophobicContact CD2-CB 3.72Å; L81-N353 VanDerWaalsContact CD2-ND2 3.3Å; L81-N353 WeakPolarHBondContact CD2-ND2 3.45Å; L81-N353 WeakPolarHBondContact CD2-OD1 3.46Å |
| 82 | A | 86.8 | Confident | 83.3 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F78 I79 L86 I98 L101 | F78-A82 WeakPolarHBondContact O-CB 3.33Å; F78-A82 PolarHBondContact O-N 3.23Å; I79-A82 PolarHBondContact O-N 3.08Å; A82-L86 WeakPolarHBondContact O-CG 3.19Å; A82-I98 HydrophobicContact CB-CG1 4.21Å; A82-L101 HydrophobicContact CB-CD2 4.07Å |
| 83 | I | 88.9 | Confident | 83.3 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 46% | 0.456 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 171.9 | -66.1 | 164.3 | 0 | 0 | 0 | 110.8 | I79 S80 L81 Q85 L86 F87 | I79-I83 HydrophobicContact CG2-CD1 3.98Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.25Å; I79-I83 PolarHBondContact O-N 3.11Å; S80-I83 PolarHBondContact O-N 3.15Å; L81-I83 PolarHBondContact O-N 3.4Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 3.48Å; I83-L86 WeakPolarHBondContact O-CB 3.21Å; I83-L86 PolarHBondContact O-N 3.48Å; I83-L86 VanDerWaalsContact O-N 3.09Å; I83-F87 HydrophobicContact CG2-CD2 4.34Å; I83-F87 HydrophobicContact CG2-CE2 3.99Å; I83-F87 VanDerWaalsContact O-CD2 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.33Å |
| 84 | I | 87.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55 | -44.4 | 177.1 | -75.9 | 164 | 0 | 0 | 0 | 111.5 | S80 L81 L86 F87 T88 L346 V350 | S80-I84 WeakPolarHBondContact O-CG1 3.17Å; S80-I84 PolarHBondContact O-N 3.18Å; L81-I84 WeakPolarHBondContact O-CB 3.46Å; L81-I84 PolarHBondContact O-N 3.07Å; L81-I84 VanDerWaalsContact O-N 3.16Å; I84-L86 PolarHBondContact O-N 2.85Å; I84-F87 PolarHBondContact O-N 3.13Å; I84-T88 PolarHBondContact O-N 3.01Å; I84-T88 PolarHBondContact O-OG1 3.3Å; I84-L346 HydrophobicContact CG2-CB 4.18Å; I84-L346 HydrophobicContact CG2-CD1 4.29Å; I84-L346 HydrophobicContact CG2-CD2 3.84Å; I84-L346 HydrophobicContact CG2-CG 4.32Å; I84-V350 HydrophobicContact CG2-CG2 4.42Å |
| 85 | Q | 86 | Confident | 83.2 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -22.4 | 179.8 | -74.9 | 174.3 | 11.9 | 0 | 0 | 114 | L81 I83 F87 P94 S97 V350 | L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.02Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 3.48Å; Q85-F87 VanDerWaalsContact C-N 3.26Å; Q85-F87 PolarHBondContact O-N 3.36Å; Q85-P94 HydrophobicContact CB-CB 4.13Å; Q85-P94 HydrophobicContact CB-CG 4.28Å; Q85-P94 WeakPolarHBondContact O-CG 3.48Å; Q85-S97 PolarHBondContact NE2-OG 3.33Å; Q85-S97 PolarHBondContact OE1-OG 3.08Å; Q85-S97 VanDerWaalsContact OE1-OG 3.08Å; Q85-V350 HydrophobicContact CG-CB 4.48Å; Q85-V350 HydrophobicContact CG-CG1 4.09Å; Q85-V350 HydrophobicContact CG-CG2 3.51Å |
| 86 | L | 86.6 | Confident | 82.7 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.8 | 174.6 | -65.6 | 170.9 | 0 | 0 | 0 | 113.3 | A82 I83 I84 P94 I98 | A82-L86 WeakPolarHBondContact O-CG 3.19Å; I83-L86 WeakPolarHBondContact O-CB 3.21Å; I83-L86 PolarHBondContact O-N 3.48Å; I83-L86 VanDerWaalsContact O-N 3.09Å; I84-L86 PolarHBondContact O-N 2.85Å; L86-P94 HydrophobicContact CD2-CB 4.45Å; L86-I98 HydrophobicContact CD2-CD1 4.31Å |
| 87 | F | 84.2 | Confident | 82.3 | Confident | 146 Ų | 146 | 45.2 Ų | 45.2 | 64% | 0.64 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -118.8 | 6.7 | -178.7 | -61.1 | -71.2 | 0 | 0 | 0 | 113.7 | I83 I84 Q85 Q343 | I83-F87 HydrophobicContact CG2-CD2 4.34Å; I83-F87 HydrophobicContact CG2-CE2 3.99Å; I83-F87 VanDerWaalsContact O-CD2 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.33Å; I84-F87 PolarHBondContact O-N 3.13Å; Q85-F87 VanDerWaalsContact C-N 3.26Å; Q85-F87 PolarHBondContact O-N 3.36Å; F87-Q343 PolarHBondContact O-NE2 2.75Å |
| 88 | T | 81.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | trans | -118.3 | 129.7 | -174.6 | -50.6 | 0 | 0 | 0 | 0 | 111.1 | I84 S90 Q343 L346 | I84-T88 PolarHBondContact O-N 3.01Å; I84-T88 PolarHBondContact O-OG1 3.3Å; T88-S90 PolarHBondContact O-N 3.43Å; T88-Q343 VanDerWaalsContact CA-OE1 3.28Å; T88-L346 HydrophobicContact CG2-CB 3.6Å; T88-L346 WeakPolarHBondContact OG1-CB 3.44Å; T88-L346 WeakPolarHBondContact OG1-CD1 3.44Å | ||
| 89 | D | 75.2 | Confident | 81.8 | Confident | 150 Ų | 150 | 51.5 Ų | 51.5 | 80% | 0.802 | 28% | 0.282 | S | S | * | . | trans | -78.6 | 63.2 | 173.1 | -67.2 | -42.2 | 0 | 0 | 0 | 110.6 | ||||
| 90 | S | 76 | Confident | 81.4 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | trans | -85.6 | 146.4 | -175.9 | -175 | 0 | 0 | 0 | 0 | 112.5 | T88 V92 V350 | T88-S90 PolarHBondContact O-N 3.43Å; S90-V92 PolarHBondContact O-N 3.45Å; S90-V92 PolarHBondContact OG-N 3.44Å; S90-V350 VanDerWaalsContact OG-CG1 3.31Å; S90-V350 WeakPolarHBondContact OG-CG1 3.29Å | ||
| 91 | P | 68.4 | Low | 81.2 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 34% | 0.338 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -66 | -2.6 | 170.5 | 28.3 | -36.6 | 0 | 0 | 0 | 114.1 | Q986 | P91-Q986 PolarHBondContact O-NE2 3.45Š|
| 92 | V | 76 | Confident | 81.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -111.5 | 120.9 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | S90 T96 V350 L989 | S90-V92 PolarHBondContact O-N 3.45Å; S90-V92 PolarHBondContact OG-N 3.44Å; V92-T96 HydrophobicContact CG1-CG2 3.81Å; V92-T96 WeakPolarHBondContact CG1-OG1 3.34Å; V92-V350 HydrophobicContact CB-CG1 3.88Å; V92-V350 HydrophobicContact CG1-CG1 4.41Å; V92-V350 HydrophobicContact CG2-CG1 4.33Å; V92-L989 HydrophobicContact CG1-CD1 4.34Å; V92-L989 HydrophobicContact CG2-CD1 4.15Å |
| 93 | S | 78.7 | Confident | 81.1 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -60.4 | 138.4 | -179.6 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | T95 T96 | S93-T95 PolarHBondContact O-N 3.18Å; S93-T95 PolarHBondContact OG-N 2.94Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; S93-T96 VanDerWaalsContact O-CB 3.32Å; S93-T96 WeakPolarHBondContact O-CB 3.34Å; S93-T96 VanDerWaalsContact O-CG2 3.24Å; S93-T96 WeakPolarHBondContact O-CG2 3.47Å; S93-T96 PolarHBondContact O-N 3.25Å; S93-T96 PolarHBondContact O-OG1 3.09Å | ||
| 94 | P | 80.9 | Confident | 80.7 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.4 | 176.6 | -26.7 | 35.3 | 0 | 0 | 0 | 114.4 | Q85 L86 T96 S97 I98 | Q85-P94 HydrophobicContact CB-CB 4.13Å; Q85-P94 HydrophobicContact CB-CG 4.28Å; Q85-P94 WeakPolarHBondContact O-CG 3.48Å; L86-P94 HydrophobicContact CD2-CB 4.45Å; P94-T96 PolarHBondContact O-N 3.21Å; P94-S97 PolarHBondContact O-N 2.98Å; P94-I98 HydrophobicContact CB-CD1 4.08Å; P94-I98 WeakPolarHBondContact O-CG1 3.45Å; P94-I98 PolarHBondContact O-N 3.27Å; P94-I98 VanDerWaalsContact O-N 3.12Å |
| 95 | T | 78.7 | Confident | 80.7 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.9 | -31.9 | 175.2 | 59 | 0 | 0 | 0 | 0 | 112.7 | S93 S97 I99 | S93-T95 PolarHBondContact O-N 3.18Å; S93-T95 PolarHBondContact OG-N 2.94Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; T95-S97 VanDerWaalsContact C-N 3.27Å; T95-S97 PolarHBondContact O-N 2.72Å; T95-I99 WeakPolarHBondContact O-CB 3.03Å; T95-I99 VanDerWaalsContact O-CG1 3.32Å; T95-I99 WeakPolarHBondContact O-CG1 3.35Å; T95-I99 PolarHBondContact O-N 3.47Å; T95-I99 VanDerWaalsContact O-N 3.12Å |
| 96 | T | 74.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -28.3 | -178.7 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | V92 S93 P94 P100 I990 | V92-T96 HydrophobicContact CG1-CG2 3.81Å; V92-T96 WeakPolarHBondContact CG1-OG1 3.34Å; S93-T96 VanDerWaalsContact O-CB 3.32Å; S93-T96 WeakPolarHBondContact O-CB 3.34Å; S93-T96 VanDerWaalsContact O-CG2 3.24Å; S93-T96 WeakPolarHBondContact O-CG2 3.47Å; S93-T96 PolarHBondContact O-N 3.25Å; S93-T96 PolarHBondContact O-OG1 3.09Å; P94-T96 PolarHBondContact O-N 3.21Å; T96-P100 WeakPolarHBondContact O-CD 3.39Å; T96-P100 VanDerWaalsContact O-CG 3.25Å; T96-P100 WeakPolarHBondContact O-CG 3.32Å; T96-I990 HydrophobicContact CG2-CD1 4.03Å; T96-I990 HydrophobicContact CG2-CG1 3.96Å |
| 97 | S | 77.9 | Confident | 80.7 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -107.8 | -32.6 | -178.8 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | Q85 P94 T95 L101 | Q85-S97 PolarHBondContact NE2-OG 3.33Å; Q85-S97 PolarHBondContact OE1-OG 3.08Å; Q85-S97 VanDerWaalsContact OE1-OG 3.08Å; P94-S97 PolarHBondContact O-N 2.98Å; T95-S97 VanDerWaalsContact C-N 3.27Å; T95-S97 PolarHBondContact O-N 2.72Å; S97-L101 VanDerWaalsContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CB 3.36Å; S97-L101 PolarHBondContact O-N 3.43Å; S97-L101 VanDerWaalsContact O-N 3.16Å |
| 98 | I | 83.9 | Confident | 80.6 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 36% | 0.359 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.7 | -66.1 | 168.7 | 0 | 0 | 0 | 111.2 | A82 L86 P94 L101 F102 | A82-I98 HydrophobicContact CB-CG1 4.21Å; L86-I98 HydrophobicContact CD2-CD1 4.31Å; P94-I98 HydrophobicContact CB-CD1 4.08Å; P94-I98 WeakPolarHBondContact O-CG1 3.45Å; P94-I98 PolarHBondContact O-N 3.27Å; P94-I98 VanDerWaalsContact O-N 3.12Å; I98-L101 PolarHBondContact O-N 3.47Å; I98-F102 WeakPolarHBondContact O-CB 3.46Å; I98-F102 PolarHBondContact O-N 3.02Å |
| 99 | I | 83 | Confident | 80.9 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -51 | -177.2 | -67.7 | 168.7 | 0 | 0 | 0 | 111.8 | T95 L101 F102 F103 | T95-I99 WeakPolarHBondContact O-CB 3.03Å; T95-I99 VanDerWaalsContact O-CG1 3.32Å; T95-I99 WeakPolarHBondContact O-CG1 3.35Å; T95-I99 PolarHBondContact O-N 3.47Å; T95-I99 VanDerWaalsContact O-N 3.12Å; I99-L101 PolarHBondContact O-N 3.39Å; I99-F102 PolarHBondContact O-N 3.3Å; I99-F103 PolarHBondContact O-N 3.43Å |
| 100 | P | 78.7 | Confident | 81.6 | Confident | 26 Ų | 26 | 47 Ų | 47 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.5 | -25.7 | 36.9 | 0 | 0 | 0 | 113.2 | T96 F103 V104 I358 | T96-P100 WeakPolarHBondContact O-CD 3.39Å; T96-P100 VanDerWaalsContact O-CG 3.25Å; T96-P100 WeakPolarHBondContact O-CG 3.32Å; P100-F103 WeakPolarHBondContact O-CB 3.44Å; P100-F103 PolarHBondContact O-N 3.39Å; P100-V104 WeakPolarHBondContact O-CG2 3.29Å; P100-V104 PolarHBondContact O-N 2.83Å; P100-I358 HydrophobicContact CB-CD1 4.15Å; P100-I358 HydrophobicContact CB-CG2 4Å |
| 101 | L | 84.3 | Confident | 82 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 177 | 177.3 | 60.2 | 0 | 0 | 0 | 111.7 | F78 I79 A82 S97 I98 I99 F103 V104 L105 I358 | F78-L101 HydrophobicContact CB-CD1 3.91Å; F78-L101 HydrophobicContact CB-CD2 4.47Å; I79-L101 HydrophobicContact CG1-CD1 4.38Å; I79-L101 HydrophobicContact CG1-CD2 3.94Å; A82-L101 HydrophobicContact CB-CD2 4.07Å; S97-L101 VanDerWaalsContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CB 3.36Å; S97-L101 PolarHBondContact O-N 3.43Å; S97-L101 VanDerWaalsContact O-N 3.16Å; I98-L101 PolarHBondContact O-N 3.47Å; I99-L101 PolarHBondContact O-N 3.39Å; L101-F103 VanDerWaalsContact C-N 3.28Å; L101-F103 PolarHBondContact O-N 3.04Å; L101-V104 PolarHBondContact O-N 2.96Å; L101-L105 HydrophobicContact CD1-CD1 3.91Å; L101-L105 HydrophobicContact CD1-CD2 4.44Å; L101-L105 HydrophobicContact CD1-CG 4.02Å; L101-L105 HydrophobicContact CG-CD1 4Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 2.88Å; L101-I358 HydrophobicContact CB-CD1 4.19Å |
| 102 | F | 86.6 | Confident | 82.6 | Confident | 149 Ų | 149 | 46 Ų | 46 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.5 | -40.1 | 176.5 | 179.2 | -97.6 | 0 | 0 | 0 | 111.9 | I98 I99 S106 | I98-F102 WeakPolarHBondContact O-CB 3.46Å; I98-F102 PolarHBondContact O-N 3.02Å; I99-F102 PolarHBondContact O-N 3.3Å; F102-S106 VanDerWaalsContact O-CB 3.22Å; F102-S106 WeakPolarHBondContact O-CB 3.36Å; F102-S106 PolarHBondContact O-N 3.26Å; F102-S106 PolarHBondContact O-OG 2.72Å |
| 103 | F | 84.4 | Confident | 83.2 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.4 | -178.4 | -102.2 | 0 | 0 | 0 | 112.2 | I99 P100 L101 S106 V107 V362 | I99-F103 PolarHBondContact O-N 3.43Å; P100-F103 WeakPolarHBondContact O-CB 3.44Å; P100-F103 PolarHBondContact O-N 3.39Å; L101-F103 VanDerWaalsContact C-N 3.28Å; L101-F103 PolarHBondContact O-N 3.04Å; F103-S106 PolarHBondContact O-N 2.69Å; F103-V107 HydrophobicContact CD1-CG2 4.41Å; F103-V107 HydrophobicContact CD2-CG2 4.35Å; F103-V107 HydrophobicContact CE1-CG2 4.07Å; F103-V107 HydrophobicContact CE2-CG2 4Å; F103-V107 HydrophobicContact CZ-CG2 3.85Å; F103-V107 WeakPolarHBondContact O-CG2 3.32Å; F103-V107 PolarHBondContact O-N 3.18Å; F103-V362 HydrophobicContact CE1-CG1 4.08Å |
| 104 | V | 82.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | P100 L101 S106 V107 T108 I358 V362 | P100-V104 WeakPolarHBondContact O-CG2 3.29Å; P100-V104 PolarHBondContact O-N 2.83Å; L101-V104 PolarHBondContact O-N 2.96Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.32Å; V104-V107 PolarHBondContact O-N 3.16Å; V104-T108 PolarHBondContact O-N 3.01Å; V104-T108 VanDerWaalsContact O-N 3.13Å; V104-T108 PolarHBondContact O-OG1 2.88Å; V104-I358 HydrophobicContact CG2-CG1 3.9Å; V104-V362 HydrophobicContact CB-CG2 3.7Å; V104-V362 HydrophobicContact CG1-CG2 3.7Å; V104-V362 HydrophobicContact CG2-CG2 3.37Å |
| 105 | L | 85.5 | Confident | 83.5 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | -179 | -61.1 | 173.5 | 0 | 0 | 0 | 111.4 | L66 Q69 L101 T108 M109 | L66-L105 HydrophobicContact CD1-CD1 4.29Å; Q69-L105 HydrophobicContact CB-CD2 4.26Å; Q69-L105 PolarHBondContact NE2-O 3.11Å; Q69-L105 PolarHBondContact OE1-O 3.1Å; L101-L105 HydrophobicContact CD1-CD1 3.91Å; L101-L105 HydrophobicContact CD1-CD2 4.44Å; L101-L105 HydrophobicContact CD1-CG 4.02Å; L101-L105 HydrophobicContact CG-CD1 4Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 2.88Å; L105-T108 WeakPolarHBondContact CA-OG1 3.29Å; L105-T108 PolarHBondContact O-OG1 2.9Å; L105-T108 VanDerWaalsContact O-OG1 3.12Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 PolarHBondContact O-N 2.71Å |
| 106 | S | 88.1 | Confident | 83.7 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -47 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | F102 F103 V104 M109 I110 | F102-S106 VanDerWaalsContact O-CB 3.22Å; F102-S106 WeakPolarHBondContact O-CB 3.36Å; F102-S106 PolarHBondContact O-N 3.26Å; F102-S106 PolarHBondContact O-OG 2.72Å; F103-S106 PolarHBondContact O-N 2.69Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.32Å; S106-M109 PolarHBondContact O-N 2.67Å; S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.39Å; S106-I110 PolarHBondContact O-N 2.95Å |
| 107 | V | 85.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | F103 V104 I110 K111 V362 | F103-V107 HydrophobicContact CD1-CG2 4.41Å; F103-V107 HydrophobicContact CD2-CG2 4.35Å; F103-V107 HydrophobicContact CE1-CG2 4.07Å; F103-V107 HydrophobicContact CE2-CG2 4Å; F103-V107 HydrophobicContact CZ-CG2 3.85Å; F103-V107 WeakPolarHBondContact O-CG2 3.32Å; F103-V107 PolarHBondContact O-N 3.18Å; V104-V107 PolarHBondContact O-N 3.16Å; V107-I110 PolarHBondContact O-N 2.9Å; V107-K111 PolarHBondContact O-N 2.87Å; V107-V362 HydrophobicContact CB-CG1 4.36Å; V107-V362 HydrophobicContact CG1-CG1 4.07Å; V107-V362 HydrophobicContact CG2-CG1 4.47Å |
| 108 | T | 82.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 177.2 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | Q69 V104 L105 K111 Q112 E365 | Q69-T108 VanDerWaalsContact CD-OG1 3.26Å; Q69-T108 PolarHBondContact NE2-OG1 3.35Å; Q69-T108 PolarHBondContact OE1-OG1 2.66Å; Q69-T108 VanDerWaalsContact OE1-OG1 3.05Å; V104-T108 PolarHBondContact O-N 3.01Å; V104-T108 VanDerWaalsContact O-N 3.13Å; V104-T108 PolarHBondContact O-OG1 2.88Å; L105-T108 WeakPolarHBondContact CA-OG1 3.29Å; L105-T108 PolarHBondContact O-OG1 2.9Å; L105-T108 VanDerWaalsContact O-OG1 3.12Å; T108-K111 PolarHBondContact O-N 2.83Å; T108-Q112 WeakPolarHBondContact O-CG 3.34Å; T108-Q112 PolarHBondContact O-N 2.79Å; T108-E365 HydrophobicContact CG2-CG 4.31Å |
| 109 | M | 87.6 | Confident | 84.5 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 172.5 | -177.7 | 176.9 | 63 | 0 | 0 | 111.5 | F61 F62 L105 S106 K111 Q112 G113 | F61-M109 HydrophobicContact CE1-CG 3.71Å; F61-M109 HydrophobicContact CE1-SD 4.16Å; F61-M109 HydrophobicContact CZ-CG 3.69Å; F61-M109 WeakPolarHBondContact CZ-O 3.19Å; F62-M109 HydrophobicContact CD2-SD 3.78Å; F62-M109 HydrophobicContact CE2-SD 4.06Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 PolarHBondContact O-N 2.71Å; S106-M109 PolarHBondContact O-N 2.67Å; M109-K111 PolarHBondContact O-N 3.47Å; M109-Q112 PolarHBondContact O-N 3.4Å; M109-G113 PolarHBondContact O-N 3.28Å |
| 110 | I | 89.9 | Confident | 84.6 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.4 | -46.2 | 177.2 | -69.9 | 164.3 | 0 | 0 | 0 | 110.8 | S106 V107 G113 Y114 | S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.39Å; S106-I110 PolarHBondContact O-N 2.95Å; V107-I110 PolarHBondContact O-N 2.9Å; I110-G113 PolarHBondContact O-N 2.96Å; I110-Y114 PolarHBondContact O-N 3.05Å |
| 111 | K | 84.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 10% | 0.096 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.8 | -54.8 | 176.2 | -175.6 | -159.5 | 177.7 | -173.4 | 0 | 111.5 | V107 T108 M109 G113 Y114 E115 E365 S395 D396 | V107-K111 PolarHBondContact O-N 2.87Å; T108-K111 PolarHBondContact O-N 2.83Å; M109-K111 PolarHBondContact O-N 3.47Å; K111-G113 VanDerWaalsContact C-N 3.32Å; K111-G113 PolarHBondContact O-N 2.86Å; K111-Y114 WeakPolarHBondContact O-CB 3.19Å; K111-Y114 PolarHBondContact O-N 3.41Å; K111-E115 PolarHBondContact O-N 3.05Å; K111-E365 IonicContact NZ-OE2 3.53Å; K111-E365 PolarHBondContact NZ-OE2 2.95Å; K111-S395 WeakPolarHBondContact CE-OG 3.42Å; K111-S395 PolarHBondContact NZ-OG 3.13Å; K111-D396 IonicContact NZ-OD1 2.77Å; K111-D396 PolarHBondContact NZ-OD1 2.87Å |
| 112 | Q | 82.4 | Confident | 84.9 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -34.5 | -178.2 | -69.8 | -175.4 | 9.1 | 0 | 0 | 112.7 | Y56 N65 T108 M109 E115 D116 | Y56-Q112 PolarHBondContact OH-OE1 3.16Å; Y56-Q112 VanDerWaalsContact OH-OE1 3.07Å; N65-Q112 PolarHBondContact ND2-OE1 3Å; N65-Q112 VanDerWaalsContact ND2-OE1 3.12Å; N65-Q112 PolarHBondContact OD1-OE1 2.88Å; T108-Q112 WeakPolarHBondContact O-CG 3.34Å; T108-Q112 PolarHBondContact O-N 2.79Å; M109-Q112 PolarHBondContact O-N 3.4Å; Q112-E115 PolarHBondContact O-N 3.06Å; Q112-D116 PolarHBondContact O-N 3.37Å |
| 113 | G | 87.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F61 M109 I110 K111 F117 | F61-G113 VanDerWaalsContact CE2-CA 3.46Å; M109-G113 PolarHBondContact O-N 3.28Å; I110-G113 PolarHBondContact O-N 2.96Å; K111-G113 VanDerWaalsContact C-N 3.32Å; K111-G113 PolarHBondContact O-N 2.86Å; G113-F117 WeakPolarHBondContact O-CB 3.47Å; G113-F117 PolarHBondContact O-N 2.89Å |
| 114 | Y | 87.1 | Confident | 85.1 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 48% | 0.475 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 173.3 | -179.2 | -101.8 | 0 | 0 | 0 | 111.9 | I110 K111 D116 F117 L118 F369 | I110-Y114 PolarHBondContact O-N 3.05Å; K111-Y114 WeakPolarHBondContact O-CB 3.19Å; K111-Y114 PolarHBondContact O-N 3.41Å; Y114-D116 PolarHBondContact O-N 3.3Å; Y114-F117 PolarHBondContact O-N 3.35Å; Y114-L118 HydrophobicContact CD1-CD1 4.12Å; Y114-L118 HydrophobicContact CE1-CD1 3.57Å; Y114-L118 HydrophobicContact CE1-CG 4.17Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 3.37Å; Y114-F369 HydrophobicContact CD1-CE2 4.34Å; Y114-F369 HydrophobicContact CE1-CE2 4.33Å |
| 115 | E | 79 | Confident | 85.3 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.1 | -70.4 | -168 | 179.9 | 0 | 0 | 112.6 | K111 Q112 L118 R119 S395 | K111-E115 PolarHBondContact O-N 3.05Å; Q112-E115 PolarHBondContact O-N 3.06Å; E115-L118 PolarHBondContact O-N 2.87Å; E115-R119 PolarHBondContact O-N 3.47Å; E115-R119 VanDerWaalsContact O-N 3.11Å; E115-R119 IonicContact OE2-NH2 3.56Å; E115-R119 PolarHBondContact OE2-NH2 2.88Å; E115-S395 PolarHBondContact OE1-OG 3.1Å |
| 116 | D | 83.6 | Confident | 85.3 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.6 | -29.3 | 179.4 | -143.3 | 52 | 0 | 0 | 0 | 112.7 | T54 K55 Y56 Q112 Y114 R119 L120 | T54-D116 WeakPolarHBondContact CA-OD1 2.94Å; K55-D116 PolarHBondContact N-OD1 3.45Å; K55-D116 PolarHBondContact N-OD2 2.96Å; Y56-D116 HydrophobicContact CD2-CB 4.11Å; Y56-D116 PolarHBondContact N-OD2 3.14Å; Q112-D116 PolarHBondContact O-N 3.37Å; Y114-D116 PolarHBondContact O-N 3.3Å; D116-R119 PolarHBondContact O-N 3.07Å; D116-R119 IonicContact OD1-NH1 3.77Å; D116-R119 PolarHBondContact OD1-NH1 3.04Å; D116-L120 PolarHBondContact O-N 3.11Å |
| 117 | F | 86.7 | Confident | 85.4 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 168.5 | 178.1 | -97.3 | 0 | 0 | 0 | 112.3 | G113 Y114 L120 K121 | G113-F117 WeakPolarHBondContact O-CB 3.47Å; G113-F117 PolarHBondContact O-N 2.89Å; Y114-F117 PolarHBondContact O-N 3.35Å; F117-L120 WeakPolarHBondContact O-CB 3.49Å; F117-L120 PolarHBondContact O-N 2.89Å; F117-K121 PolarHBondContact O-N 3.02Å |
| 118 | L | 84.2 | Confident | 85.7 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 173 | -68.9 | 179.3 | 0 | 0 | 0 | 111.8 | Y114 E115 K121 A122 | Y114-L118 HydrophobicContact CD1-CD1 4.12Å; Y114-L118 HydrophobicContact CE1-CD1 3.57Å; Y114-L118 HydrophobicContact CE1-CG 4.17Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 3.37Å; E115-L118 PolarHBondContact O-N 2.87Å; L118-K121 PolarHBondContact O-N 3.25Å; L118-A122 PolarHBondContact O-N 3.09Å; L118-A122 VanDerWaalsContact O-N 3.1Å |
| 119 | R | 81.4 | Confident | 86 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 18% | 0.177 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 171.3 | -64.5 | -176 | -165.1 | 103.1 | 15.2 | 111.4 | T53 T54 E115 D116 K121 A122 D123 | T53-R119 WeakPolarHBondContact O-CD 3.12Å; T54-R119 HydrophobicContact CG2-CB 4.26Å; E115-R119 PolarHBondContact O-N 3.47Å; E115-R119 VanDerWaalsContact O-N 3.11Å; E115-R119 IonicContact OE2-NH2 3.56Å; E115-R119 PolarHBondContact OE2-NH2 2.88Å; D116-R119 PolarHBondContact O-N 3.07Å; D116-R119 IonicContact OD1-NH1 3.77Å; D116-R119 PolarHBondContact OD1-NH1 3.04Å; R119-K121 VanDerWaalsContact C-N 3.31Å; R119-K121 PolarHBondContact O-N 3.32Å; R119-A122 PolarHBondContact O-N 2.93Å; R119-D123 WeakPolarHBondContact O-CB 3.33Å; R119-D123 PolarHBondContact O-N 3.25Å |
| 120 | L | 85.6 | Confident | 86.2 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.3 | -178.5 | 63 | 0 | 0 | 0 | 112.6 | T54 D116 F117 R124 | T54-L120 HydrophobicContact CG2-CB 3.75Å; T54-L120 HydrophobicContact CG2-CD1 4.18Å; D116-L120 PolarHBondContact O-N 3.11Å; F117-L120 WeakPolarHBondContact O-CB 3.49Å; F117-L120 PolarHBondContact O-N 2.89Å; L120-R124 WeakPolarHBondContact O-CB 3.47Å; L120-R124 VanDerWaalsContact O-CG 3.28Å; L120-R124 WeakPolarHBondContact O-CG 3.38Å; L120-R124 PolarHBondContact O-N 3.38Å |
| 121 | K | 88.2 | Confident | 86.3 | Confident | 144 Ų | 144 | 62.7 Ų | 62.7 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 175.3 | -173 | -179 | 176.7 | -175.1 | 0 | 111.2 | F117 L118 R119 R124 E125 | F117-K121 PolarHBondContact O-N 3.02Å; L118-K121 PolarHBondContact O-N 3.25Å; R119-K121 VanDerWaalsContact C-N 3.31Å; R119-K121 PolarHBondContact O-N 3.32Å; K121-R124 PolarHBondContact O-N 3.16Å; K121-E125 PolarHBondContact O-N 2.89Å; K121-E125 VanDerWaalsContact O-N 3.16Å |
| 122 | A | 80.7 | Confident | 86.6 | Confident | 33 Ų | 33 | 64 Ų | 64 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L118 R119 R124 E125 I126 | L118-A122 PolarHBondContact O-N 3.09Å; L118-A122 VanDerWaalsContact O-N 3.1Å; R119-A122 PolarHBondContact O-N 2.93Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.19Å; A122-E125 WeakPolarHBondContact O-CB 3.34Å; A122-E125 PolarHBondContact O-N 2.9Å; A122-I126 WeakPolarHBondContact O-CG1 3.27Å; A122-I126 PolarHBondContact O-N 3.12Å |
| 123 | D | 85.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 173 | -80.6 | -14 | 0 | 0 | 0 | 111.2 | T52 T53 T54 R119 E125 I126 N127 | T52-D123 WeakPolarHBondContact CA-OD2 3.25Å; T53-D123 WeakPolarHBondContact CB-OD1 3.44Å; T53-D123 WeakPolarHBondContact CG2-OD1 3.47Å; T53-D123 VanDerWaalsContact N-CG 3.31Å; T53-D123 PolarHBondContact N-OD1 3.5Å; T53-D123 VanDerWaalsContact N-OD1 3.07Å; T53-D123 PolarHBondContact N-OD2 3.02Å; T53-D123 VanDerWaalsContact OG1-CG 3.29Å; T53-D123 PolarHBondContact OG1-OD1 3.36Å; T53-D123 PolarHBondContact OG1-OD2 2.94Å; T54-D123 PolarHBondContact N-OD2 3.17Å; R119-D123 WeakPolarHBondContact O-CB 3.33Å; R119-D123 PolarHBondContact O-N 3.25Å; D123-E125 PolarHBondContact O-N 3.43Å; D123-I126 PolarHBondContact O-N 3.11Å; D123-N127 VanDerWaalsContact O-CB 3.25Å; D123-N127 WeakPolarHBondContact O-CB 3.33Å; D123-N127 VanDerWaalsContact O-CG 3.26Å; D123-N127 PolarHBondContact O-N 3.27Å; D123-N127 PolarHBondContact O-ND2 2.91Å |
| 124 | R | 89.8 | Confident | 87.1 | Confident | 141 Ų | 141 | 62.7 Ų | 62.7 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 178.7 | -78.8 | 174.1 | -177.2 | -171.6 | 1.7 | 111.8 | L120 K121 A122 I126 N127 H128 | L120-R124 WeakPolarHBondContact O-CB 3.47Å; L120-R124 VanDerWaalsContact O-CG 3.28Å; L120-R124 WeakPolarHBondContact O-CG 3.38Å; L120-R124 PolarHBondContact O-N 3.38Å; K121-R124 PolarHBondContact O-N 3.16Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.19Å; R124-I126 PolarHBondContact O-N 3.5Å; R124-N127 PolarHBondContact O-N 3.02Å; R124-H128 VanDerWaalsContact O-CB 3.28Å; R124-H128 WeakPolarHBondContact O-CB 3.28Å; R124-H128 PolarHBondContact O-CD2 2.75Å; R124-H128 PolarHBondContact O-N 3.28Å |
| 125 | E | 87.2 | Confident | 87.1 | Confident | 131 Ų | 131 | 58.6 Ų | 58.6 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.3 | -50.8 | 176.5 | -170.2 | -173.4 | -179.6 | 0 | 0 | 111.4 | K121 A122 D123 H128 I129 | K121-E125 PolarHBondContact O-N 2.89Å; K121-E125 VanDerWaalsContact O-N 3.16Å; A122-E125 WeakPolarHBondContact O-CB 3.34Å; A122-E125 PolarHBondContact O-N 2.9Å; D123-E125 PolarHBondContact O-N 3.43Å; E125-H128 PolarHBondContact O-N 2.91Å; E125-I129 PolarHBondContact O-N 2.79Å |
| 126 | I | 85 | Confident | 87.3 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.6 | -57.1 | 163.6 | 0 | 0 | 0 | 111.6 | V51 A122 D123 R124 H128 I129 | V51-I126 HydrophobicContact CB-CG2 4.44Å; V51-I126 HydrophobicContact CG2-CG2 3.9Å; A122-I126 WeakPolarHBondContact O-CG1 3.27Å; A122-I126 PolarHBondContact O-N 3.12Å; D123-I126 PolarHBondContact O-N 3.11Å; R124-I126 PolarHBondContact O-N 3.5Å; I126-H128 PolarHBondContact O-N 3.17Å; I126-I129 HydrophobicContact CG2-CD1 4.48Å; I126-I129 WeakPolarHBondContact O-CG1 3.42Å; I126-I129 PolarHBondContact O-N 3.36Å |
| 127 | N | 90.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.032 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -22.7 | -177.5 | -79.4 | -55.5 | 0 | 0 | 0 | 113.2 | K50 V51 D123 R124 S145 M146 | K50-N127 WeakPolarHBondContact CA-OD1 3.39Å; V51-N127 PolarHBondContact N-OD1 2.98Å; V51-N127 PolarHBondContact O-ND2 3.17Å; D123-N127 VanDerWaalsContact O-CB 3.25Å; D123-N127 WeakPolarHBondContact O-CB 3.33Å; D123-N127 VanDerWaalsContact O-CG 3.26Å; D123-N127 PolarHBondContact O-N 3.27Å; D123-N127 PolarHBondContact O-ND2 2.91Å; R124-N127 PolarHBondContact O-N 3.02Å; N127-S145 PolarHBondContact O-N 3.42Å; N127-M146 HydrophobicContact CB-CB 3.9Å; N127-M146 HydrophobicContact CB-CG 4.3Å; N127-M146 WeakPolarHBondContact O-CG 3.39Å; N127-M146 PolarHBondContact O-N 3.17Å |
| 128 | H | 91.3 | Very high | 86.8 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2.9 | -178.2 | -78.1 | -120.8 | 0 | 0 | 0 | 114.2 | R124 E125 I126 | R124-H128 VanDerWaalsContact O-CB 3.28Å; R124-H128 WeakPolarHBondContact O-CB 3.28Å; R124-H128 PolarHBondContact O-CD2 2.75Å; R124-H128 PolarHBondContact O-N 3.28Å; E125-H128 PolarHBondContact O-N 2.91Å; I126-H128 PolarHBondContact O-N 3.17Å |
| 129 | I | 88.7 | Confident | 86.9 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | trans | -53.3 | 127.5 | 171.9 | -65.3 | 171.9 | 0 | 0 | 0 | 109 | E125 I126 I131 S145 | E125-I129 PolarHBondContact O-N 2.79Å; I126-I129 HydrophobicContact CG2-CD1 4.48Å; I126-I129 WeakPolarHBondContact O-CG1 3.42Å; I126-I129 PolarHBondContact O-N 3.36Å; I129-I131 HydrophobicContact CG2-CG1 4.49Å; I129-S145 PolarHBondContact O-N 3.47Å | ||
| 130 | P | 91.3 | Very high | 87.1 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.3 | 177.8 | 31.3 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 131 | I | 91.7 | Very high | 87.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.5 | -176.5 | -57.2 | 179.9 | 0 | 0 | 0 | 109.2 | I129 T142 V143 L148 I154 P163 | I129-I131 HydrophobicContact CG2-CG1 4.49Å; I131-T142 WeakPolarHBondContact O-CA 3.45Å; I131-V143 PolarHBondContact N-O 2.82Å; I131-V143 PolarHBondContact O-N 2.72Å; I131-L148 HydrophobicContact CD1-CD1 3.52Å; I131-L148 HydrophobicContact CD1-CG 4.16Å; I131-L148 HydrophobicContact CG2-CD1 4.46Å; I131-L148 HydrophobicContact CG2-CD2 4.32Å; I131-I154 HydrophobicContact CG2-CG2 3.56Å; I131-P163 HydrophobicContact CD1-CB 3.34Å; I131-P163 HydrophobicContact CD1-CG 3.76Å |
| 132 | E | 91.2 | Very high | 87.4 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.1 | 177.8 | -65.3 | 173 | 154.7 | 0 | 0 | 110.2 | T142 L155 R157 | E132-T142 HydrophobicContact CG-CG2 4.02Å; E132-L155 HydrophobicContact CB-CB 4.08Å; E132-L155 PolarHBondContact O-N 2.89Å; E132-L155 WeakPolarHBondContact OE2-CD2 3.29Å; E132-R157 IonicContact OE1-CZ 3.34Å; E132-R157 IonicContact OE1-NE 3.23Å; E132-R157 IonicContact OE1-NH2 2.77Å; E132-R157 PolarHBondContact OE1-NH2 2.88Å; E132-R157 IonicContact OE2-CZ 2.76Å; E132-R157 IonicContact OE2-NE 3.43Å; E132-R157 PolarHBondContact OE2-NE 3.3Å; E132-R157 IonicContact OE2-NH2 3.42Å; E132-R157 PolarHBondContact OE2-NH2 2.87Å; E132-R157 VanDerWaalsContact OE2-NH2 3.13Å |
| 133 | I | 92 | Very high | 87.9 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.5 | 174.3 | 67.6 | 165.8 | 0 | 0 | 0 | 111.5 | L140 T141 V143 L148 I153 I154 | I133-L140 WeakPolarHBondContact O-CA 3.23Å; I133-T141 PolarHBondContact N-O 3.1Å; I133-T141 PolarHBondContact O-N 3.16Å; I133-V143 HydrophobicContact CD1-CB 4.29Å; I133-V143 HydrophobicContact CD1-CG2 3.63Å; I133-V143 HydrophobicContact CG1-CB 4.43Å; I133-V143 HydrophobicContact CG1-CG2 3.87Å; I133-L148 HydrophobicContact CG2-CD2 3.63Å; I133-I153 VanDerWaalsContact CA-O 3.32Å; I133-I153 WeakPolarHBondContact CA-O 3.43Å; I133-I154 HydrophobicContact CG2-CG1 4.2Å |
| 134 | V | 89.6 | Confident | 88.3 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.4 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | L140 I153 P206 A210 Y268 | V134-L140 HydrophobicContact CG2-CD2 3.97Å; V134-I153 HydrophobicContact CB-CB 4.18Å; V134-I153 HydrophobicContact CB-CG2 4.26Å; V134-I153 HydrophobicContact CG2-CB 4.24Å; V134-I153 HydrophobicContact CG2-CG2 3.79Å; V134-I153 PolarHBondContact N-O 3.17Å; V134-P206 HydrophobicContact CG1-CB 4.01Å; V134-P206 WeakPolarHBondContact CG1-O 3.42Å; V134-P206 HydrophobicContact CG2-CB 4.02Å; V134-A210 HydrophobicContact CG1-CB 4.17Å; V134-Y268 HydrophobicContact CG2-CD1 4.24Å; V134-Y268 HydrophobicContact CG2-CE1 4.03Å |
| 135 | T | 86.4 | Confident | 88.4 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | trans | -90.6 | 168.4 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | N137 G138 H139 T141 A210 | T135-N137 PolarHBondContact O-N 2.77Å; T135-G138 PolarHBondContact O-N 3.3Å; T135-H139 WeakPolarHBondContact CB-O 3.3Å; T135-H139 PolarHBondContact N-O 2.8Å; T135-H139 PolarHBondContact OG1-N 3.38Å; T135-H139 PolarHBondContact OG1-O 2.87Å; T135-T141 HydrophobicContact CG2-CG2 3.51Å; T135-T141 WeakPolarHBondContact CG2-OG1 3.35Å; T135-A210 WeakPolarHBondContact O-CB 3.47Å | ||
| 136 | E | 82.7 | Confident | 88.6 | Confident | 112 Ų | 112 | 55.8 Ų | 55.8 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.4 | 176.3 | -66.6 | 156.4 | -161.8 | 0 | 0 | 112.7 | A29 G138 | A29-E136 HydrophobicContact CB-CG 3.3Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.13Å |
| 137 | N | 80.3 | Confident | 88.9 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.7 | -179.9 | -61.8 | -11.4 | 0 | 0 | 0 | 113.6 | T135 H139 | T135-N137 PolarHBondContact O-N 2.77Å; N137-H139 VanDerWaalsContact C-N 3.32Å; N137-H139 PolarHBondContact O-N 3.29Å |
| 138 | G | 80.1 | Confident | 89 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 80.5 | 5.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | T135 E136 P206 | T135-G138 PolarHBondContact O-N 3.3Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.13Å; G138-P206 CarbonylContact O-C 3.52Å; G138-P206 VanDerWaalsContact O-CB 3.3Å; G138-P206 WeakPolarHBondContact O-CB 3.47Å; G138-P206 WeakPolarHBondContact O-CG 3.36Å |
| 139 | H | 85.6 | Confident | 89 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | trans | -89.9 | 148.9 | 177.1 | -59.6 | -38.1 | 0 | 0 | 0 | 112.2 | T135 N137 | T135-H139 WeakPolarHBondContact CB-O 3.3Å; T135-H139 PolarHBondContact N-O 2.8Å; T135-H139 PolarHBondContact OG1-N 3.38Å; T135-H139 PolarHBondContact OG1-O 2.87Å; N137-H139 VanDerWaalsContact C-N 3.32Å; N137-H139 PolarHBondContact O-N 3.29Å | ||
| 140 | L | 85.8 | Confident | 89.2 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.2 | 169.3 | -64.8 | 170.3 | 0 | 0 | 0 | 109.8 | I133 V134 L155 P206 Y268 A531 | I133-L140 WeakPolarHBondContact O-CA 3.23Å; V134-L140 HydrophobicContact CG2-CD2 3.97Å; L140-L155 HydrophobicContact CD1-CD2 3.66Å; L140-L155 HydrophobicContact CD2-CB 4.32Å; L140-L155 HydrophobicContact CD2-CD2 4.06Å; L140-P206 HydrophobicContact CD2-CB 4.18Å; L140-P206 HydrophobicContact CG-CB 4.31Å; L140-P206 HydrophobicContact CG-CG 4.34Å; L140-Y268 HydrophobicContact CD2-CE1 4.44Å; L140-A531 HydrophobicContact CD1-CB 3.78Å |
| 141 | T | 89 | Confident | 89.1 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.9 | 171.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | I133 T135 | I133-T141 PolarHBondContact N-O 3.1Å; I133-T141 PolarHBondContact O-N 3.16Å; T135-T141 HydrophobicContact CG2-CG2 3.51Å; T135-T141 WeakPolarHBondContact CG2-OG1 3.35Å |
| 142 | T | 90.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.3 | 179.2 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | I131 E132 | I131-T142 WeakPolarHBondContact O-CA 3.45Å; E132-T142 HydrophobicContact CG-CG2 4.02Å |
| 143 | V | 91.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.1 | -176.9 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | I131 I133 E147 | I131-V143 PolarHBondContact N-O 2.82Å; I131-V143 PolarHBondContact O-N 2.72Å; I133-V143 HydrophobicContact CD1-CB 4.29Å; I133-V143 HydrophobicContact CD1-CG2 3.63Å; I133-V143 HydrophobicContact CG1-CB 4.43Å; I133-V143 HydrophobicContact CG1-CG2 3.87Å; V143-E147 HydrophobicContact CG1-CB 3.48Å; V143-E147 VanDerWaalsContact CG1-CB 3.48Å |
| 144 | K | 93.3 | Very high | 89.3 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.3 | 179.5 | -55.6 | -172.6 | -155.9 | 82.8 | 0 | 110.6 | M146 E147 | K144-M146 HydrophobicContact CB-CG 4.35Å; K144-M146 HydrophobicContact CD-CE 4.23Å; K144-M146 PolarHBondContact O-N 2.95Å; K144-M146 VanDerWaalsContact O-N 3.09Å; K144-E147 HydrophobicContact CB-CG 4.46Å; K144-E147 PolarHBondContact N-OE2 2.89Å; K144-E147 IonicContact NZ-OE1 2.67Å; K144-E147 PolarHBondContact NZ-OE1 3.02Å; K144-E147 IonicContact NZ-OE2 3Å; K144-E147 WeakPolarHBondContact O-CA 3.16Å; K144-E147 WeakPolarHBondContact O-CB 3.35Å; K144-E147 PolarHBondContact O-N 3.13Å |
| 145 | S | 91.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -48.6 | -41.6 | 178 | -173.8 | 0 | 0 | 0 | 0 | 114.3 | N49 N127 I129 E147 L148 | N49-S145 WeakPolarHBondContact CB-O 3.39Å; N49-S145 PolarHBondContact ND2-O 2.85Å; N49-S145 PolarHBondContact ND2-OG 2.75Å; N127-S145 PolarHBondContact O-N 3.42Å; I129-S145 PolarHBondContact O-N 3.47Å; S145-E147 VanDerWaalsContact C-N 3.25Å; S145-E147 PolarHBondContact O-N 2.69Å; S145-L148 PolarHBondContact O-N 2.88Å |
| 146 | M | 92.5 | Very high | 89.7 | Confident | 40 Ų | 40 | 42 Ų | 42 | 20% | 0.197 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -69.9 | -14.3 | 177.9 | 68.2 | 161.5 | -173 | 0 | 0 | 115.9 | K50 N127 K144 | K50-M146 HydrophobicContact CB-CB 4.41Å; N127-M146 HydrophobicContact CB-CB 3.9Å; N127-M146 HydrophobicContact CB-CG 4.3Å; N127-M146 WeakPolarHBondContact O-CG 3.39Å; N127-M146 PolarHBondContact O-N 3.17Å; K144-M146 HydrophobicContact CB-CG 4.35Å; K144-M146 HydrophobicContact CD-CE 4.23Å; K144-M146 PolarHBondContact O-N 2.95Å; K144-M146 VanDerWaalsContact O-N 3.09Å |
| 147 | E | 91.6 | Very high | 90 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.29 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -91.7 | -11.2 | -178.7 | -75.1 | 154.5 | -166.3 | 0 | 0 | 111.8 | V143 K144 S145 | V143-E147 HydrophobicContact CG1-CB 3.48Å; V143-E147 VanDerWaalsContact CG1-CB 3.48Å; K144-E147 HydrophobicContact CB-CG 4.46Å; K144-E147 PolarHBondContact N-OE2 2.89Å; K144-E147 IonicContact NZ-OE1 2.67Å; K144-E147 PolarHBondContact NZ-OE1 3.02Å; K144-E147 IonicContact NZ-OE2 3Å; K144-E147 WeakPolarHBondContact O-CA 3.16Å; K144-E147 WeakPolarHBondContact O-CB 3.35Å; K144-E147 PolarHBondContact O-N 3.13Å; S145-E147 VanDerWaalsContact C-N 3.25Å; S145-E147 PolarHBondContact O-N 2.69Å |
| 148 | L | 91.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -58.4 | 135.3 | 173.8 | -69.3 | -179.1 | 0 | 0 | 0 | 112.8 | N49 I131 I133 S145 I154 P163 | N49-L148 HydrophobicContact CB-CB 3.86Å; N49-L148 PolarHBondContact N-O 3.48Å; I131-L148 HydrophobicContact CD1-CD1 3.52Å; I131-L148 HydrophobicContact CD1-CG 4.16Å; I131-L148 HydrophobicContact CG2-CD1 4.46Å; I131-L148 HydrophobicContact CG2-CD2 4.32Å; I133-L148 HydrophobicContact CG2-CD2 3.63Å; S145-L148 PolarHBondContact O-N 2.88Å; L148-I154 HydrophobicContact CD1-CD1 3.75Å; L148-I154 HydrophobicContact CD2-CD1 3.97Å; L148-I154 HydrophobicContact CD2-CG1 4.06Å; L148-I154 HydrophobicContact CG-CD1 4.48Å; L148-P163 HydrophobicContact CD1-CB 3.95Å; L148-P163 HydrophobicContact CD1-CG 3.86Å | ||
| 149 | E | 91 | Very high | 90.3 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | trans | -119.4 | 156.2 | 175.1 | -55.2 | -166.2 | 164.7 | 0 | 0 | 111.7 | R43 G151 N152 | R43-E149 WeakPolarHBondContact CB-OE1 3.37Å; R43-E149 WeakPolarHBondContact CD-OE1 3.44Å; R43-E149 WeakPolarHBondContact CG-OE1 3.41Å; E149-G151 PolarHBondContact O-N 2.9Å; E149-N152 WeakPolarHBondContact CA-OD1 3.34Å; E149-N152 WeakPolarHBondContact CB-OD1 3.48Å; E149-N152 PolarHBondContact N-OD1 2.94Å; E149-N152 PolarHBondContact O-N 2.81Å; E149-N152 PolarHBondContact O-OD1 2.87Å; E149-N152 VanDerWaalsContact O-OD1 3.04Å | ||
| 150 | V | 92.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 138.1 | 172.5 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | I25 K32 Y46 T274 | I25-V150 HydrophobicContact CB-CG1 4.21Å; I25-V150 HydrophobicContact CD1-CG1 3.66Å; I25-V150 HydrophobicContact CG1-CG1 3.63Å; I25-V150 HydrophobicContact CG2-CG1 3.63Å; K32-V150 VanDerWaalsContact CE-O 3.23Å; K32-V150 WeakPolarHBondContact CE-O 3.47Å; K32-V150 PolarHBondContact NZ-O 3.37Å; Y46-V150 HydrophobicContact CD2-CB 3.89Å; Y46-V150 HydrophobicContact CD2-CG1 3.86Å; Y46-V150 HydrophobicContact CD2-CG2 3.93Å; Y46-V150 HydrophobicContact CE2-CG1 4.12Å; Y46-V150 HydrophobicContact CG-CG2 4.15Å; V150-T274 HydrophobicContact CG2-CG2 3.98Å |
| 151 | G | 90.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P26 G28 E149 A271 | P26-G151 VanDerWaalsContact O-CA 3.27Å; P26-G151 WeakPolarHBondContact O-CA 3.29Å; G28-G151 WeakPolarHBondContact CA-O 3.3Å; G28-G151 PolarHBondContact N-O 2.83Å; E149-G151 PolarHBondContact O-N 2.9Å; G151-A271 PolarHBondContact N-O 2.86Å |
| 152 | N | 92.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -68.7 | 142.3 | 170.3 | -68.6 | 131.1 | 0 | 0 | 0 | 110.8 | E149 C270 A271 | E149-N152 WeakPolarHBondContact CA-OD1 3.34Å; E149-N152 WeakPolarHBondContact CB-OD1 3.48Å; E149-N152 PolarHBondContact N-OD1 2.94Å; E149-N152 PolarHBondContact O-N 2.81Å; E149-N152 PolarHBondContact O-OD1 2.87Å; E149-N152 VanDerWaalsContact O-OD1 3.04Å; N152-C270 WeakPolarHBondContact O-CA 3.33Å; N152-A271 PolarHBondContact O-N 2.57Å | ||
| 153 | I | 93.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.3 | 170.4 | -60.5 | 170.1 | 0 | 0 | 0 | 107.6 | V27 I133 V134 L169 L213 Y268 G269 | V27-I153 HydrophobicContact CG1-CD1 4.41Å; I133-I153 VanDerWaalsContact CA-O 3.32Å; I133-I153 WeakPolarHBondContact CA-O 3.43Å; V134-I153 HydrophobicContact CB-CB 4.18Å; V134-I153 HydrophobicContact CB-CG2 4.26Å; V134-I153 HydrophobicContact CG2-CB 4.24Å; V134-I153 HydrophobicContact CG2-CG2 3.79Å; V134-I153 PolarHBondContact N-O 3.17Å; I153-L169 HydrophobicContact CD1-CD1 4.28Å; I153-L169 HydrophobicContact CG1-CD1 4.09Å; I153-L169 HydrophobicContact CG2-CD1 4.26Å; I153-L213 HydrophobicContact CD1-CD2 4.25Å; I153-Y268 HydrophobicContact CG2-CD1 4.32Å; I153-G269 WeakPolarHBondContact CA-O 3.29Å |
| 154 | I | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.1 | -174.2 | -62.9 | 162.5 | 0 | 0 | 0 | 108.6 | I131 I133 L148 P163 M166 Y268 G269 A271 | I131-I154 HydrophobicContact CG2-CG2 3.56Å; I133-I154 HydrophobicContact CG2-CG1 4.2Å; L148-I154 HydrophobicContact CD1-CD1 3.75Å; L148-I154 HydrophobicContact CD2-CD1 3.97Å; L148-I154 HydrophobicContact CD2-CG1 4.06Å; L148-I154 HydrophobicContact CG-CD1 4.48Å; I154-P163 HydrophobicContact CD1-CG 4.24Å; I154-P163 HydrophobicContact CG2-CG 4.47Å; I154-M166 HydrophobicContact CB-CE 4.09Å; I154-M166 HydrophobicContact CD1-CE 3.78Å; I154-M166 HydrophobicContact CG2-CE 4.08Å; I154-Y268 WeakPolarHBondContact O-CA 3.39Å; I154-G269 PolarHBondContact N-O 2.88Å; I154-G269 PolarHBondContact O-N 3.37Å; I154-A271 HydrophobicContact CD1-CB 3.99Å |
| 155 | L | 92.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.9 | 167.9 | 175.7 | 56.7 | 0 | 0 | 0 | 109.1 | E132 L140 Y266 Y268 P532 | E132-L155 HydrophobicContact CB-CB 4.08Å; E132-L155 PolarHBondContact O-N 2.89Å; E132-L155 WeakPolarHBondContact OE2-CD2 3.29Å; L140-L155 HydrophobicContact CD1-CD2 3.66Å; L140-L155 HydrophobicContact CD2-CB 4.32Å; L140-L155 HydrophobicContact CD2-CD2 4.06Å; L155-Y266 HydrophobicContact CD1-CD2 3.9Å; L155-Y266 HydrophobicContact CD1-CG 4.25Å; L155-Y268 HydrophobicContact CB-CD1 4.11Å; L155-Y268 HydrophobicContact CB-CE1 3.86Å; L155-Y268 HydrophobicContact CD1-CD1 4.1Å; L155-Y268 HydrophobicContact CD1-CE1 3.77Å; L155-Y268 HydrophobicContact CD1-CE2 4.35Å; L155-Y268 HydrophobicContact CD2-CE1 4.27Å; L155-Y268 HydrophobicContact CG-CE1 4.18Å; L155-P532 HydrophobicContact CD1-CG 4.31Å; L155-P532 HydrophobicContact CD2-CG 4.12Å |
| 156 | C | 91 | Very high | 90.7 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.8 | 172.5 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | F162 Y266 V267 | C156-F162 HydrophobicContact CB-CD1 4.04Å; C156-F162 HydrophobicContact CB-CE1 3.81Å; C156-Y266 CarbonylContact O-C 3.55Å; C156-Y266 VanDerWaalsContact O-CA 3.23Å; C156-Y266 WeakPolarHBondContact O-CA 3.44Å; C156-V267 HydrophobicContact CB-CG2 3.99Å; C156-V267 PolarHBondContact N-O 3.19Å; C156-V267 PolarHBondContact O-N 3.26Å |
| 157 | R | 89 | Confident | 90.8 | Very high | 76 Ų | 76 | 24.5 Ų | 24.5 | 29% | 0.287 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 165.5 | -177.1 | -59.2 | -178.5 | -175.6 | -132.1 | 14.9 | 111 | E132 S160 D265 | E132-R157 IonicContact OE1-CZ 3.34Å; E132-R157 IonicContact OE1-NE 3.23Å; E132-R157 IonicContact OE1-NH2 2.77Å; E132-R157 PolarHBondContact OE1-NH2 2.88Å; E132-R157 IonicContact OE2-CZ 2.76Å; E132-R157 IonicContact OE2-NE 3.43Å; E132-R157 PolarHBondContact OE2-NE 3.3Å; E132-R157 IonicContact OE2-NH2 3.42Å; E132-R157 PolarHBondContact OE2-NH2 2.87Å; E132-R157 VanDerWaalsContact OE2-NH2 3.13Å; R157-S160 PolarHBondContact N-OG 3.39Å; R157-S160 VanDerWaalsContact O-CB 3.31Å; R157-S160 WeakPolarHBondContact O-CB 3.32Å; R157-S160 PolarHBondContact O-N 2.92Å; R157-S160 VanDerWaalsContact O-N 3.12Å; R157-S160 PolarHBondContact O-OG 3.01Å; R157-D265 CarbonylContact C-O 3.6Å |
| 158 | N | 84.6 | Confident | 91 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 28% | 0.283 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 143.7 | 177.7 | -163 | 7.1 | 0 | 0 | 0 | 111.4 | S160 L261 R262 T264 D265 | N158-S160 PolarHBondContact O-N 2.93Å; N158-S160 VanDerWaalsContact O-N 3.11Å; N158-L261 PolarHBondContact OD1-O 3.18Å; N158-R262 WeakPolarHBondContact OD1-CA 3.49Å; N158-T264 WeakPolarHBondContact CB-O 3.4Å; N158-T264 VanDerWaalsContact CG-O 3.3Å; N158-T264 PolarHBondContact OD1-O 3.43Å; N158-D265 PolarHBondContact N-O 2.95Å |
| 159 | N | 82.3 | Confident | 91 | Very high | 101 Ų | 101 | 21.6 Ų | 21.6 | 54% | 0.54 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 5.8 | -177 | -56.1 | -42.2 | 0 | 0 | 0 | 116.1 | L261 R262 | N159-L261 VanDerWaalsContact CA-O 3.29Å; N159-L261 WeakPolarHBondContact CA-O 2.96Å; N159-L261 PolarHBondContact N-O 3.46Å; N159-R262 WeakPolarHBondContact OD1-CD 3.48Å; N159-R262 PolarHBondContact OD1-NH1 3.4Å |
| 160 | S | 84.7 | Confident | 90.9 | Very high | 39 Ų | 39 | 19.3 Ų | 19.3 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | P | Polyproline II helix | trans | -85.3 | 150.8 | 171.7 | 72 | 0 | 0 | 0 | 0 | 112.3 | R157 N158 C260 L261 | R157-S160 PolarHBondContact N-OG 3.39Å; R157-S160 VanDerWaalsContact O-CB 3.31Å; R157-S160 WeakPolarHBondContact O-CB 3.32Å; R157-S160 PolarHBondContact O-N 2.92Å; R157-S160 VanDerWaalsContact O-N 3.12Å; R157-S160 PolarHBondContact O-OG 3.01Å; N158-S160 PolarHBondContact O-N 2.93Å; N158-S160 VanDerWaalsContact O-N 3.11Å; S160-C260 WeakPolarHBondContact O-CA 3.4Å; S160-L261 PolarHBondContact O-N 2.93Å |
| 161 | S | 86.3 | Confident | 90.8 | Very high | 69 Ų | 69 | 19.2 Ų | 19.2 | 48% | 0.483 | 11% | 0.107 | S | C | . | . | B | Isolated β-bridge | trans | -93.8 | 139.1 | 175.3 | 59 | 0 | 0 | 0 | 0 | 111.2 | A259 | S161-A259 CarbonylContact C-O 3.56Å; S161-A259 WeakPolarHBondContact CA-O 3.37Å |
| 162 | F | 92.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 129.5 | -179.1 | -59.5 | -63.4 | 0 | 0 | 0 | 111.1 | C156 M166 V180 L255 R257 G258 A259 L261 V267 | C156-F162 HydrophobicContact CB-CD1 4.04Å; C156-F162 HydrophobicContact CB-CE1 3.81Å; F162-M166 HydrophobicContact CD1-CE 4.31Å; F162-M166 HydrophobicContact CD1-SD 3.95Å; F162-M166 HydrophobicContact CE1-SD 4.5Å; F162-V180 HydrophobicContact CE2-CG1 3.95Å; F162-V180 HydrophobicContact CE2-CG2 3.98Å; F162-V180 HydrophobicContact CZ-CG2 4.23Å; F162-L255 HydrophobicContact CD1-CB 4.42Å; F162-L255 HydrophobicContact CD1-CD1 4.37Å; F162-L255 HydrophobicContact CD2-CB 4.06Å; F162-L255 HydrophobicContact CE1-CB 4.42Å; F162-L255 HydrophobicContact CE1-CD1 3.77Å; F162-L255 HydrophobicContact CE2-CB 4.05Å; F162-L255 HydrophobicContact CE2-CD1 4.46Å; F162-L255 HydrophobicContact CE2-CD2 4.26Å; F162-L255 HydrophobicContact CE2-CG 4.49Å; F162-L255 HydrophobicContact CG-CB 4.27Å; F162-L255 HydrophobicContact CZ-CB 4.24Å; F162-L255 HydrophobicContact CZ-CD1 3.83Å; F162-L255 HydrophobicContact CZ-CD2 4.18Å; F162-L255 HydrophobicContact CZ-CG 4.31Å; F162-R257 WeakPolarHBondContact O-CA 3.21Å; F162-G258 PolarHBondContact O-N 3.47Å; F162-A259 HydrophobicContact CD2-CB 4.1Å; F162-A259 WeakPolarHBondContact CD2-O 3.23Å; F162-A259 HydrophobicContact CE2-CB 4.49Å; F162-A259 PolarHBondContact N-O 3.23Å; F162-L261 HydrophobicContact CZ-CB 4.08Å; F162-L261 HydrophobicContact CZ-CD1 4.13Å; F162-V267 HydrophobicContact CE1-CG2 3.88Å; F162-V267 HydrophobicContact CZ-CG2 4.37Å |
| 163 | P | 91.3 | Very high | 90 | Very high | 19 Ų | 19 | 18.7 Ų | 18.7 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -79.3 | -21.1 | -172.7 | 32.3 | -40 | 0 | 0 | 0 | 114.4 | N49 I131 L148 I154 M166 R257 | N49-P163 PolarHBondContact ND2-O 2.98Å; N49-P163 VanDerWaalsContact ND2-O 3.07Å; I131-P163 HydrophobicContact CD1-CB 3.34Å; I131-P163 HydrophobicContact CD1-CG 3.76Å; L148-P163 HydrophobicContact CD1-CB 3.95Å; L148-P163 HydrophobicContact CD1-CG 3.86Å; I154-P163 HydrophobicContact CD1-CG 4.24Å; I154-P163 HydrophobicContact CG2-CG 4.47Å; P163-M166 HydrophobicContact CG-CE 3.99Å; P163-R257 WeakPolarHBondContact O-CD 3.49Å |
| 164 | C | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -158 | 168.4 | -176.4 | 65.4 | 0 | 0 | 0 | 0 | 108.7 | M166 Y273 T274 T278 | C164-M166 PolarHBondContact O-N 2.68Å; C164-Y273 WeakPolarHBondContact CB-O 3.28Å; C164-T274 HydrophobicContact CB-CG2 4.18Å; C164-T278 HydrophobicContact CB-CG2 4.38Å |
| 165 | D | 94.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.4 | 178.2 | -54.3 | -17.4 | 0 | 0 | 0 | 108.6 | L254 L255 R257 V272 Y273 T278 K279 | D165-L254 HydrophobicContact CB-CD1 4.37Å; D165-L255 CarbonylContact C-O 3.55Å; D165-L255 WeakPolarHBondContact CA-O 3.46Å; D165-R257 VanDerWaalsContact OD1-CB 3.23Å; D165-R257 WeakPolarHBondContact OD1-CB 3.36Å; D165-R257 PolarHBondContact OD1-N 3.12Å; D165-V272 PolarHBondContact O-N 3.01Å; D165-Y273 HydrophobicContact CB-CD2 3.89Å; D165-Y273 HydrophobicContact CB-CG 4.46Å; D165-Y273 PolarHBondContact N-O 3.31Å; D165-Y273 VanDerWaalsContact N-O 3.17Å; D165-Y273 PolarHBondContact O-N 2.97Å; D165-T278 WeakPolarHBondContact OD2-CA 3.34Å; D165-K279 PolarHBondContact OD2-N 3.09Å |
| 166 | M | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 148.2 | -170.9 | 63.5 | 177.1 | 65.8 | 0 | 0 | 112.8 | I154 F162 P163 C164 L255 C270 | I154-M166 HydrophobicContact CB-CE 4.09Å; I154-M166 HydrophobicContact CD1-CE 3.78Å; I154-M166 HydrophobicContact CG2-CE 4.08Å; F162-M166 HydrophobicContact CD1-CE 4.31Å; F162-M166 HydrophobicContact CD1-SD 3.95Å; F162-M166 HydrophobicContact CE1-SD 4.5Å; P163-M166 HydrophobicContact CG-CE 3.99Å; C164-M166 PolarHBondContact O-N 2.68Å; M166-L255 HydrophobicContact CG-CB 3.8Å; M166-L255 HydrophobicContact CG-CD1 4.09Å; M166-L255 HydrophobicContact CG-CG 4.42Å; M166-L255 PolarHBondContact N-O 3.32Å; M166-L255 PolarHBondContact O-N 3.49Å; M166-L255 HydrophobicContact SD-CD1 4.26Å; M166-C270 CarbonylContact C-O 3.6Å; M166-C270 WeakPolarHBondContact CA-O 3.38Å; M166-C270 VanDerWaalsContact CB-O 3.26Å; M166-C270 WeakPolarHBondContact CB-O 3.36Å |
| 167 | I | 94.8 | Very high | 88 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.5 | 172.8 | -75.7 | 155.1 | 0 | 0 | 0 | 109.5 | L169 I217 F229 L249 N253 L254 G269 C270 V272 | I167-L169 PolarHBondContact O-N 3.48Å; I167-I217 HydrophobicContact CD1-CD1 3.78Å; I167-I217 HydrophobicContact CD1-CG1 4.36Å; I167-I217 HydrophobicContact CD1-CG2 3.75Å; I167-F229 HydrophobicContact CD1-CE1 4.34Å; I167-F229 HydrophobicContact CD1-CZ 4.11Å; I167-F229 HydrophobicContact CG1-CE1 4.43Å; I167-F229 HydrophobicContact CG1-CZ 4.46Å; I167-L249 HydrophobicContact CD1-CD1 3.53Å; I167-L249 HydrophobicContact CG1-CD1 4.38Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å; I167-N253 WeakPolarHBondContact CA-O 3.48Å; I167-L254 HydrophobicContact CG1-CD1 4.35Å; I167-G269 CarbonylContact O-C 3.41Å; I167-G269 WeakPolarHBondContact O-CA 3.46Å; I167-C270 PolarHBondContact N-O 3.12Å; I167-C270 PolarHBondContact O-N 2.93Å; I167-V272 HydrophobicContact CB-CG2 4.34Å; I167-V272 HydrophobicContact CD1-CG2 3.49Å; I167-V272 VanDerWaalsContact CD1-CG2 3.49Å; I167-V272 HydrophobicContact CG1-CG2 3.75Å |
| 168 | L | 94.5 | Very high | 88 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 115.7 | 176.4 | 176.5 | 62.1 | 0 | 0 | 0 | 110.8 | F194 V196 N253 L255 V267 | L168-F194 HydrophobicContact CD2-CB 4.3Å; L168-V196 HydrophobicContact CD1-CG2 4.36Å; L168-V196 HydrophobicContact CD2-CG2 4.02Å; L168-V196 HydrophobicContact CG-CG2 3.76Å; L168-N253 PolarHBondContact N-O 2.81Å; L168-L255 HydrophobicContact CB-CD1 4.12Å; L168-L255 HydrophobicContact CB-CG 4.24Å; L168-L255 HydrophobicContact CD1-CD1 4.22Å; L168-V267 HydrophobicContact CD1-CB 3.76Å; L168-V267 HydrophobicContact CD1-CG1 3.87Å |
| 169 | L | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -39.4 | 179.1 | -63.6 | 178.1 | 0 | 0 | 0 | 112.5 | V27 I153 I167 V196 T200 L213 I233 Y268 C270 | V27-L169 HydrophobicContact CG1-CD1 4.16Å; V27-L169 HydrophobicContact CG1-CD2 4.43Å; I153-L169 HydrophobicContact CD1-CD1 4.28Å; I153-L169 HydrophobicContact CG1-CD1 4.09Å; I153-L169 HydrophobicContact CG2-CD1 4.26Å; I167-L169 PolarHBondContact O-N 3.48Å; L169-V196 WeakPolarHBondContact O-CG1 3.31Å; L169-T200 HydrophobicContact CD2-CG2 4.49Å; L169-T200 CarbonylContact O-C 3.5Å; L169-T200 VanDerWaalsContact O-CB 3.24Å; L169-T200 WeakPolarHBondContact O-CB 3.31Å; L169-T200 PolarHBondContact O-OG1 3.15Å; L169-L213 HydrophobicContact CD1-CD2 3.81Å; L169-L213 HydrophobicContact CD2-CD2 4.42Å; L169-I233 HydrophobicContact CD2-CD1 4.15Å; L169-Y268 PolarHBondContact N-O 3Å; L169-C270 HydrophobicContact CD1-CB 4.04Å; L169-C270 HydrophobicContact CD2-CB 4.47Å; L169-C270 HydrophobicContact CG-CB 4.31Å |
| 170 | S | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 148.4 | -175.6 | -168.7 | 0 | 0 | 0 | 0 | 111 | F203 V267 Y268 R534 | S170-F203 WeakPolarHBondContact CB-O 3.18Å; S170-F203 PolarHBondContact OG-O 3.32Å; S170-V267 WeakPolarHBondContact O-CA 3.45Å; S170-Y268 PolarHBondContact N-O 3.24Å; S170-Y268 PolarHBondContact O-N 3.42Å; S170-R534 PolarHBondContact OG-NH2 2.73Å |
| 171 | S | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 155.5 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | E173 E177 R534 | S171-E173 PolarHBondContact O-N 2.92Å; S171-E173 PolarHBondContact OG-N 2.81Å; S171-E177 WeakPolarHBondContact CB-O 3.33Å; S171-E177 PolarHBondContact OG-O 2.92Å; S171-R534 PolarHBondContact O-NE 2.92Å; S171-R534 PolarHBondContact O-NH2 3.27Å |
| 172 | S | 84.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.028 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -60.8 | -27.5 | 169.6 | 67.5 | 0 | 0 | 0 | 0 | 113 | T264 D265 Y266 | S172-T264 WeakPolarHBondContact OG-CG2 3.47Å; S172-D265 PolarHBondContact OG-N 2.94Å; S172-D265 VanDerWaalsContact OG-N 3.1Å; S172-Y266 PolarHBondContact N-O 3.18Å |
| 173 | E | 81.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -78.9 | 133.6 | 177.1 | -68.8 | -57.3 | 115 | 0 | 0 | 111.8 | S171 S175 G176 E177 S537 R541 | S171-E173 PolarHBondContact O-N 2.92Å; S171-E173 PolarHBondContact OG-N 2.81Å; E173-S175 PolarHBondContact O-N 3.16Å; E173-S175 VanDerWaalsContact O-N 3.16Å; E173-G176 PolarHBondContact O-N 3.19Å; E173-E177 HydrophobicContact CB-CG 4.28Å; E173-E177 HydrophobicContact CG-CG 4.47Å; E173-S537 PolarHBondContact OE1-OG 2.87Å; E173-R541 IonicContact OE1-CZ 2.85Å; E173-R541 IonicContact OE1-NH2 3.57Å; E173-R541 PolarHBondContact OE1-NH2 3.22Å; E173-R541 IonicContact OE2-CZ 2.7Å; E173-R541 VanDerWaalsContact OE2-CZ 3.23Å; E173-R541 IonicContact OE2-NH1 2.74Å; E173-R541 PolarHBondContact OE2-NH1 3.33Å; E173-R541 IonicContact OE2-NH2 2.74Å; E173-R541 PolarHBondContact OE2-NH2 3.31Å |
| 174 | P | 78 | Confident | 85.2 | Confident | 94 Ų | 94 | 12.4 Ų | 12.4 | 61% | 0.61 | 8% | 0.078 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.1 | -179.1 | -26.6 | 34.9 | 0 | 0 | 0 | 114.4 | G176 N201 | P174-G176 PolarHBondContact O-N 3.22Å; P174-N201 PolarHBondContact O-ND2 2.87Å |
| 175 | S | 79.8 | Confident | 84 | Confident | 79 Ų | 79 | 13 Ų | 13 | 55% | 0.552 | 8% | 0.081 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.1 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 114 | E173 E177 | E173-S175 PolarHBondContact O-N 3.16Å; E173-S175 VanDerWaalsContact O-N 3.16Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 WeakPolarHBondContact OG-CG 3.32Å |
| 176 | G | 83 | Confident | 82.6 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 74 | 15.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | E173 P174 V196 N201 | E173-G176 PolarHBondContact O-N 3.19Å; P174-G176 PolarHBondContact O-N 3.22Å; G176-V196 WeakPolarHBondContact O-CG2 3.27Å; G176-V196 PolarHBondContact O-N 3.16Å; G176-N201 VanDerWaalsContact CA-OD1 3.28Å; G176-N201 WeakPolarHBondContact CA-OD1 3.26Å; G176-N201 PolarHBondContact N-ND2 3.09Å |
| 177 | E | 87.9 | Confident | 80.7 | Confident | 17 Ų | 17 | 14.7 Ų | 14.7 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 150 | 171.9 | 80.7 | -169.7 | -176.5 | 0 | 0 | 111.3 | S171 E173 S175 F179 K193 F194 R508 | S171-E177 WeakPolarHBondContact CB-O 3.33Å; S171-E177 PolarHBondContact OG-O 2.92Å; E173-E177 HydrophobicContact CB-CG 4.28Å; E173-E177 HydrophobicContact CG-CG 4.47Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 WeakPolarHBondContact OG-CG 3.32Å; E177-F179 HydrophobicContact CG-CE2 4.07Å; E177-F179 HydrophobicContact CG-CZ 4.41Å; E177-K193 HydrophobicContact CB-CD 4.3Å; E177-K193 HydrophobicContact CB-CG 4.35Å; E177-K193 VanDerWaalsContact OE2-CE 3.27Å; E177-K193 WeakPolarHBondContact OE2-CE 3.46Å; E177-K193 IonicContact OE2-NZ 3.22Å; E177-K193 PolarHBondContact OE2-NZ 3.07Å; E177-F194 CarbonylContact C-O 3.57Å; E177-F194 WeakPolarHBondContact CA-O 3.45Å; E177-R508 IonicContact OE1-CZ 2.85Å; E177-R508 IonicContact OE1-NH1 3.25Å; E177-R508 PolarHBondContact OE1-NH1 3.44Å; E177-R508 IonicContact OE1-NH2 2.88Å; E177-R508 PolarHBondContact OE1-NH2 3.29Å |
| 178 | C | 89.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156.8 | 161.9 | 71.7 | 0 | 0 | 0 | 0 | 111 | K193 F194 L261 T264 V267 | C178-K193 WeakPolarHBondContact O-CA 3.22Å; C178-F194 PolarHBondContact N-O 3.36Å; C178-F194 PolarHBondContact O-N 3.15Å; C178-L261 HydrophobicContact CB-CD1 4.07Å; C178-T264 WeakPolarHBondContact CA-OG1 3.43Å; C178-T264 HydrophobicContact CB-CG2 3.79Å; C178-V267 HydrophobicContact CB-CG1 3.7Å |
| 179 | F | 88.2 | Confident | 77.6 | Confident | 31 Ų | 31 | 21.2 Ų | 21.2 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135 | 178.9 | -61.3 | -86.5 | 0 | 0 | 0 | 110.7 | E177 L191 K192 K193 R262 N263 T264 | E177-F179 HydrophobicContact CG-CE2 4.07Å; E177-F179 HydrophobicContact CG-CZ 4.41Å; F179-L191 HydrophobicContact CB-CB 4.32Å; F179-L191 HydrophobicContact CB-CD1 4.46Å; F179-L191 HydrophobicContact CD1-CB 4.44Å; F179-K192 WeakPolarHBondContact CA-O 3.39Å; F179-K193 HydrophobicContact CD1-CB 4.22Å; F179-K193 HydrophobicContact CE1-CB 4Å; F179-K193 HydrophobicContact CE1-CD 4.38Å; F179-K193 HydrophobicContact CE1-CG 4.39Å; F179-R262 CarbonylContact C-O 3.51Å; F179-R262 WeakPolarHBondContact CB-O 3.18Å; F179-R262 PolarHBondContact O-N 2.91Å; F179-N263 HydrophobicContact CB-CB 4.27Å; F179-N263 HydrophobicContact CD2-CB 4.22Å; F179-N263 HydrophobicContact CG-CB 4.47Å; F179-T264 PolarHBondContact N-OG1 2.92Å; F179-T264 VanDerWaalsContact N-OG1 3.16Å |
| 180 | V | 88.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.7 | -174 | 177 | 0 | 0 | 0 | 0 | 109.1 | F162 T182 K192 F194 L255 A259 C260 L261 | F162-V180 HydrophobicContact CE2-CG1 3.95Å; F162-V180 HydrophobicContact CE2-CG2 3.98Å; F162-V180 HydrophobicContact CZ-CG2 4.23Å; V180-T182 HydrophobicContact CG1-CG2 4.24Å; V180-K192 PolarHBondContact N-O 3.42Å; V180-K192 PolarHBondContact O-N 3.28Å; V180-F194 HydrophobicContact CB-CD2 3.83Å; V180-F194 HydrophobicContact CB-CE2 3.77Å; V180-F194 HydrophobicContact CG1-CE2 4.25Å; V180-F194 HydrophobicContact CG2-CD2 3.71Å; V180-F194 HydrophobicContact CG2-CE2 4.08Å; V180-F194 HydrophobicContact CG2-CG 4.46Å; V180-L255 HydrophobicContact CG2-CD2 3.92Å; V180-A259 HydrophobicContact CG1-CB 3.64Å; V180-C260 WeakPolarHBondContact CA-O 3.38Å; V180-L261 HydrophobicContact CG2-CD1 4.47Å |
| 181 | T | 81.5 | Confident | 75.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.2 | 163.9 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | A183 A259 C260 R262 E918 | T181-A183 WeakPolarHBondContact OG1-CB 3.16Å; T181-A183 PolarHBondContact OG1-N 2.86Å; T181-A259 WeakPolarHBondContact O-CB 3.21Å; T181-C260 HydrophobicContact CG2-CB 3.71Å; T181-C260 PolarHBondContact N-O 2.75Å; T181-C260 PolarHBondContact O-N 3.25Å; T181-C260 VanDerWaalsContact O-N 3.09Å; T181-R262 HydrophobicContact CG2-CG 3.8Å; T181-E918 PolarHBondContact OG1-OE1 3.42Å |
| 182 | T | 75.6 | Confident | 75.6 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -104.6 | 9.2 | 173.8 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | V180 S184 L185 D186 K192 A259 | V180-T182 HydrophobicContact CG1-CG2 4.24Å; T182-S184 PolarHBondContact O-N 3.01Å; T182-L185 WeakPolarHBondContact O-CA 3.43Å; T182-L185 WeakPolarHBondContact O-CB 3.21Å; T182-L185 PolarHBondContact O-N 3.19Å; T182-D186 VanDerWaalsContact C-OD1 3.31Å; T182-D186 VanDerWaalsContact CB-OD1 3.25Å; T182-D186 WeakPolarHBondContact CB-OD1 3.37Å; T182-D186 WeakPolarHBondContact CB-OD2 3.44Å; T182-D186 PolarHBondContact O-N 2.74Å; T182-D186 PolarHBondContact OG1-OD1 3.47Å; T182-D186 PolarHBondContact OG1-OD2 3.25Å; T182-K192 HydrophobicContact CG2-CD 4.03Å; T182-K192 WeakPolarHBondContact OG1-CD 3.49Å; T182-K192 WeakPolarHBondContact OG1-CE 3.44Å; T182-K192 PolarHBondContact OG1-NZ 3.45Å; T182-A259 HydrophobicContact CG2-CB 4.26Å | ||
| 183 | A | 64.5 | Low | 75.7 | Confident | 8 Ų | 8 | 33 Ų | 33 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.4 | -30.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | T181 L185 G187 E188 E918 | T181-A183 WeakPolarHBondContact OG1-CB 3.16Å; T181-A183 PolarHBondContact OG1-N 2.86Å; A183-L185 PolarHBondContact O-N 3.38Å; A183-G187 VanDerWaalsContact O-CA 3.31Å; A183-G187 WeakPolarHBondContact O-CA 3.49Å; A183-G187 PolarHBondContact O-N 3.23Å; A183-G187 VanDerWaalsContact O-N 3.16Å; A183-E188 PolarHBondContact N-O 3.36Å; A183-E918 WeakPolarHBondContact CB-OE2 3.32Å |
| 184 | S | 65.4 | Low | 76.2 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.9 | 9.1 | 172.2 | 62 | 0 | 0 | 0 | 0 | 115.4 | T182 G258 A899 Q921 | T182-S184 PolarHBondContact O-N 3.01Å; S184-G258 WeakPolarHBondContact CB-O 3.49Å; S184-G258 PolarHBondContact OG-O 2.86Å; S184-A899 WeakPolarHBondContact O-CB 3.37Å; S184-Q921 PolarHBondContact O-NE2 2.72Å |
| 185 | L | 68 | Low | 76.8 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -141.2 | -45.8 | -178.8 | -68.4 | 178 | 0 | 0 | 0 | 113 | T182 A183 L226 L256 A259 L280 N900 | T182-L185 WeakPolarHBondContact O-CA 3.43Å; T182-L185 WeakPolarHBondContact O-CB 3.21Å; T182-L185 PolarHBondContact O-N 3.19Å; A183-L185 PolarHBondContact O-N 3.38Å; L185-L226 HydrophobicContact CB-CD1 4.34Å; L185-L256 HydrophobicContact CD1-CB 3.5Å; L185-L256 VanDerWaalsContact CD1-CB 3.5Å; L185-L256 HydrophobicContact CD1-CD1 3.91Å; L185-L256 HydrophobicContact CD1-CG 4.37Å; L185-A259 HydrophobicContact CD1-CB 3.96Å; L185-L280 HydrophobicContact CD2-CB 4.24Å; L185-L280 HydrophobicContact CD2-CD1 3.56Å; L185-L280 HydrophobicContact CD2-CG 4.37Å; L185-N900 VanDerWaalsContact C-OD1 3.3Å; L185-N900 PolarHBondContact O-OD1 3.26Å; L185-N900 VanDerWaalsContact O-OD1 3.08Å |
| 186 | D | 65.2 | Low | 77.3 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -126.1 | 4.9 | -177.5 | 61.9 | 24.5 | 0 | 0 | 0 | 113.9 | T182 E188 K192 Y227 N900 | T182-D186 VanDerWaalsContact C-OD1 3.31Å; T182-D186 VanDerWaalsContact CB-OD1 3.25Å; T182-D186 WeakPolarHBondContact CB-OD1 3.37Å; T182-D186 WeakPolarHBondContact CB-OD2 3.44Å; T182-D186 PolarHBondContact O-N 2.74Å; T182-D186 PolarHBondContact OG1-OD1 3.47Å; T182-D186 PolarHBondContact OG1-OD2 3.25Å; D186-E188 PolarHBondContact O-N 3.49Å; D186-E188 PolarHBondContact OD1-N 2.83Å; D186-K192 IonicContact OD1-NZ 3.13Å; D186-K192 IonicContact OD2-NZ 3.42Å; D186-K192 PolarHBondContact OD2-NZ 2.87Å; D186-Y227 WeakPolarHBondContact CB-OH 3.35Å; D186-Y227 PolarHBondContact OD2-OH 2.95Å; D186-Y227 VanDerWaalsContact OD2-OH 3.07Å; D186-N900 WeakPolarHBondContact CA-OD1 3.34Å; D186-N900 PolarHBondContact N-OD1 3.34Å; D186-N900 PolarHBondContact O-ND2 2.9Å; D186-N900 PolarHBondContact O-OD1 3.31Å |
| 187 | G | 54.9 | Low | 77 | Confident | 21 Ų | 21 | 30.1 Ų | 30.1 | 22% | 0.216 | 16% | 0.157 | C | C | . | . | trans | 67.9 | 3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A183 T189 N900 | A183-G187 VanDerWaalsContact O-CA 3.31Å; A183-G187 WeakPolarHBondContact O-CA 3.49Å; A183-G187 PolarHBondContact O-N 3.23Å; A183-G187 VanDerWaalsContact O-N 3.16Å; G187-T189 PolarHBondContact O-N 3.45Å; G187-N900 WeakPolarHBondContact CA-ND2 3.44Å; G187-N900 PolarHBondContact N-ND2 3.36Å; G187-N900 PolarHBondContact N-OD1 3.18Å | ||
| 188 | E | 62.9 | Low | 76.3 | Confident | 85 Ų | 85 | 31 Ų | 31 | 40% | 0.397 | 17% | 0.171 | S | C | . | . | trans | -78.2 | 114.9 | 174.6 | -65.8 | -179.3 | -158.8 | 0 | 0 | 109.4 | A183 D186 N190 K192 | A183-E188 PolarHBondContact N-O 3.36Å; D186-E188 PolarHBondContact O-N 3.49Å; D186-E188 PolarHBondContact OD1-N 2.83Å; E188-N190 PolarHBondContact O-N 2.87Å; E188-K192 IonicContact OE1-NZ 2.7Å; E188-K192 WeakPolarHBondContact OE2-CE 3.49Å; E188-K192 IonicContact OE2-NZ 2.72Å; E188-K192 PolarHBondContact OE2-NZ 3.12Å | ||
| 189 | T | 60.5 | Low | 75.8 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | trans | -75.1 | -13.2 | 177.6 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | G187 T412 | G187-T189 PolarHBondContact O-N 3.45Å; T189-T412 HydrophobicContact CG2-CG2 3.65Å | ||
| 190 | N | 69.3 | Low | 75.7 | Confident | 78 Ų | 78 | 34.7 Ų | 34.7 | 42% | 0.417 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -69.8 | 137.6 | 177.1 | -62.3 | -47.8 | 0 | 0 | 0 | 110.5 | E188 K192 | E188-N190 PolarHBondContact O-N 2.87Å; N190-K192 PolarHBondContact O-N 2.98Å |
| 191 | L | 77.8 | Confident | 75.5 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 120.1 | 177.4 | -63.5 | -178.4 | 0 | 0 | 0 | 110.8 | F179 R262 N263 | F179-L191 HydrophobicContact CB-CB 4.32Å; F179-L191 HydrophobicContact CB-CD1 4.46Å; F179-L191 HydrophobicContact CD1-CB 4.44Å; L191-R262 HydrophobicContact CD1-CB 4.23Å; L191-R262 HydrophobicContact CD2-CB 3.72Å; L191-R262 HydrophobicContact CD2-CG 3.86Å; L191-N263 HydrophobicContact CD1-CB 4.43Å; L191-N263 WeakPolarHBondContact CD1-ND2 3.23Å |
| 192 | K | 82.4 | Confident | 75.5 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 19% | 0.191 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.7 | 177.8 | -62.2 | -170.9 | -176.2 | -172.5 | 0 | 109.8 | F179 V180 T182 D186 E188 N190 F194 | F179-K192 WeakPolarHBondContact CA-O 3.39Å; V180-K192 PolarHBondContact N-O 3.42Å; V180-K192 PolarHBondContact O-N 3.28Å; T182-K192 HydrophobicContact CG2-CD 4.03Å; T182-K192 WeakPolarHBondContact OG1-CD 3.49Å; T182-K192 WeakPolarHBondContact OG1-CE 3.44Å; T182-K192 PolarHBondContact OG1-NZ 3.45Å; D186-K192 IonicContact OD1-NZ 3.13Å; D186-K192 IonicContact OD2-NZ 3.42Å; D186-K192 PolarHBondContact OD2-NZ 2.87Å; E188-K192 IonicContact OE1-NZ 2.7Å; E188-K192 WeakPolarHBondContact OE2-CE 3.49Å; E188-K192 IonicContact OE2-NZ 2.72Å; E188-K192 PolarHBondContact OE2-NZ 3.12Å; N190-K192 PolarHBondContact O-N 2.98Å; K192-F194 HydrophobicContact CB-CD2 4.37Å; K192-F194 HydrophobicContact CB-CE2 3.77Å |
| 193 | K | 86.7 | Confident | 75.8 | Confident | 91 Ų | 91 | 44.8 Ų | 44.8 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.3 | 176.1 | 174.1 | 169.7 | 158.8 | 167.6 | 0 | 110.5 | E177 C178 F179 E195 | E177-K193 HydrophobicContact CB-CD 4.3Å; E177-K193 HydrophobicContact CB-CG 4.35Å; E177-K193 VanDerWaalsContact OE2-CE 3.27Å; E177-K193 WeakPolarHBondContact OE2-CE 3.46Å; E177-K193 IonicContact OE2-NZ 3.22Å; E177-K193 PolarHBondContact OE2-NZ 3.07Å; C178-K193 WeakPolarHBondContact O-CA 3.22Å; F179-K193 HydrophobicContact CD1-CB 4.22Å; F179-K193 HydrophobicContact CE1-CB 4Å; F179-K193 HydrophobicContact CE1-CD 4.38Å; F179-K193 HydrophobicContact CE1-CG 4.39Å; K193-E195 WeakPolarHBondContact CE-OE1 3.39Å; K193-E195 HydrophobicContact CG-CG 4.48Å; K193-E195 IonicContact NZ-OE1 3.09Å |
| 194 | F | 90.8 | Very high | 76.5 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 154.4 | 171.7 | -71.2 | -102.3 | 0 | 0 | 0 | 109.6 | L168 E177 C178 V180 K192 P251 K252 L254 L255 | L168-F194 HydrophobicContact CD2-CB 4.3Å; E177-F194 CarbonylContact C-O 3.57Å; E177-F194 WeakPolarHBondContact CA-O 3.45Å; C178-F194 PolarHBondContact N-O 3.36Å; C178-F194 PolarHBondContact O-N 3.15Å; V180-F194 HydrophobicContact CB-CD2 3.83Å; V180-F194 HydrophobicContact CB-CE2 3.77Å; V180-F194 HydrophobicContact CG1-CE2 4.25Å; V180-F194 HydrophobicContact CG2-CD2 3.71Å; V180-F194 HydrophobicContact CG2-CE2 4.08Å; V180-F194 HydrophobicContact CG2-CG 4.46Å; K192-F194 HydrophobicContact CB-CD2 4.37Å; K192-F194 HydrophobicContact CB-CE2 3.77Å; F194-P251 WeakPolarHBondContact CE1-O 3.46Å; F194-K252 WeakPolarHBondContact CA-O 3.32Å; F194-K252 WeakPolarHBondContact CB-O 3.13Å; F194-K252 VanDerWaalsContact CD1-O 3.28Å; F194-K252 WeakPolarHBondContact CD1-O 3.44Å; F194-L254 VanDerWaalsContact CE1-O 3.22Å; F194-L254 WeakPolarHBondContact CE1-O 3.48Å; F194-L255 HydrophobicContact CB-CD2 4.12Å; F194-L255 HydrophobicContact CD1-CD2 4.03Å; F194-L255 HydrophobicContact CD2-CD2 4.45Å; F194-L255 HydrophobicContact CG-CD2 3.95Å |
| 195 | E | 90.6 | Very high | 77.2 | Confident | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.9 | -171.5 | -68.1 | 170.6 | 156.7 | 0 | 0 | 110.5 | K193 K252 N253 | K193-E195 WeakPolarHBondContact CE-OE1 3.39Å; K193-E195 HydrophobicContact CG-CG 4.48Å; K193-E195 IonicContact NZ-OE1 3.09Å; E195-K252 PolarHBondContact N-O 3.34Å; E195-K252 IonicContact OE2-NZ 3.25Å; E195-N253 PolarHBondContact O-ND2 3.2Å |
| 196 | V | 90.4 | Very high | 78 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | trans | -64.7 | 135.3 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L168 L169 G176 T200 N201 | L168-V196 HydrophobicContact CD1-CG2 4.36Å; L168-V196 HydrophobicContact CD2-CG2 4.02Å; L168-V196 HydrophobicContact CG-CG2 3.76Å; L169-V196 WeakPolarHBondContact O-CG1 3.31Å; G176-V196 WeakPolarHBondContact O-CG2 3.27Å; G176-V196 PolarHBondContact O-N 3.16Å; V196-T200 WeakPolarHBondContact CG1-OG1 3.42Å; V196-N201 HydrophobicContact CB-CB 4.23Å; V196-N201 HydrophobicContact CG1-CB 3.83Å; V196-N201 HydrophobicContact CG2-CB 4.48Å | ||
| 197 | A | 77.9 | Confident | 78.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | trans | -84.9 | 114.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L249 N253 | A197-L249 HydrophobicContact CB-CD2 3.39Å; A197-N253 HydrophobicContact CB-CB 4.36Å | ||
| 198 | G | 73 | Confident | 80.2 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | 74 | -142.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114 | T200 | G198-T200 PolarHBondContact O-N 3.26Š|
| 199 | H | 78.9 | Confident | 81.3 | Confident | 107 Ų | 107 | 47 Ų | 47 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -86.6 | -0.3 | -166.9 | -76.9 | 48.3 | 0 | 0 | 0 | 115.1 | N201 K202 Y247 | H199-N201 PolarHBondContact O-N 3.03Å; H199-K202 PolarHBondContact O-N 2.92Å; H199-Y247 AromaticContact ND1-CE1 3.75Å; H199-Y247 AromaticContact ND1-CZ 3.87Å |
| 200 | T | 84.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68.1 | -18.6 | -176.3 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | L169 V196 G198 K202 F203 L213 I233 L235 | L169-T200 HydrophobicContact CD2-CG2 4.49Å; L169-T200 CarbonylContact O-C 3.5Å; L169-T200 VanDerWaalsContact O-CB 3.24Å; L169-T200 WeakPolarHBondContact O-CB 3.31Å; L169-T200 PolarHBondContact O-OG1 3.15Å; V196-T200 WeakPolarHBondContact CG1-OG1 3.42Å; G198-T200 PolarHBondContact O-N 3.26Å; T200-K202 PolarHBondContact O-N 3.2Å; T200-F203 WeakPolarHBondContact O-CD2 3.45Å; T200-F203 PolarHBondContact O-N 2.98Å; T200-L213 HydrophobicContact CG2-CD1 3.81Å; T200-I233 HydrophobicContact CG2-CD1 4.35Å; T200-L235 HydrophobicContact CG2-CD1 3.65Å |
| 201 | N | 84.2 | Confident | 82.8 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.7 | -11 | 178.9 | -165.6 | 41.9 | 0 | 0 | 0 | 114.3 | P174 G176 V196 H199 R534 | P174-N201 PolarHBondContact O-ND2 2.87Å; G176-N201 VanDerWaalsContact CA-OD1 3.28Å; G176-N201 WeakPolarHBondContact CA-OD1 3.26Å; G176-N201 PolarHBondContact N-ND2 3.09Å; V196-N201 HydrophobicContact CB-CB 4.23Å; V196-N201 HydrophobicContact CG1-CB 3.83Å; V196-N201 HydrophobicContact CG2-CB 4.48Å; H199-N201 PolarHBondContact O-N 3.03Å; N201-R534 PolarHBondContact O-NH1 2.61Å; N201-R534 PolarHBondContact O-NH2 2.73Å; N201-R534 PolarHBondContact OD1-NH2 2.78Å |
| 202 | K | 82.1 | Confident | 82.9 | Confident | 150 Ų | 150 | 47.8 Ų | 47.8 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -74.8 | -29.3 | 173.9 | -63.7 | -175.9 | -179.4 | -173.9 | 0 | 113.1 | H199 T200 D204 | H199-K202 PolarHBondContact O-N 2.92Å; T200-K202 PolarHBondContact O-N 3.2Å; K202-D204 PolarHBondContact O-N 2.6Å |
| 203 | F | 81.1 | Confident | 83 | Confident | 37 Ų | 37 | 46 Ų | 46 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | trans | -86 | 101.3 | -176.2 | -46.3 | -56.4 | 0 | 0 | 0 | 108.9 | S170 T200 S208 L209 E212 L213 | S170-F203 WeakPolarHBondContact CB-O 3.18Å; S170-F203 PolarHBondContact OG-O 3.32Å; T200-F203 WeakPolarHBondContact O-CD2 3.45Å; T200-F203 PolarHBondContact O-N 2.98Å; F203-S208 VanDerWaalsContact CD1-OG 3.24Å; F203-S208 WeakPolarHBondContact CD1-OG 3.21Å; F203-L209 HydrophobicContact CB-CD2 3.59Å; F203-L209 HydrophobicContact CB-CG 3.97Å; F203-L209 HydrophobicContact CG-CD2 4.48Å; F203-E212 HydrophobicContact CD1-CB 4.18Å; F203-E212 WeakPolarHBondContact CD1-OE2 3.32Å; F203-E212 HydrophobicContact CE1-CB 3.7Å; F203-E212 HydrophobicContact CZ-CB 4.38Å; F203-L213 HydrophobicContact CD2-CB 4.25Å; F203-L213 HydrophobicContact CD2-CD1 3.83Å; F203-L213 HydrophobicContact CE2-CB 4.26Å; F203-L213 HydrophobicContact CE2-CD1 3.57Å; F203-L213 HydrophobicContact CE2-CG 4.5Å | ||
| 204 | D | 79.1 | Confident | 82.9 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | trans | -112.7 | -14.9 | -175 | 70.8 | -23.7 | 0 | 0 | 0 | 114.4 | K202 Y268 R534 | K202-D204 PolarHBondContact O-N 2.6Å; D204-Y268 WeakPolarHBondContact O-CE2 3.49Å; D204-R534 HydrophobicContact CB-CG 4.18Å | ||
| 205 | T | 81.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -102.4 | 151.2 | 173.6 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | E207 S208 L209 | T205-E207 VanDerWaalsContact CB-OE2 3.28Å; T205-E207 WeakPolarHBondContact CB-OE2 3.05Å; T205-E207 PolarHBondContact O-N 2.89Å; T205-E207 PolarHBondContact OG1-OE2 3.09Å; T205-S208 PolarHBondContact O-N 3.35Å; T205-S208 VanDerWaalsContact OG1-CB 3.28Å; T205-S208 WeakPolarHBondContact OG1-CB 3.2Å; T205-S208 PolarHBondContact OG1-N 3.09Å; T205-S208 VanDerWaalsContact OG1-N 3.16Å; T205-L209 WeakPolarHBondContact O-CG 3.32Å; T205-L209 PolarHBondContact O-N 3.27Å |
| 206 | P | 83.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -27.2 | 177.1 | 30.2 | -36.2 | 0 | 0 | 0 | 112.1 | V134 G138 L140 A210 A531 | V134-P206 HydrophobicContact CG1-CB 4.01Å; V134-P206 WeakPolarHBondContact CG1-O 3.42Å; V134-P206 HydrophobicContact CG2-CB 4.02Å; G138-P206 CarbonylContact O-C 3.52Å; G138-P206 VanDerWaalsContact O-CB 3.3Å; G138-P206 WeakPolarHBondContact O-CB 3.47Å; G138-P206 WeakPolarHBondContact O-CG 3.36Å; L140-P206 HydrophobicContact CD2-CB 4.18Å; L140-P206 HydrophobicContact CG-CB 4.31Å; L140-P206 HydrophobicContact CG-CG 4.34Å; P206-A210 WeakPolarHBondContact O-CB 3.33Å; P206-A210 PolarHBondContact O-N 2.71Å; P206-A531 HydrophobicContact CG-CB 3.83Å |
| 207 | E | 83.4 | Confident | 82.9 | Confident | 92 Ų | 92 | 40.3 Ų | 40.3 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.3 | -42.9 | 174.6 | -56.7 | 82.7 | 179.6 | 0 | 0 | 112.3 | T205 A210 S211 | T205-E207 VanDerWaalsContact CB-OE2 3.28Å; T205-E207 WeakPolarHBondContact CB-OE2 3.05Å; T205-E207 PolarHBondContact O-N 2.89Å; T205-E207 PolarHBondContact OG1-OE2 3.09Å; E207-A210 PolarHBondContact O-N 3.08Å; E207-S211 WeakPolarHBondContact O-CB 3.43Å; E207-S211 PolarHBondContact O-N 3.32Å; E207-S211 PolarHBondContact O-OG 3.17Å |
| 208 | S | 84.2 | Confident | 83.6 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 175 | 167.6 | 0 | 0 | 0 | 0 | 111 | F203 T205 A210 S211 E212 | F203-S208 VanDerWaalsContact CD1-OG 3.24Å; F203-S208 WeakPolarHBondContact CD1-OG 3.21Å; T205-S208 PolarHBondContact O-N 3.35Å; T205-S208 VanDerWaalsContact OG1-CB 3.28Å; T205-S208 WeakPolarHBondContact OG1-CB 3.2Å; T205-S208 PolarHBondContact OG1-N 3.09Å; T205-S208 VanDerWaalsContact OG1-N 3.16Å; S208-A210 VanDerWaalsContact C-N 3.28Å; S208-A210 PolarHBondContact O-N 2.91Å; S208-S211 PolarHBondContact O-N 3.34Å; S208-E212 WeakPolarHBondContact CB-OE2 3.37Å; S208-E212 WeakPolarHBondContact O-CB 3.06Å; S208-E212 PolarHBondContact O-N 3.15Å; S208-E212 PolarHBondContact OG-OE2 2.97Å |
| 209 | L | 84.4 | Confident | 84.5 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -30.5 | 174.6 | -74.2 | 168.4 | 0 | 0 | 0 | 113.9 | F203 T205 L213 Y268 | F203-L209 HydrophobicContact CB-CD2 3.59Å; F203-L209 HydrophobicContact CB-CG 3.97Å; F203-L209 HydrophobicContact CG-CD2 4.48Å; T205-L209 WeakPolarHBondContact O-CG 3.32Å; T205-L209 PolarHBondContact O-N 3.27Å; L209-L213 HydrophobicContact CD2-CD2 3.87Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-Y268 HydrophobicContact CD1-CD1 3.64Å; L209-Y268 HydrophobicContact CD1-CD2 3.62Å; L209-Y268 HydrophobicContact CD1-CE1 4.01Å; L209-Y268 HydrophobicContact CD1-CE2 3.99Å; L209-Y268 HydrophobicContact CD1-CG 3.42Å; L209-Y268 VanDerWaalsContact CD1-CG 3.42Å |
| 210 | A | 82.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -81.8 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V30 V134 T135 P206 E207 S208 | V30-A210 WeakPolarHBondContact CG2-O 3.22Å; V134-A210 HydrophobicContact CG1-CB 4.17Å; T135-A210 WeakPolarHBondContact O-CB 3.47Å; P206-A210 WeakPolarHBondContact O-CB 3.33Å; P206-A210 PolarHBondContact O-N 2.71Å; E207-A210 PolarHBondContact O-N 3.08Å; S208-A210 VanDerWaalsContact C-N 3.28Å; S208-A210 PolarHBondContact O-N 2.91Å |
| 211 | S | 78.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 38.5 Ų | 38.5 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -90.8 | -36.2 | -171.1 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | E207 S208 K214 | E207-S211 WeakPolarHBondContact O-CB 3.43Å; E207-S211 PolarHBondContact O-N 3.32Å; E207-S211 PolarHBondContact O-OG 3.17Å; S208-S211 PolarHBondContact O-N 3.34Å; S211-K214 VanDerWaalsContact O-CE 3.24Å; S211-K214 WeakPolarHBondContact O-CE 3.38Å; S211-K214 PolarHBondContact O-NZ 2.84Å |
| 212 | E | 81.2 | Confident | 85.6 | Confident | 111 Ų | 111 | 38.3 Ų | 38.3 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -37.3 | -170.7 | -57 | 178.2 | 142 | 0 | 0 | 112.9 | F203 S208 K214 | F203-E212 HydrophobicContact CD1-CB 4.18Å; F203-E212 WeakPolarHBondContact CD1-OE2 3.32Å; F203-E212 HydrophobicContact CE1-CB 3.7Å; F203-E212 HydrophobicContact CZ-CB 4.38Å; S208-E212 WeakPolarHBondContact CB-OE2 3.37Å; S208-E212 WeakPolarHBondContact O-CB 3.06Å; S208-E212 PolarHBondContact O-N 3.15Å; S208-E212 PolarHBondContact OG-OE2 2.97Å; E212-K214 PolarHBondContact O-N 2.66Å |
| 213 | L | 83.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -76.2 | 85.1 | -175.7 | -175 | 70.3 | 0 | 0 | 0 | 112.3 | V27 I153 L169 T200 F203 L209 L235 | V27-L213 HydrophobicContact CG1-CD2 3.71Å; V27-L213 HydrophobicContact CG1-CG 4.3Å; I153-L213 HydrophobicContact CD1-CD2 4.25Å; L169-L213 HydrophobicContact CD1-CD2 3.81Å; L169-L213 HydrophobicContact CD2-CD2 4.42Å; T200-L213 HydrophobicContact CG2-CD1 3.81Å; F203-L213 HydrophobicContact CD2-CB 4.25Å; F203-L213 HydrophobicContact CD2-CD1 3.83Å; F203-L213 HydrophobicContact CE2-CB 4.26Å; F203-L213 HydrophobicContact CE2-CD1 3.57Å; F203-L213 HydrophobicContact CE2-CG 4.5Å; L209-L213 HydrophobicContact CD2-CD2 3.87Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L213-L235 HydrophobicContact CD1-CD2 3.72Å | ||
| 214 | K | 85.4 | Confident | 85.8 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | trans | -105.7 | 114.3 | 177.4 | -69.5 | 167.5 | -177 | 160.7 | 0 | 111 | I34 S211 E212 K236 | I34-K214 HydrophobicContact CD1-CD 4Å; I34-K214 HydrophobicContact CD1-CG 4.05Å; S211-K214 VanDerWaalsContact O-CE 3.24Å; S211-K214 WeakPolarHBondContact O-CE 3.38Å; S211-K214 PolarHBondContact O-NZ 2.84Å; E212-K214 PolarHBondContact O-N 2.66Å; K214-K236 PolarHBondContact O-N 2.78Å | ||
| 215 | G | 87.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V27 S31 C234 | V27-G215 PolarHBondContact N-O 3.01Å; S31-G215 VanDerWaalsContact CB-O 3.29Å; S31-G215 WeakPolarHBondContact CB-O 3.41Å; S31-G215 PolarHBondContact OG-N 3.24Å; S31-G215 PolarHBondContact OG-O 3.47Å; G215-C234 CarbonylContact C-O 3.45Å; G215-C234 WeakPolarHBondContact CA-O 3.39Å |
| 216 | Y | 90.9 | Very high | 85.8 | Confident | 39 Ų | 39 | 39 Ų | 39 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.7 | 178.7 | 61.5 | -97 | 0 | 0 | 0 | 111.2 | F24 I25 F35 I218 C234 T244 | F24-Y216 AromaticContact CD2-CD2 3.96Å; F24-Y216 HydrophobicContact CD2-CD2 3.96Å; F24-Y216 HydrophobicContact CD2-CE2 4.34Å; F24-Y216 HydrophobicContact CD2-CG 4.48Å; F24-Y216 HydrophobicContact CE1-CG 4.21Å; F24-Y216 HydrophobicContact CE2-CD1 4.05Å; F24-Y216 AromaticContact CE2-CD2 3.28Å; F24-Y216 HydrophobicContact CE2-CD2 3.28Å; F24-Y216 HydrophobicContact CE2-CE1 4.3Å; F24-Y216 AromaticContact CE2-CE2 3.59Å; F24-Y216 HydrophobicContact CE2-CE2 3.59Å; F24-Y216 AromaticContact CE2-CG 3.55Å; F24-Y216 HydrophobicContact CE2-CG 3.55Å; F24-Y216 AromaticContact CZ-CD1 3.72Å; F24-Y216 HydrophobicContact CZ-CD1 3.72Å; F24-Y216 AromaticContact CZ-CD2 3.68Å; F24-Y216 HydrophobicContact CZ-CD2 3.68Å; F24-Y216 HydrophobicContact CZ-CE1 4.29Å; F24-Y216 HydrophobicContact CZ-CE2 4.26Å; F24-Y216 AromaticContact CZ-CG 3.38Å; F24-Y216 HydrophobicContact CZ-CG 3.38Å; I25-Y216 CarbonylContact O-C 3.6Å; I25-Y216 VanDerWaalsContact O-CA 3.32Å; I25-Y216 WeakPolarHBondContact O-CA 3.13Å; F35-Y216 AromaticContact CD1-CD1 3.88Å; F35-Y216 HydrophobicContact CD1-CD1 3.88Å; F35-Y216 HydrophobicContact CD1-CE1 4.23Å; F35-Y216 HydrophobicContact CD2-CD1 4.21Å; F35-Y216 AromaticContact CE1-CD1 3.91Å; F35-Y216 HydrophobicContact CE1-CD1 3.91Å; F35-Y216 HydrophobicContact CE1-CE1 4.01Å; F35-Y216 HydrophobicContact CE2-CD1 4.24Å; F35-Y216 HydrophobicContact CG-CD1 4.03Å; F35-Y216 HydrophobicContact CZ-CD1 4.09Å; F35-Y216 HydrophobicContact CZ-CE1 4.4Å; Y216-I218 HydrophobicContact CD2-CD1 4.33Å; Y216-I218 HydrophobicContact CD2-CG1 3.99Å; Y216-I218 HydrophobicContact CE2-CD1 3.74Å; Y216-I218 HydrophobicContact CE2-CG1 3.92Å; Y216-C234 HydrophobicContact CD1-CB 4.39Å; Y216-C234 HydrophobicContact CD2-CB 3.92Å; Y216-C234 HydrophobicContact CE1-CB 4.03Å; Y216-C234 HydrophobicContact CE2-CB 3.51Å; Y216-C234 VanDerWaalsContact CE2-SG 3.55Å; Y216-C234 HydrophobicContact CG-CB 4.34Å; Y216-C234 PolarHBondContact N-O 2.87Å; Y216-C234 PolarHBondContact O-N 2.78Å; Y216-T244 HydrophobicContact CE1-CG2 4.4Å |
| 217 | I | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.6 | 177.5 | -66.6 | 158.2 | 0 | 0 | 0 | 108.2 | I25 V27 I167 C219 R232 I233 L249 C270 | I25-I217 HydrophobicContact CB-CB 4.32Å; I25-I217 PolarHBondContact N-O 2.75Å; I25-I217 PolarHBondContact O-N 3.32Å; V27-I217 HydrophobicContact CG2-CD1 3.47Å; V27-I217 VanDerWaalsContact CG2-CD1 3.47Å; V27-I217 HydrophobicContact CG2-CG1 3.62Å; I167-I217 HydrophobicContact CD1-CD1 3.78Å; I167-I217 HydrophobicContact CD1-CG1 4.36Å; I167-I217 HydrophobicContact CD1-CG2 3.75Å; I217-C219 HydrophobicContact CG2-CB 4.41Å; I217-R232 WeakPolarHBondContact CA-O 3.4Å; I217-I233 HydrophobicContact CD1-CD1 4.41Å; I217-I233 HydrophobicContact CG1-CB 4.1Å; I217-I233 HydrophobicContact CG1-CD1 4.11Å; I217-I233 HydrophobicContact CG1-CG1 3.84Å; I217-L249 HydrophobicContact CG2-CD1 4Å; I217-C270 HydrophobicContact CD1-CB 4.31Å |
| 218 | I | 92.4 | Very high | 85.8 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.2 | 167.4 | -63.5 | 175.7 | 0 | 0 | 0 | 107.6 | Q22 R23 F24 Y216 G231 R232 | Q22-I218 HydrophobicContact CB-CG2 4.31Å; Q22-I218 VanDerWaalsContact OE1-CG2 3.31Å; R23-I218 WeakPolarHBondContact O-CA 3.5Å; F24-I218 HydrophobicContact CD2-CD1 4.48Å; F24-I218 HydrophobicContact CD2-CG1 4.14Å; Y216-I218 HydrophobicContact CD2-CD1 4.33Å; Y216-I218 HydrophobicContact CD2-CG1 3.99Å; Y216-I218 HydrophobicContact CE2-CD1 3.74Å; Y216-I218 HydrophobicContact CE2-CG1 3.92Å; I218-G231 CarbonylContact O-C 3.54Å; I218-G231 WeakPolarHBondContact O-CA 3.48Å; I218-R232 HydrophobicContact CB-CG 4.11Å; I218-R232 PolarHBondContact N-O 3.45Å; I218-R232 PolarHBondContact O-N 2.88Å |
| 219 | C | 92.7 | Very high | 86.1 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 166 | 177.1 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | R23 I217 F229 | R23-C219 PolarHBondContact N-O 2.97Å; R23-C219 PolarHBondContact O-N 3.23Å; R23-C219 VanDerWaalsContact O-N 3.09Å; I217-C219 HydrophobicContact CG2-CB 4.41Å; C219-F229 HydrophobicContact CB-CE2 3.96Å; C219-F229 HydrophobicContact CB-CZ 3.83Å |
| 220 | Q | 91.9 | Very high | 86.5 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 166.9 | 171.8 | 62.5 | -175.7 | 57.6 | 0 | 0 | 112.9 | S230 Y273 | Q220-S230 PolarHBondContact N-O 2.96Å; Q220-S230 VanDerWaalsContact OE1-N 3.1Å; Q220-Y273 PolarHBondContact O-OH 3.49Å |
| 221 | Q | 90.3 | Very high | 86.9 | Confident | 39 Ų | 39 | 47 Ų | 47 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 154.9 | 162.6 | -73.3 | -62.1 | -10.9 | 0 | 0 | 110.3 | P20 R23 | P20-Q221 PolarHBondContact O-NE2 3.38Å; R23-Q221 VanDerWaalsContact CZ-OE1 3.3Å |
| 222 | P | 88.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 140.7 | -175.5 | 30.7 | -36.8 | 0 | 0 | 0 | 110.6 | R23 Y273 D277 L282 | R23-P222 VanDerWaalsContact NH2-CD 3.32Å; P222-Y273 HydrophobicContact CB-CD1 3.91Å; P222-Y273 HydrophobicContact CB-CD2 4.34Å; P222-Y273 HydrophobicContact CB-CE1 3.8Å; P222-Y273 HydrophobicContact CB-CE2 4.26Å; P222-Y273 HydrophobicContact CB-CG 4.18Å; P222-Y273 HydrophobicContact CG-CD1 4.3Å; P222-Y273 HydrophobicContact CG-CE1 4.28Å; P222-D277 WeakPolarHBondContact CB-O 3.45Å; P222-D277 HydrophobicContact CG-CB 4.29Å; P222-L282 HydrophobicContact CB-CD1 3.88Å; P222-L282 HydrophobicContact CG-CD1 4.32Å |
| 223 | V | 88.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 38% | 0.376 | 22% | 0.22 | S | C | . | . | trans | -121.4 | 149 | -177.8 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | D225 | V223-D225 HydrophobicContact CG1-CB 4.43Š| ||
| 224 | E | 80.1 | Confident | 88.3 | Confident | 123 Ų | 123 | 43.3 Ų | 43.3 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -62.3 | -42.7 | 179.1 | -75.5 | 166.3 | -157.3 | 0 | 0 | 112.3 | L226 L282 N283 | E224-L226 PolarHBondContact O-N 2.84Å; E224-L282 HydrophobicContact CG-CB 3.84Å; E224-N283 PolarHBondContact O-ND2 3.05Å |
| 225 | D | 79.6 | Confident | 88.4 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | trans | -58.7 | 125.7 | 179 | 167.1 | 36.3 | 0 | 0 | 0 | 112.5 | V223 Y227 T228 K279 | V223-D225 HydrophobicContact CG1-CB 4.43Å; D225-Y227 VanDerWaalsContact C-N 3.33Å; D225-Y227 PolarHBondContact O-N 2.8Å; D225-Y227 PolarHBondContact OD1-N 3.36Å; D225-T228 WeakPolarHBondContact OD2-CB 3.38Å; D225-T228 WeakPolarHBondContact OD2-CG2 3.32Å; D225-T228 PolarHBondContact OD2-N 3.28Å; D225-T228 PolarHBondContact OD2-OG1 2.97Å; D225-K279 WeakPolarHBondContact O-CD 3.25Å; D225-K279 WeakPolarHBondContact O-CE 3.4Å; D225-K279 PolarHBondContact O-NZ 3.44Å | ||
| 226 | L | 79.6 | Confident | 88.1 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65 | -34.3 | -179 | -60.2 | 179.5 | 0 | 0 | 0 | 112.4 | L185 E224 L256 K279 | L185-L226 HydrophobicContact CB-CD1 4.34Å; E224-L226 PolarHBondContact O-N 2.84Å; L226-L256 HydrophobicContact CB-CD1 4.32Å; L226-L256 HydrophobicContact CD2-CD1 4.32Å; L226-K279 VanDerWaalsContact C-NZ 3.27Å; L226-K279 HydrophobicContact CD2-CB 3.93Å; L226-K279 HydrophobicContact CD2-CD 4.37Å; L226-K279 PolarHBondContact O-NZ 3.11Å |
| 227 | Y | 81.3 | Confident | 87 | Confident | 123 Ų | 123 | 46.7 Ų | 46.7 | 48% | 0.482 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.4 | -16.5 | -167.6 | -58.1 | -68.1 | 0 | 0 | 0 | 114.9 | D186 D225 P251 | D186-Y227 WeakPolarHBondContact CB-OH 3.35Å; D186-Y227 PolarHBondContact OD2-OH 2.95Å; D186-Y227 VanDerWaalsContact OD2-OH 3.07Å; D225-Y227 VanDerWaalsContact C-N 3.33Å; D225-Y227 PolarHBondContact O-N 2.8Å; D225-Y227 PolarHBondContact OD1-N 3.36Å; Y227-P251 VanDerWaalsContact O-CB 3.25Å; Y227-P251 WeakPolarHBondContact O-CB 3.3Å; Y227-P251 WeakPolarHBondContact O-CG 3.43Å |
| 228 | T | 86.1 | Confident | 85.6 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | trans | -88.7 | 122.4 | 174.9 | 44.5 | 0 | 0 | 0 | 0 | 113 | D225 K279 | D225-T228 WeakPolarHBondContact OD2-CB 3.38Å; D225-T228 WeakPolarHBondContact OD2-CG2 3.32Å; D225-T228 PolarHBondContact OD2-N 3.28Å; D225-T228 PolarHBondContact OD2-OG1 2.97Å; T228-K279 PolarHBondContact O-NZ 3.23Å | ||
| 229 | F | 91.1 | Very high | 84 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | trans | -149.3 | 133.5 | 167 | -178.7 | -107 | 0 | 0 | 0 | 110.1 | I167 C219 L249 L254 Y273 | I167-F229 HydrophobicContact CD1-CE1 4.34Å; I167-F229 HydrophobicContact CD1-CZ 4.11Å; I167-F229 HydrophobicContact CG1-CE1 4.43Å; I167-F229 HydrophobicContact CG1-CZ 4.46Å; C219-F229 HydrophobicContact CB-CE2 3.96Å; C219-F229 HydrophobicContact CB-CZ 3.83Å; F229-L249 HydrophobicContact CE1-CB 3.93Å; F229-L254 HydrophobicContact CB-CD2 4.04Å; F229-L254 HydrophobicContact CD1-CB 4.15Å; F229-L254 HydrophobicContact CD1-CD2 4.45Å; F229-L254 HydrophobicContact CD2-CD2 3.77Å; F229-L254 HydrophobicContact CE2-CD1 4.29Å; F229-L254 HydrophobicContact CE2-CD2 4.33Å; F229-L254 HydrophobicContact CG-CB 4.33Å; F229-L254 HydrophobicContact CG-CD2 3.83Å; F229-L254 HydrophobicContact CZ-CD1 4.31Å; F229-Y273 HydrophobicContact CD2-CE2 4.37Å; F229-Y273 HydrophobicContact CE2-CE2 4.09Å | ||
| 230 | S | 92.5 | Very high | 82.3 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 53% | 0.531 | 32% | 0.324 | S | S | . | . | trans | -134.1 | 131.6 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | Q220 | Q220-S230 PolarHBondContact N-O 2.96Å; Q220-S230 VanDerWaalsContact OE1-N 3.1Å | ||
| 231 | G | 91.3 | Very high | 80.9 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -175.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I218 L249 | I218-G231 CarbonylContact O-C 3.54Å; I218-G231 WeakPolarHBondContact O-CA 3.48Å; G231-L249 PolarHBondContact N-O 3.17Å; G231-L249 PolarHBondContact O-N 3.41Å |
| 232 | R | 92.4 | Very high | 79.5 | Confident | 105 Ų | 105 | 68.1 Ų | 68.1 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.2 | 171.6 | 55.9 | 173.7 | 171.7 | 175.5 | -2.7 | 110.6 | I217 I218 D246 Y247 | I217-R232 WeakPolarHBondContact CA-O 3.4Å; I218-R232 HydrophobicContact CB-CG 4.11Å; I218-R232 PolarHBondContact N-O 3.45Å; I218-R232 PolarHBondContact O-N 2.88Å; R232-D246 VanDerWaalsContact CD-OD2 3.27Å; R232-D246 WeakPolarHBondContact CD-OD2 3.47Å; R232-D246 IonicContact CZ-OD2 3.39Å; R232-D246 IonicContact NE-OD2 2.72Å; R232-D246 IonicContact NH1-OD2 3.09Å; R232-D246 PolarHBondContact NH1-OD2 3.45Å; R232-Y247 CarbonylContact C-O 3.54Å; R232-Y247 VanDerWaalsContact CA-O 3.24Å; R232-Y247 WeakPolarHBondContact CA-O 3.17Å |
| 233 | I | 91.3 | Very high | 78.5 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.6 | 169.2 | -173 | 168.9 | 0 | 0 | 0 | 109 | L169 T200 I217 L235 D246 Y247 L249 | L169-I233 HydrophobicContact CD2-CD1 4.15Å; T200-I233 HydrophobicContact CG2-CD1 4.35Å; I217-I233 HydrophobicContact CD1-CD1 4.41Å; I217-I233 HydrophobicContact CG1-CB 4.1Å; I217-I233 HydrophobicContact CG1-CD1 4.11Å; I217-I233 HydrophobicContact CG1-CG1 3.84Å; I233-L235 HydrophobicContact CD1-CD2 3.88Å; I233-L235 HydrophobicContact CD1-CG 4.45Å; I233-L235 HydrophobicContact CG1-CD2 3.8Å; I233-L235 HydrophobicContact CG1-CG 4.11Å; I233-D246 WeakPolarHBondContact O-CA 3.42Å; I233-Y247 HydrophobicContact CG2-CD2 4.39Å; I233-Y247 PolarHBondContact N-O 3.47Å; I233-Y247 PolarHBondContact O-N 3Å; I233-L249 HydrophobicContact CB-CD1 4.15Å; I233-L249 HydrophobicContact CB-CD2 4.45Å; I233-L249 HydrophobicContact CB-CG 4.45Å; I233-L249 HydrophobicContact CG2-CD2 4.08Å; I233-L249 HydrophobicContact CG2-CG 4.37Å |
| 234 | C | 89.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 108.9 | -175.3 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | G215 Y216 K245 D246 | G215-C234 CarbonylContact C-O 3.45Å; G215-C234 WeakPolarHBondContact CA-O 3.39Å; Y216-C234 HydrophobicContact CD1-CB 4.39Å; Y216-C234 HydrophobicContact CD2-CB 3.92Å; Y216-C234 HydrophobicContact CE1-CB 4.03Å; Y216-C234 HydrophobicContact CE2-CB 3.51Å; Y216-C234 VanDerWaalsContact CE2-SG 3.55Å; Y216-C234 HydrophobicContact CG-CB 4.34Å; Y216-C234 PolarHBondContact N-O 2.87Å; Y216-C234 PolarHBondContact O-N 2.78Å; C234-K245 WeakPolarHBondContact CA-O 3.35Å; C234-D246 PolarHBondContact SG-OD1 3.05Å |
| 235 | L | 86.3 | Confident | 77.9 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.2 | -173.4 | -60.2 | 177.6 | 0 | 0 | 0 | 111.6 | T200 L213 I233 T244 K245 Y247 | T200-L235 HydrophobicContact CG2-CD1 3.65Å; L213-L235 HydrophobicContact CD1-CD2 3.72Å; I233-L235 HydrophobicContact CD1-CD2 3.88Å; I233-L235 HydrophobicContact CD1-CG 4.45Å; I233-L235 HydrophobicContact CG1-CD2 3.8Å; I233-L235 HydrophobicContact CG1-CG 4.11Å; L235-T244 CarbonylContact O-C 3.32Å; L235-T244 VanDerWaalsContact O-CA 3.29Å; L235-T244 WeakPolarHBondContact O-CA 3.48Å; L235-K245 PolarHBondContact N-O 2.85Å; L235-K245 PolarHBondContact O-N 2.93Å; L235-Y247 HydrophobicContact CD1-CD2 4.14Å; L235-Y247 HydrophobicContact CD1-CE2 3.98Å; L235-Y247 HydrophobicContact CG-CE2 4.5Å |
| 236 | K | 80.8 | Confident | 78.1 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.5 | 165.2 | -72 | -167.4 | 167.2 | -145.7 | 0 | 110.4 | F35 K214 D241 T244 | F35-K236 HydrophobicContact CZ-CD 4.46Å; K214-K236 PolarHBondContact O-N 2.78Å; K236-D241 WeakPolarHBondContact CE-O 3.15Å; K236-D241 PolarHBondContact NZ-O 2.82Å; K236-T244 HydrophobicContact CG-CG2 3.95Å |
| 237 | N | 68.4 | Low | 78.6 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -88.5 | -25.2 | 176.4 | -42.1 | -72.1 | 0 | 0 | 0 | 113 | D241 | N237-D241 WeakPolarHBondContact CB-OD2 3.41Å; N237-D241 PolarHBondContact ND2-OD2 2.85Å |
| 238 | S | 63.3 | Low | 79.1 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -147.4 | 165.8 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | E240 | S238-E240 VanDerWaalsContact C-N 3.28Š|
| 239 | I | 57.9 | Low | 79.4 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 68% | 0.682 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -65.3 | -35.4 | 175.9 | -62.3 | 174.6 | 0 | 0 | 0 | 110.8 | ||
| 240 | E | 58.7 | Low | 79.3 | Confident | 178 Ų | 178 | 66 Ų | 66 | 83% | 0.832 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -85.3 | -16.2 | -177.1 | -61 | -179.9 | 166.1 | 0 | 0 | 113.3 | S238 T242 | S238-E240 VanDerWaalsContact C-N 3.28Å; E240-T242 PolarHBondContact O-N 2.86Å |
| 241 | D | 61.1 | Low | 79.2 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | trans | -70.2 | 120.3 | 177.6 | -93.1 | -11.1 | 0 | 0 | 0 | 110.9 | K236 N237 | K236-D241 WeakPolarHBondContact CE-O 3.15Å; K236-D241 PolarHBondContact NZ-O 2.82Å; N237-D241 WeakPolarHBondContact CB-OD2 3.41Å; N237-D241 PolarHBondContact ND2-OD2 2.85Å | ||
| 242 | T | 61.6 | Low | 79.2 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 82% | 0.816 | 38% | 0.38 | S | S | * | . | trans | -78.5 | -27.1 | 166.8 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | E240 | E240-T242 PolarHBondContact O-N 2.86Š| ||
| 243 | A | 68 | Low | 79.2 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 120.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 244 | T | 73.1 | Confident | 79.3 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 140.6 | 166.9 | 49.8 | 0 | 0 | 0 | 0 | 111 | Y216 L235 K236 | Y216-T244 HydrophobicContact CE1-CG2 4.4Å; L235-T244 CarbonylContact O-C 3.32Å; L235-T244 VanDerWaalsContact O-CA 3.29Å; L235-T244 WeakPolarHBondContact O-CA 3.48Å; K236-T244 HydrophobicContact CG-CG2 3.95Å |
| 245 | K | 82.1 | Confident | 79.6 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.2 | 167.3 | -73.8 | 179.5 | -177.8 | 160.7 | 0 | 110.1 | C234 L235 Y247 | C234-K245 WeakPolarHBondContact CA-O 3.35Å; L235-K245 PolarHBondContact N-O 2.85Å; L235-K245 PolarHBondContact O-N 2.93Å; K245-Y247 HydrophobicContact CB-CE2 3.95Å |
| 246 | D | 84.8 | Confident | 79.9 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.1 | 179.1 | -74.1 | 12.4 | 0 | 0 | 0 | 110.5 | R232 I233 C234 | R232-D246 VanDerWaalsContact CD-OD2 3.27Å; R232-D246 WeakPolarHBondContact CD-OD2 3.47Å; R232-D246 IonicContact CZ-OD2 3.39Å; R232-D246 IonicContact NE-OD2 2.72Å; R232-D246 IonicContact NH1-OD2 3.09Å; R232-D246 PolarHBondContact NH1-OD2 3.45Å; I233-D246 WeakPolarHBondContact O-CA 3.42Å; C234-D246 PolarHBondContact SG-OD1 3.05Å |
| 247 | Y | 88.9 | Confident | 80.2 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.5 | 169.6 | -56.3 | -88.8 | 0 | 0 | 0 | 109.7 | H199 R232 I233 L235 K245 | H199-Y247 AromaticContact ND1-CE1 3.75Å; H199-Y247 AromaticContact ND1-CZ 3.87Å; R232-Y247 CarbonylContact C-O 3.54Å; R232-Y247 VanDerWaalsContact CA-O 3.24Å; R232-Y247 WeakPolarHBondContact CA-O 3.17Å; I233-Y247 HydrophobicContact CG2-CD2 4.39Å; I233-Y247 PolarHBondContact N-O 3.47Å; I233-Y247 PolarHBondContact O-N 3Å; L235-Y247 HydrophobicContact CD1-CD2 4.14Å; L235-Y247 HydrophobicContact CD1-CE2 3.98Å; L235-Y247 HydrophobicContact CG-CE2 4.5Å; K245-Y247 HydrophobicContact CB-CE2 3.95Å |
| 248 | P | 91.6 | Very high | 80.8 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 71% | 0.708 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 147 | 179.7 | 29.9 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 249 | L | 92 | Very high | 81.9 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.4 | 176.2 | -60.1 | 168.5 | 0 | 0 | 0 | 109.7 | I167 A197 I217 F229 G231 I233 N253 | I167-L249 HydrophobicContact CD1-CD1 3.53Å; I167-L249 HydrophobicContact CG1-CD1 4.38Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å; A197-L249 HydrophobicContact CB-CD2 3.39Å; I217-L249 HydrophobicContact CG2-CD1 4Å; F229-L249 HydrophobicContact CE1-CB 3.93Å; G231-L249 PolarHBondContact N-O 3.17Å; G231-L249 PolarHBondContact O-N 3.41Å; I233-L249 HydrophobicContact CB-CD1 4.15Å; I233-L249 HydrophobicContact CB-CD2 4.45Å; I233-L249 HydrophobicContact CB-CG 4.45Å; I233-L249 HydrophobicContact CG2-CD2 4.08Å; I233-L249 HydrophobicContact CG2-CG 4.37Å; L249-N253 HydrophobicContact CD2-CB 4.21Å |
| 250 | G | 90.6 | Very high | 83.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | trans | -118.2 | -173.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K252 N253 | G250-K252 VanDerWaalsContact C-N 3.25Å; G250-K252 PolarHBondContact O-N 2.83Å; G250-N253 PolarHBondContact N-OD1 3Å; G250-N253 PolarHBondContact O-N 2.88Å; G250-N253 VanDerWaalsContact O-N 3.07Å; G250-N253 PolarHBondContact O-OD1 2.8Å | ||
| 251 | P | 90 | Very high | 84.7 | Confident | 63 Ų | 63 | 44.8 Ų | 44.8 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.7 | -30.6 | -178.4 | 23.7 | -33.6 | 0 | 0 | 0 | 113.5 | F194 Y227 N253 L254 | F194-P251 WeakPolarHBondContact CE1-O 3.46Å; Y227-P251 VanDerWaalsContact O-CB 3.25Å; Y227-P251 WeakPolarHBondContact O-CB 3.3Å; Y227-P251 WeakPolarHBondContact O-CG 3.43Å; P251-N253 PolarHBondContact O-N 2.84Å; P251-L254 PolarHBondContact O-N 3.01Å; P251-L254 VanDerWaalsContact O-N 3.15Å |
| 252 | K | 90.9 | Very high | 85.7 | Confident | 121 Ų | 121 | 44.6 Ų | 44.6 | 53% | 0.526 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -61.4 | -11.2 | 174.2 | -73.7 | -168.2 | 172.5 | -167.7 | 0 | 115.1 | F194 E195 G250 | F194-K252 WeakPolarHBondContact CA-O 3.32Å; F194-K252 WeakPolarHBondContact CB-O 3.13Å; F194-K252 VanDerWaalsContact CD1-O 3.28Å; F194-K252 WeakPolarHBondContact CD1-O 3.44Å; E195-K252 PolarHBondContact N-O 3.34Å; E195-K252 IonicContact OE2-NZ 3.25Å; G250-K252 VanDerWaalsContact C-N 3.25Å; G250-K252 PolarHBondContact O-N 2.83Å |
| 253 | N | 92.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -108.1 | -7.1 | -179.6 | -42.8 | 112.7 | 0 | 0 | 0 | 112.6 | I167 L168 E195 A197 L249 G250 P251 | I167-N253 WeakPolarHBondContact CA-O 3.48Å; L168-N253 PolarHBondContact N-O 2.81Å; E195-N253 PolarHBondContact O-ND2 3.2Å; A197-N253 HydrophobicContact CB-CB 4.36Å; L249-N253 HydrophobicContact CD2-CB 4.21Å; G250-N253 PolarHBondContact N-OD1 3Å; G250-N253 PolarHBondContact O-N 2.88Å; G250-N253 VanDerWaalsContact O-N 3.07Å; G250-N253 PolarHBondContact O-OD1 2.8Å; P251-N253 PolarHBondContact O-N 2.84Å |
| 254 | L | 94 | Very high | 87.1 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.9 | -175.4 | -177 | 74.7 | 0 | 0 | 0 | 111.1 | D165 I167 F194 F229 P251 L256 | D165-L254 HydrophobicContact CB-CD1 4.37Å; I167-L254 HydrophobicContact CG1-CD1 4.35Å; F194-L254 VanDerWaalsContact CE1-O 3.22Å; F194-L254 WeakPolarHBondContact CE1-O 3.48Å; F229-L254 HydrophobicContact CB-CD2 4.04Å; F229-L254 HydrophobicContact CD1-CB 4.15Å; F229-L254 HydrophobicContact CD1-CD2 4.45Å; F229-L254 HydrophobicContact CD2-CD2 3.77Å; F229-L254 HydrophobicContact CE2-CD1 4.29Å; F229-L254 HydrophobicContact CE2-CD2 4.33Å; F229-L254 HydrophobicContact CG-CB 4.33Å; F229-L254 HydrophobicContact CG-CD2 3.83Å; F229-L254 HydrophobicContact CZ-CD1 4.31Å; P251-L254 PolarHBondContact O-N 3.01Å; P251-L254 VanDerWaalsContact O-N 3.15Å; L254-L256 HydrophobicContact CD2-CD2 3.68Å; L254-L256 HydrophobicContact CG-CD2 4.06Å |
| 255 | L | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.3 | 171.7 | -52.4 | 173.3 | 0 | 0 | 0 | 109 | F162 D165 M166 L168 V180 F194 V267 | F162-L255 HydrophobicContact CD1-CB 4.42Å; F162-L255 HydrophobicContact CD1-CD1 4.37Å; F162-L255 HydrophobicContact CD2-CB 4.06Å; F162-L255 HydrophobicContact CE1-CB 4.42Å; F162-L255 HydrophobicContact CE1-CD1 3.77Å; F162-L255 HydrophobicContact CE2-CB 4.05Å; F162-L255 HydrophobicContact CE2-CD1 4.46Å; F162-L255 HydrophobicContact CE2-CD2 4.26Å; F162-L255 HydrophobicContact CE2-CG 4.49Å; F162-L255 HydrophobicContact CG-CB 4.27Å; F162-L255 HydrophobicContact CZ-CB 4.24Å; F162-L255 HydrophobicContact CZ-CD1 3.83Å; F162-L255 HydrophobicContact CZ-CD2 4.18Å; F162-L255 HydrophobicContact CZ-CG 4.31Å; D165-L255 CarbonylContact C-O 3.55Å; D165-L255 WeakPolarHBondContact CA-O 3.46Å; M166-L255 HydrophobicContact CG-CB 3.8Å; M166-L255 HydrophobicContact CG-CD1 4.09Å; M166-L255 HydrophobicContact CG-CG 4.42Å; M166-L255 PolarHBondContact N-O 3.32Å; M166-L255 PolarHBondContact O-N 3.49Å; M166-L255 HydrophobicContact SD-CD1 4.26Å; L168-L255 HydrophobicContact CB-CD1 4.12Å; L168-L255 HydrophobicContact CB-CG 4.24Å; L168-L255 HydrophobicContact CD1-CD1 4.22Å; V180-L255 HydrophobicContact CG2-CD2 3.92Å; F194-L255 HydrophobicContact CB-CD2 4.12Å; F194-L255 HydrophobicContact CD1-CD2 4.03Å; F194-L255 HydrophobicContact CD2-CD2 4.45Å; F194-L255 HydrophobicContact CG-CD2 3.95Å; L255-V267 HydrophobicContact CD1-CG2 4.15Å |
| 256 | L | 92.2 | Very high | 87.8 | Confident | 19 Ų | 19 | 31.4 Ų | 31.4 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -94 | 141.3 | -173.8 | -62.2 | 177.7 | 0 | 0 | 0 | 112.1 | L185 L226 L254 G258 A259 K279 | L185-L256 HydrophobicContact CD1-CB 3.5Å; L185-L256 VanDerWaalsContact CD1-CB 3.5Å; L185-L256 HydrophobicContact CD1-CD1 3.91Å; L185-L256 HydrophobicContact CD1-CG 4.37Å; L226-L256 HydrophobicContact CB-CD1 4.32Å; L226-L256 HydrophobicContact CD2-CD1 4.32Å; L254-L256 HydrophobicContact CD2-CD2 3.68Å; L254-L256 HydrophobicContact CG-CD2 4.06Å; L256-G258 PolarHBondContact O-N 3.14Å; L256-A259 WeakPolarHBondContact O-CB 3.38Å; L256-A259 PolarHBondContact O-N 3.05Å; L256-K279 HydrophobicContact CD2-CD 3.86Å; L256-K279 HydrophobicContact CD2-CG 4.24Å |
| 257 | R | 88 | Confident | 88.2 | Confident | 33 Ų | 33 | 28 Ų | 28 | 13% | 0.125 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 130.8 | 175.6 | 178 | 175.5 | 164.1 | -151 | -7.9 | 111.3 | F162 P163 D165 A259 G275 T278 L280 | F162-R257 WeakPolarHBondContact O-CA 3.21Å; P163-R257 WeakPolarHBondContact O-CD 3.49Å; D165-R257 VanDerWaalsContact OD1-CB 3.23Å; D165-R257 WeakPolarHBondContact OD1-CB 3.36Å; D165-R257 PolarHBondContact OD1-N 3.12Å; R257-A259 VanDerWaalsContact C-N 3.31Å; R257-G275 PolarHBondContact NH1-O 3.37Å; R257-T278 HydrophobicContact CB-CG2 4.17Å; R257-T278 PolarHBondContact NH1-OG1 2.77Å; R257-T278 VanDerWaalsContact NH1-OG1 3.11Å; R257-L280 HydrophobicContact CG-CD2 4.09Å |
| 258 | G | 80.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -17.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F162 S184 L256 | F162-G258 PolarHBondContact O-N 3.47Å; S184-G258 WeakPolarHBondContact CB-O 3.49Å; S184-G258 PolarHBondContact OG-O 2.86Å; L256-G258 PolarHBondContact O-N 3.14Å |
| 259 | A | 87 | Confident | 88.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -67.3 | 155.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S161 F162 V180 T181 T182 L185 L256 R257 | S161-A259 CarbonylContact C-O 3.56Å; S161-A259 WeakPolarHBondContact CA-O 3.37Å; F162-A259 HydrophobicContact CD2-CB 4.1Å; F162-A259 WeakPolarHBondContact CD2-O 3.23Å; F162-A259 HydrophobicContact CE2-CB 4.49Å; F162-A259 PolarHBondContact N-O 3.23Å; V180-A259 HydrophobicContact CG1-CB 3.64Å; T181-A259 WeakPolarHBondContact O-CB 3.21Å; T182-A259 HydrophobicContact CG2-CB 4.26Å; L185-A259 HydrophobicContact CD1-CB 3.96Å; L256-A259 WeakPolarHBondContact O-CB 3.38Å; L256-A259 PolarHBondContact O-N 3.05Å; R257-A259 VanDerWaalsContact C-N 3.31Å | ||
| 260 | C | 86.6 | Confident | 88.5 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.5 | -173.1 | -61 | 0 | 0 | 0 | 0 | 111.9 | S160 V180 T181 | S160-C260 WeakPolarHBondContact O-CA 3.4Å; V180-C260 WeakPolarHBondContact CA-O 3.38Å; T181-C260 HydrophobicContact CG2-CB 3.71Å; T181-C260 PolarHBondContact N-O 2.75Å; T181-C260 PolarHBondContact O-N 3.25Å; T181-C260 VanDerWaalsContact O-N 3.09Å |
| 261 | L | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.2 | 174 | -167.5 | 71.7 | 0 | 0 | 0 | 110.1 | N158 N159 S160 F162 C178 V180 T264 V267 | N158-L261 PolarHBondContact OD1-O 3.18Å; N159-L261 VanDerWaalsContact CA-O 3.29Å; N159-L261 WeakPolarHBondContact CA-O 2.96Å; N159-L261 PolarHBondContact N-O 3.46Å; S160-L261 PolarHBondContact O-N 2.93Å; F162-L261 HydrophobicContact CZ-CB 4.08Å; F162-L261 HydrophobicContact CZ-CD1 4.13Å; C178-L261 HydrophobicContact CB-CD1 4.07Å; V180-L261 HydrophobicContact CG2-CD1 4.47Å; L261-T264 HydrophobicContact CD1-CG2 4.26Å; L261-T264 HydrophobicContact CD2-CG2 4.39Å; L261-T264 WeakPolarHBondContact CD2-O 2.96Å; L261-V267 HydrophobicContact CD1-CG1 3.77Å; L261-V267 HydrophobicContact CD1-CG2 4.19Å; L261-V267 HydrophobicContact CD2-CG1 4.17Å; L261-V267 HydrophobicContact CD2-CG2 4.15Å |
| 262 | R | 82.3 | Confident | 88.9 | Confident | 57 Ų | 57 | 16.6 Ų | 16.6 | 22% | 0.215 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 158.5 | 176.6 | -63.9 | -66.6 | -165.2 | -141.9 | -4.3 | 109.2 | N158 N159 F179 T181 L191 T264 | N158-R262 WeakPolarHBondContact OD1-CA 3.49Å; N159-R262 WeakPolarHBondContact OD1-CD 3.48Å; N159-R262 PolarHBondContact OD1-NH1 3.4Å; F179-R262 CarbonylContact C-O 3.51Å; F179-R262 WeakPolarHBondContact CB-O 3.18Å; F179-R262 PolarHBondContact O-N 2.91Å; T181-R262 HydrophobicContact CG2-CG 3.8Å; L191-R262 HydrophobicContact CD1-CB 4.23Å; L191-R262 HydrophobicContact CD2-CB 3.72Å; L191-R262 HydrophobicContact CD2-CG 3.86Å; R262-T264 PolarHBondContact O-N 2.85Å; R262-T264 PolarHBondContact O-OG1 3.41Å |
| 263 | N | 77.9 | Confident | 89 | Confident | 48 Ų | 48 | 10.9 Ų | 10.9 | 26% | 0.257 | 6% | 0.055 | S | C | . | . | S | Bend | trans | 45.4 | 32.6 | 175.9 | -55.5 | 7.5 | 0 | 0 | 0 | 113.9 | F179 L191 | F179-N263 HydrophobicContact CB-CB 4.27Å; F179-N263 HydrophobicContact CD2-CB 4.22Å; F179-N263 HydrophobicContact CG-CB 4.47Å; L191-N263 HydrophobicContact CD1-CB 4.43Å; L191-N263 WeakPolarHBondContact CD1-ND2 3.23Å |
| 264 | T | 82.2 | Confident | 89 | Confident | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -156.6 | 125.2 | -178.6 | -57.4 | 0 | 0 | 0 | 0 | 106.5 | N158 S172 C178 F179 L261 R262 V267 | N158-T264 WeakPolarHBondContact CB-O 3.4Å; N158-T264 VanDerWaalsContact CG-O 3.3Å; N158-T264 PolarHBondContact OD1-O 3.43Å; S172-T264 WeakPolarHBondContact OG-CG2 3.47Å; C178-T264 WeakPolarHBondContact CA-OG1 3.43Å; C178-T264 HydrophobicContact CB-CG2 3.79Å; F179-T264 PolarHBondContact N-OG1 2.92Å; F179-T264 VanDerWaalsContact N-OG1 3.16Å; L261-T264 HydrophobicContact CD1-CG2 4.26Å; L261-T264 HydrophobicContact CD2-CG2 4.39Å; L261-T264 WeakPolarHBondContact CD2-O 2.96Å; R262-T264 PolarHBondContact O-N 2.85Å; R262-T264 PolarHBondContact O-OG1 3.41Å; T264-V267 HydrophobicContact CG2-CG1 4.02Å |
| 265 | D | 81.8 | Confident | 88.7 | Confident | 20 Ų | 20 | 9.9 Ų | 9.9 | 11% | 0.107 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -69.5 | -39.4 | -169.8 | -74.2 | -25.7 | 0 | 0 | 0 | 112.1 | R157 N158 S172 S536 S537 R540 | R157-D265 CarbonylContact C-O 3.6Å; N158-D265 PolarHBondContact N-O 2.95Å; S172-D265 PolarHBondContact OG-N 2.94Å; S172-D265 VanDerWaalsContact OG-N 3.1Å; D265-S536 VanDerWaalsContact OD2-CB 3.25Å; D265-S536 WeakPolarHBondContact OD2-CB 3.45Å; D265-S536 PolarHBondContact OD2-OG 2.79Å; D265-S537 WeakPolarHBondContact OD2-CA 3.44Å; D265-S537 WeakPolarHBondContact OD2-CB 3.44Å; D265-S537 PolarHBondContact OD2-N 2.69Å; D265-R540 IonicContact OD1-CZ 3.12Å; D265-R540 IonicContact OD1-NH1 2.68Å; D265-R540 PolarHBondContact OD1-NH1 2.94Å; D265-R540 VanDerWaalsContact OD1-NH1 3.09Å; D265-R540 IonicContact OD1-NH2 2.84Å; D265-R540 PolarHBondContact OD1-NH2 3.17Å; D265-R540 IonicContact OD2-NH1 2.69Å; D265-R540 IonicContact OD2-NH2 2.84Å |
| 266 | Y | 88.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.9 | 175.5 | 67 | -85.4 | 0 | 0 | 0 | 112.7 | L155 C156 S172 Y268 P532 R533 R534 | L155-Y266 HydrophobicContact CD1-CD2 3.9Å; L155-Y266 HydrophobicContact CD1-CG 4.25Å; C156-Y266 CarbonylContact O-C 3.55Å; C156-Y266 VanDerWaalsContact O-CA 3.23Å; C156-Y266 WeakPolarHBondContact O-CA 3.44Å; S172-Y266 PolarHBondContact N-O 3.18Å; Y266-Y268 HydrophobicContact CD2-CD2 4.27Å; Y266-Y268 AromaticContact CD2-CE2 3.99Å; Y266-Y268 HydrophobicContact CD2-CE2 3.99Å; Y266-Y268 HydrophobicContact CE2-CD2 4.13Å; Y266-Y268 AromaticContact CE2-CE2 3.68Å; Y266-Y268 HydrophobicContact CE2-CE2 3.68Å; Y266-P532 HydrophobicContact CD1-CB 3.62Å; Y266-P532 HydrophobicContact CD1-CG 3.77Å; Y266-P532 HydrophobicContact CD2-CG 4Å; Y266-P532 HydrophobicContact CE1-CB 3.69Å; Y266-P532 HydrophobicContact CE1-CG 4.06Å; Y266-P532 HydrophobicContact CE2-CG 4.27Å; Y266-P532 HydrophobicContact CG-CB 4.14Å; Y266-P532 HydrophobicContact CG-CG 3.74Å; Y266-P532 PolarHBondContact OH-O 3.42Å; Y266-R533 VanDerWaalsContact OH-C 3.28Å; Y266-R534 PolarHBondContact OH-N 2.88Å; Y266-R534 VanDerWaalsContact OH-N 3.14Å |
| 267 | V | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149 | 170.1 | -62.4 | 0 | 0 | 0 | 0 | 111 | C156 F162 L168 S170 C178 L255 L261 T264 | C156-V267 HydrophobicContact CB-CG2 3.99Å; C156-V267 PolarHBondContact N-O 3.19Å; C156-V267 PolarHBondContact O-N 3.26Å; F162-V267 HydrophobicContact CE1-CG2 3.88Å; F162-V267 HydrophobicContact CZ-CG2 4.37Å; L168-V267 HydrophobicContact CD1-CB 3.76Å; L168-V267 HydrophobicContact CD1-CG1 3.87Å; S170-V267 WeakPolarHBondContact O-CA 3.45Å; C178-V267 HydrophobicContact CB-CG1 3.7Å; L255-V267 HydrophobicContact CD1-CG2 4.15Å; L261-V267 HydrophobicContact CD1-CG1 3.77Å; L261-V267 HydrophobicContact CD1-CG2 4.19Å; L261-V267 HydrophobicContact CD2-CG1 4.17Å; L261-V267 HydrophobicContact CD2-CG2 4.15Å; T264-V267 HydrophobicContact CG2-CG1 4.02Å |
| 268 | Y | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.5 | 166.8 | -70.5 | -78.2 | 0 | 0 | 0 | 109.9 | V134 L140 I153 I154 L155 L169 S170 D204 L209 Y266 | V134-Y268 HydrophobicContact CG2-CD1 4.24Å; V134-Y268 HydrophobicContact CG2-CE1 4.03Å; L140-Y268 HydrophobicContact CD2-CE1 4.44Å; I153-Y268 HydrophobicContact CG2-CD1 4.32Å; I154-Y268 WeakPolarHBondContact O-CA 3.39Å; L155-Y268 HydrophobicContact CB-CD1 4.11Å; L155-Y268 HydrophobicContact CB-CE1 3.86Å; L155-Y268 HydrophobicContact CD1-CD1 4.1Å; L155-Y268 HydrophobicContact CD1-CE1 3.77Å; L155-Y268 HydrophobicContact CD1-CE2 4.35Å; L155-Y268 HydrophobicContact CD2-CE1 4.27Å; L155-Y268 HydrophobicContact CG-CE1 4.18Å; L169-Y268 PolarHBondContact N-O 3Å; S170-Y268 PolarHBondContact N-O 3.24Å; S170-Y268 PolarHBondContact O-N 3.42Å; D204-Y268 WeakPolarHBondContact O-CE2 3.49Å; L209-Y268 HydrophobicContact CD1-CD1 3.64Å; L209-Y268 HydrophobicContact CD1-CD2 3.62Å; L209-Y268 HydrophobicContact CD1-CE1 4.01Å; L209-Y268 HydrophobicContact CD1-CE2 3.99Å; L209-Y268 HydrophobicContact CD1-CG 3.42Å; L209-Y268 VanDerWaalsContact CD1-CG 3.42Å; Y266-Y268 HydrophobicContact CD2-CD2 4.27Å; Y266-Y268 AromaticContact CD2-CE2 3.99Å; Y266-Y268 HydrophobicContact CD2-CE2 3.99Å; Y266-Y268 HydrophobicContact CE2-CD2 4.13Å; Y266-Y268 AromaticContact CE2-CE2 3.68Å; Y266-Y268 HydrophobicContact CE2-CE2 3.68Å |
| 269 | G | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I153 I154 I167 | I153-G269 WeakPolarHBondContact CA-O 3.29Å; I154-G269 PolarHBondContact N-O 2.88Å; I154-G269 PolarHBondContact O-N 3.37Å; I167-G269 CarbonylContact O-C 3.41Å; I167-G269 WeakPolarHBondContact O-CA 3.46Å |
| 270 | C | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.4 | 176.7 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | V27 N152 M166 I167 L169 I217 V272 | V27-C270 HydrophobicContact CG1-CB 4.25Å; N152-C270 WeakPolarHBondContact O-CA 3.33Å; M166-C270 CarbonylContact C-O 3.6Å; M166-C270 WeakPolarHBondContact CA-O 3.38Å; M166-C270 VanDerWaalsContact CB-O 3.26Å; M166-C270 WeakPolarHBondContact CB-O 3.36Å; I167-C270 PolarHBondContact N-O 3.12Å; I167-C270 PolarHBondContact O-N 2.93Å; L169-C270 HydrophobicContact CD1-CB 4.04Å; L169-C270 HydrophobicContact CD2-CB 4.47Å; L169-C270 HydrophobicContact CG-CB 4.31Å; I217-C270 HydrophobicContact CD1-CB 4.31Å; C270-V272 PolarHBondContact O-N 2.98Å |
| 271 | A | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 120.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G151 N152 I154 T274 | G151-A271 PolarHBondContact N-O 2.86Å; N152-A271 PolarHBondContact O-N 2.57Å; I154-A271 HydrophobicContact CD1-CB 3.99Å; A271-T274 HydrophobicContact CB-CG2 4.46Å |
| 272 | V | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -53.2 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | I25 D165 I167 C270 | I25-V272 HydrophobicContact CD1-CB 4.33Å; I25-V272 HydrophobicContact CD1-CG1 3.76Å; D165-V272 PolarHBondContact O-N 3.01Å; I167-V272 HydrophobicContact CB-CG2 4.34Å; I167-V272 HydrophobicContact CD1-CG2 3.49Å; I167-V272 VanDerWaalsContact CD1-CG2 3.49Å; I167-V272 HydrophobicContact CG1-CG2 3.75Å; C270-V272 PolarHBondContact O-N 2.98Å |
| 273 | Y | 94 | Very high | 86.9 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.9 | 179 | -51.4 | -56.3 | 0 | 0 | 0 | 109.5 | C164 D165 Q220 P222 F229 D277 T278 | C164-Y273 WeakPolarHBondContact CB-O 3.28Å; D165-Y273 HydrophobicContact CB-CD2 3.89Å; D165-Y273 HydrophobicContact CB-CG 4.46Å; D165-Y273 PolarHBondContact N-O 3.31Å; D165-Y273 VanDerWaalsContact N-O 3.17Å; D165-Y273 PolarHBondContact O-N 2.97Å; Q220-Y273 PolarHBondContact O-OH 3.49Å; P222-Y273 HydrophobicContact CB-CD1 3.91Å; P222-Y273 HydrophobicContact CB-CD2 4.34Å; P222-Y273 HydrophobicContact CB-CE1 3.8Å; P222-Y273 HydrophobicContact CB-CE2 4.26Å; P222-Y273 HydrophobicContact CB-CG 4.18Å; P222-Y273 HydrophobicContact CG-CD1 4.3Å; P222-Y273 HydrophobicContact CG-CE1 4.28Å; F229-Y273 HydrophobicContact CD2-CE2 4.37Å; F229-Y273 HydrophobicContact CE2-CE2 4.09Å; Y273-D277 WeakPolarHBondContact CB-O 3.49Å; Y273-T278 WeakPolarHBondContact O-CG2 3.45Å |
| 274 | T | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -130.3 | 148.2 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | N49 V150 C164 A271 R276 D277 | N49-T274 HydrophobicContact CB-CG2 4.25Å; V150-T274 HydrophobicContact CG2-CG2 3.98Å; C164-T274 HydrophobicContact CB-CG2 4.18Å; A271-T274 HydrophobicContact CB-CG2 4.46Å; T274-R276 PolarHBondContact O-N 2.61Å; T274-D277 WeakPolarHBondContact O-CB 3.34Å; T274-D277 PolarHBondContact O-N 2.79Å | ||
| 275 | G | 87.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -104.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N49 R257 T278 A281 | N49-G275 PolarHBondContact OD1-N 3.11Å; R257-G275 PolarHBondContact NH1-O 3.37Å; G275-T278 PolarHBondContact O-OG1 2.91Å; G275-A281 VanDerWaalsContact O-CB 3.29Å; G275-A281 WeakPolarHBondContact O-CB 3.49Å |
| 276 | R | 85.9 | Confident | 84.2 | Confident | 164 Ų | 164 | 30 Ų | 30 | 62% | 0.619 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -14 | 177.9 | -65.3 | -175.4 | -178.9 | -175.4 | -3 | 113.3 | T52 T274 | T52-R276 PolarHBondContact OG1-NH2 2.74Å; T274-R276 PolarHBondContact O-N 2.61Å |
| 277 | D | 89.7 | Confident | 83 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -88.1 | -12.9 | -174.6 | -62.4 | 30.7 | 0 | 0 | 0 | 111.5 | R16 R23 P222 Y273 T274 | R16-D277 IonicContact CZ-OD1 3.56Å; R16-D277 IonicContact NH1-OD1 3.68Å; R16-D277 PolarHBondContact NH1-OD1 2.68Å; R16-D277 IonicContact NH1-OD2 3.34Å; R16-D277 IonicContact NH2-OD1 2.65Å; R16-D277 PolarHBondContact NH2-OD1 3.32Å; R16-D277 VanDerWaalsContact NH2-OD1 3.09Å; R23-D277 IonicContact CZ-OD2 3.93Å; R23-D277 VanDerWaalsContact CZ-OD2 3.25Å; R23-D277 IonicContact NH1-OD2 2.8Å; R23-D277 PolarHBondContact NH1-OD2 3.34Å; R23-D277 IonicContact NH2-OD2 2.95Å; R23-D277 PolarHBondContact NH2-OD2 3.13Å; P222-D277 WeakPolarHBondContact CB-O 3.45Å; P222-D277 HydrophobicContact CG-CB 4.29Å; Y273-D277 WeakPolarHBondContact CB-O 3.49Å; T274-D277 WeakPolarHBondContact O-CB 3.34Å; T274-D277 PolarHBondContact O-N 2.79Å |
| 278 | T | 88.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -68.3 | 143.5 | 177.2 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | C164 D165 R257 Y273 G275 L280 A281 L282 | C164-T278 HydrophobicContact CB-CG2 4.38Å; D165-T278 WeakPolarHBondContact OD2-CA 3.34Å; R257-T278 HydrophobicContact CB-CG2 4.17Å; R257-T278 PolarHBondContact NH1-OG1 2.77Å; R257-T278 VanDerWaalsContact NH1-OG1 3.11Å; Y273-T278 WeakPolarHBondContact O-CG2 3.45Å; G275-T278 PolarHBondContact O-OG1 2.91Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.43Å; T278-A281 WeakPolarHBondContact O-CA 3.47Å; T278-A281 WeakPolarHBondContact O-CB 3.35Å; T278-A281 PolarHBondContact O-N 2.95Å; T278-A281 VanDerWaalsContact OG1-CB 3.31Å; T278-A281 WeakPolarHBondContact OG1-CB 3.31Å; T278-L282 PolarHBondContact O-N 3.28Å; T278-L282 VanDerWaalsContact O-N 3.14Å |
| 279 | K | 85.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.2 | -38.6 | -178.6 | -59.6 | -160 | -178.5 | -168.7 | 0 | 113.5 | D165 D225 L226 T228 L256 A281 L282 N283 | D165-K279 PolarHBondContact OD2-N 3.09Å; D225-K279 WeakPolarHBondContact O-CD 3.25Å; D225-K279 WeakPolarHBondContact O-CE 3.4Å; D225-K279 PolarHBondContact O-NZ 3.44Å; L226-K279 VanDerWaalsContact C-NZ 3.27Å; L226-K279 HydrophobicContact CD2-CB 3.93Å; L226-K279 HydrophobicContact CD2-CD 4.37Å; L226-K279 PolarHBondContact O-NZ 3.11Å; T228-K279 PolarHBondContact O-NZ 3.23Å; L256-K279 HydrophobicContact CD2-CD 3.86Å; L256-K279 HydrophobicContact CD2-CG 4.24Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.34Å; K279-L282 PolarHBondContact O-N 3.29Å; K279-N283 PolarHBondContact O-N 3.25Å; K279-N283 PolarHBondContact O-ND2 3.02Å |
| 280 | L | 80.5 | Confident | 79.6 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | 173 | 176.6 | 70 | 0 | 0 | 0 | 112.1 | L185 R257 T278 N283 S284 Q921 | L185-L280 HydrophobicContact CD2-CB 4.24Å; L185-L280 HydrophobicContact CD2-CD1 3.56Å; L185-L280 HydrophobicContact CD2-CG 4.37Å; R257-L280 HydrophobicContact CG-CD2 4.09Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.43Å; L280-N283 PolarHBondContact O-N 2.86Å; L280-S284 WeakPolarHBondContact O-CB 3.44Å; L280-S284 PolarHBondContact O-N 3.45Å; L280-S284 PolarHBondContact O-OG 2.88Å; L280-Q921 VanDerWaalsContact CD1-OE1 3.27Å |
| 281 | A | 80.4 | Confident | 78.6 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.6 | -24.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G275 T278 K279 S284 | G275-A281 VanDerWaalsContact O-CB 3.29Å; G275-A281 WeakPolarHBondContact O-CB 3.49Å; T278-A281 WeakPolarHBondContact O-CA 3.47Å; T278-A281 WeakPolarHBondContact O-CB 3.35Å; T278-A281 PolarHBondContact O-N 2.95Å; T278-A281 VanDerWaalsContact OG1-CB 3.31Å; T278-A281 WeakPolarHBondContact OG1-CB 3.31Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.34Å; A281-S284 WeakPolarHBondContact CA-OG 3.43Å; A281-S284 PolarHBondContact O-OG 3.32Å |
| 282 | L | 79.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.7 | -42.6 | 171 | -64.3 | -179.7 | 0 | 0 | 0 | 111.2 | P222 E224 T278 K279 S284 | P222-L282 HydrophobicContact CB-CD1 3.88Å; P222-L282 HydrophobicContact CG-CD1 4.32Å; E224-L282 HydrophobicContact CG-CB 3.84Å; T278-L282 PolarHBondContact O-N 3.28Å; T278-L282 VanDerWaalsContact O-N 3.14Å; K279-L282 PolarHBondContact O-N 3.29Å; L282-S284 VanDerWaalsContact C-N 3.34Å |
| 283 | N | 70.6 | Confident | 77.1 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.4 | -25.8 | 175.4 | -72.6 | -71.8 | 0 | 0 | 0 | 113.5 | E224 K279 L280 K285 | E224-N283 PolarHBondContact O-ND2 3.05Å; K279-N283 PolarHBondContact O-N 3.25Å; K279-N283 PolarHBondContact O-ND2 3.02Å; L280-N283 PolarHBondContact O-N 2.86Å; N283-K285 VanDerWaalsContact C-N 3.34Å; N283-K285 PolarHBondContact O-N 3.05Å |
| 284 | S | 64.9 | Low | 76.5 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | trans | -71.6 | 87.3 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 111 | L280 A281 L282 G286 | L280-S284 WeakPolarHBondContact O-CB 3.44Å; L280-S284 PolarHBondContact O-N 3.45Å; L280-S284 PolarHBondContact O-OG 2.88Å; A281-S284 WeakPolarHBondContact CA-OG 3.43Å; A281-S284 PolarHBondContact O-OG 3.32Å; L282-S284 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact O-N 3.13Å | ||
| 285 | K | 61.7 | Low | 75.9 | Confident | 141 Ų | 141 | 53.6 Ų | 53.6 | 61% | 0.613 | 28% | 0.284 | S | S | * | . | trans | -53.6 | 128.1 | 163.7 | -72 | -179.1 | 179.8 | 173 | 0 | 108.5 | N283 K287 L906 | N283-K285 VanDerWaalsContact C-N 3.34Å; N283-K285 PolarHBondContact O-N 3.05Å; K285-K287 PolarHBondContact O-N 3Å; K285-L906 WeakPolarHBondContact O-CD1 3.43Å | ||
| 286 | G | 59 | Low | 75.7 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 67% | 0.67 | 30% | 0.303 | S | S | * | . | trans | -58.5 | 137 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | S284 T288 | S284-G286 PolarHBondContact O-N 3.13Å; G286-T288 PolarHBondContact O-N 3.35Å | ||
| 287 | K | 62.7 | Low | 75.6 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | trans | -57.6 | 109.1 | -178.1 | -179.2 | 164.3 | -174.9 | 154.6 | 0 | 110.4 | K285 L906 A925 S926 D927 | K285-K287 PolarHBondContact O-N 3Å; K287-L906 HydrophobicContact CB-CD2 4.09Å; K287-L906 HydrophobicContact CD-CD2 4.34Å; K287-L906 HydrophobicContact CG-CD2 3.94Å; K287-A925 PolarHBondContact NZ-O 3Å; K287-S926 PolarHBondContact NZ-O 3.42Å; K287-D927 WeakPolarHBondContact CE-OD1 3.48Å; K287-D927 IonicContact NZ-OD1 2.7Å; K287-D927 PolarHBondContact NZ-OD1 2.92Å | ||
| 288 | T | 65.4 | Low | 75.4 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -66.7 | 149.1 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 110 | G286 K290 | G286-T288 PolarHBondContact O-N 3.35Å; T288-K290 PolarHBondContact O-N 3.3Å | ||
| 289 | T | 66.7 | Low | 75.2 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | trans | -69.3 | 110.2 | 167.7 | 42.6 | 0 | 0 | 0 | 0 | 108.8 | K55 | K55-T289 VanDerWaalsContact NZ-CG2 3.27Š| ||
| 290 | K | 73.6 | Confident | 75.3 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | trans | -77.8 | 142 | 167.8 | -52.9 | -171.6 | -173.6 | 179.2 | 0 | 108.2 | T288 L397 I905 L906 A908 H909 D927 | T288-K290 PolarHBondContact O-N 3.3Å; K290-L397 HydrophobicContact CB-CD1 3.92Å; K290-L397 HydrophobicContact CB-CD2 4Å; K290-L397 HydrophobicContact CD-CD1 3.98Å; K290-L397 HydrophobicContact CG-CD1 4.46Å; K290-I905 PolarHBondContact NZ-O 2.91Å; K290-L906 WeakPolarHBondContact CE-O 3.44Å; K290-A908 WeakPolarHBondContact CD-O 3.25Å; K290-A908 WeakPolarHBondContact CE-O 3.44Å; K290-A908 PolarHBondContact NZ-O 3.3Å; K290-H909 WeakPolarHBondContact CD-O 3.44Å; K290-D927 WeakPolarHBondContact CE-OD2 3.43Å; K290-D927 IonicContact NZ-OD2 2.82Å; K290-D927 PolarHBondContact NZ-OD2 3Å | ||
| 291 | F | 72.5 | Confident | 75.7 | Confident | 140 Ų | 140 | 56.7 Ų | 56.7 | 61% | 0.614 | 31% | 0.312 | S | S | * | . | trans | -113.9 | 145.1 | 176.7 | -66.5 | -82.3 | 0 | 0 | 0 | 109.4 | ||||
| 292 | S | 80.1 | Confident | 76 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -72.4 | 140.2 | 176.8 | 158.8 | 0 | 0 | 0 | 0 | 111.4 | V294 E295 G296 E399 E400 | S292-V294 VanDerWaalsContact C-N 3.27Å; S292-V294 WeakPolarHBondContact OG-CA 3.08Å; S292-V294 VanDerWaalsContact OG-CB 3.3Å; S292-V294 WeakPolarHBondContact OG-CB 3.37Å; S292-V294 PolarHBondContact OG-N 3.42Å; S292-E295 WeakPolarHBondContact O-CB 3.29Å; S292-E295 PolarHBondContact O-N 2.95Å; S292-E295 PolarHBondContact OG-N 3.23Å; S292-G296 PolarHBondContact O-N 3.4Å; S292-G296 VanDerWaalsContact O-N 3.16Å; S292-E399 WeakPolarHBondContact CB-OE1 3.27Å; S292-E399 PolarHBondContact OG-OE1 3Å; S292-E399 VanDerWaalsContact OG-OE1 3.05Å; S292-E400 VanDerWaalsContact CA-OE1 3.32Å; S292-E400 WeakPolarHBondContact CA-OE1 3.4Å; S292-E400 VanDerWaalsContact CB-OE1 3.28Å; S292-E400 WeakPolarHBondContact CB-OE1 3.24Å; S292-E400 PolarHBondContact OG-OE1 3.24Å | ||
| 293 | Q | 78.1 | Confident | 76.5 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -29.6 | 168.4 | -78.6 | -162.6 | 13.6 | 0 | 0 | 112.2 | E295 G296 R297 E400 I889 I891 | Q293-E295 VanDerWaalsContact C-N 3.29Å; Q293-E295 PolarHBondContact O-N 2.91Å; Q293-G296 CarbonylContact O-C 3.59Å; Q293-G296 WeakPolarHBondContact O-CA 3.17Å; Q293-G296 PolarHBondContact O-N 3.41Å; Q293-G296 VanDerWaalsContact O-N 3.11Å; Q293-R297 PolarHBondContact O-N 3.13Å; Q293-E400 VanDerWaalsContact N-CD 3.34Å; Q293-E400 PolarHBondContact N-OE1 3.45Å; Q293-E400 PolarHBondContact N-OE2 3.29Å; Q293-I889 PolarHBondContact NE2-O 3.37Å; Q293-I891 HydrophobicContact CB-CD1 4.22Å; Q293-I891 HydrophobicContact CG-CD1 3.58Å; Q293-I891 VanDerWaalsContact NE2-CD1 3.29Å |
| 294 | V | 80.6 | Confident | 77.4 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 171 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | S292 R297 L298 E399 E400 Y948 V951 L1032 | S292-V294 VanDerWaalsContact C-N 3.27Å; S292-V294 WeakPolarHBondContact OG-CA 3.08Å; S292-V294 VanDerWaalsContact OG-CB 3.3Å; S292-V294 WeakPolarHBondContact OG-CB 3.37Å; S292-V294 PolarHBondContact OG-N 3.42Å; V294-R297 PolarHBondContact O-N 3.06Å; V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.38Å; V294-L298 PolarHBondContact O-N 3Å; V294-E399 HydrophobicContact CB-CG 4.04Å; V294-E399 HydrophobicContact CG2-CG 3.82Å; V294-E400 PolarHBondContact N-OE1 3.46Å; V294-Y948 HydrophobicContact CG2-CD2 4.17Å; V294-Y948 HydrophobicContact CG2-CE2 3.94Å; V294-V951 HydrophobicContact CG1-CG1 4.05Å; V294-L1032 HydrophobicContact CB-CD1 4.31Å; V294-L1032 HydrophobicContact CG1-CD1 3.58Å; V294-L1032 HydrophobicContact CG2-CD1 4.1Å |
| 295 | E | 80.9 | Confident | 78.6 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 172 | -70 | 175.1 | -165.4 | 0 | 0 | 112.3 | S292 Q293 R297 L298 N299 K368 | S292-E295 WeakPolarHBondContact O-CB 3.29Å; S292-E295 PolarHBondContact O-N 2.95Å; S292-E295 PolarHBondContact OG-N 3.23Å; Q293-E295 VanDerWaalsContact C-N 3.29Å; Q293-E295 PolarHBondContact O-N 2.91Å; E295-R297 PolarHBondContact O-N 2.95Å; E295-L298 PolarHBondContact O-N 3.11Å; E295-N299 WeakPolarHBondContact O-CB 3.45Å; E295-N299 PolarHBondContact O-N 2.75Å; E295-N299 PolarHBondContact O-ND2 3.21Å; E295-N299 VanDerWaalsContact O-ND2 3.16Å; E295-K368 IonicContact OE1-NZ 2.67Å; E295-K368 PolarHBondContact OE1-NZ 2.67Å |
| 296 | G | 82 | Confident | 79.9 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S292 Q293 F300 | S292-G296 PolarHBondContact O-N 3.4Å; S292-G296 VanDerWaalsContact O-N 3.16Å; Q293-G296 CarbonylContact O-C 3.59Å; Q293-G296 WeakPolarHBondContact O-CA 3.17Å; Q293-G296 PolarHBondContact O-N 3.41Å; Q293-G296 VanDerWaalsContact O-N 3.11Å; G296-F300 PolarHBondContact O-N 3.35Å; G296-F300 VanDerWaalsContact O-N 3.1Å |
| 297 | R | 83.9 | Confident | 81.5 | Confident | 84 Ų | 84 | 55 Ų | 55 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 174.4 | -69.7 | -63.3 | -173.7 | 97.2 | 3.3 | 112.5 | Q293 V294 E295 F300 Y301 | Q293-R297 PolarHBondContact O-N 3.13Å; V294-R297 PolarHBondContact O-N 3.06Å; E295-R297 PolarHBondContact O-N 2.95Å; R297-F300 WeakPolarHBondContact O-CB 3.27Å; R297-F300 PolarHBondContact O-N 2.87Å; R297-Y301 WeakPolarHBondContact O-CD2 3.47Å; R297-Y301 PolarHBondContact O-N 2.77Å |
| 298 | L | 86.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.2 | -175 | 162 | 0 | 0 | 0 | 111.1 | V294 E295 F300 Y301 L302 L360 Y361 I364 V955 F959 | V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.38Å; V294-L298 PolarHBondContact O-N 3Å; E295-L298 PolarHBondContact O-N 3.11Å; L298-F300 VanDerWaalsContact C-N 3.3Å; L298-F300 PolarHBondContact O-N 3.35Å; L298-Y301 PolarHBondContact O-N 3.19Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 PolarHBondContact O-N 3.34Å; L298-L360 HydrophobicContact CD1-CD2 3.93Å; L298-L360 HydrophobicContact CD1-CG 4.4Å; L298-L360 HydrophobicContact CG-CD2 4.42Å; L298-Y361 HydrophobicContact CD2-CE1 3.75Å; L298-Y361 WeakPolarHBondContact CD2-OH 3.34Å; L298-I364 HydrophobicContact CD1-CD1 3.83Å; L298-V955 HydrophobicContact CD1-CG1 4.28Å; L298-V955 HydrophobicContact CD1-CG2 3.96Å; L298-V955 HydrophobicContact CG-CG1 4.45Å; L298-F959 HydrophobicContact CG-CZ 4.41Å |
| 299 | N | 85 | Confident | 84.1 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 173.1 | -73.3 | -38.6 | 0 | 0 | 0 | 112.2 | I73 E295 L302 F303 | I73-N299 HydrophobicContact CD1-CB 4.42Å; E295-N299 WeakPolarHBondContact O-CB 3.45Å; E295-N299 PolarHBondContact O-N 2.75Å; E295-N299 PolarHBondContact O-ND2 3.21Å; E295-N299 VanDerWaalsContact O-ND2 3.16Å; N299-L302 WeakPolarHBondContact O-CB 3.46Å; N299-L302 PolarHBondContact O-N 2.98Å; N299-F303 PolarHBondContact O-N 3.13Å; N299-F303 VanDerWaalsContact O-N 3.13Å |
| 300 | F | 86.7 | Confident | 85.3 | Confident | 80 Ų | 80 | 50 Ų | 50 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 172 | 177.8 | -94 | 0 | 0 | 0 | 111.5 | G296 R297 L298 L302 F303 F304 | G296-F300 PolarHBondContact O-N 3.35Å; G296-F300 VanDerWaalsContact O-N 3.1Å; R297-F300 WeakPolarHBondContact O-CB 3.27Å; R297-F300 PolarHBondContact O-N 2.87Å; L298-F300 VanDerWaalsContact C-N 3.3Å; L298-F300 PolarHBondContact O-N 3.35Å; F300-L302 PolarHBondContact O-N 2.95Å; F300-F303 WeakPolarHBondContact O-CB 3.19Å; F300-F303 PolarHBondContact O-N 2.95Å; F300-F304 HydrophobicContact CD1-CD2 4.22Å; F300-F304 AromaticContact CD1-CE2 3.82Å; F300-F304 HydrophobicContact CD1-CE2 3.82Å; F300-F304 HydrophobicContact CD2-CE2 4.05Å; F300-F304 HydrophobicContact CE1-CD2 4.05Å; F300-F304 AromaticContact CE1-CE2 3.37Å; F300-F304 HydrophobicContact CE1-CE2 3.37Å; F300-F304 HydrophobicContact CE1-CZ 4.17Å; F300-F304 AromaticContact CE2-CE2 3.64Å; F300-F304 HydrophobicContact CE2-CE2 3.64Å; F300-F304 HydrophobicContact CE2-CZ 4.14Å; F300-F304 HydrophobicContact CG-CE2 4.15Å; F300-F304 HydrophobicContact CZ-CD2 4.36Å; F300-F304 AromaticContact CZ-CE2 3.28Å; F300-F304 HydrophobicContact CZ-CE2 3.28Å; F300-F304 AromaticContact CZ-CZ 3.73Å; F300-F304 HydrophobicContact CZ-CZ 3.73Å; F300-F304 WeakPolarHBondContact O-CD2 3.44Å; F300-F304 PolarHBondContact O-N 3.4Å |
| 301 | Y | 89 | Confident | 86.2 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 176 | -67.6 | -50.9 | 0 | 0 | 0 | 113.4 | R297 L298 F303 F304 I305 L1032 K1034 F1037 | R297-Y301 WeakPolarHBondContact O-CD2 3.47Å; R297-Y301 PolarHBondContact O-N 2.77Å; L298-Y301 PolarHBondContact O-N 3.19Å; Y301-F303 VanDerWaalsContact C-N 3.26Å; Y301-F303 PolarHBondContact O-N 3.11Å; Y301-F304 PolarHBondContact O-N 3.19Å; Y301-I305 WeakPolarHBondContact O-CG1 3.46Å; Y301-I305 PolarHBondContact O-N 2.66Å; Y301-L1032 PolarHBondContact OH-O 3.13Å; Y301-K1034 PolarHBondContact OH-N 2.72Å; Y301-F1037 HydrophobicContact CD1-CB 4.44Å; Y301-F1037 AromaticContact CD1-CD1 3.75Å; Y301-F1037 HydrophobicContact CD1-CD1 3.75Å; Y301-F1037 AromaticContact CD1-CD2 3.79Å; Y301-F1037 HydrophobicContact CD1-CD2 3.79Å; Y301-F1037 AromaticContact CD1-CE1 3.84Å; Y301-F1037 HydrophobicContact CD1-CE1 3.84Å; Y301-F1037 AromaticContact CD1-CE2 3.89Å; Y301-F1037 HydrophobicContact CD1-CE2 3.89Å; Y301-F1037 AromaticContact CD1-CG 3.72Å; Y301-F1037 HydrophobicContact CD1-CG 3.72Å; Y301-F1037 AromaticContact CD1-CZ 3.91Å; Y301-F1037 HydrophobicContact CD1-CZ 3.91Å; Y301-F1037 HydrophobicContact CD2-CD2 4.19Å; Y301-F1037 HydrophobicContact CD2-CE2 4.43Å; Y301-F1037 HydrophobicContact CE1-CB 3.8Å; Y301-F1037 AromaticContact CE1-CD1 3.76Å; Y301-F1037 HydrophobicContact CE1-CD1 3.76Å; Y301-F1037 AromaticContact CE1-CD2 3.99Å; Y301-F1037 HydrophobicContact CE1-CD2 3.99Å; Y301-F1037 HydrophobicContact CE1-CE1 4.33Å; Y301-F1037 AromaticContact CE1-CG 3.57Å; Y301-F1037 HydrophobicContact CE1-CG 3.57Å; Y301-F1037 HydrophobicContact CE2-CD2 4.35Å; Y301-F1037 AromaticContact CG-CD2 3.92Å; Y301-F1037 HydrophobicContact CG-CD2 3.92Å; Y301-F1037 AromaticContact CG-CE2 3.86Å; Y301-F1037 HydrophobicContact CG-CE2 3.86Å; Y301-F1037 HydrophobicContact CG-CG 4.32Å; Y301-F1037 HydrophobicContact CG-CZ 4.19Å |
| 302 | L | 87.7 | Confident | 87.2 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -38.5 | 173.5 | -178.7 | 65.8 | 0 | 0 | 0 | 111.7 | I73 A74 L298 N299 F300 I305 L306 I356 | I73-L302 HydrophobicContact CG2-CD2 4.01Å; A74-L302 HydrophobicContact CB-CD2 4.18Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 PolarHBondContact O-N 3.34Å; N299-L302 WeakPolarHBondContact O-CB 3.46Å; N299-L302 PolarHBondContact O-N 2.98Å; F300-L302 PolarHBondContact O-N 2.95Å; L302-I305 PolarHBondContact O-N 2.85Å; L302-L306 WeakPolarHBondContact O-CB 3.35Å; L302-L306 PolarHBondContact O-N 3.47Å; L302-I356 HydrophobicContact CD1-CD1 4.18Å; L302-I356 HydrophobicContact CD1-CG1 4.17Å; L302-I356 HydrophobicContact CD1-CG2 3.56Å |
| 303 | F | 88.8 | Confident | 87.7 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.3 | -45 | 176 | 178.8 | -94.9 | 0 | 0 | 0 | 112.8 | N299 F300 Y301 I305 L306 A307 | N299-F303 PolarHBondContact O-N 3.13Å; N299-F303 VanDerWaalsContact O-N 3.13Å; F300-F303 WeakPolarHBondContact O-CB 3.19Å; F300-F303 PolarHBondContact O-N 2.95Å; Y301-F303 VanDerWaalsContact C-N 3.26Å; Y301-F303 PolarHBondContact O-N 3.11Å; F303-I305 VanDerWaalsContact C-N 3.3Å; F303-I305 PolarHBondContact O-N 2.69Å; F303-L306 PolarHBondContact O-N 2.92Å; F303-A307 WeakPolarHBondContact O-CB 3.46Å; F303-A307 PolarHBondContact O-N 3.38Å |
| 304 | F | 89.5 | Confident | 88.4 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 175.6 | -71.9 | -83.5 | 0 | 0 | 0 | 112.3 | F300 Y301 A307 F308 | F300-F304 HydrophobicContact CD1-CD2 4.22Å; F300-F304 AromaticContact CD1-CE2 3.82Å; F300-F304 HydrophobicContact CD1-CE2 3.82Å; F300-F304 HydrophobicContact CD2-CE2 4.05Å; F300-F304 HydrophobicContact CE1-CD2 4.05Å; F300-F304 AromaticContact CE1-CE2 3.37Å; F300-F304 HydrophobicContact CE1-CE2 3.37Å; F300-F304 HydrophobicContact CE1-CZ 4.17Å; F300-F304 AromaticContact CE2-CE2 3.64Å; F300-F304 HydrophobicContact CE2-CE2 3.64Å; F300-F304 HydrophobicContact CE2-CZ 4.14Å; F300-F304 HydrophobicContact CG-CE2 4.15Å; F300-F304 HydrophobicContact CZ-CD2 4.36Å; F300-F304 AromaticContact CZ-CE2 3.28Å; F300-F304 HydrophobicContact CZ-CE2 3.28Å; F300-F304 AromaticContact CZ-CZ 3.73Å; F300-F304 HydrophobicContact CZ-CZ 3.73Å; F300-F304 WeakPolarHBondContact O-CD2 3.44Å; F300-F304 PolarHBondContact O-N 3.4Å; Y301-F304 PolarHBondContact O-N 3.19Å; F304-A307 PolarHBondContact O-N 3.29Å; F304-F308 WeakPolarHBondContact O-CB 3.28Å; F304-F308 PolarHBondContact O-N 3.28Å |
| 305 | I | 90 | Very high | 89 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 177.3 | -73.8 | 170.4 | 0 | 0 | 0 | 111.4 | Y301 L302 F303 A307 F308 L309 I355 I356 F959 F1037 | Y301-I305 WeakPolarHBondContact O-CG1 3.46Å; Y301-I305 PolarHBondContact O-N 2.66Å; L302-I305 PolarHBondContact O-N 2.85Å; F303-I305 VanDerWaalsContact C-N 3.3Å; F303-I305 PolarHBondContact O-N 2.69Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-F308 PolarHBondContact O-N 3.14Å; I305-L309 WeakPolarHBondContact O-CB 3.44Å; I305-L309 PolarHBondContact O-N 2.92Å; I305-I355 HydrophobicContact CG2-CB 4.46Å; I305-I355 HydrophobicContact CG2-CG2 3.54Å; I305-I356 HydrophobicContact CG2-CD1 4.48Å; I305-I356 HydrophobicContact CG2-CG1 3.73Å; I305-F959 HydrophobicContact CD1-CB 4.37Å; I305-F959 HydrophobicContact CD1-CD1 3.16Å; I305-F959 HydrophobicContact CD1-CD2 4.49Å; I305-F959 HydrophobicContact CD1-CE1 3.35Å; I305-F959 HydrophobicContact CD1-CG 3.79Å; I305-F959 HydrophobicContact CD1-CZ 4.11Å; I305-F1037 HydrophobicContact CD1-CZ 4.1Å; I305-F1037 HydrophobicContact CG1-CZ 4.42Å |
| 306 | L | 89.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.6 | -172.5 | 67.7 | 0 | 0 | 0 | 111.4 | Y77 L302 F303 L309 A310 I356 | Y77-L306 HydrophobicContact CD2-CD1 4.01Å; Y77-L306 HydrophobicContact CE2-CD1 3.78Å; L302-L306 WeakPolarHBondContact O-CB 3.35Å; L302-L306 PolarHBondContact O-N 3.47Å; F303-L306 PolarHBondContact O-N 2.92Å; L306-L309 PolarHBondContact O-N 3.11Å; L306-A310 WeakPolarHBondContact O-CB 3.45Å; L306-A310 PolarHBondContact O-N 2.9Å; L306-I356 HydrophobicContact CD1-CD1 3.91Å |
| 307 | A | 91.7 | Very high | 89.8 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F303 F304 I305 A310 F311 | F303-A307 WeakPolarHBondContact O-CB 3.46Å; F303-A307 PolarHBondContact O-N 3.38Å; F304-A307 PolarHBondContact O-N 3.29Å; I305-A307 VanDerWaalsContact C-N 3.33Å; A307-A310 PolarHBondContact O-N 3.46Å; A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.27Å |
| 308 | F | 91.6 | Very high | 90.1 | Very high | 78 Ų | 78 | 51 Ų | 51 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 173.2 | 176.5 | -104.4 | 0 | 0 | 0 | 112.2 | F304 I305 F311 S312 I355 L963 L967 M970 | F304-F308 WeakPolarHBondContact O-CB 3.28Å; F304-F308 PolarHBondContact O-N 3.28Å; I305-F308 PolarHBondContact O-N 3.14Å; F308-F311 PolarHBondContact O-N 2.99Å; F308-S312 PolarHBondContact O-N 3.2Å; F308-S312 PolarHBondContact O-OG 3.47Å; F308-I355 HydrophobicContact CD1-CD1 4.12Å; F308-I355 HydrophobicContact CE1-CD1 4.03Å; F308-L963 HydrophobicContact CE1-CD1 4.08Å; F308-L967 HydrophobicContact CZ-CD2 4.39Å; F308-M970 HydrophobicContact CE1-CE 4.33Å; F308-M970 HydrophobicContact CE1-SD 4.32Å; F308-M970 HydrophobicContact CZ-CE 3.98Å; F308-M970 HydrophobicContact CZ-SD 4.46Å |
| 309 | L | 91.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.5 | 179.1 | 145.9 | 0 | 0 | 0 | 111.8 | I305 L306 F311 S312 V313 Y352 | I305-L309 WeakPolarHBondContact O-CB 3.44Å; I305-L309 PolarHBondContact O-N 2.92Å; L306-L309 PolarHBondContact O-N 3.11Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 3.16Å; L309-S312 PolarHBondContact O-N 2.81Å; L309-S312 PolarHBondContact O-OG 3.42Å; L309-S312 VanDerWaalsContact O-OG 3.05Å; L309-V313 HydrophobicContact CD2-CG2 4.45Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 VanDerWaalsContact O-CG2 3.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.41Å; L309-V313 PolarHBondContact O-N 3.41Å; L309-Y352 WeakPolarHBondContact CD1-O 3.41Å |
| 310 | A | 91.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L306 A307 I314 | L306-A310 WeakPolarHBondContact O-CB 3.45Å; L306-A310 PolarHBondContact O-N 2.9Å; A307-A310 PolarHBondContact O-N 3.46Å; A310-I314 WeakPolarHBondContact O-CD1 3.48Å; A310-I314 VanDerWaalsContact O-CG1 3.25Å; A310-I314 WeakPolarHBondContact O-CG1 3.32Å; A310-I314 PolarHBondContact O-N 3.31Å |
| 311 | F | 93.7 | Very high | 90.1 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 175.6 | 177.2 | -101 | 0 | 0 | 0 | 112.4 | A307 F308 L309 V313 I314 V315 | A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.27Å; F308-F311 PolarHBondContact O-N 2.99Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 3.16Å; F311-V313 VanDerWaalsContact C-N 3.35Å; F311-V313 PolarHBondContact O-N 2.99Å; F311-I314 PolarHBondContact O-N 3.27Å; F311-V315 HydrophobicContact CD1-CG2 4.35Å; F311-V315 HydrophobicContact CD2-CG2 4.35Å; F311-V315 HydrophobicContact CE1-CG2 3.95Å; F311-V315 HydrophobicContact CE2-CG2 3.95Å; F311-V315 HydrophobicContact CZ-CG2 3.73Å; F311-V315 WeakPolarHBondContact O-CG2 3.45Å; F311-V315 PolarHBondContact O-N 2.94Å |
| 312 | S | 91.8 | Very high | 90 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -36 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | F308 L309 S316 | F308-S312 PolarHBondContact O-N 3.2Å; F308-S312 PolarHBondContact O-OG 3.47Å; L309-S312 PolarHBondContact O-N 2.81Å; L309-S312 PolarHBondContact O-OG 3.42Å; L309-S312 VanDerWaalsContact O-OG 3.05Å; S312-S316 VanDerWaalsContact O-CB 3.3Å; S312-S316 WeakPolarHBondContact O-CB 3.36Å; S312-S316 PolarHBondContact O-N 3Å; S312-S316 PolarHBondContact O-OG 3.32Å |
| 313 | V | 92.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 172 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L309 F311 V315 S316 I317 L345 F348 V349 Y352 | L309-V313 HydrophobicContact CD2-CG2 4.45Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 VanDerWaalsContact O-CG2 3.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.41Å; L309-V313 PolarHBondContact O-N 3.41Å; F311-V313 VanDerWaalsContact C-N 3.35Å; F311-V313 PolarHBondContact O-N 2.99Å; V313-V315 PolarHBondContact O-N 3.29Å; V313-S316 PolarHBondContact O-N 2.78Å; V313-I317 HydrophobicContact CG1-CD1 3.75Å; V313-I317 WeakPolarHBondContact O-CD1 3.45Å; V313-I317 VanDerWaalsContact O-CG1 3.29Å; V313-I317 WeakPolarHBondContact O-CG1 3.38Å; V313-I317 PolarHBondContact O-N 3.15Å; V313-L345 HydrophobicContact CG1-CD1 4.45Å; V313-L345 HydrophobicContact CG1-CG 4.23Å; V313-F348 HydrophobicContact CB-CB 4.43Å; V313-F348 HydrophobicContact CG1-CB 4.12Å; V313-F348 HydrophobicContact CG2-CB 4.01Å; V313-V349 HydrophobicContact CG1-CG2 4.05Å; V313-V349 HydrophobicContact CG2-CG2 3.88Å; V313-Y352 HydrophobicContact CG2-CD2 4.13Å |
| 314 | I | 92.5 | Very high | 89 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 178.8 | -69.4 | 163.7 | 0 | 0 | 0 | 111 | A310 F311 S316 I317 I318 | A310-I314 WeakPolarHBondContact O-CD1 3.48Å; A310-I314 VanDerWaalsContact O-CG1 3.25Å; A310-I314 WeakPolarHBondContact O-CG1 3.32Å; A310-I314 PolarHBondContact O-N 3.31Å; F311-I314 PolarHBondContact O-N 3.27Å; I314-S316 VanDerWaalsContact C-N 3.34Å; I314-S316 PolarHBondContact O-N 2.89Å; I314-I317 PolarHBondContact O-N 3.24Å; I314-I318 HydrophobicContact CG2-CD1 3.86Å; I314-I318 WeakPolarHBondContact O-CG1 3.31Å; I314-I318 PolarHBondContact O-N 3.27Å |
| 315 | V | 91.8 | Very high | 88 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F311 V313 I317 I318 L319 | F311-V315 HydrophobicContact CD1-CG2 4.35Å; F311-V315 HydrophobicContact CD2-CG2 4.35Å; F311-V315 HydrophobicContact CE1-CG2 3.95Å; F311-V315 HydrophobicContact CE2-CG2 3.95Å; F311-V315 HydrophobicContact CZ-CG2 3.73Å; F311-V315 WeakPolarHBondContact O-CG2 3.45Å; F311-V315 PolarHBondContact O-N 2.94Å; V313-V315 PolarHBondContact O-N 3.29Å; V315-I317 PolarHBondContact O-N 3.46Å; V315-I318 PolarHBondContact O-N 3.35Å; V315-L319 HydrophobicContact CG1-CD1 3.66Å; V315-L319 HydrophobicContact CG1-CG 4.35Å; V315-L319 WeakPolarHBondContact O-CB 3.23Å; V315-L319 VanDerWaalsContact O-CG 3.3Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.33Å |
| 316 | S | 91.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 113 | S312 V313 I314 S320 Y352 | S312-S316 VanDerWaalsContact O-CB 3.3Å; S312-S316 WeakPolarHBondContact O-CB 3.36Å; S312-S316 PolarHBondContact O-N 3Å; S312-S316 PolarHBondContact O-OG 3.32Å; V313-S316 PolarHBondContact O-N 2.78Å; I314-S316 VanDerWaalsContact C-N 3.34Å; I314-S316 PolarHBondContact O-N 2.89Å; S316-S320 VanDerWaalsContact O-CB 3.29Å; S316-S320 WeakPolarHBondContact O-CB 3.36Å; S316-S320 PolarHBondContact O-N 2.79Å; S316-Y352 PolarHBondContact OG-OH 2.87Å |
| 317 | I | 89.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 173.6 | -63.8 | 156.7 | 0 | 0 | 0 | 110.8 | V313 I314 V315 L319 S320 S321 V341 L345 F348 | V313-I317 HydrophobicContact CG1-CD1 3.75Å; V313-I317 WeakPolarHBondContact O-CD1 3.45Å; V313-I317 VanDerWaalsContact O-CG1 3.29Å; V313-I317 WeakPolarHBondContact O-CG1 3.38Å; V313-I317 PolarHBondContact O-N 3.15Å; I314-I317 PolarHBondContact O-N 3.24Å; V315-I317 PolarHBondContact O-N 3.46Å; I317-L319 VanDerWaalsContact C-N 3.3Å; I317-L319 PolarHBondContact O-N 2.85Å; I317-S320 PolarHBondContact O-N 2.63Å; I317-S321 WeakPolarHBondContact O-CB 3.45Å; I317-S321 PolarHBondContact O-N 3.24Å; I317-V341 HydrophobicContact CG2-CG1 4.5Å; I317-L345 HydrophobicContact CD1-CB 3.59Å; I317-L345 HydrophobicContact CD1-CD1 3.59Å; I317-L345 HydrophobicContact CD1-CG 3.85Å; I317-L345 HydrophobicContact CG1-CB 4.46Å; I317-F348 HydrophobicContact CG1-CD2 3.73Å; I317-F348 HydrophobicContact CG1-CE2 3.95Å |
| 318 | I | 90.2 | Very high | 85 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.4 | -67.4 | 166.1 | 0 | 0 | 0 | 109.7 | I314 V315 S321 V322 | I314-I318 HydrophobicContact CG2-CD1 3.86Å; I314-I318 WeakPolarHBondContact O-CG1 3.31Å; I314-I318 PolarHBondContact O-N 3.27Å; V315-I318 PolarHBondContact O-N 3.35Å; I318-S321 WeakPolarHBondContact O-CB 3.49Å; I318-S321 PolarHBondContact O-N 3.08Å; I318-S321 PolarHBondContact O-OG 3.42Å; I318-V322 WeakPolarHBondContact O-CG2 3.4Å; I318-V322 PolarHBondContact O-N 3.22Å; I318-V322 VanDerWaalsContact O-N 3.09Å |
| 319 | L | 89.9 | Confident | 84.6 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 179.6 | -66.4 | 171.3 | 0 | 0 | 0 | 112.9 | V315 I317 S321 V322 L323 Y978 | V315-L319 HydrophobicContact CG1-CD1 3.66Å; V315-L319 HydrophobicContact CG1-CG 4.35Å; V315-L319 WeakPolarHBondContact O-CB 3.23Å; V315-L319 VanDerWaalsContact O-CG 3.3Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.33Å; I317-L319 VanDerWaalsContact C-N 3.3Å; I317-L319 PolarHBondContact O-N 2.85Å; L319-S321 VanDerWaalsContact C-N 3.27Å; L319-S321 PolarHBondContact O-N 2.84Å; L319-V322 PolarHBondContact O-N 3.08Å; L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 HydrophobicContact CD2-CD1 4.45Å; L319-L323 VanDerWaalsContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CB 3.25Å; L319-L323 PolarHBondContact O-N 2.85Å; L319-Y978 HydrophobicContact CB-CD2 3.5Å; L319-Y978 VanDerWaalsContact CB-CD2 3.5Å; L319-Y978 HydrophobicContact CB-CE2 3.46Å; L319-Y978 VanDerWaalsContact CB-CE2 3.46Å; L319-Y978 HydrophobicContact CB-CG 4.09Å; L319-Y978 HydrophobicContact CD1-CD2 4.46Å; L319-Y978 HydrophobicContact CD1-CE1 4.32Å; L319-Y978 HydrophobicContact CD1-CE2 3.57Å; L319-Y978 VanDerWaalsContact CD1-CZ 3.48Å; L319-Y978 VanDerWaalsContact CD1-OH 3.29Å; L319-Y978 WeakPolarHBondContact CD1-OH 3.45Å; L319-Y978 HydrophobicContact CG-CE2 4.11Å |
| 320 | S | 86.7 | Confident | 84.1 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 166.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | S316 I317 V322 G324 R336 E344 | S316-S320 VanDerWaalsContact O-CB 3.29Å; S316-S320 WeakPolarHBondContact O-CB 3.36Å; S316-S320 PolarHBondContact O-N 2.79Å; I317-S320 PolarHBondContact O-N 2.63Å; S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.19Å; S320-G324 WeakPolarHBondContact O-CA 3.48Å; S320-G324 PolarHBondContact O-N 2.86Å; S320-R336 PolarHBondContact O-NH2 3.25Å; S320-R336 VanDerWaalsContact O-NH2 3.07Å; S320-E344 PolarHBondContact OG-OE2 3.3Å |
| 321 | S | 82.8 | Confident | 83.4 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -35 | -178.2 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | I317 I318 L319 R336 | I317-S321 WeakPolarHBondContact O-CB 3.45Å; I317-S321 PolarHBondContact O-N 3.24Å; I318-S321 WeakPolarHBondContact O-CB 3.49Å; I318-S321 PolarHBondContact O-N 3.08Å; I318-S321 PolarHBondContact O-OG 3.42Å; L319-S321 VanDerWaalsContact C-N 3.27Å; L319-S321 PolarHBondContact O-N 2.84Å; S321-R336 PolarHBondContact O-NH1 2.78Å |
| 322 | V | 85.7 | Confident | 82.5 | Confident | 107 Ų | 107 | 77.9 Ų | 77.9 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -90.4 | -42 | -175.5 | 171.6 | 0 | 0 | 0 | 0 | 113.3 | I318 L319 S320 | I318-V322 WeakPolarHBondContact O-CG2 3.4Å; I318-V322 PolarHBondContact O-N 3.22Å; I318-V322 VanDerWaalsContact O-N 3.09Å; L319-V322 PolarHBondContact O-N 3.08Å; S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.19Å |
| 323 | L | 83.2 | Confident | 81.4 | Confident | 77 Ų | 77 | 83 Ų | 83 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -91.9 | -18.2 | -176.2 | -61.5 | 172.7 | 0 | 0 | 0 | 113.1 | L319 H325 Y978 | L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 HydrophobicContact CD2-CD1 4.45Å; L319-L323 VanDerWaalsContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CB 3.25Å; L319-L323 PolarHBondContact O-N 2.85Å; L323-H325 PolarHBondContact O-N 3.48Å; L323-Y978 HydrophobicContact CD1-CD2 4.2Å; L323-Y978 HydrophobicContact CD1-CE2 4.25Å |
| 324 | G | 71.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 89.6 Ų | 89.6 | 27% | 0.268 | 48% | 0.475 | S | S | . | . | trans | -65.2 | 114.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | S320 P326 | S320-G324 WeakPolarHBondContact O-CA 3.48Å; S320-G324 PolarHBondContact O-N 2.86Å; G324-P326 VanDerWaalsContact O-CD 3.27Å; G324-P326 WeakPolarHBondContact O-CD 3.49Å | ||
| 325 | H | 69.6 | Low | 79 | Confident | 157 Ų | 157 | 95.4 Ų | 95.4 | 73% | 0.727 | 49% | 0.49 | S | S | * | . | trans | -79 | 111.3 | 175 | -66.7 | -62.8 | 0 | 0 | 0 | 110.7 | L323 N327 | L323-H325 PolarHBondContact O-N 3.48Å; H325-N327 PolarHBondContact O-N 2.98Å; H325-N327 VanDerWaalsContact O-N 3.16Å | ||
| 326 | P | 64 | Low | 78.1 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.1 | -175.5 | 28.5 | -36.1 | 0 | 0 | 0 | 114.2 | G324 | G324-P326 VanDerWaalsContact O-CD 3.27Å; G324-P326 WeakPolarHBondContact O-CD 3.49Å |
| 327 | N | 67.3 | Low | 77.6 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 39.7 | -174.4 | -64.1 | -7.8 | 0 | 0 | 0 | 112.1 | H325 W329 | H325-N327 PolarHBondContact O-N 2.98Å; H325-N327 VanDerWaalsContact O-N 3.16Å; N327-W329 PolarHBondContact O-N 3.07Å |
| 328 | A | 76 | Confident | 77.4 | Confident | 18 Ų | 18 | 106.9 Ų | 106.9 | 15% | 0.149 | 55% | 0.552 | C | S | . | * | trans | -66.8 | 125.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y330 L331 | A328-Y330 HydrophobicContact CB-CD1 4.34Å; A328-Y330 HydrophobicContact CB-CE1 3.87Å; A328-Y330 HydrophobicContact CB-CE2 4.47Å; A328-Y330 PolarHBondContact O-N 2.9Å; A328-L331 HydrophobicContact CB-CB 4.46Å; A328-L331 HydrophobicContact CB-CD1 4.19Å; A328-L331 PolarHBondContact O-N 2.88Å | ||
| 329 | W | 83.3 | Confident | 77.2 | Confident | 238 Ų | 238 | 109.6 Ų | 109.6 | 90% | 0.902 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -17.3 | -170 | 71 | -88.6 | 0 | 0 | 0 | 115.7 | N327 | N327-W329 PolarHBondContact O-N 3.07Š|
| 330 | Y | 81.8 | Confident | 76.9 | Confident | 162 Ų | 162 | 108.8 Ų | 108.8 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 0.8 | -179.7 | 59 | -92.6 | 0 | 0 | 0 | 113.7 | A328 | A328-Y330 HydrophobicContact CB-CD1 4.34Å; A328-Y330 HydrophobicContact CB-CE1 3.87Å; A328-Y330 HydrophobicContact CB-CE2 4.47Å; A328-Y330 PolarHBondContact O-N 2.9Å |
| 331 | L | 76.9 | Confident | 76.8 | Confident | 103 Ų | 103 | 111 Ų | 111 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -116.2 | 141.3 | 177.3 | -72.9 | 170 | 0 | 0 | 0 | 110.8 | A328 | A328-L331 HydrophobicContact CB-CB 4.46Å; A328-L331 HydrophobicContact CB-CD1 4.19Å; A328-L331 PolarHBondContact O-N 2.88Å |
| 332 | P | 74.9 | Confident | 77 | Confident | 103 Ų | 103 | 113 Ų | 113 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | trans | -67.1 | 140.9 | 170.9 | 29.3 | -33.5 | 0 | 0 | 0 | 110.2 | E334 | P332-E334 PolarHBondContact O-N 3.34Š| ||
| 333 | P | 68 | Low | 77 | Confident | 113 Ų | 113 | 109 Ų | 109 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | trans | -71.4 | 96.4 | 179.7 | 28.4 | -34.4 | 0 | 0 | 0 | 110.8 | ||||
| 334 | E | 66.6 | Low | 77.2 | Confident | 143 Ų | 143 | 107.4 Ų | 107.4 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | trans | -90.7 | 138.3 | -179 | -153.5 | -176.9 | 170.8 | 0 | 0 | 111.9 | P332 R336 N340 | P332-E334 PolarHBondContact O-N 3.34Å; E334-R336 PolarHBondContact O-N 3.49Å; E334-N340 PolarHBondContact OE1-ND2 2.98Å | ||
| 335 | R | 67.9 | Low | 78 | Confident | 215 Ų | 215 | 109 Ų | 109 | 81% | 0.811 | 53% | 0.534 | S | S | * | . | trans | -77.3 | 118.1 | 174.7 | -70.8 | -173.9 | 178.5 | -173.8 | 0.2 | 109.5 | N337 | R335-N337 PolarHBondContact O-N 3.01Š| ||
| 336 | R | 73 | Confident | 78.9 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | trans | -58.1 | 96 | 172 | -84.6 | -173.6 | 166.6 | 163.3 | 0.2 | 110.9 | S320 S321 E334 | S320-R336 PolarHBondContact O-NH2 3.25Å; S320-R336 VanDerWaalsContact O-NH2 3.07Å; S321-R336 PolarHBondContact O-NH1 2.78Å; E334-R336 PolarHBondContact O-N 3.49Å | ||
| 337 | N | 80.7 | Confident | 80.1 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | trans | -89.6 | 157.3 | 170.3 | -64.9 | -35.9 | 0 | 0 | 0 | 110.4 | R335 W339 N340 V341 | R335-N337 PolarHBondContact O-N 3.01Å; N337-W339 PolarHBondContact O-N 3.16Å; N337-N340 PolarHBondContact O-N 3.41Å; N337-V341 PolarHBondContact O-N 2.96Å | ||
| 338 | A | 85.3 | Confident | 81.2 | Confident | 90 Ų | 90 | 90.5 Ų | 90.5 | 74% | 0.744 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.3 | -31 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F342 | A338-F342 WeakPolarHBondContact O-CB 3.43Å; A338-F342 PolarHBondContact O-N 3.28Å |
| 339 | W | 85.8 | Confident | 81.8 | Confident | 150 Ų | 150 | 90.9 Ų | 90.9 | 57% | 0.568 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 173 | -176.9 | -108.5 | 0 | 0 | 0 | 112.6 | N337 V341 F342 Q343 | N337-W339 PolarHBondContact O-N 3.16Å; W339-V341 PolarHBondContact O-N 3.14Å; W339-F342 HydrophobicContact CE3-CD1 4.12Å; W339-F342 AromaticContact CZ3-CD1 3.86Å; W339-F342 HydrophobicContact CZ3-CD1 3.86Å; W339-F342 HydrophobicContact CZ3-CE1 4.2Å; W339-F342 WeakPolarHBondContact O-CB 3.45Å; W339-F342 PolarHBondContact O-N 3.46Å; W339-F342 VanDerWaalsContact O-N 3.16Å; W339-Q343 HydrophobicContact CD2-CG 4.43Å; W339-Q343 HydrophobicContact CZ2-CG 4.35Å; W339-Q343 WeakPolarHBondContact O-CG 3.5Å; W339-Q343 PolarHBondContact O-N 2.72Å |
| 340 | N | 83.2 | Confident | 82.1 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 178.6 | -63.1 | 43.1 | 0 | 0 | 0 | 110.7 | E334 N337 F342 Q343 E344 | E334-N340 PolarHBondContact OE1-ND2 2.98Å; N337-N340 PolarHBondContact O-N 3.41Å; N340-F342 VanDerWaalsContact C-N 3.3Å; N340-F342 PolarHBondContact O-N 2.92Å; N340-Q343 PolarHBondContact O-N 3.08Å; N340-E344 PolarHBondContact O-N 3.18Å |
| 341 | V | 84.7 | Confident | 82.4 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | I317 N337 W339 L345 | I317-V341 HydrophobicContact CG2-CG1 4.5Å; N337-V341 PolarHBondContact O-N 2.96Å; W339-V341 PolarHBondContact O-N 3.14Å; V341-L345 PolarHBondContact O-N 3.09Å |
| 342 | F | 87.5 | Confident | 83 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 175 | -176.2 | -111 | 0 | 0 | 0 | 112.3 | A338 W339 N340 L345 L346 | A338-F342 WeakPolarHBondContact O-CB 3.43Å; A338-F342 PolarHBondContact O-N 3.28Å; W339-F342 HydrophobicContact CE3-CD1 4.12Å; W339-F342 AromaticContact CZ3-CD1 3.86Å; W339-F342 HydrophobicContact CZ3-CD1 3.86Å; W339-F342 HydrophobicContact CZ3-CE1 4.2Å; W339-F342 WeakPolarHBondContact O-CB 3.45Å; W339-F342 PolarHBondContact O-N 3.46Å; W339-F342 VanDerWaalsContact O-N 3.16Å; N340-F342 VanDerWaalsContact C-N 3.3Å; N340-F342 PolarHBondContact O-N 2.92Å; F342-L345 HydrophobicContact CD2-CD2 4.31Å; F342-L345 HydrophobicContact CE2-CD2 4.32Å; F342-L345 PolarHBondContact O-N 3.21Å; F342-L346 HydrophobicContact CD1-CD1 4.05Å; F342-L346 HydrophobicContact CE1-CD1 3.51Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD2 4.44Å; F342-L346 HydrophobicContact CE2-CG 4.44Å; F342-L346 HydrophobicContact CZ-CD1 3.79Å; F342-L346 HydrophobicContact CZ-CD2 4.23Å; F342-L346 HydrophobicContact CZ-CG 4.15Å; F342-L346 WeakPolarHBondContact O-CG 3.27Å; F342-L346 PolarHBondContact O-N 3.4Å |
| 343 | Q | 86.6 | Confident | 83.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 171.3 | -73.9 | -68.9 | -27.7 | 0 | 0 | 111.5 | F87 T88 W339 N340 L345 L346 G347 | F87-Q343 PolarHBondContact O-NE2 2.75Å; T88-Q343 VanDerWaalsContact CA-OE1 3.28Å; W339-Q343 HydrophobicContact CD2-CG 4.43Å; W339-Q343 HydrophobicContact CZ2-CG 4.35Å; W339-Q343 WeakPolarHBondContact O-CG 3.5Å; W339-Q343 PolarHBondContact O-N 2.72Å; N340-Q343 PolarHBondContact O-N 3.08Å; Q343-L345 PolarHBondContact O-N 2.85Å; Q343-L346 PolarHBondContact O-N 2.77Å; Q343-G347 PolarHBondContact O-N 3Å |
| 344 | E | 85.7 | Confident | 84.6 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 171.8 | -78.4 | -177.3 | -127.4 | 0 | 0 | 111 | S320 N340 L346 G347 F348 Q980 | S320-E344 PolarHBondContact OG-OE2 3.3Å; N340-E344 PolarHBondContact O-N 3.18Å; E344-L346 PolarHBondContact O-N 2.82Å; E344-G347 PolarHBondContact O-N 3.48Å; E344-F348 WeakPolarHBondContact O-CD2 3.33Å; E344-F348 PolarHBondContact O-N 3.4Å; E344-Q980 VanDerWaalsContact CA-NE2 3.32Å; E344-Q980 PolarHBondContact O-NE2 3.36Å |
| 345 | L | 88.7 | Confident | 85.7 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.6 | 172.3 | 136.2 | 0 | 0 | 0 | 112.4 | V313 I317 V341 F342 Q343 G347 F348 V349 | V313-L345 HydrophobicContact CG1-CD1 4.45Å; V313-L345 HydrophobicContact CG1-CG 4.23Å; I317-L345 HydrophobicContact CD1-CB 3.59Å; I317-L345 HydrophobicContact CD1-CD1 3.59Å; I317-L345 HydrophobicContact CD1-CG 3.85Å; I317-L345 HydrophobicContact CG1-CB 4.46Å; V341-L345 PolarHBondContact O-N 3.09Å; F342-L345 HydrophobicContact CD2-CD2 4.31Å; F342-L345 HydrophobicContact CE2-CD2 4.32Å; F342-L345 PolarHBondContact O-N 3.21Å; Q343-L345 PolarHBondContact O-N 2.85Å; L345-G347 VanDerWaalsContact C-N 3.34Å; L345-F348 PolarHBondContact O-N 2.82Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.34Å; L345-V349 VanDerWaalsContact O-N 3.15Å |
| 346 | L | 89 | Confident | 86.6 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.7 | -63.5 | -178.1 | 0 | 0 | 0 | 111.9 | I84 T88 F342 Q343 E344 F348 V349 V350 | I84-L346 HydrophobicContact CG2-CB 4.18Å; I84-L346 HydrophobicContact CG2-CD1 4.29Å; I84-L346 HydrophobicContact CG2-CD2 3.84Å; I84-L346 HydrophobicContact CG2-CG 4.32Å; T88-L346 HydrophobicContact CG2-CB 3.6Å; T88-L346 WeakPolarHBondContact OG1-CB 3.44Å; T88-L346 WeakPolarHBondContact OG1-CD1 3.44Å; F342-L346 HydrophobicContact CD1-CD1 4.05Å; F342-L346 HydrophobicContact CE1-CD1 3.51Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD2 4.44Å; F342-L346 HydrophobicContact CE2-CG 4.44Å; F342-L346 HydrophobicContact CZ-CD1 3.79Å; F342-L346 HydrophobicContact CZ-CD2 4.23Å; F342-L346 HydrophobicContact CZ-CG 4.15Å; F342-L346 WeakPolarHBondContact O-CG 3.27Å; F342-L346 PolarHBondContact O-N 3.4Å; Q343-L346 PolarHBondContact O-N 2.77Å; E344-L346 PolarHBondContact O-N 2.82Å; L346-F348 PolarHBondContact O-N 2.92Å; L346-V349 PolarHBondContact O-N 2.99Å; L346-V350 WeakPolarHBondContact O-CG2 3.35Å; L346-V350 PolarHBondContact O-N 3.34Å |
| 347 | G | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q343 E344 L345 V350 L351 | Q343-G347 PolarHBondContact O-N 3Å; E344-G347 PolarHBondContact O-N 3.48Å; L345-G347 VanDerWaalsContact C-N 3.34Å; G347-V350 PolarHBondContact O-N 2.86Å; G347-L351 WeakPolarHBondContact O-CB 3.39Å; G347-L351 PolarHBondContact O-N 2.93Å |
| 348 | F | 90.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.4 | -71.8 | -64.6 | 0 | 0 | 0 | 113.2 | V313 I317 E344 L345 L346 V350 L351 Y352 Y978 Q980 | V313-F348 HydrophobicContact CB-CB 4.43Å; V313-F348 HydrophobicContact CG1-CB 4.12Å; V313-F348 HydrophobicContact CG2-CB 4.01Å; I317-F348 HydrophobicContact CG1-CD2 3.73Å; I317-F348 HydrophobicContact CG1-CE2 3.95Å; E344-F348 WeakPolarHBondContact O-CD2 3.33Å; E344-F348 PolarHBondContact O-N 3.4Å; L345-F348 PolarHBondContact O-N 2.82Å; L346-F348 PolarHBondContact O-N 2.92Å; F348-V350 VanDerWaalsContact C-N 3.3Å; F348-V350 PolarHBondContact O-N 2.93Å; F348-L351 PolarHBondContact O-N 3.05Å; F348-Y352 HydrophobicContact CD1-CE2 4.29Å; F348-Y352 PolarHBondContact O-N 3.08Å; F348-Y978 HydrophobicContact CE1-CD1 4.36Å; F348-Y978 VanDerWaalsContact CZ-O 3.23Å; F348-Y978 WeakPolarHBondContact CZ-O 3.43Å; F348-Q980 HydrophobicContact CD1-CG 4.22Å; F348-Q980 HydrophobicContact CE1-CG 3.78Å; F348-Q980 HydrophobicContact CE2-CG 4.28Å; F348-Q980 HydrophobicContact CZ-CG 3.81Å |
| 349 | V | 89.3 | Confident | 87.3 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L81 V313 L345 L346 N353 | L81-V349 HydrophobicContact CD1-CG1 3.95Å; V313-V349 HydrophobicContact CG1-CG2 4.05Å; V313-V349 HydrophobicContact CG2-CG2 3.88Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.34Å; L345-V349 VanDerWaalsContact O-N 3.15Å; L346-V349 PolarHBondContact O-N 2.99Å; V349-N353 PolarHBondContact O-N 3.44Å |
| 350 | V | 88.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L81 I84 Q85 S90 V92 L346 G347 F348 Y352 N353 | L81-V350 HydrophobicContact CD1-CG2 4.21Å; I84-V350 HydrophobicContact CG2-CG2 4.42Å; Q85-V350 HydrophobicContact CG-CB 4.48Å; Q85-V350 HydrophobicContact CG-CG1 4.09Å; Q85-V350 HydrophobicContact CG-CG2 3.51Å; S90-V350 VanDerWaalsContact OG-CG1 3.31Å; S90-V350 WeakPolarHBondContact OG-CG1 3.29Å; V92-V350 HydrophobicContact CB-CG1 3.88Å; V92-V350 HydrophobicContact CG1-CG1 4.41Å; V92-V350 HydrophobicContact CG2-CG1 4.33Å; L346-V350 WeakPolarHBondContact O-CG2 3.35Å; L346-V350 PolarHBondContact O-N 3.34Å; G347-V350 PolarHBondContact O-N 2.86Å; F348-V350 VanDerWaalsContact C-N 3.3Å; F348-V350 PolarHBondContact O-N 2.93Å; V350-Y352 PolarHBondContact O-N 2.79Å; V350-N353 WeakPolarHBondContact O-CB 3.47Å |
| 351 | L | 88.4 | Confident | 87.4 | Confident | 6 Ų | 6 | 21.6 Ų | 21.6 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 179.7 | -163.4 | 71.3 | 0 | 0 | 0 | 112.7 | G347 F348 Q969 | G347-L351 WeakPolarHBondContact O-CB 3.39Å; G347-L351 PolarHBondContact O-N 2.93Å; F348-L351 PolarHBondContact O-N 3.05Å; L351-Q969 HydrophobicContact CD1-CG 4.4Å; L351-Q969 HydrophobicContact CD2-CG 4.34Å; L351-Q969 HydrophobicContact CG-CG 4.08Å |
| 352 | Y | 90.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -97.3 | -1.6 | -177.6 | -59.1 | -25.8 | 0 | 0 | 0 | 114.6 | L309 V313 S316 F348 V350 Y354 I355 T966 M970 | L309-Y352 WeakPolarHBondContact CD1-O 3.41Å; V313-Y352 HydrophobicContact CG2-CD2 4.13Å; S316-Y352 PolarHBondContact OG-OH 2.87Å; F348-Y352 HydrophobicContact CD1-CE2 4.29Å; F348-Y352 PolarHBondContact O-N 3.08Å; V350-Y352 PolarHBondContact O-N 2.79Å; Y352-Y354 PolarHBondContact O-N 3.12Å; Y352-I355 VanDerWaalsContact O-CG1 3.3Å; Y352-I355 WeakPolarHBondContact O-CG1 3.32Å; Y352-I355 PolarHBondContact O-N 3.22Å; Y352-I355 VanDerWaalsContact O-N 3.13Å; Y352-T966 HydrophobicContact CD1-CG2 4.21Å; Y352-M970 HydrophobicContact CD1-CG 3.83Å; Y352-M970 HydrophobicContact CE1-CB 4.36Å; Y352-M970 HydrophobicContact CE1-CG 3.48Å; Y352-M970 VanDerWaalsContact CE1-CG 3.48Å; Y352-M970 HydrophobicContact CE2-CG 4.27Å; Y352-M970 HydrophobicContact CG-CG 4.39Å |
| 353 | N | 87.5 | Confident | 87.4 | Confident | 11 Ų | 11 | 15.2 Ų | 15.2 | 6% | 0.059 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -47.7 | -36.6 | 175.6 | 162.3 | 53.3 | 0 | 0 | 0 | 113.3 | Y77 L81 V349 V350 I355 I356 | Y77-N353 WeakPolarHBondContact CE1-OD1 3.38Å; Y77-N353 PolarHBondContact OH-OD1 2.93Å; L81-N353 HydrophobicContact CD1-CB 4.48Å; L81-N353 HydrophobicContact CD2-CB 3.72Å; L81-N353 VanDerWaalsContact CD2-ND2 3.3Å; L81-N353 WeakPolarHBondContact CD2-ND2 3.45Å; L81-N353 WeakPolarHBondContact CD2-OD1 3.46Å; V349-N353 PolarHBondContact O-N 3.44Å; V350-N353 WeakPolarHBondContact O-CB 3.47Å; N353-I355 PolarHBondContact O-N 2.89Å; N353-I356 PolarHBondContact O-N 3.3Å |
| 354 | Y | 87.5 | Confident | 87.5 | Confident | 17 Ų | 17 | 14.6 Ų | 14.6 | 7% | 0.067 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -59.8 | -8.4 | -177.4 | -64.9 | -80.4 | 0 | 0 | 0 | 115.2 | Y352 I356 N962 F965 T966 L989 | Y352-Y354 PolarHBondContact O-N 3.12Å; Y354-I356 VanDerWaalsContact C-N 3.28Å; Y354-N962 VanDerWaalsContact O-CB 3.29Å; Y354-N962 WeakPolarHBondContact O-CB 3.14Å; Y354-N962 PolarHBondContact O-OD1 3.44Å; Y354-N962 VanDerWaalsContact O-OD1 3.08Å; Y354-F965 HydrophobicContact CD1-CE1 4.23Å; Y354-F965 HydrophobicContact CG-CE1 4.13Å; Y354-T966 VanDerWaalsContact C-OG1 3.26Å; Y354-T966 PolarHBondContact O-OG1 3.28Å; Y354-L989 HydrophobicContact CE1-CB 4.22Å; Y354-L989 WeakPolarHBondContact CE1-O 3.23Å; Y354-L989 HydrophobicContact CE2-CB 4.26Å; Y354-L989 HydrophobicContact CE2-CD1 4.23Å; Y354-L989 HydrophobicContact CE2-CD2 4.27Å |
| 355 | I | 90.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 13 Ų | 13 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -64.2 | -34.7 | 166.9 | -55.7 | 168.7 | 0 | 0 | 0 | 110.9 | I305 F308 Y352 N353 P357 L963 T966 M970 | I305-I355 HydrophobicContact CG2-CB 4.46Å; I305-I355 HydrophobicContact CG2-CG2 3.54Å; F308-I355 HydrophobicContact CD1-CD1 4.12Å; F308-I355 HydrophobicContact CE1-CD1 4.03Å; Y352-I355 VanDerWaalsContact O-CG1 3.3Å; Y352-I355 WeakPolarHBondContact O-CG1 3.32Å; Y352-I355 PolarHBondContact O-N 3.22Å; Y352-I355 VanDerWaalsContact O-N 3.13Å; N353-I355 PolarHBondContact O-N 2.89Å; I355-P357 WeakPolarHBondContact O-CD 3.46Å; I355-L963 HydrophobicContact CG2-CD1 4.28Å; I355-T966 HydrophobicContact CD1-CG2 4.25Å; I355-T966 HydrophobicContact CG1-CG2 3.63Å; I355-T966 PolarHBondContact N-OG1 3.08Å; I355-M970 HydrophobicContact CD1-SD 4.34Å |
| 356 | I | 87.6 | Confident | 87.4 | Confident | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -90.5 | 115.2 | -177.9 | -62.9 | 176.2 | 0 | 0 | 0 | 109.7 | Y77 F78 L302 I305 L306 N353 Y354 I358 | Y77-I356 HydrophobicContact CD1-CD1 4.23Å; Y77-I356 HydrophobicContact CD1-CG2 4.16Å; Y77-I356 HydrophobicContact CD2-CD1 4.45Å; Y77-I356 HydrophobicContact CE1-CB 4.05Å; Y77-I356 HydrophobicContact CE1-CD1 3.73Å; Y77-I356 HydrophobicContact CE1-CG1 4.44Å; Y77-I356 HydrophobicContact CE1-CG2 4.05Å; Y77-I356 HydrophobicContact CE2-CD1 3.97Å; F78-I356 HydrophobicContact CE1-CG2 4.08Å; F78-I356 HydrophobicContact CZ-CB 4.48Å; F78-I356 HydrophobicContact CZ-CG2 3.66Å; L302-I356 HydrophobicContact CD1-CD1 4.18Å; L302-I356 HydrophobicContact CD1-CG1 4.17Å; L302-I356 HydrophobicContact CD1-CG2 3.56Å; I305-I356 HydrophobicContact CG2-CD1 4.48Å; I305-I356 HydrophobicContact CG2-CG1 3.73Å; L306-I356 HydrophobicContact CD1-CD1 3.91Å; N353-I356 PolarHBondContact O-N 3.3Å; Y354-I356 VanDerWaalsContact C-N 3.28Å; I356-I358 PolarHBondContact O-N 3.44Å; I356-I358 VanDerWaalsContact O-N 3.08Å |
| 357 | P | 84.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | trans | -81.7 | 95.4 | -165.8 | 32.5 | -37.8 | 0 | 0 | 0 | 113 | I355 S359 L360 F958 F959 N962 | I355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-S359 VanDerWaalsContact C-N 3.27Å; P357-S359 PolarHBondContact O-N 3.32Å; P357-L360 HydrophobicContact CB-CB 3.82Å; P357-L360 HydrophobicContact CG-CB 3.71Å; P357-L360 HydrophobicContact CG-CD2 3.63Å; P357-L360 HydrophobicContact CG-CG 4.33Å; P357-L360 VanDerWaalsContact O-CB 3.27Å; P357-L360 WeakPolarHBondContact O-CB 3.46Å; P357-L360 PolarHBondContact O-N 3.26Å; P357-L360 VanDerWaalsContact O-N 3.11Å; P357-F958 HydrophobicContact CB-CB 4.47Å; P357-F958 HydrophobicContact CB-CD1 4.05Å; P357-F959 HydrophobicContact CG-CD1 3.96Å; P357-F959 HydrophobicContact CG-CE1 3.86Å; P357-N962 HydrophobicContact CB-CB 4.48Å; P357-N962 WeakPolarHBondContact CB-ND2 3.45Å | ||
| 358 | I | 83.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 14 Ų | 14 | 13% | 0.128 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -35 | 179.1 | -164.1 | 160.4 | 0 | 0 | 0 | 113.4 | F78 P100 L101 V104 I356 L360 | F78-I358 HydrophobicContact CB-CD1 4.03Å; F78-I358 HydrophobicContact CD1-CB 4.3Å; F78-I358 HydrophobicContact CD1-CD1 3.71Å; F78-I358 HydrophobicContact CD1-CG1 4.17Å; F78-I358 HydrophobicContact CD2-CB 4.32Å; F78-I358 HydrophobicContact CD2-CD1 3.79Å; F78-I358 HydrophobicContact CD2-CG1 3.7Å; F78-I358 HydrophobicContact CE1-CB 3.72Å; F78-I358 HydrophobicContact CE1-CD1 4.04Å; F78-I358 HydrophobicContact CE1-CG1 4.05Å; F78-I358 HydrophobicContact CE2-CB 3.77Å; F78-I358 HydrophobicContact CE2-CD1 4.13Å; F78-I358 HydrophobicContact CE2-CG1 3.59Å; F78-I358 HydrophobicContact CG-CD1 3.57Å; F78-I358 HydrophobicContact CG-CG1 4Å; F78-I358 HydrophobicContact CZ-CB 3.41Å; F78-I358 VanDerWaalsContact CZ-CB 3.41Å; F78-I358 HydrophobicContact CZ-CD1 4.24Å; F78-I358 HydrophobicContact CZ-CG1 3.76Å; P100-I358 HydrophobicContact CB-CD1 4.15Å; P100-I358 HydrophobicContact CB-CG2 4Å; L101-I358 HydrophobicContact CB-CD1 4.19Å; V104-I358 HydrophobicContact CG2-CG1 3.9Å; I356-I358 PolarHBondContact O-N 3.44Å; I356-I358 VanDerWaalsContact O-N 3.08Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 2.86Å |
| 359 | S | 85.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 17.4 Ų | 17.4 | 13% | 0.126 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -76.1 | -13.9 | 178.4 | 44.6 | 0 | 0 | 0 | 0 | 114.5 | P357 Y361 V362 T363 N993 | P357-S359 VanDerWaalsContact C-N 3.27Å; P357-S359 PolarHBondContact O-N 3.32Å; S359-Y361 PolarHBondContact O-N 2.72Å; S359-V362 PolarHBondContact O-N 2.81Å; S359-T363 PolarHBondContact O-N 2.91Å; S359-T363 PolarHBondContact O-OG1 3.1Å; S359-T363 VanDerWaalsContact O-OG1 3.06Å; S359-N993 PolarHBondContact OG-O 2.88Å; S359-N993 VanDerWaalsContact OG-O 3.11Å |
| 360 | L | 87.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 179.6 | 173.3 | 54.3 | 0 | 0 | 0 | 111.6 | L298 P357 I358 V362 T363 I364 L954 V955 F958 F959 | L298-L360 HydrophobicContact CD1-CD2 3.93Å; L298-L360 HydrophobicContact CD1-CG 4.4Å; L298-L360 HydrophobicContact CG-CD2 4.42Å; P357-L360 HydrophobicContact CB-CB 3.82Å; P357-L360 HydrophobicContact CG-CB 3.71Å; P357-L360 HydrophobicContact CG-CD2 3.63Å; P357-L360 HydrophobicContact CG-CG 4.33Å; P357-L360 VanDerWaalsContact O-CB 3.27Å; P357-L360 WeakPolarHBondContact O-CB 3.46Å; P357-L360 PolarHBondContact O-N 3.26Å; P357-L360 VanDerWaalsContact O-N 3.11Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 2.86Å; L360-V362 PolarHBondContact O-N 2.91Å; L360-T363 PolarHBondContact O-N 2.87Å; L360-I364 HydrophobicContact CD1-CD1 3.47Å; L360-I364 VanDerWaalsContact CD1-CD1 3.47Å; L360-I364 HydrophobicContact CD1-CG1 3.86Å; L360-I364 HydrophobicContact CG-CD1 3.82Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 3.2Å; L360-L954 HydrophobicContact CD1-CD2 3.76Å; L360-V955 HydrophobicContact CD1-CG2 4.32Å; L360-F958 HydrophobicContact CB-CB 4.25Å; L360-F958 HydrophobicContact CB-CD1 3.76Å; L360-F958 HydrophobicContact CB-CE1 4.31Å; L360-F958 HydrophobicContact CB-CG 4.05Å; L360-F958 HydrophobicContact CD1-CB 3.66Å; L360-F958 HydrophobicContact CD1-CD1 4.22Å; L360-F958 HydrophobicContact CD1-CD2 3.82Å; L360-F958 HydrophobicContact CD1-CG 3.65Å; L360-F958 HydrophobicContact CD2-CB 4.25Å; L360-F958 HydrophobicContact CG-CB 4.28Å; L360-F958 HydrophobicContact CG-CG 4.38Å; L360-F959 HydrophobicContact CD2-CE1 4.46Å; L360-F959 HydrophobicContact CD2-CE2 4.41Å; L360-F959 HydrophobicContact CD2-CZ 4.16Å |
| 361 | Y | 83.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 17.9 Ų | 17.9 | 13% | 0.133 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | -177.3 | -62.6 | -83.6 | 0 | 0 | 0 | 111.8 | A74 L298 S359 T363 I364 E365 | A74-Y361 HydrophobicContact CB-CD2 4.08Å; A74-Y361 HydrophobicContact CB-CE1 4.15Å; A74-Y361 HydrophobicContact CB-CE2 3.27Å; A74-Y361 VanDerWaalsContact CB-OH 3.26Å; A74-Y361 WeakPolarHBondContact CB-OH 3.32Å; L298-Y361 HydrophobicContact CD2-CE1 3.75Å; L298-Y361 WeakPolarHBondContact CD2-OH 3.34Å; S359-Y361 PolarHBondContact O-N 2.72Å; Y361-T363 PolarHBondContact O-N 3.38Å; Y361-I364 PolarHBondContact O-N 3.48Å; Y361-E365 VanDerWaalsContact O-CB 3.31Å; Y361-E365 WeakPolarHBondContact O-CB 3.46Å; Y361-E365 WeakPolarHBondContact O-CG 3.47Å; Y361-E365 PolarHBondContact O-N 3.44Å |
| 362 | V | 84 | Confident | 87.9 | Confident | 13 Ų | 13 | 18.1 Ų | 18.1 | 8% | 0.079 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | F103 V104 V107 S359 L360 E365 M366 | F103-V362 HydrophobicContact CE1-CG1 4.08Å; V104-V362 HydrophobicContact CB-CG2 3.7Å; V104-V362 HydrophobicContact CG1-CG2 3.7Å; V104-V362 HydrophobicContact CG2-CG2 3.37Å; V107-V362 HydrophobicContact CB-CG1 4.36Å; V107-V362 HydrophobicContact CG1-CG1 4.07Å; V107-V362 HydrophobicContact CG2-CG1 4.47Å; S359-V362 PolarHBondContact O-N 2.81Å; L360-V362 PolarHBondContact O-N 2.91Å; V362-E365 PolarHBondContact O-N 2.7Å; V362-M366 VanDerWaalsContact O-CB 3.29Å; V362-M366 WeakPolarHBondContact O-CB 3.47Å; V362-M366 PolarHBondContact O-N 3Å |
| 363 | T | 88.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 20.2 Ų | 20.2 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 178.7 | -56 | 0 | 0 | 0 | 0 | 111.7 | S359 L360 Y361 Q367 L954 F958 L1002 | S359-T363 PolarHBondContact O-N 2.91Å; S359-T363 PolarHBondContact O-OG1 3.1Å; S359-T363 VanDerWaalsContact O-OG1 3.06Å; L360-T363 PolarHBondContact O-N 2.87Å; Y361-T363 PolarHBondContact O-N 3.38Å; T363-Q367 WeakPolarHBondContact O-CB 3.46Å; T363-Q367 PolarHBondContact O-N 3.17Å; T363-L954 HydrophobicContact CG2-CD1 3.85Å; T363-L954 HydrophobicContact CG2-CD2 4.46Å; T363-F958 HydrophobicContact CG2-CE2 3.88Å; T363-F958 HydrophobicContact CG2-CZ 3.92Å; T363-F958 WeakPolarHBondContact OG1-CZ 3.29Å; T363-L1002 HydrophobicContact CG2-CB 4.1Å; T363-L1002 HydrophobicContact CG2-CD1 3.95Å |
| 364 | I | 88.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 171.7 | -71.5 | 170.1 | 0 | 0 | 0 | 110.5 | L298 L360 Y361 M366 Q367 K368 L954 V955 | L298-I364 HydrophobicContact CD1-CD1 3.83Å; L360-I364 HydrophobicContact CD1-CD1 3.47Å; L360-I364 VanDerWaalsContact CD1-CD1 3.47Å; L360-I364 HydrophobicContact CD1-CG1 3.86Å; L360-I364 HydrophobicContact CG-CD1 3.82Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 3.2Å; Y361-I364 PolarHBondContact O-N 3.48Å; I364-M366 VanDerWaalsContact C-N 3.3Å; I364-M366 PolarHBondContact O-N 3.35Å; I364-Q367 PolarHBondContact O-N 3.41Å; I364-K368 HydrophobicContact CG2-CD 3.84Å; I364-K368 VanDerWaalsContact CG2-CE 3.42Å; I364-K368 HydrophobicContact CG2-CG 4.12Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.33Å; I364-K368 VanDerWaalsContact O-CG 3.3Å; I364-K368 WeakPolarHBondContact O-CG 3.29Å; I364-K368 PolarHBondContact O-N 2.96Å; I364-L954 HydrophobicContact CG1-CD2 3.72Å; I364-V955 HydrophobicContact CD1-CG2 3.86Å |
| 365 | E | 84.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.047 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | -178 | -70 | -84.2 | -161.3 | 0 | 0 | 111.7 | R72 T108 K111 Y361 V362 F369 | R72-E365 IonicContact CZ-OE1 2.63Å; R72-E365 IonicContact NH1-OE1 2.63Å; R72-E365 PolarHBondContact NH1-OE1 3.48Å; R72-E365 IonicContact NH2-OE1 3.39Å; R72-E365 PolarHBondContact NH2-OE1 3.31Å; T108-E365 HydrophobicContact CG2-CG 4.31Å; K111-E365 IonicContact NZ-OE2 3.53Å; K111-E365 PolarHBondContact NZ-OE2 2.95Å; Y361-E365 VanDerWaalsContact O-CB 3.31Å; Y361-E365 WeakPolarHBondContact O-CB 3.46Å; Y361-E365 WeakPolarHBondContact O-CG 3.47Å; Y361-E365 PolarHBondContact O-N 3.44Å; V362-E365 PolarHBondContact O-N 2.7Å; E365-F369 WeakPolarHBondContact O-CB 3.42Å; E365-F369 PolarHBondContact O-N 2.98Å |
| 366 | M | 87.3 | Confident | 88.6 | Confident | 87 Ų | 87 | 23.1 Ų | 23.1 | 43% | 0.429 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -69.6 | -43 | 175.2 | -175.5 | 174.8 | -178.4 | 0 | 0 | 112.5 | V362 I364 F369 I370 L1002 | V362-M366 VanDerWaalsContact O-CB 3.29Å; V362-M366 WeakPolarHBondContact O-CB 3.47Å; V362-M366 PolarHBondContact O-N 3Å; I364-M366 VanDerWaalsContact C-N 3.3Å; I364-M366 PolarHBondContact O-N 3.35Å; M366-F369 PolarHBondContact O-N 2.93Å; M366-I370 HydrophobicContact CE-CD1 4Å; M366-I370 HydrophobicContact CG-CD1 3.98Å; M366-I370 WeakPolarHBondContact O-CG1 3.36Å; M366-I370 PolarHBondContact O-N 2.86Å; M366-L1002 HydrophobicContact CB-CD1 4.45Å; M366-L1002 HydrophobicContact CE-CD2 3.87Å; M366-L1002 HydrophobicContact CG-CD1 4.18Å; M366-L1002 HydrophobicContact SD-CD1 4.14Å; M366-L1002 HydrophobicContact SD-CD2 3.68Å |
| 367 | Q | 90.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 175.6 | -178.9 | -164.7 | 5.4 | 0 | 0 | 111.2 | T363 I364 I370 G371 R950 G1005 | T363-Q367 WeakPolarHBondContact O-CB 3.46Å; T363-Q367 PolarHBondContact O-N 3.17Å; I364-Q367 PolarHBondContact O-N 3.41Å; Q367-I370 PolarHBondContact O-N 2.77Å; Q367-G371 PolarHBondContact O-N 2.79Å; Q367-R950 VanDerWaalsContact NE2-CB 3.33Å; Q367-G1005 WeakPolarHBondContact CG-O 3.34Å; Q367-G1005 PolarHBondContact NE2-O 2.88Å |
| 368 | K | 90.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.022 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 173.5 | -80.5 | -175 | -177.9 | -159.6 | 0 | 110.9 | E295 I364 I370 G371 S372 S395 D396 I398 E399 | E295-K368 IonicContact OE1-NZ 2.67Å; E295-K368 PolarHBondContact OE1-NZ 2.67Å; I364-K368 HydrophobicContact CG2-CD 3.84Å; I364-K368 VanDerWaalsContact CG2-CE 3.42Å; I364-K368 HydrophobicContact CG2-CG 4.12Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.33Å; I364-K368 VanDerWaalsContact O-CG 3.3Å; I364-K368 WeakPolarHBondContact O-CG 3.29Å; I364-K368 PolarHBondContact O-N 2.96Å; K368-I370 PolarHBondContact O-N 3.09Å; K368-G371 PolarHBondContact O-N 2.86Å; K368-S372 PolarHBondContact O-N 3.07Å; K368-S395 WeakPolarHBondContact CB-O 3.38Å; K368-D396 PolarHBondContact NZ-O 3.28Å; K368-I398 WeakPolarHBondContact O-CD1 3.17Å; K368-E399 VanDerWaalsContact CE-CD 3.43Å; K368-E399 WeakPolarHBondContact CE-OE1 3.48Å; K368-E399 WeakPolarHBondContact CE-OE2 3.27Å; K368-E399 IonicContact NZ-OE1 2.69Å; K368-E399 PolarHBondContact NZ-OE1 2.98Å; K368-E399 IonicContact NZ-OE2 3.78Å |
| 369 | F | 89.6 | Confident | 89.7 | Confident | 72 Ų | 72 | 36.9 Ų | 36.9 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 177.6 | -179.4 | -103.1 | 0 | 0 | 0 | 112.6 | Y114 E365 M366 G371 S372 L373 | Y114-F369 HydrophobicContact CD1-CE2 4.34Å; Y114-F369 HydrophobicContact CE1-CE2 4.33Å; E365-F369 WeakPolarHBondContact O-CB 3.42Å; E365-F369 PolarHBondContact O-N 2.98Å; M366-F369 PolarHBondContact O-N 2.93Å; F369-G371 VanDerWaalsContact C-N 3.33Å; F369-G371 PolarHBondContact O-N 3.03Å; F369-S372 PolarHBondContact O-N 3.05Å; F369-S372 PolarHBondContact O-OG 2.87Å; F369-L373 HydrophobicContact CE1-CD1 4.01Å; F369-L373 HydrophobicContact CZ-CD1 4.45Å; F369-L373 PolarHBondContact O-N 3.38Å |
| 370 | I | 91.3 | Very high | 89.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 178.5 | -65.8 | 167.9 | 0 | 0 | 0 | 111.4 | M366 Q367 K368 S372 L373 F374 I1006 | M366-I370 HydrophobicContact CE-CD1 4Å; M366-I370 HydrophobicContact CG-CD1 3.98Å; M366-I370 WeakPolarHBondContact O-CG1 3.36Å; M366-I370 PolarHBondContact O-N 2.86Å; Q367-I370 PolarHBondContact O-N 2.77Å; K368-I370 PolarHBondContact O-N 3.09Å; I370-S372 VanDerWaalsContact C-N 3.3Å; I370-S372 PolarHBondContact O-N 2.79Å; I370-L373 WeakPolarHBondContact O-CB 3.11Å; I370-L373 PolarHBondContact O-N 3.46Å; I370-L373 VanDerWaalsContact O-N 3.14Å; I370-F374 HydrophobicContact CG2-CE1 4.5Å; I370-F374 HydrophobicContact CG2-CE2 4.25Å; I370-F374 HydrophobicContact CG2-CZ 4.19Å; I370-F374 PolarHBondContact O-N 3.01Å; I370-F374 VanDerWaalsContact O-N 3.11Å; I370-I1006 HydrophobicContact CD1-CD1 3.62Å; I370-I1006 HydrophobicContact CD1-CG1 4.31Å; I370-I1006 HydrophobicContact CG2-CD1 4.37Å; I370-I1006 HydrophobicContact CG2-CG1 4.19Å; I370-I1006 HydrophobicContact CG2-CG2 3.94Å |
| 371 | G | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q367 K368 F369 L373 F374 F375 F947 | Q367-G371 PolarHBondContact O-N 2.79Å; K368-G371 PolarHBondContact O-N 2.86Å; F369-G371 VanDerWaalsContact C-N 3.33Å; F369-G371 PolarHBondContact O-N 3.03Å; G371-L373 VanDerWaalsContact C-N 3.3Å; G371-L373 PolarHBondContact O-N 2.96Å; G371-F374 PolarHBondContact O-N 3.44Å; G371-F375 PolarHBondContact O-N 3.27Å; G371-F947 WeakPolarHBondContact O-CZ 3.5Å |
| 372 | S | 90.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 175.5 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | K368 F369 I370 F375 E376 | K368-S372 PolarHBondContact O-N 3.07Å; F369-S372 PolarHBondContact O-N 3.05Å; F369-S372 PolarHBondContact O-OG 2.87Å; I370-S372 VanDerWaalsContact C-N 3.3Å; I370-S372 PolarHBondContact O-N 2.79Å; S372-F375 WeakPolarHBondContact O-CB 3.46Å; S372-F375 PolarHBondContact O-N 2.97Å; S372-E376 PolarHBondContact O-N 3.09Å |
| 373 | L | 91.7 | Very high | 90.7 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.4 | -59.6 | 176.6 | 0 | 0 | 0 | 111.4 | F369 I370 G371 F375 E376 W377 | F369-L373 HydrophobicContact CE1-CD1 4.01Å; F369-L373 HydrophobicContact CZ-CD1 4.45Å; F369-L373 PolarHBondContact O-N 3.38Å; I370-L373 WeakPolarHBondContact O-CB 3.11Å; I370-L373 PolarHBondContact O-N 3.46Å; I370-L373 VanDerWaalsContact O-N 3.14Å; G371-L373 VanDerWaalsContact C-N 3.3Å; G371-L373 PolarHBondContact O-N 2.96Å; L373-F375 VanDerWaalsContact C-N 3.26Å; L373-F375 PolarHBondContact O-N 2.9Å; L373-E376 PolarHBondContact O-N 3.32Å; L373-W377 HydrophobicContact CB-CD2 4.45Å; L373-W377 HydrophobicContact CB-CH2 4.25Å; L373-W377 HydrophobicContact CB-CZ2 4.1Å; L373-W377 HydrophobicContact CB-CZ3 4.48Å; L373-W377 HydrophobicContact CD1-CH2 4.39Å; L373-W377 HydrophobicContact CD1-CZ2 4.42Å; L373-W377 WeakPolarHBondContact O-CB 3.43Å; L373-W377 PolarHBondContact O-N 3.39Å |
| 374 | F | 92.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.1 | -29.7 | 174.1 | -70.9 | -14.7 | 0 | 0 | 0 | 113.4 | I370 G371 W377 D378 I1006 F1007 | I370-F374 HydrophobicContact CG2-CE1 4.5Å; I370-F374 HydrophobicContact CG2-CE2 4.25Å; I370-F374 HydrophobicContact CG2-CZ 4.19Å; I370-F374 PolarHBondContact O-N 3.01Å; I370-F374 VanDerWaalsContact O-N 3.11Å; G371-F374 PolarHBondContact O-N 3.44Å; F374-W377 HydrophobicContact CD1-CE3 4.13Å; F374-W377 HydrophobicContact CD1-CZ3 4.38Å; F374-W377 HydrophobicContact CE1-CE3 4.5Å; F374-W377 HydrophobicContact CE1-CZ3 4.4Å; F374-D378 PolarHBondContact O-N 3.11Å; F374-I1006 HydrophobicContact CE2-CG2 3.52Å; F374-I1006 HydrophobicContact CZ-CG2 3.81Å; F374-F1007 HydrophobicContact CZ-CE1 4.04Å |
| 375 | F | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 171 | 179.8 | -93.3 | 0 | 0 | 0 | 111.8 | G371 S372 L373 W377 D378 L381 A390 A392 Y928 F930 V939 | G371-F375 PolarHBondContact O-N 3.27Å; S372-F375 WeakPolarHBondContact O-CB 3.46Å; S372-F375 PolarHBondContact O-N 2.97Å; L373-F375 VanDerWaalsContact C-N 3.26Å; L373-F375 PolarHBondContact O-N 2.9Å; F375-W377 VanDerWaalsContact C-N 3.29Å; F375-W377 PolarHBondContact O-N 3.04Å; F375-D378 PolarHBondContact O-N 3.46Å; F375-L381 HydrophobicContact CD2-CD1 4.09Å; F375-L381 HydrophobicContact CE2-CD1 3.84Å; F375-L381 HydrophobicContact CZ-CD1 4.19Å; F375-A390 HydrophobicContact CD1-CB 4.23Å; F375-A390 HydrophobicContact CE1-CB 3.84Å; F375-A390 HydrophobicContact CZ-CB 4.33Å; F375-A392 HydrophobicContact CD1-CB 4.4Å; F375-Y928 HydrophobicContact CD1-CD1 4.14Å; F375-Y928 AromaticContact CE1-CD1 3.87Å; F375-Y928 HydrophobicContact CE1-CD1 3.87Å; F375-Y928 HydrophobicContact CE1-CG 4.29Å; F375-Y928 HydrophobicContact CZ-CD1 4.21Å; F375-Y928 HydrophobicContact CZ-CG 4.28Å; F375-F930 HydrophobicContact CZ-CD1 4.48Å; F375-V939 HydrophobicContact CE2-CB 4.36Å; F375-V939 HydrophobicContact CE2-CG1 3.89Å; F375-V939 HydrophobicContact CE2-CG2 3.76Å; F375-V939 HydrophobicContact CZ-CG1 4.39Å; F375-V939 HydrophobicContact CZ-CG2 4.1Å |
| 376 | E | 92.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -26 | 177.1 | -64.6 | -155.2 | 157.7 | 0 | 0 | 113.9 | S372 L373 R389 A390 K391 A392 | S372-E376 PolarHBondContact O-N 3.09Å; L373-E376 PolarHBondContact O-N 3.32Å; E376-R389 WeakPolarHBondContact O-CD 3.24Å; E376-R389 IonicContact OE2-CZ 3.36Å; E376-R389 IonicContact OE2-NE 3.69Å; E376-R389 IonicContact OE2-NH2 3.16Å; E376-R389 PolarHBondContact OE2-NH2 2.89Å; E376-A390 WeakPolarHBondContact CA-O 3.1Å; E376-K391 WeakPolarHBondContact OE1-CA 3.22Å; E376-K391 WeakPolarHBondContact OE1-CG 3.25Å; E376-A392 HydrophobicContact CG-CB 4.25Å; E376-A392 PolarHBondContact OE1-N 3.43Å |
| 377 | W | 92.8 | Very high | 90.6 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 58% | 0.576 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.1 | -179.1 | -60.8 | -11 | 0 | 0 | 0 | 113.8 | L373 F374 F375 L379 | L373-W377 HydrophobicContact CB-CD2 4.45Å; L373-W377 HydrophobicContact CB-CH2 4.25Å; L373-W377 HydrophobicContact CB-CZ2 4.1Å; L373-W377 HydrophobicContact CB-CZ3 4.48Å; L373-W377 HydrophobicContact CD1-CH2 4.39Å; L373-W377 HydrophobicContact CD1-CZ2 4.42Å; L373-W377 WeakPolarHBondContact O-CB 3.43Å; L373-W377 PolarHBondContact O-N 3.39Å; F374-W377 HydrophobicContact CD1-CE3 4.13Å; F374-W377 HydrophobicContact CD1-CZ3 4.38Å; F374-W377 HydrophobicContact CE1-CE3 4.5Å; F374-W377 HydrophobicContact CE1-CZ3 4.4Å; F375-W377 VanDerWaalsContact C-N 3.29Å; F375-W377 PolarHBondContact O-N 3.04Å; W377-L379 PolarHBondContact O-N 3.03Å; W377-L379 VanDerWaalsContact O-N 3.16Å |
| 378 | D | 93.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | trans | -74.3 | 107 | 178.7 | -165.4 | -10.2 | 0 | 0 | 0 | 111.5 | F374 F375 N380 L381 H943 | F374-D378 PolarHBondContact O-N 3.11Å; F375-D378 PolarHBondContact O-N 3.46Å; D378-N380 PolarHBondContact O-N 2.87Å; D378-N380 VanDerWaalsContact O-N 3.1Å; D378-N380 WeakPolarHBondContact OD1-CB 3.14Å; D378-N380 PolarHBondContact OD1-N 2.8Å; D378-N380 PolarHBondContact OD1-ND2 3.28Å; D378-L381 HydrophobicContact CB-CD1 4.1Å; D378-L381 HydrophobicContact CB-CG 4.16Å; D378-L381 PolarHBondContact O-N 2.93Å; D378-H943 IonicContact OD2-CD2 3.22Å; D378-H943 IonicContact OD2-CE1 2.89Å; D378-H943 PolarHBondContact OD2-CE1 3.15Å; D378-H943 IonicContact OD2-NE2 2.74Å; D378-H943 PolarHBondContact OD2-NE2 3.26Å | ||
| 379 | L | 92.5 | Very high | 90.4 | Very high | 149 Ų | 149 | 69.3 Ų | 69.3 | 78% | 0.78 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.8 | -20.3 | 176.7 | -64.6 | 175.3 | 0 | 0 | 0 | 113.4 | W377 L381 Y382 | W377-L379 PolarHBondContact O-N 3.03Å; W377-L379 VanDerWaalsContact O-N 3.16Å; L379-L381 PolarHBondContact O-N 2.68Å; L379-Y382 PolarHBondContact O-N 3Å |
| 380 | N | 90 | Very high | 90.6 | Very high | 101 Ų | 101 | 66 Ų | 66 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -73.2 | -14.2 | 175.5 | -58.1 | -72.4 | 0 | 0 | 0 | 113 | D378 Y935 | D378-N380 PolarHBondContact O-N 2.87Å; D378-N380 VanDerWaalsContact O-N 3.1Å; D378-N380 WeakPolarHBondContact OD1-CB 3.14Å; D378-N380 PolarHBondContact OD1-N 2.8Å; D378-N380 PolarHBondContact OD1-ND2 3.28Å; N380-Y935 WeakPolarHBondContact O-CD1 3.42Å; N380-Y935 WeakPolarHBondContact O-CE1 3.31Å |
| 381 | L | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -106.1 | 10.8 | 178.6 | -52.8 | 176.8 | 0 | 0 | 0 | 112.7 | F375 D378 L379 A390 Y935 T938 V939 | F375-L381 HydrophobicContact CD2-CD1 4.09Å; F375-L381 HydrophobicContact CE2-CD1 3.84Å; F375-L381 HydrophobicContact CZ-CD1 4.19Å; D378-L381 HydrophobicContact CB-CD1 4.1Å; D378-L381 HydrophobicContact CB-CG 4.16Å; D378-L381 PolarHBondContact O-N 2.93Å; L379-L381 PolarHBondContact O-N 2.68Å; L381-A390 HydrophobicContact CB-CB 3.68Å; L381-A390 HydrophobicContact CD1-CB 3.92Å; L381-A390 HydrophobicContact CG-CB 4.47Å; L381-Y935 HydrophobicContact CD2-CD1 4.36Å; L381-Y935 HydrophobicContact CD2-CG 4.27Å; L381-T938 HydrophobicContact CD2-CG2 3.91Å; L381-V939 HydrophobicContact CD1-CG2 4.15Å; L381-V939 HydrophobicContact CD2-CG2 3.9Å |
| 382 | Y | 92.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | trans | -92.1 | 123.2 | 178.7 | 169 | -104.9 | 0 | 0 | 0 | 111.3 | L379 K384 N387 E388 R389 Y935 | L379-Y382 PolarHBondContact O-N 3Å; Y382-K384 HydrophobicContact CD1-CG 4.31Å; Y382-K384 HydrophobicContact CE1-CG 3.9Å; Y382-N387 PolarHBondContact OH-OD1 3Å; Y382-E388 WeakPolarHBondContact CD2-O 3.36Å; Y382-R389 HydrophobicContact CD2-CB 4.38Å; Y382-Y935 PolarHBondContact O-OH 3.37Å | ||
| 383 | D | 88.7 | Confident | 90.2 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 112 | 177.2 | -166.8 | -10.3 | 0 | 0 | 0 | 111.9 | R385 I386 N387 E388 R932 Y935 | D383-R385 PolarHBondContact O-N 3.25Å; D383-R385 WeakPolarHBondContact OD1-CB 3.24Å; D383-R385 PolarHBondContact OD1-N 3.16Å; D383-I386 PolarHBondContact O-N 2.7Å; D383-N387 PolarHBondContact O-N 2.87Å; D383-E388 PolarHBondContact N-O 3.42Å; D383-R932 IonicContact OD1-CZ 2.82Å; D383-R932 IonicContact OD1-NE 3.57Å; D383-R932 IonicContact OD1-NH2 2.72Å; D383-R932 PolarHBondContact OD1-NH2 3.24Å; D383-R932 WeakPolarHBondContact OD2-CG 3.26Å; D383-R932 IonicContact OD2-CZ 2.94Å; D383-R932 IonicContact OD2-NE 2.81Å; D383-R932 PolarHBondContact OD2-NE 3.01Å; D383-R932 IonicContact OD2-NH2 3.21Å; D383-Y935 HydrophobicContact CB-CE2 4.24Å |
| 384 | K | 88.8 | Confident | 89.8 | Confident | 179 Ų | 179 | 68 Ų | 68 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.8 | 175.3 | -63.6 | 177.4 | -178.4 | 176.1 | 0 | 113.7 | Y382 | Y382-K384 HydrophobicContact CD1-CG 4.31Å; Y382-K384 HydrophobicContact CE1-CG 3.9Å |
| 385 | R | 84.9 | Confident | 89.5 | Confident | 158 Ų | 158 | 65 Ų | 65 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -38 | -179.3 | -69.6 | -176 | -175.3 | 168.8 | 2.7 | 112.3 | D383 E417 | D383-R385 PolarHBondContact O-N 3.25Å; D383-R385 WeakPolarHBondContact OD1-CB 3.24Å; D383-R385 PolarHBondContact OD1-N 3.16Å; R385-E417 IonicContact NH1-OE1 3.16Å; R385-E417 PolarHBondContact NH1-OE1 3.48Å; R385-E417 IonicContact NH1-OE2 2.67Å |
| 386 | I | 84.1 | Confident | 89.1 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -18.3 | -176.6 | -48.8 | -179.9 | 0 | 0 | 0 | 110.9 | D383 E388 | D383-I386 PolarHBondContact O-N 2.7Å; I386-E388 VanDerWaalsContact C-N 3.25Å; I386-E388 HydrophobicContact CB-CB 4.42Å; I386-E388 HydrophobicContact CG2-CB 4.04Å; I386-E388 HydrophobicContact CG2-CG 3.77Å; I386-E388 PolarHBondContact O-N 3.04Å |
| 387 | N | 87.6 | Confident | 88.9 | Confident | 120 Ų | 120 | 65.8 Ų | 65.8 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 38 | -173.6 | -170.2 | 39.8 | 0 | 0 | 0 | 111.9 | Y382 D383 | Y382-N387 PolarHBondContact OH-OD1 3Å; D383-N387 PolarHBondContact O-N 2.87Å |
| 388 | E | 86.2 | Confident | 88.8 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -128.4 | 145.2 | -177.9 | -73.4 | -78 | -163.2 | 0 | 0 | 110.3 | Y382 D383 I386 Y915 R920 | Y382-E388 WeakPolarHBondContact CD2-O 3.36Å; D383-E388 PolarHBondContact N-O 3.42Å; I386-E388 VanDerWaalsContact C-N 3.25Å; I386-E388 HydrophobicContact CB-CB 4.42Å; I386-E388 HydrophobicContact CG2-CB 4.04Å; I386-E388 HydrophobicContact CG2-CG 3.77Å; I386-E388 PolarHBondContact O-N 3.04Å; E388-Y915 HydrophobicContact CB-CD2 4.35Å; E388-Y915 HydrophobicContact CB-CE2 4.06Å; E388-R920 IonicContact OE1-CZ 2.67Å; E388-R920 IonicContact OE1-NH1 2.7Å; E388-R920 PolarHBondContact OE1-NH1 3.25Å; E388-R920 IonicContact OE1-NH2 2.87Å; E388-R920 PolarHBondContact OE1-NH2 2.84Å |
| 389 | R | 92.1 | Very high | 88.7 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | trans | -97.9 | 167.8 | 177.9 | 66.1 | 173.7 | -160.5 | -164.1 | 2.1 | 111.9 | E376 Y382 Y915 | E376-R389 WeakPolarHBondContact O-CD 3.24Å; E376-R389 IonicContact OE2-CZ 3.36Å; E376-R389 IonicContact OE2-NE 3.69Å; E376-R389 IonicContact OE2-NH2 3.16Å; E376-R389 PolarHBondContact OE2-NH2 2.89Å; Y382-R389 HydrophobicContact CD2-CB 4.38Å; R389-Y915 WeakPolarHBondContact O-CE2 3.49Å; R389-Y915 PolarHBondContact O-OH 3.43Å | ||
| 390 | A | 92.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | trans | -58.6 | 144.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F375 E376 L381 A929 | F375-A390 HydrophobicContact CD1-CB 4.23Å; F375-A390 HydrophobicContact CE1-CB 3.84Å; F375-A390 HydrophobicContact CZ-CB 4.33Å; E376-A390 WeakPolarHBondContact CA-O 3.1Å; L381-A390 HydrophobicContact CB-CB 3.68Å; L381-A390 HydrophobicContact CD1-CB 3.92Å; L381-A390 HydrophobicContact CG-CB 4.47Å; A390-A929 CarbonylContact C-O 3.54Å; A390-A929 VanDerWaalsContact CA-O 3.28Å; A390-A929 WeakPolarHBondContact CA-O 2.87Å | ||
| 391 | K | 90.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 46 Ų | 46 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138 | -175.9 | -169.3 | -172.1 | -179.5 | -144.3 | 0 | 111.1 | E376 N393 Y928 A929 | E376-K391 WeakPolarHBondContact OE1-CA 3.22Å; E376-K391 WeakPolarHBondContact OE1-CG 3.25Å; K391-N393 VanDerWaalsContact CE-OD1 3.32Å; K391-N393 WeakPolarHBondContact CE-OD1 3.44Å; K391-N393 PolarHBondContact NZ-OD1 2.99Å; K391-Y928 CarbonylContact O-C 3.27Å; K391-Y928 WeakPolarHBondContact O-CA 3.2Å; K391-A929 HydrophobicContact CB-CB 4.48Å; K391-A929 PolarHBondContact N-O 3.22Å; K391-A929 PolarHBondContact O-N 3.47Å |
| 392 | A | 90.2 | Very high | 88.7 | Confident | 18 Ų | 18 | 46 Ų | 46 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 110.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | F375 E376 Y928 | F375-A392 HydrophobicContact CD1-CB 4.4Å; E376-A392 HydrophobicContact CG-CB 4.25Å; E376-A392 PolarHBondContact OE1-N 3.43Å; A392-Y928 HydrophobicContact CB-CD1 3.93Å; A392-Y928 HydrophobicContact CB-CE1 3.97Å |
| 393 | N | 84.3 | Confident | 88.7 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -84.7 | -14 | 176.7 | -65.2 | -43.6 | 0 | 0 | 0 | 112.8 | K391 V923 S926 D927 | K391-N393 VanDerWaalsContact CE-OD1 3.32Å; K391-N393 WeakPolarHBondContact CE-OD1 3.44Å; K391-N393 PolarHBondContact NZ-OD1 2.99Å; N393-V923 PolarHBondContact ND2-O 3.16Å; N393-S926 VanDerWaalsContact CB-O 3.29Å; N393-S926 WeakPolarHBondContact CB-O 3.42Å; N393-S926 PolarHBondContact ND2-O 2.9Å; N393-D927 PolarHBondContact N-O 2.63Å |
| 394 | T | 83.5 | Confident | 88.8 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | trans | -141.6 | 148.4 | 168.3 | 174.4 | 0 | 0 | 0 | 0 | 109.2 | D396 L397 D927 Y928 | T394-D396 PolarHBondContact OG1-N 3.13Å; T394-D396 PolarHBondContact OG1-OD2 3.13Å; T394-L397 HydrophobicContact CG2-CD1 4Å; T394-L397 HydrophobicContact CG2-CG 4.3Å; T394-D927 HydrophobicContact CG2-CB 3.6Å; T394-D927 WeakPolarHBondContact CG2-OD1 3.06Å; T394-D927 PolarHBondContact N-O 2.97Å; T394-Y928 PolarHBondContact O-OH 3.05Å | ||
| 395 | S | 86.1 | Confident | 89 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -97.2 | -6.1 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 113 | K111 E115 K368 L397 I398 | K111-S395 WeakPolarHBondContact CE-OG 3.42Å; K111-S395 PolarHBondContact NZ-OG 3.13Å; E115-S395 PolarHBondContact OE1-OG 3.1Å; K368-S395 WeakPolarHBondContact CB-O 3.38Å; S395-L397 PolarHBondContact O-N 3.46Å; S395-I398 WeakPolarHBondContact O-CD1 3.43Å; S395-I398 WeakPolarHBondContact O-CG1 3.28Å |
| 396 | D | 85.1 | Confident | 89.4 | Confident | 38 Ų | 38 | 28.3 Ų | 28.3 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.9 | -164.7 | -57.8 | -40.1 | 0 | 0 | 0 | 115 | K111 K368 T394 | K111-D396 IonicContact NZ-OD1 2.77Å; K111-D396 PolarHBondContact NZ-OD1 2.87Å; K368-D396 PolarHBondContact NZ-O 3.28Å; T394-D396 PolarHBondContact OG1-N 3.13Å; T394-D396 PolarHBondContact OG1-OD2 3.13Å |
| 397 | L | 88.5 | Confident | 89.9 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 17 | -163.4 | -54.8 | 174.2 | 0 | 0 | 0 | 114.3 | K290 T394 S395 E399 E400 D927 | K290-L397 HydrophobicContact CB-CD1 3.92Å; K290-L397 HydrophobicContact CB-CD2 4Å; K290-L397 HydrophobicContact CD-CD1 3.98Å; K290-L397 HydrophobicContact CG-CD1 4.46Å; T394-L397 HydrophobicContact CG2-CD1 4Å; T394-L397 HydrophobicContact CG2-CG 4.3Å; S395-L397 PolarHBondContact O-N 3.46Å; L397-E399 PolarHBondContact O-N 2.81Å; L397-E400 WeakPolarHBondContact O-CB 3.28Å; L397-E400 PolarHBondContact O-N 2.92Å; L397-D927 HydrophobicContact CD1-CB 4.19Å |
| 398 | I | 91.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -38.3 | -165.7 | -56.7 | 174.4 | 0 | 0 | 0 | 111.5 | K368 S395 E400 M401 Y928 F947 | K368-I398 WeakPolarHBondContact O-CD1 3.17Å; S395-I398 WeakPolarHBondContact O-CD1 3.43Å; S395-I398 WeakPolarHBondContact O-CG1 3.28Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 3.27Å; I398-M401 HydrophobicContact CB-CE 4.26Å; I398-M401 HydrophobicContact CG2-CE 3.66Å; I398-M401 WeakPolarHBondContact O-CB 3.36Å; I398-M401 PolarHBondContact O-N 3.01Å; I398-Y928 HydrophobicContact CG1-CE1 4.29Å; I398-Y928 WeakPolarHBondContact CG1-OH 2.98Å; I398-Y928 PolarHBondContact N-OH 3.3Å; I398-F947 HydrophobicContact CG2-CB 3.67Å; I398-F947 HydrophobicContact CG2-CD1 3.84Å; I398-F947 HydrophobicContact CG2-CD2 3.1Å; I398-F947 HydrophobicContact CG2-CE1 4.23Å; I398-F947 HydrophobicContact CG2-CE2 3.55Å; I398-F947 HydrophobicContact CG2-CG 3.27Å; I398-F947 HydrophobicContact CG2-CZ 4.1Å |
| 399 | E | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -67.5 | -26.2 | 175.9 | 68.9 | -82.4 | -158.7 | 0 | 0 | 113.3 | S292 V294 K368 L397 M401 G402 V951 | S292-E399 WeakPolarHBondContact CB-OE1 3.27Å; S292-E399 PolarHBondContact OG-OE1 3Å; S292-E399 VanDerWaalsContact OG-OE1 3.05Å; V294-E399 HydrophobicContact CB-CG 4.04Å; V294-E399 HydrophobicContact CG2-CG 3.82Å; K368-E399 VanDerWaalsContact CE-CD 3.43Å; K368-E399 WeakPolarHBondContact CE-OE1 3.48Å; K368-E399 WeakPolarHBondContact CE-OE2 3.27Å; K368-E399 IonicContact NZ-OE1 2.69Å; K368-E399 PolarHBondContact NZ-OE1 2.98Å; K368-E399 IonicContact NZ-OE2 3.78Å; L397-E399 PolarHBondContact O-N 2.81Å; E399-M401 PolarHBondContact O-N 3.4Å; E399-G402 PolarHBondContact O-N 3.19Å; E399-G402 VanDerWaalsContact O-N 3.09Å; E399-V951 HydrophobicContact CB-CB 4.18Å; E399-V951 HydrophobicContact CB-CG2 4.13Å; E399-V951 HydrophobicContact CG-CG1 4.42Å |
| 400 | E | 91.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -66.9 | -26 | 178.3 | -61.3 | -64.2 | 135.6 | 0 | 0 | 111.3 | S292 Q293 V294 L397 I398 G402 Q403 I891 I910 | S292-E400 VanDerWaalsContact CA-OE1 3.32Å; S292-E400 WeakPolarHBondContact CA-OE1 3.4Å; S292-E400 VanDerWaalsContact CB-OE1 3.28Å; S292-E400 WeakPolarHBondContact CB-OE1 3.24Å; S292-E400 PolarHBondContact OG-OE1 3.24Å; Q293-E400 VanDerWaalsContact N-CD 3.34Å; Q293-E400 PolarHBondContact N-OE1 3.45Å; Q293-E400 PolarHBondContact N-OE2 3.29Å; V294-E400 PolarHBondContact N-OE1 3.46Å; L397-E400 WeakPolarHBondContact O-CB 3.28Å; L397-E400 PolarHBondContact O-N 2.92Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 3.27Å; E400-G402 PolarHBondContact O-N 3.36Å; E400-G402 VanDerWaalsContact O-N 3.1Å; E400-Q403 PolarHBondContact O-N 2.9Å; E400-I891 WeakPolarHBondContact OE2-CD1 3.41Å; E400-I910 HydrophobicContact CB-CD1 3.61Å; E400-I910 HydrophobicContact CB-CG1 4Å; E400-I910 WeakPolarHBondContact O-CD1 3.32Å |
| 401 | M | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -60.6 | -19.7 | 174.2 | -66 | -167.6 | -81.2 | 0 | 0 | 112.6 | I398 E399 I910 F912 Y928 V939 L940 G944 Y1023 | I398-M401 HydrophobicContact CB-CE 4.26Å; I398-M401 HydrophobicContact CG2-CE 3.66Å; I398-M401 WeakPolarHBondContact O-CB 3.36Å; I398-M401 PolarHBondContact O-N 3.01Å; E399-M401 PolarHBondContact O-N 3.4Å; M401-I910 HydrophobicContact CB-CD1 4.43Å; M401-I910 HydrophobicContact CG-CD1 3.98Å; M401-I910 HydrophobicContact CG-CG2 4.45Å; M401-F912 HydrophobicContact CG-CE1 4.46Å; M401-F912 HydrophobicContact CG-CZ 4.13Å; M401-F912 HydrophobicContact SD-CE1 3.88Å; M401-F912 HydrophobicContact SD-CZ 4.09Å; M401-Y928 HydrophobicContact CE-CD2 4.32Å; M401-Y928 HydrophobicContact CE-CE1 4.24Å; M401-Y928 HydrophobicContact CE-CE2 3.97Å; M401-Y928 HydrophobicContact CG-CD2 4.48Å; M401-Y928 HydrophobicContact CG-CE2 4.2Å; M401-Y928 HydrophobicContact SD-CD2 3.8Å; M401-Y928 HydrophobicContact SD-CE2 3.87Å; M401-Y928 HydrophobicContact SD-CG 4.31Å; M401-V939 HydrophobicContact SD-CG1 3.55Å; M401-V939 VanDerWaalsContact SD-CG1 3.55Å; M401-L940 HydrophobicContact CB-CD2 4.21Å; M401-L940 WeakPolarHBondContact O-CD2 3.22Å; M401-G944 VanDerWaalsContact C-CA 3.47Å; M401-Y1023 PolarHBondContact O-OH 2.61Å |
| 402 | G | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -88.6 | 2.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | E399 E400 G944 Y1023 I1026 | E399-G402 PolarHBondContact O-N 3.19Å; E399-G402 VanDerWaalsContact O-N 3.09Å; E400-G402 PolarHBondContact O-N 3.36Å; E400-G402 VanDerWaalsContact O-N 3.1Å; G402-G944 VanDerWaalsContact CA-O 3.27Å; G402-G944 WeakPolarHBondContact CA-O 3.28Å; G402-G944 PolarHBondContact N-O 3.49Å; G402-Y1023 VanDerWaalsContact C-OH 3.22Å; G402-I1026 WeakPolarHBondContact O-CD1 3.35Å |
| 403 | Q | 91.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.019 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -122.8 | 2.1 | -175.4 | -65.8 | -60.8 | -70.7 | 0 | 0 | 114.2 | E400 E405 I891 Y948 Y1023 I1026 N1029 | E400-Q403 PolarHBondContact O-N 2.9Å; Q403-E405 PolarHBondContact O-N 3.32Å; Q403-I891 HydrophobicContact CB-CG1 3.85Å; Q403-I891 VanDerWaalsContact O-CB 3.31Å; Q403-I891 WeakPolarHBondContact O-CB 3.47Å; Q403-Y948 HydrophobicContact CG-CD2 3.7Å; Q403-Y948 HydrophobicContact CG-CE2 3.85Å; Q403-Y948 HydrophobicContact CG-CG 4.33Å; Q403-Y948 VanDerWaalsContact NE2-CE1 3.34Å; Q403-Y1023 PolarHBondContact N-OH 3.13Å; Q403-I1026 PolarHBondContact NE2-O 3.05Å; Q403-N1029 VanDerWaalsContact OE1-CA 3.29Å; Q403-N1029 PolarHBondContact OE1-ND2 2.7Å |
| 404 | V | 92.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.012 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 121.9 | -175.3 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | Y406 I783 I891 A893 I910 L940 Y1023 | V404-Y406 WeakPolarHBondContact CG1-O 3.49Å; V404-I783 HydrophobicContact CG1-CG2 4.22Å; V404-I891 HydrophobicContact CB-CG2 4.36Å; V404-I891 HydrophobicContact CG2-CG2 3.99Å; V404-A893 HydrophobicContact CB-CB 4.5Å; V404-A893 HydrophobicContact CG1-CB 3.58Å; V404-A893 HydrophobicContact CG2-CB 4.02Å; V404-I910 HydrophobicContact CG2-CD1 3.67Å; V404-L940 HydrophobicContact CB-CD2 4.39Å; V404-L940 HydrophobicContact CG2-CD2 3.86Å; V404-Y1023 PolarHBondContact N-OH 3.31Å; V404-Y1023 WeakPolarHBondContact O-CE1 3.3Å |
| 405 | E | 92.1 | Very high | 89.9 | Confident | 35 Ų | 35 | 6.4 Ų | 6.4 | 16% | 0.164 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -33.7 | 174.8 | -64.6 | -166.6 | 156.9 | 0 | 0 | 112.5 | Q403 I783 K784 P890 I891 N1028 | Q403-E405 PolarHBondContact O-N 3.32Å; E405-I783 WeakPolarHBondContact O-CA 3.25Å; E405-K784 PolarHBondContact O-N 3.35Å; E405-P890 HydrophobicContact CB-CB 4.48Å; E405-P890 VanDerWaalsContact OE2-CB 3.3Å; E405-P890 WeakPolarHBondContact OE2-CB 3.17Å; E405-I891 PolarHBondContact N-O 2.85Å; E405-N1028 PolarHBondContact OE1-ND2 3.2Å; E405-N1028 PolarHBondContact OE1-OD1 3.21Å |
| 406 | Y | 93.6 | Very high | 90 | Very high | 6 Ų | 6 | 6.2 Ų | 6.2 | 2% | 0.024 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.5 | 180 | -68.1 | -101.7 | 0 | 0 | 0 | 110.3 | V404 K784 W786 L860 I882 P890 I891 A893 | V404-Y406 WeakPolarHBondContact CG1-O 3.49Å; Y406-K784 WeakPolarHBondContact CA-O 3.22Å; Y406-K784 HydrophobicContact CD1-CB 3.85Å; Y406-K784 HydrophobicContact CD1-CD 4.37Å; Y406-K784 HydrophobicContact CE1-CB 3.98Å; Y406-K784 HydrophobicContact CE1-CD 3.63Å; Y406-K784 HydrophobicContact CE1-CG 4.32Å; Y406-K784 HydrophobicContact CG-CB 4.45Å; Y406-W786 AromaticContact CD1-CE2 3.99Å; Y406-W786 HydrophobicContact CD1-CZ2 4.17Å; Y406-W786 AromaticContact CD1-NE1 3.93Å; Y406-W786 AromaticContact CE1-CZ2 3.92Å; Y406-W786 HydrophobicContact CE1-CZ2 3.92Å; Y406-L860 VanDerWaalsContact OH-CD2 3.29Å; Y406-L860 WeakPolarHBondContact OH-CD2 3.25Å; Y406-I882 HydrophobicContact CD1-CG2 3.92Å; Y406-I882 HydrophobicContact CD2-CG2 3.87Å; Y406-I882 HydrophobicContact CE1-CD1 4.25Å; Y406-I882 HydrophobicContact CE1-CG2 4.17Å; Y406-I882 HydrophobicContact CE2-CG2 4.15Å; Y406-I882 HydrophobicContact CG-CG2 3.78Å; Y406-P890 HydrophobicContact CD2-CB 3.86Å; Y406-P890 HydrophobicContact CD2-CG 4.38Å; Y406-P890 HydrophobicContact CE2-CB 3.8Å; Y406-P890 HydrophobicContact CE2-CG 4.26Å; Y406-I891 PolarHBondContact N-O 2.87Å; Y406-I891 VanDerWaalsContact N-O 3.12Å; Y406-A893 PolarHBondContact O-N 2.67Å |
| 407 | L | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.1 | 172.6 | 176.1 | 69.1 | 0 | 0 | 0 | 109.6 | L778 I783 K784 V785 W786 A893 I895 F933 L936 | L407-L778 HydrophobicContact CD2-CD1 3.8Å; L407-I783 HydrophobicContact CB-CG2 4.02Å; L407-K784 PolarHBondContact N-O 3.1Å; L407-V785 HydrophobicContact CD2-CG1 4.36Å; L407-V785 HydrophobicContact CD2-CG2 4.26Å; L407-V785 CarbonylContact O-C 3.55Å; L407-V785 WeakPolarHBondContact O-CA 3.48Å; L407-W786 PolarHBondContact O-N 2.89Å; L407-A893 WeakPolarHBondContact CA-O 3.46Å; L407-A893 HydrophobicContact CD1-CB 4.01Å; L407-I895 HydrophobicContact CD1-CG2 4.05Å; L407-F933 HydrophobicContact CD2-CZ 4.44Å; L407-L936 HydrophobicContact CD1-CD2 4Å; L407-L936 HydrophobicContact CD2-CD2 3.43Å; L407-L936 VanDerWaalsContact CD2-CD2 3.43Å; L407-L936 HydrophobicContact CG-CD2 4.37Å |
| 408 | F | 95.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.5 | 170.7 | -57.1 | -87.1 | 0 | 0 | 0 | 109.2 | W786 L788 V878 V879 I882 T892 A893 A894 I895 M904 | F408-W786 WeakPolarHBondContact CA-O 3.47Å; F408-W786 HydrophobicContact CD1-CB 4.03Å; F408-W786 HydrophobicContact CD1-CD2 4.5Å; F408-W786 HydrophobicContact CD1-CE3 4.11Å; F408-W786 HydrophobicContact CE1-CB 4.34Å; F408-W786 AromaticContact CE1-CD2 3.94Å; F408-W786 HydrophobicContact CE1-CD2 3.94Å; F408-W786 AromaticContact CE1-CE3 3.43Å; F408-W786 HydrophobicContact CE1-CE3 3.43Å; F408-W786 VanDerWaalsContact CE1-CE3 3.43Å; F408-W786 HydrophobicContact CE1-CG 4.39Å; F408-W786 AromaticContact CE1-CZ3 3.94Å; F408-W786 HydrophobicContact CE1-CZ3 3.94Å; F408-W786 HydrophobicContact CZ-CE3 4.35Å; F408-L788 HydrophobicContact CB-CD1 4.23Å; F408-L788 HydrophobicContact CD1-CD1 3.67Å; F408-L788 HydrophobicContact CD1-CG 4.1Å; F408-L788 HydrophobicContact CE1-CD1 4.48Å; F408-L788 HydrophobicContact CG-CD1 4.3Å; F408-V878 HydrophobicContact CE1-CG1 4.09Å; F408-V879 HydrophobicContact CB-CG2 4.18Å; F408-V879 HydrophobicContact CD1-CG2 4.09Å; F408-V879 HydrophobicContact CD2-CB 4.49Å; F408-V879 HydrophobicContact CD2-CG1 4.4Å; F408-V879 HydrophobicContact CD2-CG2 3.73Å; F408-V879 HydrophobicContact CE1-CG2 4.41Å; F408-V879 HydrophobicContact CE2-CB 4.44Å; F408-V879 HydrophobicContact CE2-CG1 4.31Å; F408-V879 HydrophobicContact CE2-CG2 4.12Å; F408-V879 HydrophobicContact CG-CG2 3.72Å; F408-V879 HydrophobicContact CZ-CG2 4.44Å; F408-I882 HydrophobicContact CZ-CB 3.9Å; F408-I882 HydrophobicContact CZ-CG1 4.08Å; F408-I882 HydrophobicContact CZ-CG2 4.09Å; F408-T892 HydrophobicContact CE2-CG2 3.75Å; F408-T892 HydrophobicContact CZ-CG2 4.47Å; F408-A893 WeakPolarHBondContact CD2-O 3.38Å; F408-A893 PolarHBondContact N-O 3.09Å; F408-A894 HydrophobicContact CB-CB 4.35Å; F408-A894 CarbonylContact O-C 3.59Å; F408-A894 VanDerWaalsContact O-CA 3.24Å; F408-A894 WeakPolarHBondContact O-CA 3.39Å; F408-I895 PolarHBondContact O-N 3.01Å; F408-M904 HydrophobicContact CB-CG 4.43Å; F408-M904 HydrophobicContact CB-SD 3.97Å |
| 409 | T | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.8 | 179.4 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | T414 L415 V785 W786 V787 L788 I895 | T409-T414 VanDerWaalsContact OG1-CG2 3.25Å; T409-T414 WeakPolarHBondContact OG1-CG2 3.39Å; T409-L415 HydrophobicContact CG2-CD1 4Å; T409-L415 HydrophobicContact CG2-CD2 4.44Å; T409-L415 HydrophobicContact CG2-CG 4.36Å; T409-V785 HydrophobicContact CG2-CG1 4.14Å; T409-W786 PolarHBondContact N-O 3.44Å; T409-V787 HydrophobicContact CG2-CB 4.37Å; T409-V787 HydrophobicContact CG2-CG2 3.66Å; T409-V787 CarbonylContact O-C 3.57Å; T409-V787 WeakPolarHBondContact O-CA 3.35Å; T409-L788 PolarHBondContact O-N 3.19Å; T409-I895 WeakPolarHBondContact OG1-CG2 3.25Å |
| 410 | D | 90.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.043 | 7% | 0.071 | C | C | . | . | trans | -74.5 | 165.2 | 159.9 | -169.6 | 54.8 | 0 | 0 | 0 | 111 | T412 T414 L415 T789 K875 I895 | D410-T412 PolarHBondContact OD2-N 2.85Å; D410-T412 VanDerWaalsContact OD2-O 3.05Å; D410-T414 WeakPolarHBondContact O-CB 3.47Å; D410-T414 WeakPolarHBondContact O-CG2 3.39Å; D410-L415 WeakPolarHBondContact O-CG 3.11Å; D410-T789 WeakPolarHBondContact OD1-CA 3.45Å; D410-K875 VanDerWaalsContact CG-NZ 3.31Å; D410-K875 IonicContact OD1-NZ 2.79Å; D410-K875 PolarHBondContact OD1-NZ 2.82Å; D410-I895 PolarHBondContact N-O 2.96Å; D410-I895 VanDerWaalsContact N-O 3.16Å | ||
| 411 | K | 86.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -88.7 | -52.9 | 175.4 | -164.7 | -144.5 | 94 | 162.9 | 0 | 112.1 | L415 T416 D765 V787 T789 D791 I799 | K411-L415 WeakPolarHBondContact O-CB 2.89Å; K411-L415 PolarHBondContact O-N 3.2Å; K411-T416 PolarHBondContact O-N 3.2Å; K411-T416 PolarHBondContact O-OG1 2.92Å; K411-D765 WeakPolarHBondContact CE-OD2 3.47Å; K411-D765 IonicContact NZ-OD2 3.96Å; K411-D765 PolarHBondContact NZ-OD2 2.73Å; K411-V787 HydrophobicContact CB-CG1 4.28Å; K411-T789 HydrophobicContact CB-CG2 4.32Å; K411-T789 WeakPolarHBondContact CB-OG1 3.46Å; K411-D791 IonicContact NZ-OD2 3.53Å; K411-D791 PolarHBondContact NZ-OD2 2.87Å; K411-I799 HydrophobicContact CD-CB 4Å; K411-I799 HydrophobicContact CD-CG1 3.83Å; K411-I799 HydrophobicContact CD-CG2 4.07Å; K411-I799 HydrophobicContact CG-CB 4.08Å; K411-I799 HydrophobicContact CG-CG1 4.28Å; K411-I799 HydrophobicContact CG-CG2 3.58Å |
| 412 | T | 81.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 16.9 Ų | 16.9 | 10% | 0.104 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 131.3 | -165.1 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | T189 D410 T414 N418 | T189-T412 HydrophobicContact CG2-CG2 3.65Å; D410-T412 PolarHBondContact OD2-N 2.85Å; D410-T412 VanDerWaalsContact OD2-O 3.05Å; T412-T414 PolarHBondContact O-N 2.84Å; T412-N418 WeakPolarHBondContact CG2-OD1 3.36Å |
| 413 | G | 78.6 | Confident | 87.7 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 8% | 0.082 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -11.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T416 N418 Q768 | G413-T416 CarbonylContact C-O 3.58Å; G413-T416 VanDerWaalsContact C-O 3.32Å; G413-T416 WeakPolarHBondContact CA-O 3.46Å; G413-T416 PolarHBondContact N-OG1 2.96Å; G413-N418 PolarHBondContact N-ND2 2.94Å; G413-N418 PolarHBondContact N-OD1 3.01Å; G413-Q768 PolarHBondContact O-NE2 2.83Å |
| 414 | T | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -58.1 | -176.4 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | T409 D410 T412 Q768 I895 G896 D897 I914 F933 | T409-T414 VanDerWaalsContact OG1-CG2 3.25Å; T409-T414 WeakPolarHBondContact OG1-CG2 3.39Å; D410-T414 WeakPolarHBondContact O-CB 3.47Å; D410-T414 WeakPolarHBondContact O-CG2 3.39Å; T412-T414 PolarHBondContact O-N 2.84Å; T414-Q768 VanDerWaalsContact O-CD 3.25Å; T414-Q768 PolarHBondContact O-NE2 3.23Å; T414-I895 HydrophobicContact CG2-CG1 4.34Å; T414-I895 HydrophobicContact CG2-CG2 4.21Å; T414-G896 WeakPolarHBondContact OG1-CA 3.49Å; T414-D897 PolarHBondContact OG1-N 3.36Å; T414-I914 HydrophobicContact CG2-CD1 3.92Å; T414-F933 HydrophobicContact CG2-CD2 4.13Å; T414-F933 WeakPolarHBondContact O-CB 3.41Å |
| 415 | L | 90.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -31 | 170.8 | -65 | 176.6 | 0 | 0 | 0 | 111.7 | T409 D410 K411 L767 Q768 V771 I775 V787 F933 | T409-L415 HydrophobicContact CG2-CD1 4Å; T409-L415 HydrophobicContact CG2-CD2 4.44Å; T409-L415 HydrophobicContact CG2-CG 4.36Å; D410-L415 WeakPolarHBondContact O-CG 3.11Å; K411-L415 WeakPolarHBondContact O-CB 2.89Å; K411-L415 PolarHBondContact O-N 3.2Å; L415-L767 CarbonylContact O-C 3.44Å; L415-L767 WeakPolarHBondContact O-CA 3.48Å; L415-Q768 PolarHBondContact O-N 3.28Å; L415-V771 HydrophobicContact CD2-CG1 3.77Å; L415-I775 HydrophobicContact CD2-CD1 4.08Å; L415-V787 HydrophobicContact CD1-CG2 3.88Å; L415-F933 HydrophobicContact CD2-CD1 4.18Å; L415-F933 HydrophobicContact CD2-CD2 3.83Å; L415-F933 HydrophobicContact CD2-CE1 3.96Å; L415-F933 HydrophobicContact CD2-CE2 3.59Å; L415-F933 HydrophobicContact CD2-CG 4.12Å; L415-F933 HydrophobicContact CD2-CZ 3.67Å |
| 416 | T | 88 | Confident | 87.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 157.9 | 177.2 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | K411 G413 N418 M766 L767 Q768 I799 | K411-T416 PolarHBondContact O-N 3.2Å; K411-T416 PolarHBondContact O-OG1 2.92Å; G413-T416 CarbonylContact C-O 3.58Å; G413-T416 VanDerWaalsContact C-O 3.32Å; G413-T416 WeakPolarHBondContact CA-O 3.46Å; G413-T416 PolarHBondContact N-OG1 2.96Å; T416-N418 PolarHBondContact OG1-OD1 3.35Å; T416-N418 VanDerWaalsContact OG1-OD1 3.09Å; T416-M766 CarbonylContact C-O 3.49Å; T416-M766 WeakPolarHBondContact CA-O 3.41Å; T416-M766 WeakPolarHBondContact CB-O 3.47Å; T416-L767 HydrophobicContact CG2-CD2 4.3Å; T416-Q768 PolarHBondContact O-NE2 2.69Å; T416-I799 HydrophobicContact CG2-CD1 3.62Å; T416-I799 HydrophobicContact CG2-CG1 4.09Å; T416-I799 HydrophobicContact CG2-CG2 4.4Å |
| 417 | E | 82.1 | Confident | 87.1 | Confident | 55 Ų | 55 | 18.9 Ų | 18.9 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 3 | 171.4 | -68.8 | -161.9 | 166 | 0 | 0 | 113 | R385 M766 Q768 K917 | R385-E417 IonicContact NH1-OE1 3.16Å; R385-E417 PolarHBondContact NH1-OE1 3.48Å; R385-E417 IonicContact NH1-OE2 2.67Å; E417-M766 PolarHBondContact N-O 2.84Å; E417-Q768 HydrophobicContact CG-CB 4.34Å; E417-Q768 HydrophobicContact CG-CG 3.93Å; E417-K917 PolarHBondContact O-NZ 3.32Å |
| 418 | N | 76 | Confident | 86.5 | Confident | 57 Ų | 57 | 20.6 Ų | 20.6 | 31% | 0.305 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.5 | 49.5 | -168 | -65.7 | -16.1 | 0 | 0 | 0 | 112.4 | T412 G413 T416 | T412-N418 WeakPolarHBondContact CG2-OD1 3.36Å; G413-N418 PolarHBondContact N-ND2 2.94Å; G413-N418 PolarHBondContact N-OD1 3.01Å; T416-N418 PolarHBondContact OG1-OD1 3.35Å; T416-N418 VanDerWaalsContact OG1-OD1 3.09Å |
| 419 | S | 80.8 | Confident | 85.7 | Confident | 45 Ų | 45 | 22.8 Ų | 22.8 | 32% | 0.315 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 120.8 | -178.7 | -169 | 0 | 0 | 0 | 0 | 109.7 | M766 | S419-M766 WeakPolarHBondContact O-CB 3.3Å; S419-M766 WeakPolarHBondContact O-CG 3.4Å; S419-M766 PolarHBondContact O-N 2.89Å |
| 420 | M | 85 | Confident | 85.2 | Confident | 30 Ų | 30 | 24 Ų | 24 | 15% | 0.148 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.8 | 176 | -67.2 | -71.7 | 162.8 | 0 | 0 | 108.7 | P573 A577 I763 E764 D765 | M420-P573 HydrophobicContact CB-CB 4.4Å; M420-P573 HydrophobicContact CG-CB 3.85Å; M420-P573 HydrophobicContact CG-CG 3.86Å; M420-A577 HydrophobicContact CB-CB 3.96Å; M420-A577 VanDerWaalsContact O-CB 3.32Å; M420-A577 WeakPolarHBondContact O-CB 3.25Å; M420-I763 HydrophobicContact CB-CG2 3.87Å; M420-I763 HydrophobicContact CG-CG2 4.4Å; M420-I763 HydrophobicContact SD-CG2 3.89Å; M420-E764 WeakPolarHBondContact CA-O 3.4Å; M420-D765 HydrophobicContact CE-CB 3.61Å; M420-D765 HydrophobicContact SD-CB 3.72Å |
| 421 | Q | 85.5 | Confident | 84.9 | Confident | 79 Ų | 79 | 24.3 Ų | 24.3 | 37% | 0.369 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.7 | 175.4 | -71.2 | -170.1 | -8.5 | 0 | 0 | 110.8 | I763 E764 M766 | Q421-I763 CarbonylContact O-C 3.51Å; Q421-I763 WeakPolarHBondContact O-CA 3.31Å; Q421-E764 PolarHBondContact N-O 2.93Å; Q421-E764 PolarHBondContact O-N 2.73Å; Q421-M766 HydrophobicContact CB-CG 4Å; Q421-M766 HydrophobicContact CB-SD 4.14Å; Q421-M766 HydrophobicContact CG-CG 3.7Å; Q421-M766 HydrophobicContact CG-SD 4.22Å; Q421-M766 PolarHBondContact OE1-SD 3.38Å; Q421-M766 VanDerWaalsContact OE1-SD 3.41Å |
| 422 | F | 87.7 | Confident | 84.8 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129 | 172.1 | -173.9 | -89.6 | 0 | 0 | 0 | 109.8 | L425 F434 L501 F578 T581 T761 | F422-L425 HydrophobicContact CE1-CB 4.35Å; F422-L425 HydrophobicContact CE1-CD2 3.89Å; F422-L425 HydrophobicContact CZ-CB 3.81Å; F422-L425 HydrophobicContact CZ-CD2 3.7Å; F422-L425 HydrophobicContact CZ-CG 4.3Å; F422-F434 HydrophobicContact CD1-CB 4.04Å; F422-F434 HydrophobicContact CD1-CG 4.41Å; F422-F434 HydrophobicContact CE1-CB 4.48Å; F422-F434 WeakPolarHBondContact O-CD1 3.41Å; F422-L501 HydrophobicContact CE2-CD1 4.15Å; F422-F578 AromaticContact CD2-CD1 3.69Å; F422-F578 HydrophobicContact CD2-CD1 3.69Å; F422-F578 AromaticContact CD2-CE1 3.77Å; F422-F578 HydrophobicContact CD2-CE1 3.77Å; F422-F578 AromaticContact CE2-CD1 3.93Å; F422-F578 HydrophobicContact CE2-CD1 3.93Å; F422-F578 AromaticContact CE2-CE1 3.86Å; F422-F578 HydrophobicContact CE2-CE1 3.86Å; F422-T581 HydrophobicContact CB-CG2 3.88Å; F422-T581 VanDerWaalsContact CB-OG1 3.25Å; F422-T581 WeakPolarHBondContact CB-OG1 3.43Å; F422-T581 HydrophobicContact CD1-CG2 3.71Å; F422-T581 HydrophobicContact CE1-CG2 4.35Å; F422-T581 HydrophobicContact CG-CG2 3.92Å; F422-T761 HydrophobicContact CE2-CG2 3.7Å; F422-T761 HydrophobicContact CZ-CG2 4.23Å |
| 423 | R | 86.6 | Confident | 84.9 | Confident | 54 Ų | 54 | 25.9 Ų | 25.9 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -39.4 | -175.2 | -71.8 | -55 | -156.6 | 161.2 | 9.5 | 114.9 | H433 F434 L707 G762 E764 | R423-H433 WeakPolarHBondContact O-CA 3.42Å; R423-H433 PolarHBondContact O-ND1 2.77Å; R423-F434 PolarHBondContact O-N 2.59Å; R423-L707 HydrophobicContact CB-CD1 4.43Å; R423-L707 HydrophobicContact CB-CD2 4.07Å; R423-L707 HydrophobicContact CG-CD2 4.27Å; R423-G762 PolarHBondContact N-O 2.88Å; R423-E764 HydrophobicContact CG-CB 3.56Å; R423-E764 IonicContact CZ-OE2 2.91Å; R423-E764 VanDerWaalsContact CZ-OE2 3.22Å; R423-E764 IonicContact NE-OE2 3.42Å; R423-E764 PolarHBondContact NE-OE2 3.24Å; R423-E764 IonicContact NH2-OE2 3.63Å; R423-E764 PolarHBondContact NH2-OE2 3.17Å |
| 424 | R | 89 | Confident | 85 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.5 | -177.1 | -67.1 | -171.2 | 175.5 | -159.1 | -0.8 | 111.1 | F432 E701 F702 L705 L707 G762 | R424-F432 VanDerWaalsContact CA-O 3.26Å; R424-F432 WeakPolarHBondContact CA-O 3.49Å; R424-E701 IonicContact NH1-OE1 3.87Å; R424-E701 PolarHBondContact NH1-OE1 3.36Å; R424-F702 HydrophobicContact CB-CD1 4.45Å; R424-F702 HydrophobicContact CB-CD2 4.39Å; R424-F702 HydrophobicContact CB-CE1 3.96Å; R424-F702 HydrophobicContact CB-CE2 3.87Å; R424-F702 HydrophobicContact CB-CZ 3.63Å; R424-L705 VanDerWaalsContact NH1-CD1 3.29Å; R424-L707 HydrophobicContact CB-CD1 4.07Å; R424-L707 HydrophobicContact CG-CD1 3.96Å; R424-G762 PolarHBondContact N-O 3.15Å; R424-G762 VanDerWaalsContact N-O 3.16Å; R424-G762 PolarHBondContact O-N 3.17Å |
| 425 | L | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.3 | 163.3 | 66.8 | 89.9 | 0 | 0 | 0 | 109.3 | F422 T427 F432 L439 V494 L497 C760 | F422-L425 HydrophobicContact CE1-CB 4.35Å; F422-L425 HydrophobicContact CE1-CD2 3.89Å; F422-L425 HydrophobicContact CZ-CB 3.81Å; F422-L425 HydrophobicContact CZ-CD2 3.7Å; F422-L425 HydrophobicContact CZ-CG 4.3Å; L425-T427 HydrophobicContact CD1-CG2 3.84Å; L425-F432 HydrophobicContact CD1-CB 4.13Å; L425-F432 HydrophobicContact CD1-CD2 3.44Å; L425-F432 VanDerWaalsContact CD1-CD2 3.44Å; L425-F432 HydrophobicContact CD1-CE2 4.17Å; L425-F432 HydrophobicContact CD1-CG 4.09Å; L425-F432 HydrophobicContact CG-CB 4.13Å; L425-F432 HydrophobicContact CG-CD2 4.34Å; L425-F432 PolarHBondContact N-O 2.95Å; L425-F432 PolarHBondContact O-N 3.04Å; L425-L439 HydrophobicContact CD2-CD1 4.11Å; L425-L439 HydrophobicContact CD2-CD2 4.24Å; L425-V494 HydrophobicContact CD1-CG2 4.25Å; L425-V494 HydrophobicContact CD2-CG1 4.43Å; L425-L497 HydrophobicContact CB-CD2 3.94Å; L425-L497 HydrophobicContact CD1-CD2 4.03Å; L425-L497 HydrophobicContact CG-CD2 4.38Å; L425-C760 CarbonylContact C-O 3.56Å; L425-C760 WeakPolarHBondContact CA-O 3.35Å |
| 426 | A | 90.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | G430 V431 M690 Q698 F702 G759 C760 | A426-G430 WeakPolarHBondContact CA-O 3.13Å; A426-V431 HydrophobicContact CB-CG2 4.25Å; A426-M690 HydrophobicContact CB-CE 4.46Å; A426-M690 HydrophobicContact CB-SD 4.48Å; A426-Q698 HydrophobicContact CB-CB 4.04Å; A426-Q698 HydrophobicContact CB-CG 3.93Å; A426-F702 HydrophobicContact CB-CE2 4.39Å; A426-F702 HydrophobicContact CB-CZ 3.95Å; A426-G759 WeakPolarHBondContact O-CA 3.46Å; A426-C760 PolarHBondContact N-O 2.76Å; A426-C760 PolarHBondContact O-N 3.08Å; A426-C760 VanDerWaalsContact O-N 3.16Å |
| 427 | T | 86.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 175.9 | 165.6 | 71.1 | 0 | 0 | 0 | 0 | 108.7 | L425 M429 G430 S493 V494 L497 | L425-T427 HydrophobicContact CD1-CG2 3.84Å; T427-M429 PolarHBondContact O-N 3.15Å; T427-M429 PolarHBondContact OG1-N 3.06Å; T427-G430 PolarHBondContact N-O 3.07Å; T427-G430 PolarHBondContact O-N 3.02Å; T427-G430 VanDerWaalsContact O-N 3.09Å; T427-S493 PolarHBondContact OG1-OG 2.7Å; T427-V494 HydrophobicContact CG2-CG2 4.43Å; T427-L497 HydrophobicContact CG2-CB 4.47Å; T427-L497 HydrophobicContact CG2-CD2 4.1Å |
| 428 | S | 83.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 26% | 0.259 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.9 | 172.3 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | K687 R689 M690 | S428-K687 WeakPolarHBondContact CB-O 3.17Å; S428-K687 PolarHBondContact OG-O 2.74Å; S428-R689 WeakPolarHBondContact CB-O 3.47Å; S428-M690 VanDerWaalsContact N-CG 3.32Å |
| 429 | M | 79.6 | Confident | 81.3 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.9 | -178.7 | -59 | -60.4 | -50.4 | 0 | 0 | 113.8 | T427 R441 P489 T490 S493 | T427-M429 PolarHBondContact O-N 3.15Å; T427-M429 PolarHBondContact OG1-N 3.06Å; M429-R441 PolarHBondContact O-NH2 2.97Å; M429-P489 HydrophobicContact CE-CB 4.04Å; M429-P489 HydrophobicContact CE-CG 3.72Å; M429-P489 HydrophobicContact SD-CB 4.02Å; M429-P489 HydrophobicContact SD-CG 4.34Å; M429-T490 HydrophobicContact CB-CG2 4.34Å; M429-S493 WeakPolarHBondContact CG-OG 3.37Å |
| 430 | G | 81.8 | Confident | 81 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.3 | -173.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | A426 T427 F432 | A426-G430 WeakPolarHBondContact CA-O 3.13Å; T427-G430 PolarHBondContact N-O 3.07Å; T427-G430 PolarHBondContact O-N 3.02Å; T427-G430 VanDerWaalsContact O-N 3.09Å; G430-F432 WeakPolarHBondContact O-CD2 3.22Å; G430-F432 VanDerWaalsContact O-CE2 3.29Å; G430-F432 WeakPolarHBondContact O-CE2 3.36Å |
| 431 | V | 84.7 | Confident | 80.3 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.2 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | A426 Y442 Q698 F702 | A426-V431 HydrophobicContact CB-CG2 4.25Å; V431-Y442 PolarHBondContact O-N 2.64Å; V431-Q698 VanDerWaalsContact CG2-CD 3.46Å; V431-F702 HydrophobicContact CG1-CE1 3.86Å; V431-F702 HydrophobicContact CG1-CZ 4.02Å |
| 432 | F | 85.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.6 | 177.7 | -51.7 | -100.8 | 0 | 0 | 0 | 110.7 | R424 L425 G430 L439 F440 R441 L478 T490 V494 | R424-F432 VanDerWaalsContact CA-O 3.26Å; R424-F432 WeakPolarHBondContact CA-O 3.49Å; L425-F432 HydrophobicContact CD1-CB 4.13Å; L425-F432 HydrophobicContact CD1-CD2 3.44Å; L425-F432 VanDerWaalsContact CD1-CD2 3.44Å; L425-F432 HydrophobicContact CD1-CE2 4.17Å; L425-F432 HydrophobicContact CD1-CG 4.09Å; L425-F432 HydrophobicContact CG-CB 4.13Å; L425-F432 HydrophobicContact CG-CD2 4.34Å; L425-F432 PolarHBondContact N-O 2.95Å; L425-F432 PolarHBondContact O-N 3.04Å; G430-F432 WeakPolarHBondContact O-CD2 3.22Å; G430-F432 VanDerWaalsContact O-CE2 3.29Å; G430-F432 WeakPolarHBondContact O-CE2 3.36Å; F432-L439 HydrophobicContact CB-CD1 3.71Å; F432-L439 HydrophobicContact CB-CD2 3.97Å; F432-L439 HydrophobicContact CB-CG 3.76Å; F432-L439 HydrophobicContact CD1-CD2 4.11Å; F432-L439 HydrophobicContact CD1-CG 4.34Å; F432-L439 HydrophobicContact CG-CD2 4.14Å; F432-L439 HydrophobicContact CG-CG 4.36Å; F432-F440 CarbonylContact C-O 3.6Å; F432-F440 WeakPolarHBondContact CA-O 3.37Å; F432-R441 HydrophobicContact CD1-CB 4.15Å; F432-R441 HydrophobicContact CD1-CG 4.31Å; F432-R441 HydrophobicContact CE1-CB 4.22Å; F432-R441 HydrophobicContact CE1-CG 4.1Å; F432-L478 HydrophobicContact CD1-CD1 3.99Å; F432-L478 HydrophobicContact CE1-CD1 3.78Å; F432-T490 HydrophobicContact CE1-CG2 3.79Å; F432-T490 HydrophobicContact CZ-CG2 3.55Å; F432-V494 HydrophobicContact CD1-CG2 4.41Å; F432-V494 HydrophobicContact CD2-CG2 4.09Å; F432-V494 HydrophobicContact CE1-CG2 4.03Å; F432-V494 HydrophobicContact CE2-CG2 3.67Å; F432-V494 HydrophobicContact CG-CG2 4.44Å; F432-V494 HydrophobicContact CZ-CG2 3.63Å |
| 433 | H | 83.1 | Confident | 77.7 | Confident | 52 Ų | 52 | 44 Ų | 44 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.4 | 177 | -172.5 | 43.2 | 0 | 0 | 0 | 110.5 | R423 F440 | R423-H433 WeakPolarHBondContact O-CA 3.42Å; R423-H433 PolarHBondContact O-ND1 2.77Å; H433-F440 PolarHBondContact N-O 2.89Å; H433-F440 PolarHBondContact O-N 2.94Å |
| 434 | F | 81.4 | Confident | 75.6 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.2 | 175 | -177.6 | -102 | 0 | 0 | 0 | 110.5 | F422 R423 G438 L439 T581 L585 | F422-F434 HydrophobicContact CD1-CB 4.04Å; F422-F434 HydrophobicContact CD1-CG 4.41Å; F422-F434 HydrophobicContact CE1-CB 4.48Å; F422-F434 WeakPolarHBondContact O-CD1 3.41Å; R423-F434 PolarHBondContact O-N 2.59Å; F434-G438 WeakPolarHBondContact CA-O 3.24Å; F434-G438 WeakPolarHBondContact CD2-O 3.39Å; F434-L439 HydrophobicContact CB-CD1 4.3Å; F434-T581 HydrophobicContact CD1-CG2 4.29Å; F434-T581 HydrophobicContact CD2-CG2 4.23Å; F434-T581 HydrophobicContact CE1-CG2 4.13Å; F434-T581 HydrophobicContact CE2-CG2 4.06Å; F434-T581 HydrophobicContact CG-CG2 4.33Å; F434-T581 HydrophobicContact CZ-CG2 4Å; F434-L585 HydrophobicContact CD2-CD1 4.3Å; F434-L585 HydrophobicContact CD2-CD2 4.04Å; F434-L585 HydrophobicContact CD2-CG 4.36Å; F434-L585 HydrophobicContact CE2-CD1 4.36Å; F434-L585 HydrophobicContact CE2-CD2 3.78Å; F434-L585 HydrophobicContact CE2-CG 3.98Å |
| 435 | E | 74.8 | Confident | 72.8 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 142.3 | 178.1 | -170.4 | 171.4 | -150.7 | 0 | 0 | 110.1 | N437 G438 F440 | E435-N437 VanDerWaalsContact C-N 3.27Å; E435-N437 PolarHBondContact O-N 2.8Å; E435-N437 VanDerWaalsContact O-N 3.13Å; E435-G438 PolarHBondContact N-O 3.06Å; E435-G438 PolarHBondContact O-N 3.45Å; E435-G438 VanDerWaalsContact O-O 3.12Å; E435-F440 HydrophobicContact CB-CD2 4.5Å; E435-F440 HydrophobicContact CB-CE2 4.24Å; E435-F440 WeakPolarHBondContact O-CE2 3.49Å |
| 436 | N | 68.7 | Low | 69.8 | Low | 129 Ų | 129 | 55.8 Ų | 55.8 | 69% | 0.69 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 43.9 | 176.1 | -61.7 | -38.7 | 0 | 0 | 0 | 114.4 | G438 | N436-G438 PolarHBondContact O-N 2.79Å; N436-G438 VanDerWaalsContact O-N 3.13Å |
| 437 | N | 66.4 | Low | 66.9 | Low | 112 Ų | 112 | 61.9 Ų | 61.9 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 14.3 | -175.8 | -61.6 | 8.3 | 0 | 0 | 0 | 115.5 | E435 | E435-N437 VanDerWaalsContact C-N 3.27Å; E435-N437 PolarHBondContact O-N 2.8Å; E435-N437 VanDerWaalsContact O-N 3.13Å |
| 438 | G | 65 | Low | 64.1 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 153.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | F434 E435 N436 | F434-G438 WeakPolarHBondContact CA-O 3.24Å; F434-G438 WeakPolarHBondContact CD2-O 3.39Å; E435-G438 PolarHBondContact N-O 3.06Å; E435-G438 PolarHBondContact O-N 3.45Å; E435-G438 VanDerWaalsContact O-O 3.12Å; N436-G438 PolarHBondContact O-N 2.79Å; N436-G438 VanDerWaalsContact O-N 3.13Å |
| 439 | L | 72.5 | Confident | 61.6 | Low | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.7 | 168.7 | -167.8 | 74.9 | 0 | 0 | 0 | 109.2 | L425 F432 F434 L478 V494 L585 | L425-L439 HydrophobicContact CD2-CD1 4.11Å; L425-L439 HydrophobicContact CD2-CD2 4.24Å; F432-L439 HydrophobicContact CB-CD1 3.71Å; F432-L439 HydrophobicContact CB-CD2 3.97Å; F432-L439 HydrophobicContact CB-CG 3.76Å; F432-L439 HydrophobicContact CD1-CD2 4.11Å; F432-L439 HydrophobicContact CD1-CG 4.34Å; F432-L439 HydrophobicContact CG-CD2 4.14Å; F432-L439 HydrophobicContact CG-CG 4.36Å; F434-L439 HydrophobicContact CB-CD1 4.3Å; L439-L478 HydrophobicContact CB-CB 4.42Å; L439-L478 HydrophobicContact CD2-CD1 4.15Å; L439-L478 PolarHBondContact O-N 2.97Å; L439-V494 HydrophobicContact CD2-CG1 3.55Å; L439-V494 HydrophobicContact CD2-CG2 4.33Å; L439-L585 HydrophobicContact CB-CD2 4.18Å |
| 440 | F | 73.6 | Confident | 59.2 | Low | 44 Ų | 44 | 77.4 Ų | 77.4 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.5 | -178.3 | -57.7 | -90.3 | 0 | 0 | 0 | 109.7 | F432 H433 E435 Q477 | F432-F440 CarbonylContact C-O 3.6Å; F432-F440 WeakPolarHBondContact CA-O 3.37Å; H433-F440 PolarHBondContact N-O 2.89Å; H433-F440 PolarHBondContact O-N 2.94Å; E435-F440 HydrophobicContact CB-CD2 4.5Å; E435-F440 HydrophobicContact CB-CE2 4.24Å; E435-F440 WeakPolarHBondContact O-CE2 3.49Å; F440-Q477 HydrophobicContact CD1-CG 4.3Å; F440-Q477 HydrophobicContact CE1-CG 3.94Å |
| 441 | R | 70.1 | Confident | 56.8 | Low | 105 Ų | 105 | 79.9 Ų | 79.9 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 133.8 | 172 | -164.1 | -178.6 | -167.2 | -161.1 | 2.3 | 109.4 | M429 F432 T443 | M429-R441 PolarHBondContact O-NH2 2.97Å; F432-R441 HydrophobicContact CD1-CB 4.15Å; F432-R441 HydrophobicContact CD1-CG 4.31Å; F432-R441 HydrophobicContact CE1-CB 4.22Å; F432-R441 HydrophobicContact CE1-CG 4.1Å; R441-T443 PolarHBondContact O-N 3.32Å |
| 442 | Y | 65.4 | Low | 54 | Low | 77 Ų | 77 | 84.1 Ų | 84.1 | 30% | 0.302 | 46% | 0.462 | S | S | . | . | trans | -75.7 | 123.2 | 174.4 | -164.6 | -104.8 | 0 | 0 | 0 | 109.3 | V431 | V431-Y442 PolarHBondContact O-N 2.64Š| ||
| 443 | T | 53.6 | Low | 51.3 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | trans | -111.7 | 138.3 | 170.4 | 50.5 | 0 | 0 | 0 | 0 | 109 | R441 S445 | R441-T443 PolarHBondContact O-N 3.32Å; T443-S445 VanDerWaalsContact C-N 3.29Å; T443-S445 PolarHBondContact O-N 3.02Å | ||
| 444 | D | 41.9 | Very low | 49 | Very low | 148 Ų | 148 | 99.4 Ų | 99.4 | 79% | 0.791 | 53% | 0.528 | S | S | * | . | trans | -72.2 | 79.3 | -173.7 | -70.9 | -39.9 | 0 | 0 | 0 | 112.2 | ||||
| 445 | S | 29.8 | Very low | 46.6 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | trans | -108.3 | 109.5 | 165 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | T443 L447 | T443-S445 VanDerWaalsContact C-N 3.29Å; T443-S445 PolarHBondContact O-N 3.02Å; S445-L447 PolarHBondContact O-N 3.33Å | ||
| 446 | P | 27.5 | Very low | 44.4 | Very low | 110 Ų | 110 | 106 Ų | 106 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | trans | -81.2 | 59.8 | -171.5 | 33.1 | -36.6 | 0 | 0 | 0 | 112.5 | ||||
| 447 | L | 28.7 | Very low | 42.5 | Very low | 127 Ų | 127 | 106 Ų | 106 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -136.2 | 59.7 | -172.7 | -90.7 | 157.9 | 0 | 0 | 0 | 112.8 | S445 | S445-L447 PolarHBondContact O-N 3.33Š|
| 448 | S | 29.3 | Very low | 40.7 | Very low | 108 Ų | 108 | 110 Ų | 110 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -175.7 | -4.9 | 159.2 | 46.6 | 0 | 0 | 0 | 0 | 116.1 | Y450 | S448-Y450 VanDerWaalsContact C-N 3.33Å; S448-Y450 PolarHBondContact O-N 3.37Å |
| 449 | V | 30 | Very low | 38.8 | Very low | 92 Ų | 92 | 114.6 Ų | 114.6 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -78.6 | -6.5 | -164.9 | -178.4 | 0 | 0 | 0 | 0 | 115 | ||
| 450 | Y | 29.8 | Very low | 36.5 | Very low | 214 Ų | 214 | 120.7 Ų | 120.7 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -120.2 | 131.5 | 173.2 | -78.5 | -87.4 | 0 | 0 | 0 | 111.8 | S448 T452 | S448-Y450 VanDerWaalsContact C-N 3.33Å; S448-Y450 PolarHBondContact O-N 3.37Å; Y450-T452 PolarHBondContact O-N 3.05Å; Y450-T452 VanDerWaalsContact O-N 3.13Å |
| 451 | G | 31.2 | Very low | 34.3 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | trans | -71.2 | 103.4 | -159.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 452 | T | 26.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 121 Ų | 121 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -141.2 | 129.8 | 153.7 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | Y450 | Y450-T452 PolarHBondContact O-N 3.05Å; Y450-T452 VanDerWaalsContact O-N 3.13Å |
| 453 | D | 29.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 59 | 63.5 | 157.1 | -50.1 | -18.1 | 0 | 0 | 0 | 119.4 | E455 | D453-E455 PolarHBondContact O-N 3.11Š| ||
| 454 | R | 33.2 | Very low | 29.8 | Very low | 235 Ų | 235 | 132.1 Ų | 132.1 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -68.5 | -3.9 | 162.7 | -94.3 | -177.4 | 168.2 | 172.9 | -4.3 | 114.7 | ||
| 455 | E | 30.7 | Very low | 29.3 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -82.1 | -18.6 | -177.7 | -65.4 | -167.7 | 139.7 | 0 | 0 | 114.1 | D453 V457 | D453-E455 PolarHBondContact O-N 3.11Å; E455-V457 VanDerWaalsContact C-N 3.26Å; E455-V457 PolarHBondContact O-N 2.94Å |
| 456 | A | 28.8 | Very low | 29.6 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -71.5 | -12.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 457 | V | 30.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -102.6 | 4.4 | -174.1 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | E455 | E455-V457 VanDerWaalsContact C-N 3.26Å; E455-V457 PolarHBondContact O-N 2.94Å |
| 458 | R | 28 | Very low | 29.9 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -97.9 | 8.6 | -178.5 | -73.9 | -173.4 | 174.1 | -173 | -1.5 | 115.1 | E769 | R458-E769 IonicContact NH1-OE1 3.52Å; R458-E769 PolarHBondContact NH1-OE1 3.42Å | ||
| 459 | T | 24.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -77.5 | 141.4 | 166.1 | 41.7 | 0 | 0 | 0 | 0 | 110.2 | V461 | T459-V461 PolarHBondContact O-N 3.07Š|
| 460 | P | 24.8 | Very low | 30.3 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 70% | 0.703 | S | S | * | * | trans | -70 | 101.9 | 172.4 | 29 | -32.1 | 0 | 0 | 0 | 108.5 | S462 | P460-S462 PolarHBondContact O-N 2.69Š| ||
| 461 | V | 27.9 | Very low | 30.3 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | trans | -59.3 | 128.2 | 175.6 | 180 | 0 | 0 | 0 | 0 | 108.7 | T459 N465 | T459-V461 PolarHBondContact O-N 3.07Å; V461-N465 HydrophobicContact CG1-CB 4.17Å | ||
| 462 | S | 27.8 | Very low | 30.4 | Very low | 65 Ų | 65 | 141 Ų | 141 | 46% | 0.455 | 70% | 0.704 | S | S | . | * | trans | -61 | 137 | 175.8 | 37.9 | 0 | 0 | 0 | 0 | 110.3 | P460 E464 N465 | P460-S462 PolarHBondContact O-N 2.69Å; S462-E464 PolarHBondContact O-N 2.96Å; S462-N465 PolarHBondContact O-N 3.26Å | ||
| 463 | R | 32.1 | Very low | 30.6 | Very low | 218 Ų | 218 | 139.8 Ų | 139.8 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -52.5 | -27.6 | -175.6 | -80.4 | 179.3 | 166 | 172 | -6.5 | 114.5 | N465 Q466 | R463-N465 VanDerWaalsContact C-N 3.29Å; R463-N465 PolarHBondContact O-N 2.67Å; R463-Q466 PolarHBondContact O-N 3.4Å |
| 464 | E | 34.4 | Very low | 30.6 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -72.4 | -17.5 | -177.6 | -66.9 | 165.5 | 162.8 | 0 | 0 | 113.5 | S462 | S462-E464 PolarHBondContact O-N 2.96Š|
| 465 | N | 31.8 | Very low | 30.7 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 49% | 0.487 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -100.5 | 8.7 | 178.9 | -68.4 | 37.9 | 0 | 0 | 0 | 113.2 | V461 S462 R463 | V461-N465 HydrophobicContact CG1-CB 4.17Å; S462-N465 PolarHBondContact O-N 3.26Å; R463-N465 VanDerWaalsContact C-N 3.29Å; R463-N465 PolarHBondContact O-N 2.67Å |
| 466 | Q | 36 | Very low | 31 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 49% | 0.486 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -84.1 | -33.1 | 179.6 | -65.5 | -171.4 | -95.2 | 0 | 0 | 112.2 | R463 E468 L469 D470 | R463-Q466 PolarHBondContact O-N 3.4Å; Q466-E468 PolarHBondContact O-N 2.74Å; Q466-L469 PolarHBondContact O-N 2.92Å; Q466-D470 PolarHBondContact O-N 2.87Å |
| 467 | E | 32.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -32 | -174.1 | -62.7 | -179.5 | 168.1 | 0 | 0 | 113 | ||
| 468 | E | 29.8 | Very low | 32.8 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -11.9 | 176.5 | -65.6 | -174.1 | 154.5 | 0 | 0 | 114.2 | Q466 | Q466-E468 PolarHBondContact O-N 2.74Š|
| 469 | L | 32.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -19.7 | -179.8 | -104 | 154.9 | 0 | 0 | 0 | 113.2 | Q466 E471 | Q466-L469 PolarHBondContact O-N 2.92Å; L469-E471 VanDerWaalsContact C-N 3.32Å |
| 470 | D | 33.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -77 | -15.9 | 178.6 | -78 | -25.6 | 0 | 0 | 0 | 112.9 | Q466 | Q466-D470 PolarHBondContact O-N 2.87Š|
| 471 | E | 31.2 | Very low | 35.4 | Very low | 173 Ų | 173 | 115.1 Ų | 115.1 | 81% | 0.808 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -83.7 | -11.9 | -177 | -146.1 | 171.9 | -146 | 0 | 0 | 114.2 | L469 | L469-E471 VanDerWaalsContact C-N 3.32Š|
| 472 | F | 32.3 | Very low | 36.1 | Very low | 190 Ų | 190 | 114.6 Ų | 114.6 | 83% | 0.833 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -109.3 | 12.7 | -173.7 | -100.5 | -85.6 | 0 | 0 | 0 | 115.4 | ||
| 473 | S | 31.6 | Very low | 36.7 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | trans | -127.9 | 96.8 | -174.4 | -167.4 | 0 | 0 | 0 | 0 | 112.5 | A475 | S473-A475 PolarHBondContact O-N 3.32Å; S473-A475 VanDerWaalsContact OG-CB 3.29Å; S473-A475 WeakPolarHBondContact OG-CB 3.42Å | ||
| 474 | E | 28.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 112.3 Ų | 112.3 | 90% | 0.902 | 58% | 0.575 | S | S | * | * | trans | -69.4 | 30 | 164.8 | -69.6 | -164.1 | 135 | 0 | 0 | 113 | V476 | E474-V476 PolarHBondContact O-N 2.96Å; E474-V476 VanDerWaalsContact O-N 3.14Å | ||
| 475 | A | 35.1 | Very low | 37.2 | Very low | 29 Ų | 29 | 108.4 Ų | 108.4 | 24% | 0.24 | 57% | 0.566 | C | S | . | * | trans | -76.8 | 97.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S473 Q477 | S473-A475 PolarHBondContact O-N 3.32Å; S473-A475 VanDerWaalsContact OG-CB 3.29Å; S473-A475 WeakPolarHBondContact OG-CB 3.42Å; A475-Q477 PolarHBondContact O-N 3.3Å | ||
| 476 | V | 37.9 | Very low | 37.6 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | trans | -53.9 | 99.2 | 171.2 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | E474 L478 | E474-V476 PolarHBondContact O-N 2.96Å; E474-V476 VanDerWaalsContact O-N 3.14Å; V476-L478 HydrophobicContact CG1-CD2 4.03Å; V476-L478 HydrophobicContact CG1-CG 4.22Å; V476-L478 PolarHBondContact O-N 3.16Å | ||
| 477 | Q | 45.6 | Very low | 38.4 | Very low | 94 Ų | 94 | 113.1 Ų | 113.1 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | B | Isolated β-bridge | trans | -70.3 | 98.7 | 170.8 | -74.1 | -171.7 | 21.1 | 0 | 0 | 108 | F440 A475 R479 | F440-Q477 HydrophobicContact CD1-CG 4.3Å; F440-Q477 HydrophobicContact CE1-CG 3.94Å; A475-Q477 PolarHBondContact O-N 3.3Å; Q477-R479 HydrophobicContact CB-CB 4.4Å; Q477-R479 HydrophobicContact CB-CG 4.19Å; Q477-R479 PolarHBondContact O-N 2.89Å; Q477-R479 VanDerWaalsContact OE1-CD 3.29Å |
| 478 | L | 50.4 | Low | 39.9 | Very low | 21 Ų | 21 | 107 Ų | 107 | 11% | 0.11 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -73.6 | 36.4 | 167.5 | -65.9 | 173.8 | 0 | 0 | 0 | 111.3 | F432 L439 V476 T480 V491 | F432-L478 HydrophobicContact CD1-CD1 3.99Å; F432-L478 HydrophobicContact CE1-CD1 3.78Å; L439-L478 HydrophobicContact CB-CB 4.42Å; L439-L478 HydrophobicContact CD2-CD1 4.15Å; L439-L478 PolarHBondContact O-N 2.97Å; V476-L478 HydrophobicContact CG1-CD2 4.03Å; V476-L478 HydrophobicContact CG1-CG 4.22Å; V476-L478 PolarHBondContact O-N 3.16Å; L478-T480 PolarHBondContact O-N 2.89Å; L478-V491 HydrophobicContact CD2-CG2 3.73Å |
| 479 | R | 43 | Very low | 41.7 | Very low | 141 Ų | 141 | 102.2 Ų | 102.2 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -69.4 | -16.9 | 177 | -78.9 | -168 | 174.4 | 152.5 | -11.3 | 112.6 | Q477 | Q477-R479 HydrophobicContact CB-CB 4.4Å; Q477-R479 HydrophobicContact CB-CG 4.19Å; Q477-R479 PolarHBondContact O-N 2.89Å; Q477-R479 VanDerWaalsContact OE1-CD 3.29Å |
| 480 | T | 42.5 | Very low | 43.7 | Very low | 65 Ų | 65 | 97.6 Ų | 97.6 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -132.1 | 79.3 | 176 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | L478 T482 D483 | L478-T480 PolarHBondContact O-N 2.89Å; T480-T482 VanDerWaalsContact CB-OG1 3.24Å; T480-T482 WeakPolarHBondContact CB-OG1 3.21Å; T480-T482 VanDerWaalsContact CG2-OG1 3.27Å; T480-T482 WeakPolarHBondContact CG2-OG1 3.39Å; T480-T482 PolarHBondContact O-N 2.72Å; T480-D483 WeakPolarHBondContact CB-OD2 3.41Å; T480-D483 PolarHBondContact O-N 2.69Å; T480-D483 PolarHBondContact OG1-OD2 2.93Å |
| 481 | I | 47.4 | Very low | 45.6 | Very low | 33 Ų | 33 | 93.3 Ų | 93.3 | 17% | 0.169 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -7.2 | 152.1 | -55.6 | 179.7 | 0 | 0 | 0 | 110.3 | V491 Q603 | I481-V491 HydrophobicContact CG2-CG1 4.4Å; I481-Q603 HydrophobicContact CG2-CG 3.87Å |
| 482 | T | 42.2 | Very low | 47.7 | Very low | 80 Ų | 80 | 88.8 Ų | 88.8 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.9 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 116.1 | T480 | T480-T482 VanDerWaalsContact CB-OG1 3.24Å; T480-T482 WeakPolarHBondContact CB-OG1 3.21Å; T480-T482 VanDerWaalsContact CG2-OG1 3.27Å; T480-T482 WeakPolarHBondContact CG2-OG1 3.39Å; T480-T482 PolarHBondContact O-N 2.72Å |
| 483 | D | 40.7 | Very low | 50 | Low | 101 Ų | 101 | 79.8 Ų | 79.8 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | trans | -89.4 | 116 | -176.3 | -69.9 | -29.7 | 0 | 0 | 0 | 111.3 | T480 S485 | T480-D483 WeakPolarHBondContact CB-OD2 3.41Å; T480-D483 PolarHBondContact O-N 2.69Å; T480-D483 PolarHBondContact OG1-OD2 2.93Å; D483-S485 PolarHBondContact O-N 3.41Å | ||
| 484 | S | 40.4 | Very low | 52.4 | Low | 134 Ų | 134 | 76.2 Ų | 76.2 | 94% | 0.937 | 43% | 0.429 | S | S | * | . | trans | -75.4 | 27.7 | -164.8 | 51 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 485 | S | 36.5 | Very low | 55 | Low | 88 Ų | 88 | 68.8 Ų | 68.8 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | trans | -109.1 | 108.5 | -175.7 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | D483 | D483-S485 PolarHBondContact O-N 3.41Š| ||
| 486 | S | 41 | Very low | 57.4 | Low | 112 Ų | 112 | 67.7 Ų | 67.7 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | trans | 75.8 | 133.3 | 165.6 | 79.3 | 0 | 0 | 0 | 0 | 118.5 | S488 | S486-S488 PolarHBondContact O-N 2.76Š| ||
| 487 | Q | 52.2 | Low | 59.8 | Low | 182 Ų | 182 | 63.7 Ų | 63.7 | 85% | 0.85 | 36% | 0.36 | S | S | * | . | trans | -75 | 62.3 | -177.4 | -62.5 | 165.3 | -26.6 | 0 | 0 | 111.9 | ||||
| 488 | S | 63.8 | Low | 61.7 | Low | 37 Ų | 37 | 59.3 Ų | 59.3 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | trans | -66.4 | 128.5 | 179.3 | 79 | 0 | 0 | 0 | 0 | 110.5 | S486 T490 V491 N492 | S486-S488 PolarHBondContact O-N 2.76Å; S488-T490 PolarHBondContact O-N 3.06Å; S488-T490 VanDerWaalsContact O-N 3.16Å; S488-V491 PolarHBondContact O-N 3.37Å; S488-V491 WeakPolarHBondContact OG-CB 3.39Å; S488-V491 VanDerWaalsContact OG-CG2 3.23Å; S488-V491 WeakPolarHBondContact OG-CG2 3.27Å; S488-V491 PolarHBondContact OG-N 3.38Å; S488-N492 PolarHBondContact O-N 3.39Å | ||
| 489 | P | 67.9 | Low | 63.5 | Low | 66 Ų | 66 | 58.4 Ų | 58.4 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -26.8 | 178.1 | 22.9 | -32.2 | 0 | 0 | 0 | 111.7 | M429 S493 | M429-P489 HydrophobicContact CE-CB 4.04Å; M429-P489 HydrophobicContact CE-CG 3.72Å; M429-P489 HydrophobicContact SD-CB 4.02Å; M429-P489 HydrophobicContact SD-CG 4.34Å; P489-S493 WeakPolarHBondContact O-CB 3.33Å; P489-S493 PolarHBondContact O-N 3.44Å |
| 490 | T | 73.7 | Confident | 65.8 | Low | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.9 | -57.4 | 171.6 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | M429 F432 S488 N492 S493 V494 | M429-T490 HydrophobicContact CB-CG2 4.34Å; F432-T490 HydrophobicContact CE1-CG2 3.79Å; F432-T490 HydrophobicContact CZ-CG2 3.55Å; S488-T490 PolarHBondContact O-N 3.06Å; S488-T490 VanDerWaalsContact O-N 3.16Å; T490-N492 PolarHBondContact O-N 2.81Å; T490-S493 PolarHBondContact O-N 3.31Å; T490-S493 PolarHBondContact O-OG 3.47Å; T490-V494 PolarHBondContact O-N 3.07Å |
| 491 | V | 73.5 | Confident | 68 | Low | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | -179.5 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L478 I481 S488 S493 V494 Q495 | L478-V491 HydrophobicContact CD2-CG2 3.73Å; I481-V491 HydrophobicContact CG2-CG1 4.4Å; S488-V491 PolarHBondContact O-N 3.37Å; S488-V491 WeakPolarHBondContact OG-CB 3.39Å; S488-V491 VanDerWaalsContact OG-CG2 3.23Å; S488-V491 WeakPolarHBondContact OG-CG2 3.27Å; S488-V491 PolarHBondContact OG-N 3.38Å; V491-S493 VanDerWaalsContact C-N 3.33Å; V491-S493 PolarHBondContact O-N 2.89Å; V491-V494 PolarHBondContact O-N 3.48Å; V491-Q495 VanDerWaalsContact O-CB 3.32Å; V491-Q495 WeakPolarHBondContact O-CB 3.37Å; V491-Q495 PolarHBondContact O-N 3.42Å |
| 492 | N | 75.9 | Confident | 70.1 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 177 | -71.3 | -5.5 | 0 | 0 | 0 | 111.3 | S488 T490 V494 Q495 T496 | S488-N492 PolarHBondContact O-N 3.39Å; T490-N492 PolarHBondContact O-N 2.81Å; N492-V494 PolarHBondContact O-N 3.15Å; N492-Q495 PolarHBondContact O-N 3.36Å; N492-T496 WeakPolarHBondContact O-CB 2.86Å; N492-T496 PolarHBondContact O-N 2.77Å; N492-T496 PolarHBondContact O-OG1 2.87Å |
| 493 | S | 80.1 | Confident | 72.4 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 179.1 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | T427 M429 P489 T490 V491 L497 L688 | T427-S493 PolarHBondContact OG1-OG 2.7Å; M429-S493 WeakPolarHBondContact CG-OG 3.37Å; P489-S493 WeakPolarHBondContact O-CB 3.33Å; P489-S493 PolarHBondContact O-N 3.44Å; T490-S493 PolarHBondContact O-N 3.31Å; T490-S493 PolarHBondContact O-OG 3.47Å; V491-S493 VanDerWaalsContact C-N 3.33Å; V491-S493 PolarHBondContact O-N 2.89Å; S493-L497 PolarHBondContact O-N 2.63Å; S493-L688 VanDerWaalsContact CA-CD2 3.46Å |
| 494 | V | 82.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -45.9 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | L425 T427 F432 L439 T490 V491 N492 T496 L497 L498 | L425-V494 HydrophobicContact CD1-CG2 4.25Å; L425-V494 HydrophobicContact CD2-CG1 4.43Å; T427-V494 HydrophobicContact CG2-CG2 4.43Å; F432-V494 HydrophobicContact CD1-CG2 4.41Å; F432-V494 HydrophobicContact CD2-CG2 4.09Å; F432-V494 HydrophobicContact CE1-CG2 4.03Å; F432-V494 HydrophobicContact CE2-CG2 3.67Å; F432-V494 HydrophobicContact CG-CG2 4.44Å; F432-V494 HydrophobicContact CZ-CG2 3.63Å; L439-V494 HydrophobicContact CD2-CG1 3.55Å; L439-V494 HydrophobicContact CD2-CG2 4.33Å; T490-V494 PolarHBondContact O-N 3.07Å; V491-V494 PolarHBondContact O-N 3.48Å; N492-V494 PolarHBondContact O-N 3.15Å; V494-T496 PolarHBondContact O-N 2.85Å; V494-L497 PolarHBondContact O-N 3.1Å; V494-L498 HydrophobicContact CG1-CD1 3.91Å; V494-L498 HydrophobicContact CG1-CG 4.31Å; V494-L498 WeakPolarHBondContact O-CG 3.48Å; V494-L498 PolarHBondContact O-N 2.87Å |
| 495 | Q | 83 | Confident | 77.3 | Confident | 38 Ų | 38 | 33.1 Ų | 33.1 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 179 | -178.6 | 169.6 | -38.6 | 0 | 0 | 112.2 | V491 N492 L498 L499 I602 | V491-Q495 VanDerWaalsContact O-CB 3.32Å; V491-Q495 WeakPolarHBondContact O-CB 3.37Å; V491-Q495 PolarHBondContact O-N 3.42Å; N492-Q495 PolarHBondContact O-N 3.36Å; Q495-L498 PolarHBondContact O-N 3.01Å; Q495-L499 WeakPolarHBondContact O-CB 3.48Å; Q495-L499 PolarHBondContact O-N 2.93Å; Q495-I602 HydrophobicContact CG-CG2 4.06Å |
| 496 | T | 84.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | N492 V494 L500 L676 F680 | N492-T496 WeakPolarHBondContact O-CB 2.86Å; N492-T496 PolarHBondContact O-N 2.77Å; N492-T496 PolarHBondContact O-OG1 2.87Å; V494-T496 PolarHBondContact O-N 2.85Å; T496-L500 PolarHBondContact O-N 3.33Å; T496-L500 VanDerWaalsContact O-N 3.12Å; T496-L676 HydrophobicContact CG2-CD1 3.93Å; T496-L676 WeakPolarHBondContact O-CD1 3.45Å; T496-F680 HydrophobicContact CG2-CE2 3.39Å; T496-F680 HydrophobicContact CG2-CZ 3.49Å; T496-F680 VanDerWaalsContact CG2-CZ 3.49Å |
| 497 | L | 87.8 | Confident | 82 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 176.7 | -173.3 | 68.2 | 0 | 0 | 0 | 111.9 | L425 T427 S493 V494 L499 L500 L501 M712 I758 T761 | L425-L497 HydrophobicContact CB-CD2 3.94Å; L425-L497 HydrophobicContact CD1-CD2 4.03Å; L425-L497 HydrophobicContact CG-CD2 4.38Å; T427-L497 HydrophobicContact CG2-CB 4.47Å; T427-L497 HydrophobicContact CG2-CD2 4.1Å; S493-L497 PolarHBondContact O-N 2.63Å; V494-L497 PolarHBondContact O-N 3.1Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 3.5Å; L497-L500 PolarHBondContact O-N 2.77Å; L497-L501 HydrophobicContact CG-CD1 4.4Å; L497-L501 WeakPolarHBondContact O-CG 3.41Å; L497-L501 PolarHBondContact O-N 3.42Å; L497-M712 HydrophobicContact CD1-CB 3.85Å; L497-M712 HydrophobicContact CD1-CG 3.75Å; L497-I758 HydrophobicContact CB-CG2 4.44Å; L497-I758 HydrophobicContact CD1-CG2 4.08Å; L497-T761 HydrophobicContact CD2-CG2 4.35Å |
| 498 | L | 87.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 176.9 | -68.5 | 173.8 | 0 | 0 | 0 | 112.2 | V494 Q495 L501 S502 C582 L585 V587 | V494-L498 HydrophobicContact CG1-CD1 3.91Å; V494-L498 HydrophobicContact CG1-CG 4.31Å; V494-L498 WeakPolarHBondContact O-CG 3.48Å; V494-L498 PolarHBondContact O-N 2.87Å; Q495-L498 PolarHBondContact O-N 3.01Å; L498-L501 HydrophobicContact CD2-CD1 4.47Å; L498-L501 PolarHBondContact O-N 3.5Å; L498-S502 WeakPolarHBondContact O-CB 3.33Å; L498-S502 PolarHBondContact O-N 2.95Å; L498-C582 PolarHBondContact O-SG 2.89Å; L498-L585 HydrophobicContact CD1-CB 4.05Å; L498-L585 HydrophobicContact CD1-CD1 3.94Å; L498-L585 HydrophobicContact CD2-CD1 3.72Å; L498-V587 HydrophobicContact CB-CG2 4.02Å; L498-V587 HydrophobicContact CD1-CG2 4.46Å |
| 499 | L | 88.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.1 | -178.3 | 56.9 | 0 | 0 | 0 | 111.6 | Q495 L497 L501 S502 L503 V600 I602 P675 L676 | Q495-L499 WeakPolarHBondContact O-CB 3.48Å; Q495-L499 PolarHBondContact O-N 2.93Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 3.5Å; L499-L501 PolarHBondContact O-N 2.93Å; L499-S502 PolarHBondContact O-N 3.05Å; L499-S502 PolarHBondContact O-OG 3.09Å; L499-L503 HydrophobicContact CD1-CD1 4.07Å; L499-L503 HydrophobicContact CD1-CG 4.49Å; L499-L503 HydrophobicContact CG-CD1 4.25Å; L499-L503 PolarHBondContact O-N 2.83Å; L499-V600 HydrophobicContact CD1-CB 4.44Å; L499-V600 HydrophobicContact CD1-CG1 3.85Å; L499-I602 HydrophobicContact CD1-CD1 3.72Å; L499-I602 HydrophobicContact CD1-CG1 4.03Å; L499-I602 HydrophobicContact CD2-CD1 3.72Å; L499-I602 HydrophobicContact CG-CD1 4.3Å; L499-P675 HydrophobicContact CD2-CB 4.29Å; L499-P675 HydrophobicContact CD2-CG 4.06Å; L499-L676 HydrophobicContact CB-CD1 3.95Å; L499-L676 HydrophobicContact CD2-CB 3.83Å; L499-L676 HydrophobicContact CD2-CD1 3.81Å; L499-L676 HydrophobicContact CD2-CG 4.42Å; L499-L676 HydrophobicContact CG-CD1 3.85Å |
| 500 | L | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.1 | -176.7 | 156.3 | 0 | 0 | 0 | 111.7 | T496 L497 S502 L503 C504 L648 L676 M712 I758 | T496-L500 PolarHBondContact O-N 3.33Å; T496-L500 VanDerWaalsContact O-N 3.12Å; L497-L500 PolarHBondContact O-N 2.77Å; L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 2.76Å; L500-L503 PolarHBondContact O-N 3.48Å; L500-C504 HydrophobicContact CD2-CB 4.15Å; L500-C504 WeakPolarHBondContact O-CB 3.19Å; L500-C504 PolarHBondContact O-N 2.93Å; L500-L648 HydrophobicContact CD1-CD2 4.31Å; L500-L648 HydrophobicContact CG-CB 4.4Å; L500-L648 HydrophobicContact CG-CD2 4.33Å; L500-L676 HydrophobicContact CB-CD1 4.35Å; L500-M712 HydrophobicContact CD1-CB 4.4Å; L500-M712 HydrophobicContact CD2-CB 4.01Å; L500-M712 HydrophobicContact CD2-CG 4.03Å; L500-M712 HydrophobicContact CD2-SD 3.61Å; L500-I758 HydrophobicContact CD1-CD1 3.42Å; L500-I758 VanDerWaalsContact CD1-CD1 3.42Å |
| 501 | L | 89.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 177 | -71.2 | 170.3 | 0 | 0 | 0 | 112.3 | F422 L497 L498 L499 L503 F578 M712 T761 | F422-L501 HydrophobicContact CE2-CD1 4.15Å; L497-L501 HydrophobicContact CG-CD1 4.4Å; L497-L501 WeakPolarHBondContact O-CG 3.41Å; L497-L501 PolarHBondContact O-N 3.42Å; L498-L501 HydrophobicContact CD2-CD1 4.47Å; L498-L501 PolarHBondContact O-N 3.5Å; L499-L501 PolarHBondContact O-N 2.93Å; L501-L503 PolarHBondContact O-N 3.07Å; L501-F578 HydrophobicContact CD1-CD1 4.22Å; L501-F578 HydrophobicContact CD2-CD1 3.77Å; L501-F578 HydrophobicContact CD2-CD2 4.31Å; L501-F578 HydrophobicContact CD2-CE1 3.8Å; L501-F578 HydrophobicContact CD2-CE2 4.33Å; L501-F578 HydrophobicContact CD2-CG 4.03Å; L501-F578 HydrophobicContact CD2-CZ 4.06Å; L501-M712 HydrophobicContact CD2-CE 3.58Å; L501-M712 HydrophobicContact CD2-CG 4.47Å; L501-M712 HydrophobicContact CD2-SD 3.93Å; L501-T761 HydrophobicContact CD1-CG2 3.93Å; L501-T761 HydrophobicContact CD2-CG2 4.21Å |
| 502 | S | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -4.9 | 178.1 | 77 | 0 | 0 | 0 | 0 | 115.5 | L498 L499 L500 H505 Y589 | L498-S502 WeakPolarHBondContact O-CB 3.33Å; L498-S502 PolarHBondContact O-N 2.95Å; L499-S502 PolarHBondContact O-N 3.05Å; L499-S502 PolarHBondContact O-OG 3.09Å; L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 2.76Å; S502-H505 PolarHBondContact O-NE2 3.41Å; S502-H505 VanDerWaalsContact O-NE2 3.15Å; S502-Y589 WeakPolarHBondContact O-CD2 3.34Å |
| 503 | L | 91.7 | Very high | 84.3 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -33.8 | 179.7 | -70.8 | 171.2 | 0 | 0 | 0 | 112.7 | L499 L500 L501 H505 V600 Y609 L648 | L499-L503 HydrophobicContact CD1-CD1 4.07Å; L499-L503 HydrophobicContact CD1-CG 4.49Å; L499-L503 HydrophobicContact CG-CD1 4.25Å; L499-L503 PolarHBondContact O-N 2.83Å; L500-L503 PolarHBondContact O-N 3.48Å; L501-L503 PolarHBondContact O-N 3.07Å; L503-H505 PolarHBondContact O-N 3.49Å; L503-H505 VanDerWaalsContact O-N 3.08Å; L503-V600 HydrophobicContact CD2-CG2 3.62Å; L503-V600 HydrophobicContact CG-CG2 4.25Å; L503-Y609 HydrophobicContact CD1-CD2 3.92Å; L503-Y609 HydrophobicContact CD1-CE1 4.37Å; L503-Y609 HydrophobicContact CD1-CE2 3.73Å; L503-Y609 HydrophobicContact CD1-CG 4.32Å; L503-Y609 HydrophobicContact CD2-CD2 3.79Å; L503-Y609 HydrophobicContact CD2-CE2 4.33Å; L503-Y609 HydrophobicContact CD2-CG 4.24Å; L503-L648 HydrophobicContact CB-CD1 3.53Å; L503-L648 HydrophobicContact CD1-CD1 4.2Å |
| 504 | C | 91.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -86.2 | 66.3 | -175.3 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | L500 L648 K650 | L500-C504 HydrophobicContact CD2-CB 4.15Å; L500-C504 WeakPolarHBondContact O-CB 3.19Å; L500-C504 PolarHBondContact O-N 2.93Å; C504-L648 HydrophobicContact CB-CB 3.95Å; C504-L648 HydrophobicContact CB-CD1 4.39Å; C504-L648 PolarHBondContact SG-O 3.3Å; C504-K650 VanDerWaalsContact O-CD 3.32Å; C504-K650 WeakPolarHBondContact O-CD 3.45Å; C504-K650 WeakPolarHBondContact O-CE 3.38Å; C504-K650 PolarHBondContact O-NZ 3.23Å |
| 505 | H | 91.3 | Very high | 81.9 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -158 | 175.2 | -179.4 | 64.9 | 48.8 | 0 | 0 | 0 | 114.2 | S502 L503 V507 E575 V579 Y589 | S502-H505 PolarHBondContact O-NE2 3.41Å; S502-H505 VanDerWaalsContact O-NE2 3.15Å; L503-H505 PolarHBondContact O-N 3.49Å; L503-H505 VanDerWaalsContact O-N 3.08Å; H505-V507 HydrophobicContact CB-CG2 4.11Å; H505-V507 PolarHBondContact ND1-N 3.05Å; H505-E575 HydrophobicContact CB-CB 4.4Å; H505-E575 HydrophobicContact CB-CG 4.38Å; H505-V579 WeakPolarHBondContact CD2-CG2 3.3Å; H505-V579 VanDerWaalsContact NE2-CG2 3.32Å; H505-V579 WeakPolarHBondContact NE2-CG2 3.26Å; H505-Y589 AromaticContact CE1-CD1 3.73Å; H505-Y589 AromaticContact CE1-CE1 3.44Å; H505-Y589 VanDerWaalsContact CE1-CE1 3.44Å; H505-Y589 WeakPolarHBondContact CE1-CE1 3.34Å; H505-Y589 AromaticContact CE1-CE2 3.88Å; H505-Y589 AromaticContact CE1-CZ 3.52Å; H505-Y589 AromaticContact NE2-CD1 3.81Å; H505-Y589 AromaticContact NE2-CG 3.81Å |
| 506 | T | 87.8 | Confident | 80.5 | Confident | 48 Ų | 48 | 35 Ų | 35 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | trans | -110.4 | 10.3 | 176 | 53.9 | 0 | 0 | 0 | 0 | 115.1 | R508 E575 V614 M624 | T506-R508 PolarHBondContact O-N 2.77Å; T506-E575 PolarHBondContact N-OE2 2.83Å; T506-E575 PolarHBondContact OG1-OE2 3.28Å; T506-V614 HydrophobicContact CG2-CG1 4.21Å; T506-M624 HydrophobicContact CG2-CE 3.52Å; T506-M624 HydrophobicContact CG2-SD 4.4Å | ||
| 507 | V | 87.8 | Confident | 79 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | trans | -57.5 | 124.9 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | H505 Y568 A570 E575 V579 | H505-V507 HydrophobicContact CB-CG2 4.11Å; H505-V507 PolarHBondContact ND1-N 3.05Å; V507-Y568 HydrophobicContact CG1-CD1 3.84Å; V507-Y568 HydrophobicContact CG1-CG 4.19Å; V507-A570 HydrophobicContact CG2-CB 3.95Å; V507-E575 HydrophobicContact CG2-CB 3.82Å; V507-V579 HydrophobicContact CB-CG2 4.35Å; V507-V579 HydrophobicContact CG2-CG2 3.81Å | ||
| 508 | R | 83.5 | Confident | 77.4 | Confident | 102 Ų | 102 | 42.2 Ų | 42.2 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 143.8 | 168.2 | -64.9 | -176.9 | 179.9 | 179.8 | 2 | 109.6 | E177 T506 Q569 | E177-R508 IonicContact OE1-CZ 2.85Å; E177-R508 IonicContact OE1-NH1 3.25Å; E177-R508 PolarHBondContact OE1-NH1 3.44Å; E177-R508 IonicContact OE1-NH2 2.88Å; E177-R508 PolarHBondContact OE1-NH2 3.29Å; T506-R508 PolarHBondContact O-N 2.77Å; R508-Q569 HydrophobicContact CB-CB 4.44Å; R508-Q569 PolarHBondContact N-O 2.64Å; R508-Q569 PolarHBondContact O-N 2.79Å |
| 509 | V | 85.6 | Confident | 75.9 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 9% | 0.085 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.6 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | A544 Y566 Y568 Y589 | V509-A544 HydrophobicContact CG1-CB 4.21Å; V509-Y566 HydrophobicContact CG1-CD1 3.27Å; V509-Y566 HydrophobicContact CG1-CE1 3.89Å; V509-Y566 HydrophobicContact CG1-CG 3.81Å; V509-Y568 HydrophobicContact CG1-CE1 4.35Å; V509-Y568 HydrophobicContact CG2-CD1 3.99Å; V509-Y568 HydrophobicContact CG2-CE1 3.85Å; V509-Y589 HydrophobicContact CG2-CD1 3.68Å; V509-Y589 HydrophobicContact CG2-CE1 3.51Å |
| 510 | E | 78.6 | Confident | 74.2 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 154.2 | 165.6 | -66.1 | -157.1 | 153.3 | 0 | 0 | 110.6 | R540 R541 E567 Q569 | E510-R540 HydrophobicContact CB-CB 4.4Å; E510-R540 IonicContact OE1-NH2 3.6Å; E510-R540 IonicContact OE2-CZ 2.66Å; E510-R540 VanDerWaalsContact OE2-CZ 3.25Å; E510-R540 IonicContact OE2-NE 3.62Å; E510-R540 PolarHBondContact OE2-NE 2.92Å; E510-R540 IonicContact OE2-NH2 3.61Å; E510-R540 PolarHBondContact OE2-NH2 3.08Å; E510-R541 HydrophobicContact CG-CG 4.33Å; E510-E567 PolarHBondContact N-O 2.82Å; E510-E567 PolarHBondContact O-N 3.09Å; E510-Q569 PolarHBondContact OE2-NE2 3.16Å; E510-Q569 VanDerWaalsContact OE2-NE2 3.1Å |
| 511 | R | 76.9 | Confident | 72.5 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | trans | -134.5 | 124.5 | 172.3 | -175.3 | -175.4 | 169.5 | 176.5 | 6 | 108.8 | V513 R540 A544 Y566 | R511-V513 PolarHBondContact O-N 2.97Å; R511-R540 PolarHBondContact N-O 2.85Å; R511-A544 HydrophobicContact CB-CB 4.06Å; R511-Y566 HydrophobicContact CB-CD1 4.48Å | ||
| 512 | N | 68.7 | Low | 70.8 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 130.3 | 170.6 | -76.3 | -40.4 | 0 | 0 | 0 | 109.7 | P514 | N512-P514 WeakPolarHBondContact O-CD 3.42Š|
| 513 | V | 62.3 | Low | 69 | Low | 30 Ų | 30 | 64.7 Ų | 64.7 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 123.7 | -178.7 | -171 | 0 | 0 | 0 | 0 | 107.6 | R511 M515 F518 M539 R540 | R511-V513 PolarHBondContact O-N 2.97Å; V513-M515 PolarHBondContact O-N 3.32Å; V513-F518 HydrophobicContact CB-CE2 3.76Å; V513-F518 HydrophobicContact CB-CZ 3.83Å; V513-F518 HydrophobicContact CG1-CD2 4.33Å; V513-F518 HydrophobicContact CG1-CE1 4.48Å; V513-F518 HydrophobicContact CG1-CE2 3.45Å; V513-F518 VanDerWaalsContact CG1-CE2 3.45Å; V513-F518 HydrophobicContact CG1-CZ 3.55Å; V513-F518 HydrophobicContact CG2-CZ 4.29Å; V513-M539 HydrophobicContact CG1-CE 4.38Å; V513-M539 HydrophobicContact CG2-CG 4.06Å; V513-M539 HydrophobicContact CG2-SD 4.28Å; V513-R540 HydrophobicContact CG2-CG 4.48Å |
| 514 | P | 58.9 | Low | 66.9 | Low | 39 Ų | 39 | 69.7 Ų | 69.7 | 25% | 0.253 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 128.1 | 174.9 | -20 | 31.7 | 0 | 0 | 0 | 109.3 | N512 D516 L517 | N512-P514 WeakPolarHBondContact O-CD 3.42Å; P514-D516 PolarHBondContact O-N 3.41Å; P514-D516 VanDerWaalsContact O-N 3.08Å; P514-L517 HydrophobicContact CB-CD1 4.21Å; P514-L517 HydrophobicContact CG-CD1 4.02Å; P514-L517 PolarHBondContact O-N 2.89Å; P514-L517 VanDerWaalsContact O-N 3.12Å |
| 515 | M | 53.5 | Low | 64.9 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -57 | -28.8 | -176.1 | -73.2 | -68.3 | -74.6 | 0 | 0 | 112.6 | V513 L517 F518 L523 | V513-M515 PolarHBondContact O-N 3.32Å; M515-L517 PolarHBondContact O-N 3.26Å; M515-L517 VanDerWaalsContact O-N 3.12Å; M515-F518 PolarHBondContact O-N 2.93Å; M515-L523 HydrophobicContact CE-CD1 3.78Å; M515-L523 HydrophobicContact CE-CD2 4.12Å; M515-L523 HydrophobicContact CE-CG 4.11Å |
| 516 | D | 54.9 | Low | 62.9 | Low | 160 Ų | 160 | 78.9 Ų | 78.9 | 86% | 0.856 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -64.2 | -12.8 | -179.3 | -46.1 | -32.4 | 0 | 0 | 0 | 114.5 | P514 | P514-D516 PolarHBondContact O-N 3.41Å; P514-D516 VanDerWaalsContact O-N 3.08Å |
| 517 | L | 53.3 | Low | 61 | Low | 124 Ų | 124 | 78.5 Ų | 78.5 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -90.5 | -8.3 | -179.9 | -93.2 | 142.5 | 0 | 0 | 0 | 114.4 | P514 M515 | P514-L517 HydrophobicContact CB-CD1 4.21Å; P514-L517 HydrophobicContact CG-CD1 4.02Å; P514-L517 PolarHBondContact O-N 2.89Å; P514-L517 VanDerWaalsContact O-N 3.12Å; M515-L517 PolarHBondContact O-N 3.26Å; M515-L517 VanDerWaalsContact O-N 3.12Å |
| 518 | F | 54.3 | Low | 59.3 | Low | 33 Ų | 33 | 84.8 Ų | 84.8 | 15% | 0.145 | 44% | 0.444 | C | S | . | . | trans | -94.2 | 135.2 | -176.6 | -70.5 | -76.3 | 0 | 0 | 0 | 112.6 | V513 M515 E522 L523 L526 M539 | V513-F518 HydrophobicContact CB-CE2 3.76Å; V513-F518 HydrophobicContact CB-CZ 3.83Å; V513-F518 HydrophobicContact CG1-CD2 4.33Å; V513-F518 HydrophobicContact CG1-CE1 4.48Å; V513-F518 HydrophobicContact CG1-CE2 3.45Å; V513-F518 VanDerWaalsContact CG1-CE2 3.45Å; V513-F518 HydrophobicContact CG1-CZ 3.55Å; V513-F518 HydrophobicContact CG2-CZ 4.29Å; M515-F518 PolarHBondContact O-N 2.93Å; F518-E522 HydrophobicContact CB-CB 4.38Å; F518-E522 HydrophobicContact CD1-CB 3.8Å; F518-L523 HydrophobicContact CB-CD1 3.43Å; F518-L523 VanDerWaalsContact CB-CD1 3.43Å; F518-L523 HydrophobicContact CD2-CD1 4.12Å; F518-L523 HydrophobicContact CG-CD1 3.98Å; F518-L526 HydrophobicContact CD1-CD1 3.84Å; F518-L526 HydrophobicContact CE1-CD1 3.36Å; F518-L526 HydrophobicContact CE2-CD1 4.14Å; F518-L526 HydrophobicContact CG-CD1 4.37Å; F518-L526 HydrophobicContact CZ-CD1 3.54Å; F518-M539 HydrophobicContact CD1-CE 4.23Å; F518-M539 HydrophobicContact CE1-CE 3.38Å; F518-M539 HydrophobicContact CE1-SD 3.58Å; F518-M539 VanDerWaalsContact CE1-SD 3.58Å; F518-M539 HydrophobicContact CZ-CE 3.84Å; F518-M539 HydrophobicContact CZ-SD 3.76Å | ||
| 519 | S | 55.3 | Low | 57.7 | Low | 50 Ų | 50 | 87.9 Ų | 87.9 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | trans | -67 | 153.9 | 162.3 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | T521 E522 L523 | S519-T521 PolarHBondContact O-N 3.49Å; S519-T521 VanDerWaalsContact O-N 3.16Å; S519-T521 PolarHBondContact OG-OG1 3.36Å; S519-T521 VanDerWaalsContact OG-OG1 3.11Å; S519-E522 WeakPolarHBondContact CB-OE2 3.32Å; S519-E522 PolarHBondContact N-OE2 3.12Å; S519-E522 PolarHBondContact O-N 2.95Å; S519-E522 VanDerWaalsContact OG-CD 3.26Å; S519-E522 VanDerWaalsContact OG-CG 3.32Å; S519-E522 WeakPolarHBondContact OG-CG 3.49Å; S519-E522 PolarHBondContact OG-N 3.24Å; S519-E522 PolarHBondContact OG-OE2 3.22Å; S519-L523 PolarHBondContact O-N 3.48Å | ||
| 520 | K | 52.8 | Low | 56.3 | Low | 177 Ų | 177 | 93.1 Ų | 93.1 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -51.6 | -41.4 | 178.4 | -119.1 | -178.1 | 179.1 | -177.4 | 0 | 112.5 | E522 L523 D524 | K520-E522 VanDerWaalsContact C-N 3.33Å; K520-E522 PolarHBondContact O-N 2.85Å; K520-L523 VanDerWaalsContact O-CB 3.31Å; K520-L523 WeakPolarHBondContact O-CB 3.43Å; K520-L523 PolarHBondContact O-N 3.48Å; K520-D524 VanDerWaalsContact O-CG 3.29Å; K520-D524 PolarHBondContact O-N 2.89Å |
| 521 | T | 54.4 | Low | 55.4 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -28.7 | 175.9 | 29.8 | 0 | 0 | 0 | 0 | 114.6 | S519 N525 | S519-T521 PolarHBondContact O-N 3.49Å; S519-T521 VanDerWaalsContact O-N 3.16Å; S519-T521 PolarHBondContact OG-OG1 3.36Å; S519-T521 VanDerWaalsContact OG-OG1 3.11Å; T521-N525 PolarHBondContact O-N 3.39Å; T521-N525 PolarHBondContact O-ND2 2.99Å |
| 522 | E | 54.4 | Low | 54.8 | Low | 87 Ų | 87 | 92.2 Ų | 92.2 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -80 | -36.4 | 172.5 | -68.8 | 161.5 | 132.7 | 0 | 0 | 111 | F518 S519 K520 D524 N525 L526 | F518-E522 HydrophobicContact CB-CB 4.38Å; F518-E522 HydrophobicContact CD1-CB 3.8Å; S519-E522 WeakPolarHBondContact CB-OE2 3.32Å; S519-E522 PolarHBondContact N-OE2 3.12Å; S519-E522 PolarHBondContact O-N 2.95Å; S519-E522 VanDerWaalsContact OG-CD 3.26Å; S519-E522 VanDerWaalsContact OG-CG 3.32Å; S519-E522 WeakPolarHBondContact OG-CG 3.49Å; S519-E522 PolarHBondContact OG-N 3.24Å; S519-E522 PolarHBondContact OG-OE2 3.22Å; K520-E522 VanDerWaalsContact C-N 3.33Å; K520-E522 PolarHBondContact O-N 2.85Å; E522-D524 PolarHBondContact O-N 3.06Å; E522-N525 CarbonylContact O-C 3.56Å; E522-N525 PolarHBondContact O-N 3.27Å; E522-N525 VanDerWaalsContact O-N 3.11Å; E522-L526 PolarHBondContact O-N 2.98Å |
| 523 | L | 50.8 | Low | 54.5 | Low | 69 Ų | 69 | 96.4 Ų | 96.4 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 170.7 | -124.4 | 77.9 | 0 | 0 | 0 | 111.8 | M515 F518 S519 K520 N525 L526 G527 | M515-L523 HydrophobicContact CE-CD1 3.78Å; M515-L523 HydrophobicContact CE-CD2 4.12Å; M515-L523 HydrophobicContact CE-CG 4.11Å; F518-L523 HydrophobicContact CB-CD1 3.43Å; F518-L523 VanDerWaalsContact CB-CD1 3.43Å; F518-L523 HydrophobicContact CD2-CD1 4.12Å; F518-L523 HydrophobicContact CG-CD1 3.98Å; S519-L523 PolarHBondContact O-N 3.48Å; K520-L523 VanDerWaalsContact O-CB 3.31Å; K520-L523 WeakPolarHBondContact O-CB 3.43Å; K520-L523 PolarHBondContact O-N 3.48Å; L523-N525 PolarHBondContact O-N 3.03Å; L523-L526 PolarHBondContact O-N 3.19Å; L523-G527 PolarHBondContact O-N 3Å |
| 524 | D | 48.8 | Very low | 54.6 | Low | 109 Ų | 109 | 98.5 Ų | 98.5 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.8 | 177.2 | -66.8 | -27.1 | 0 | 0 | 0 | 113.4 | K520 E522 K530 | K520-D524 VanDerWaalsContact O-CG 3.29Å; K520-D524 PolarHBondContact O-N 2.89Å; E522-D524 PolarHBondContact O-N 3.06Å; D524-K530 PolarHBondContact O-NZ 2.76Å |
| 525 | N | 48.5 | Very low | 54.7 | Low | 114 Ų | 114 | 98.2 Ų | 98.2 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -15.4 | 172.2 | -75.4 | -34.8 | 0 | 0 | 0 | 113.2 | T521 E522 L523 | T521-N525 PolarHBondContact O-N 3.39Å; T521-N525 PolarHBondContact O-ND2 2.99Å; E522-N525 CarbonylContact O-C 3.56Å; E522-N525 PolarHBondContact O-N 3.27Å; E522-N525 VanDerWaalsContact O-N 3.11Å; L523-N525 PolarHBondContact O-N 3.03Å |
| 526 | L | 50 | Low | 55.1 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -89.7 | -2.7 | 172.5 | -83.4 | 154.5 | 0 | 0 | 0 | 113.4 | F518 E522 L523 N528 | F518-L526 HydrophobicContact CD1-CD1 3.84Å; F518-L526 HydrophobicContact CE1-CD1 3.36Å; F518-L526 HydrophobicContact CE2-CD1 4.14Å; F518-L526 HydrophobicContact CG-CD1 4.37Å; F518-L526 HydrophobicContact CZ-CD1 3.54Å; E522-L526 PolarHBondContact O-N 2.98Å; L523-L526 PolarHBondContact O-N 3.19Å; L526-N528 PolarHBondContact O-N 3.09Å |
| 527 | G | 47.6 | Very low | 55.6 | Low | 39 Ų | 39 | 87.2 Ų | 87.2 | 40% | 0.402 | 46% | 0.46 | S | S | . | . | trans | -57.6 | 132 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L523 D529 K530 | L523-G527 PolarHBondContact O-N 3Å; G527-D529 PolarHBondContact O-N 2.86Å; G527-K530 PolarHBondContact O-N 2.92Å | ||
| 528 | N | 51.7 | Low | 56.2 | Low | 136 Ų | 136 | 83.8 Ų | 83.8 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.2 | -170 | -77 | -37.1 | 0 | 0 | 0 | 116.1 | L526 | L526-N528 PolarHBondContact O-N 3.09Š|
| 529 | D | 50.9 | Low | 57 | Low | 167 Ų | 167 | 85.8 Ų | 85.8 | 89% | 0.893 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.5 | -171.4 | -65.4 | -29.2 | 0 | 0 | 0 | 114.9 | G527 | G527-D529 PolarHBondContact O-N 2.86Š|
| 530 | K | 56.1 | Low | 57.9 | Low | 124 Ų | 124 | 85.7 Ų | 85.7 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -98.6 | 150.4 | 177 | -71.5 | 174.6 | -176.4 | 160.8 | 0 | 111.9 | D524 G527 | D524-K530 PolarHBondContact O-NZ 2.76Å; G527-K530 PolarHBondContact O-N 2.92Å |
| 531 | A | 59.7 | Low | 58.9 | Low | 34 Ų | 34 | 81 Ų | 81 | 28% | 0.281 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 130.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L140 P206 | L140-A531 HydrophobicContact CD1-CB 3.78Å; P206-A531 HydrophobicContact CG-CB 3.83Å |
| 532 | P | 63.6 | Low | 60 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 138 | -176 | 30.2 | -35.8 | 0 | 0 | 0 | 110.6 | L155 Y266 | L155-P532 HydrophobicContact CD1-CG 4.31Å; L155-P532 HydrophobicContact CD2-CG 4.12Å; Y266-P532 HydrophobicContact CD1-CB 3.62Å; Y266-P532 HydrophobicContact CD1-CG 3.77Å; Y266-P532 HydrophobicContact CD2-CG 4Å; Y266-P532 HydrophobicContact CE1-CB 3.69Å; Y266-P532 HydrophobicContact CE1-CG 4.06Å; Y266-P532 HydrophobicContact CE2-CG 4.27Å; Y266-P532 HydrophobicContact CG-CB 4.14Å; Y266-P532 HydrophobicContact CG-CG 3.74Å; Y266-P532 PolarHBondContact OH-O 3.42Å |
| 533 | R | 62.6 | Low | 61.2 | Low | 198 Ų | 198 | 75.1 Ų | 75.1 | 75% | 0.747 | 41% | 0.405 | S | S | * | . | trans | -108.1 | 155 | 175.6 | -67.6 | -176.8 | 174.6 | -173.4 | -3.2 | 110.4 | Y266 G535 | Y266-R533 VanDerWaalsContact OH-C 3.28Å; R533-G535 PolarHBondContact O-N 3.45Å | ||
| 534 | R | 64.9 | Low | 62.7 | Low | 73 Ų | 73 | 72 Ų | 72 | 28% | 0.275 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 99.3 | 172.6 | -72.4 | -177.3 | 162.1 | 157.2 | -3.3 | 110.3 | S170 S171 N201 D204 Y266 | S170-R534 PolarHBondContact OG-NH2 2.73Å; S171-R534 PolarHBondContact O-NE 2.92Å; S171-R534 PolarHBondContact O-NH2 3.27Å; N201-R534 PolarHBondContact O-NH1 2.61Å; N201-R534 PolarHBondContact O-NH2 2.73Å; N201-R534 PolarHBondContact OD1-NH2 2.78Å; D204-R534 HydrophobicContact CB-CG 4.18Å; Y266-R534 PolarHBondContact OH-N 2.88Å; Y266-R534 VanDerWaalsContact OH-N 3.14Å |
| 535 | G | 59.9 | Low | 64.4 | Low | 33 Ų | 33 | 67.8 Ų | 67.8 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -180 | -29.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | R533 A538 M539 | R533-G535 PolarHBondContact O-N 3.45Å; G535-A538 PolarHBondContact O-N 2.91Å; G535-M539 WeakPolarHBondContact O-CB 3.47Å; G535-M539 PolarHBondContact O-N 2.86Å |
| 536 | S | 63 | Low | 66.1 | Low | 44 Ų | 44 | 69.5 Ų | 69.5 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -53.7 | -175.7 | 40.3 | 0 | 0 | 0 | 0 | 114 | D265 A538 M539 R540 | D265-S536 VanDerWaalsContact OD2-CB 3.25Å; D265-S536 WeakPolarHBondContact OD2-CB 3.45Å; D265-S536 PolarHBondContact OD2-OG 2.79Å; S536-A538 VanDerWaalsContact C-N 3.3Å; S536-A538 PolarHBondContact O-N 3.33Å; S536-M539 PolarHBondContact O-N 2.91Å; S536-M539 VanDerWaalsContact O-N 3.15Å; S536-R540 PolarHBondContact O-N 3.33Å |
| 537 | S | 64.1 | Low | 67.6 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 175.3 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | E173 D265 M539 R540 R541 | E173-S537 PolarHBondContact OE1-OG 2.87Å; D265-S537 WeakPolarHBondContact OD2-CA 3.44Å; D265-S537 WeakPolarHBondContact OD2-CB 3.44Å; D265-S537 PolarHBondContact OD2-N 2.69Å; S537-M539 VanDerWaalsContact C-N 3.31Å; S537-M539 PolarHBondContact O-N 2.85Å; S537-R540 PolarHBondContact O-N 3.14Å; S537-R541 WeakPolarHBondContact O-CB 3.32Å; S537-R541 WeakPolarHBondContact O-CG 3.4Å; S537-R541 PolarHBondContact O-N 3.34Å; S537-R541 PolarHBondContact O-NE 3.41Å; S537-R541 PolarHBondContact OG-NH2 2.87Å |
| 538 | A | 67.3 | Low | 69.4 | Low | 52 Ų | 52 | 63.3 Ų | 63.3 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G535 S536 A542 | G535-A538 PolarHBondContact O-N 2.91Å; S536-A538 VanDerWaalsContact C-N 3.3Å; S536-A538 PolarHBondContact O-N 3.33Å; A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.36Å; A538-A542 PolarHBondContact O-N 2.78Å |
| 539 | M | 70.6 | Confident | 71 | Confident | 76 Ų | 76 | 57 Ų | 57 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 177 | -161.8 | -178.8 | -167.3 | 0 | 0 | 112.7 | V513 F518 G535 S536 S537 A542 S543 | V513-M539 HydrophobicContact CG1-CE 4.38Å; V513-M539 HydrophobicContact CG2-CG 4.06Å; V513-M539 HydrophobicContact CG2-SD 4.28Å; F518-M539 HydrophobicContact CD1-CE 4.23Å; F518-M539 HydrophobicContact CE1-CE 3.38Å; F518-M539 HydrophobicContact CE1-SD 3.58Å; F518-M539 VanDerWaalsContact CE1-SD 3.58Å; F518-M539 HydrophobicContact CZ-CE 3.84Å; F518-M539 HydrophobicContact CZ-SD 3.76Å; G535-M539 WeakPolarHBondContact O-CB 3.47Å; G535-M539 PolarHBondContact O-N 2.86Å; S536-M539 PolarHBondContact O-N 2.91Å; S536-M539 VanDerWaalsContact O-N 3.15Å; S537-M539 VanDerWaalsContact C-N 3.31Å; S537-M539 PolarHBondContact O-N 2.85Å; M539-A542 PolarHBondContact O-N 3.08Å; M539-S543 WeakPolarHBondContact O-CB 3.12Å; M539-S543 PolarHBondContact O-N 2.97Å |
| 540 | R | 73.9 | Confident | 72.6 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 18% | 0.177 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 173.4 | -67.6 | -163.2 | -56.6 | -91.7 | -5.7 | 112 | D265 E510 R511 V513 S536 S537 S543 A544 | D265-R540 IonicContact OD1-CZ 3.12Å; D265-R540 IonicContact OD1-NH1 2.68Å; D265-R540 PolarHBondContact OD1-NH1 2.94Å; D265-R540 VanDerWaalsContact OD1-NH1 3.09Å; D265-R540 IonicContact OD1-NH2 2.84Å; D265-R540 PolarHBondContact OD1-NH2 3.17Å; D265-R540 IonicContact OD2-NH1 2.69Å; D265-R540 IonicContact OD2-NH2 2.84Å; E510-R540 HydrophobicContact CB-CB 4.4Å; E510-R540 IonicContact OE1-NH2 3.6Å; E510-R540 IonicContact OE2-CZ 2.66Å; E510-R540 VanDerWaalsContact OE2-CZ 3.25Å; E510-R540 IonicContact OE2-NE 3.62Å; E510-R540 PolarHBondContact OE2-NE 2.92Å; E510-R540 IonicContact OE2-NH2 3.61Å; E510-R540 PolarHBondContact OE2-NH2 3.08Å; R511-R540 PolarHBondContact N-O 2.85Å; V513-R540 HydrophobicContact CG2-CG 4.48Å; S536-R540 PolarHBondContact O-N 3.33Å; S537-R540 PolarHBondContact O-N 3.14Å; R540-S543 WeakPolarHBondContact O-CB 3.32Å; R540-S543 PolarHBondContact O-N 2.71Å; R540-A544 PolarHBondContact O-N 3.22Å; R540-A544 VanDerWaalsContact O-N 3.1Å |
| 541 | R | 74.5 | Confident | 73.8 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 173.5 | -74.5 | -179.7 | -73.6 | -168.4 | -9.4 | 112.6 | E173 E510 S537 S543 A544 A545 | E173-R541 IonicContact OE1-CZ 2.85Å; E173-R541 IonicContact OE1-NH2 3.57Å; E173-R541 PolarHBondContact OE1-NH2 3.22Å; E173-R541 IonicContact OE2-CZ 2.7Å; E173-R541 VanDerWaalsContact OE2-CZ 3.23Å; E173-R541 IonicContact OE2-NH1 2.74Å; E173-R541 PolarHBondContact OE2-NH1 3.33Å; E173-R541 IonicContact OE2-NH2 2.74Å; E173-R541 PolarHBondContact OE2-NH2 3.31Å; E510-R541 HydrophobicContact CG-CG 4.33Å; S537-R541 WeakPolarHBondContact O-CB 3.32Å; S537-R541 WeakPolarHBondContact O-CG 3.4Å; S537-R541 PolarHBondContact O-N 3.34Å; S537-R541 PolarHBondContact O-NE 3.41Å; S537-R541 PolarHBondContact OG-NH2 2.87Å; R541-S543 VanDerWaalsContact C-N 3.3Å; R541-S543 PolarHBondContact O-N 3.36Å; R541-A544 PolarHBondContact O-N 2.74Å; R541-A545 PolarHBondContact O-N 2.97Å |
| 542 | A | 77.7 | Confident | 74.8 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A538 M539 R546 | A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.36Å; A538-A542 PolarHBondContact O-N 2.78Å; M539-A542 PolarHBondContact O-N 3.08Å; A542-R546 WeakPolarHBondContact O-CB 3.37Å; A542-R546 WeakPolarHBondContact O-CG 3.49Å; A542-R546 PolarHBondContact O-N 3.1Å |
| 543 | S | 79.8 | Confident | 75.8 | Confident | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 112 | M539 R540 R541 A547 | M539-S543 WeakPolarHBondContact O-CB 3.12Å; M539-S543 PolarHBondContact O-N 2.97Å; R540-S543 WeakPolarHBondContact O-CB 3.32Å; R540-S543 PolarHBondContact O-N 2.71Å; R541-S543 VanDerWaalsContact C-N 3.3Å; R541-S543 PolarHBondContact O-N 3.36Å; S543-A547 WeakPolarHBondContact O-CB 3.47Å; S543-A547 PolarHBondContact O-N 2.55Å |
| 544 | A | 81.7 | Confident | 76.7 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V509 R511 R540 R541 R546 A547 A548 | V509-A544 HydrophobicContact CG1-CB 4.21Å; R511-A544 HydrophobicContact CB-CB 4.06Å; R540-A544 PolarHBondContact O-N 3.22Å; R540-A544 VanDerWaalsContact O-N 3.1Å; R541-A544 PolarHBondContact O-N 2.74Å; A544-R546 PolarHBondContact O-N 3.48Å; A544-A547 WeakPolarHBondContact O-CA 3.46Å; A544-A547 VanDerWaalsContact O-CB 3.27Å; A544-A547 WeakPolarHBondContact O-CB 3.43Å; A544-A547 PolarHBondContact O-N 3Å; A544-A548 PolarHBondContact O-N 3.42Å |
| 545 | A | 83.3 | Confident | 77.3 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R541 A547 A548 S549 S592 | R541-A545 PolarHBondContact O-N 2.97Å; A545-A547 VanDerWaalsContact C-N 3.31Å; A545-A547 PolarHBondContact O-N 3.09Å; A545-A548 PolarHBondContact O-N 3.04Å; A545-S549 PolarHBondContact O-N 3.29Å; A545-S592 WeakPolarHBondContact CA-O 3.49Å; A545-S592 WeakPolarHBondContact CB-O 3.46Å |
| 546 | R | 84.5 | Confident | 78.1 | Confident | 150 Ų | 150 | 47.7 Ų | 47.7 | 57% | 0.566 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.7 | -40.9 | 170 | -79 | 173.7 | 178.6 | 178.3 | 3.3 | 111.8 | A542 A544 S549 V550 E594 | A542-R546 WeakPolarHBondContact O-CB 3.37Å; A542-R546 WeakPolarHBondContact O-CG 3.49Å; A542-R546 PolarHBondContact O-N 3.1Å; A544-R546 PolarHBondContact O-N 3.48Å; R546-S549 WeakPolarHBondContact O-CB 3.4Å; R546-S549 PolarHBondContact O-N 3.03Å; R546-V550 WeakPolarHBondContact O-CB 3.38Å; R546-V550 VanDerWaalsContact O-CG2 3.29Å; R546-V550 WeakPolarHBondContact O-CG2 3.24Å; R546-V550 PolarHBondContact O-N 3.41Å; R546-E594 WeakPolarHBondContact CG-OE1 3.28Å |
| 547 | A | 83.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S543 A544 A545 V550 A551 Y566 | S543-A547 WeakPolarHBondContact O-CB 3.47Å; S543-A547 PolarHBondContact O-N 2.55Å; A544-A547 WeakPolarHBondContact O-CA 3.46Å; A544-A547 VanDerWaalsContact O-CB 3.27Å; A544-A547 WeakPolarHBondContact O-CB 3.43Å; A544-A547 PolarHBondContact O-N 3Å; A545-A547 VanDerWaalsContact C-N 3.31Å; A545-A547 PolarHBondContact O-N 3.09Å; A547-V550 PolarHBondContact O-N 3.41Å; A547-A551 WeakPolarHBondContact O-CB 3.12Å; A547-A551 PolarHBondContact O-N 2.93Å; A547-Y566 HydrophobicContact CB-CE1 4.22Å; A547-Y566 WeakPolarHBondContact CB-OH 3.13Å |
| 548 | A | 84.4 | Confident | 79 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | A544 A545 V550 A551 F552 H590 D593 V599 | A544-A548 PolarHBondContact O-N 3.42Å; A545-A548 PolarHBondContact O-N 3.04Å; A548-V550 VanDerWaalsContact C-N 3.3Å; A548-V550 PolarHBondContact O-N 3.24Å; A548-A551 WeakPolarHBondContact O-CB 3.4Å; A548-A551 PolarHBondContact O-N 3.1Å; A548-F552 PolarHBondContact O-N 3.08Å; A548-H590 HydrophobicContact CB-CB 3.76Å; A548-D593 HydrophobicContact CB-CB 4.02Å; A548-V599 HydrophobicContact CB-CB 4.22Å; A548-V599 HydrophobicContact CB-CG2 4.26Å |
| 549 | S | 85.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.2 | -42.5 | 171.6 | -80.9 | 0 | 0 | 0 | 0 | 112.5 | A545 R546 R553 E594 | A545-S549 PolarHBondContact O-N 3.29Å; R546-S549 WeakPolarHBondContact O-CB 3.4Å; R546-S549 PolarHBondContact O-N 3.03Å; S549-R553 WeakPolarHBondContact O-CB 3.35Å; S549-R553 WeakPolarHBondContact O-CG 3.44Å; S549-R553 PolarHBondContact O-N 3.48Å; S549-E594 VanDerWaalsContact CB-OE2 3.3Å; S549-E594 WeakPolarHBondContact CB-OE2 3.42Å; S549-E594 WeakPolarHBondContact OG-CG 3.35Å; S549-E594 PolarHBondContact OG-N 2.9Å; S549-E594 PolarHBondContact OG-OE2 3.22Å |
| 550 | V | 84 | Confident | 78.7 | Confident | 73 Ų | 73 | 67 Ų | 67 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 179 | 168.9 | 0 | 0 | 0 | 0 | 112 | R546 A547 A548 S554 | R546-V550 WeakPolarHBondContact O-CB 3.38Å; R546-V550 VanDerWaalsContact O-CG2 3.29Å; R546-V550 WeakPolarHBondContact O-CG2 3.24Å; R546-V550 PolarHBondContact O-N 3.41Å; A547-V550 PolarHBondContact O-N 3.41Å; A548-V550 VanDerWaalsContact C-N 3.3Å; A548-V550 PolarHBondContact O-N 3.24Å; V550-S554 VanDerWaalsContact O-CB 3.28Å; V550-S554 WeakPolarHBondContact O-CB 3.5Å; V550-S554 PolarHBondContact O-N 3.32Å; V550-S554 PolarHBondContact O-OG 2.81Å |
| 551 | A | 81.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.5 | -52.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A547 A548 R553 S554 S555 V561 | A547-A551 WeakPolarHBondContact O-CB 3.12Å; A547-A551 PolarHBondContact O-N 2.93Å; A548-A551 WeakPolarHBondContact O-CB 3.4Å; A548-A551 PolarHBondContact O-N 3.1Å; A551-R553 PolarHBondContact O-N 3.17Å; A551-S554 WeakPolarHBondContact O-CB 3.31Å; A551-S554 PolarHBondContact O-N 2.9Å; A551-S554 VanDerWaalsContact O-N 3.11Å; A551-S555 PolarHBondContact O-N 3.45Å; A551-V561 HydrophobicContact CB-CG1 3.77Å; A551-V561 HydrophobicContact CB-CG2 3.98Å; A551-V561 WeakPolarHBondContact O-CG2 3.43Å |
| 552 | F | 81.8 | Confident | 77.5 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 178 | -171.7 | -100 | 0 | 0 | 0 | 112.9 | A548 S554 S555 R556 V599 A606 R608 N633 | A548-F552 PolarHBondContact O-N 3.08Å; F552-S554 PolarHBondContact O-N 3.36Å; F552-S555 PolarHBondContact O-N 2.89Å; F552-R556 WeakPolarHBondContact O-CB 2.93Å; F552-R556 PolarHBondContact O-N 3.33Å; F552-V599 HydrophobicContact CB-CG1 4.38Å; F552-A606 HydrophobicContact CB-CB 4.45Å; F552-A606 HydrophobicContact CD2-CB 4.15Å; F552-A606 WeakPolarHBondContact CE2-O 3.45Å; F552-R608 VanDerWaalsContact CD1-CZ 3.44Å; F552-R608 HydrophobicContact CD2-CG 3.8Å; F552-R608 VanDerWaalsContact CE1-NH1 3.3Å; F552-R608 HydrophobicContact CE2-CB 4.37Å; F552-R608 HydrophobicContact CE2-CG 3.75Å; F552-R608 HydrophobicContact CG-CG 4.36Å; F552-R608 HydrophobicContact CZ-CG 4.27Å; F552-N633 VanDerWaalsContact CE2-OD1 3.23Å; F552-N633 WeakPolarHBondContact CE2-OD1 3.05Å; F552-N633 VanDerWaalsContact CZ-OD1 3.29Å; F552-N633 WeakPolarHBondContact CZ-OD1 3.24Å |
| 553 | R | 83.2 | Confident | 76.7 | Confident | 140 Ų | 140 | 73.6 Ų | 73.6 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -27.5 | 175.6 | -71 | 173.8 | -164.5 | 156.2 | 15.3 | 113.2 | S549 A551 R557 E594 | S549-R553 WeakPolarHBondContact O-CB 3.35Å; S549-R553 WeakPolarHBondContact O-CG 3.44Å; S549-R553 PolarHBondContact O-N 3.48Å; A551-R553 PolarHBondContact O-N 3.17Å; R553-R557 WeakPolarHBondContact O-CD 3.39Å; R553-R557 WeakPolarHBondContact O-CG 3.43Å; R553-E594 IonicContact CZ-OE2 3.91Å; R553-E594 IonicContact NH2-OE2 2.95Å; R553-E594 PolarHBondContact NH2-OE2 3.29Å |
| 554 | S | 82 | Confident | 76 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -77.7 | -45.4 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | V550 A551 F552 R556 R557 G558 R559 | V550-S554 VanDerWaalsContact O-CB 3.28Å; V550-S554 WeakPolarHBondContact O-CB 3.5Å; V550-S554 PolarHBondContact O-N 3.32Å; V550-S554 PolarHBondContact O-OG 2.81Å; A551-S554 WeakPolarHBondContact O-CB 3.31Å; A551-S554 PolarHBondContact O-N 2.9Å; A551-S554 VanDerWaalsContact O-N 3.11Å; F552-S554 PolarHBondContact O-N 3.36Å; S554-R556 PolarHBondContact O-N 3.16Å; S554-R557 CarbonylContact O-C 3.58Å; S554-R557 WeakPolarHBondContact O-CA 3.42Å; S554-R557 WeakPolarHBondContact O-CB 3.23Å; S554-R557 PolarHBondContact O-N 3.37Å; S554-G558 PolarHBondContact O-N 2.91Å; S554-R559 CarbonylContact C-O 3.48Å; S554-R559 WeakPolarHBondContact O-CB 3.47Å; S554-R559 PolarHBondContact O-N 3.43Å |
| 555 | S | 78.2 | Confident | 75.3 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 173.5 | -176.2 | 0 | 0 | 0 | 0 | 112 | A551 F552 R557 G558 E605 A606 | A551-S555 PolarHBondContact O-N 3.45Å; F552-S555 PolarHBondContact O-N 2.89Å; S555-R557 PolarHBondContact O-N 3.33Å; S555-G558 PolarHBondContact O-N 2.97Å; S555-E605 VanDerWaalsContact OG-CA 3.31Å; S555-E605 WeakPolarHBondContact OG-CA 3.45Å; S555-A606 VanDerWaalsContact CB-N 3.33Å; S555-A606 PolarHBondContact OG-N 2.94Å |
| 556 | R | 75.2 | Confident | 75 | Confident | 178 Ų | 178 | 81.9 Ų | 81.9 | 67% | 0.672 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.4 | 175.4 | -170.2 | 172.9 | 177.5 | -176.2 | 2.3 | 113.5 | F552 S554 | F552-R556 WeakPolarHBondContact O-CB 2.93Å; F552-R556 PolarHBondContact O-N 3.33Å; S554-R556 PolarHBondContact O-N 3.16Å |
| 557 | R | 78.8 | Confident | 74.8 | Confident | 194 Ų | 194 | 78.9 Ų | 78.9 | 73% | 0.732 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 14.3 | 172.3 | -70 | 174 | 171.8 | -176.9 | -3.3 | 113 | R553 S554 S555 R559 | R553-R557 WeakPolarHBondContact O-CD 3.39Å; R553-R557 WeakPolarHBondContact O-CG 3.43Å; S554-R557 CarbonylContact O-C 3.58Å; S554-R557 WeakPolarHBondContact O-CA 3.42Å; S554-R557 WeakPolarHBondContact O-CB 3.23Å; S554-R557 PolarHBondContact O-N 3.37Å; S555-R557 PolarHBondContact O-N 3.33Å; R557-R559 VanDerWaalsContact C-N 3.26Å; R557-R559 PolarHBondContact O-N 2.9Å |
| 558 | G | 67.3 | Low | 74.9 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 76% | 0.763 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 18.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S554 S555 | S554-G558 PolarHBondContact O-N 2.91Å; S555-G558 PolarHBondContact O-N 2.97Å |
| 559 | R | 70.2 | Confident | 74.8 | Confident | 169 Ų | 169 | 79.8 Ų | 79.8 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 118.6 | -179.6 | -64.3 | -176.7 | 179.1 | -179.3 | -2.2 | 110.7 | S554 R557 V561 | S554-R559 CarbonylContact C-O 3.48Å; S554-R559 WeakPolarHBondContact O-CB 3.47Å; S554-R559 PolarHBondContact O-N 3.43Å; R557-R559 VanDerWaalsContact C-N 3.26Å; R557-R559 PolarHBondContact O-N 2.9Å; R559-V561 PolarHBondContact O-N 3.47Å |
| 560 | K | 61.5 | Low | 74.6 | Confident | 147 Ų | 147 | 80.4 Ų | 80.4 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 127.4 | 171.5 | -67.1 | -166.3 | 175.7 | -166.8 | 0 | 110.4 | ||
| 561 | V | 63.9 | Low | 74.1 | Confident | 28 Ų | 28 | 80 Ų | 80 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 127.5 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | A551 R559 T601 G604 | A551-V561 HydrophobicContact CB-CG1 3.77Å; A551-V561 HydrophobicContact CB-CG2 3.98Å; A551-V561 WeakPolarHBondContact O-CG2 3.43Å; R559-V561 PolarHBondContact O-N 3.47Å; V561-T601 HydrophobicContact CB-CG2 4.32Å; V561-G604 PolarHBondContact N-O 3.27Å |
| 562 | K | 61 | Low | 73.9 | Confident | 182 Ų | 182 | 81.3 Ų | 81.3 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 139.5 | 169.5 | -72.2 | -170.4 | 175.2 | -172.7 | 0 | 110.1 | Q564 | K562-Q564 PolarHBondContact O-N 2.83Š|
| 563 | T | 60.5 | Low | 73.8 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 133.3 | 166.2 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | V588 | T563-V588 HydrophobicContact CG2-CG2 3.98Š|
| 564 | Q | 64 | Low | 73.8 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | trans | -115.5 | 151.5 | 178 | -61.7 | -175.8 | 25 | 0 | 0 | 109.3 | K562 Y566 | K562-Q564 PolarHBondContact O-N 2.83Å; Q564-Y566 VanDerWaalsContact C-N 3.27Å; Q564-Y566 HydrophobicContact CB-CD2 4.28Å; Q564-Y566 HydrophobicContact CB-CE2 3.93Å; Q564-Y566 WeakPolarHBondContact O-CD2 3.34Å; Q564-Y566 PolarHBondContact O-N 2.88Å | ||
| 565 | D | 67.6 | Low | 74 | Confident | 161 Ų | 161 | 76.5 Ų | 76.5 | 86% | 0.861 | 38% | 0.383 | S | S | * | . | trans | -71.9 | 83.5 | 176.6 | -57.8 | -37.4 | 0 | 0 | 0 | 110.2 | ||||
| 566 | Y | 77.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 78.7 Ų | 78.7 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | trans | -86.2 | 136 | 171.4 | -72 | -61.9 | 0 | 0 | 0 | 110.9 | V509 R511 A547 Q564 V588 H590 | V509-Y566 HydrophobicContact CG1-CD1 3.27Å; V509-Y566 HydrophobicContact CG1-CE1 3.89Å; V509-Y566 HydrophobicContact CG1-CG 3.81Å; R511-Y566 HydrophobicContact CB-CD1 4.48Å; A547-Y566 HydrophobicContact CB-CE1 4.22Å; A547-Y566 WeakPolarHBondContact CB-OH 3.13Å; Q564-Y566 VanDerWaalsContact C-N 3.27Å; Q564-Y566 HydrophobicContact CB-CD2 4.28Å; Q564-Y566 HydrophobicContact CB-CE2 3.93Å; Q564-Y566 WeakPolarHBondContact O-CD2 3.34Å; Q564-Y566 PolarHBondContact O-N 2.88Å; Y566-V588 HydrophobicContact CD2-CG1 4.33Å; Y566-V588 HydrophobicContact CE2-CG1 4.23Å; Y566-H590 AromaticContact CE2-CE1 3.97Å; Y566-H590 AromaticContact CE2-ND1 3.38Å; Y566-H590 WeakPolarHBondContact CE2-ND1 3.25Å; Y566-H590 AromaticContact CZ-ND1 3.47Å; Y566-H590 PolarHBondContact OH-ND1 3.32Å | ||
| 567 | E | 80.5 | Confident | 75 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.4 | 168.6 | -169.8 | 177 | 165.8 | 0 | 0 | 109.2 | E510 | E510-E567 PolarHBondContact N-O 2.82Å; E510-E567 PolarHBondContact O-N 3.09Å |
| 568 | Y | 85.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118 | 176.1 | -65 | -60.4 | 0 | 0 | 0 | 110.7 | V507 V509 K576 V579 E580 R583 Y589 | V507-Y568 HydrophobicContact CG1-CD1 3.84Å; V507-Y568 HydrophobicContact CG1-CG 4.19Å; V509-Y568 HydrophobicContact CG1-CE1 4.35Å; V509-Y568 HydrophobicContact CG2-CD1 3.99Å; V509-Y568 HydrophobicContact CG2-CE1 3.85Å; Y568-K576 WeakPolarHBondContact O-CD 3.13Å; Y568-K576 WeakPolarHBondContact O-CE 3.38Å; Y568-K576 PolarHBondContact O-NZ 3.08Å; Y568-V579 HydrophobicContact CD1-CG1 3.68Å; Y568-V579 HydrophobicContact CD2-CG1 4.03Å; Y568-V579 HydrophobicContact CE1-CG1 3.51Å; Y568-V579 HydrophobicContact CE2-CG1 3.85Å; Y568-V579 HydrophobicContact CG-CG1 3.95Å; Y568-E580 HydrophobicContact CD2-CG 3.75Å; Y568-E580 HydrophobicContact CE2-CG 4.48Å; Y568-R583 HydrophobicContact CE2-CB 4.41Å; Y568-Y589 HydrophobicContact CE1-CD1 4.24Å; Y568-Y589 WeakPolarHBondContact CE1-O 3.21Å; Y568-Y589 PolarHBondContact OH-O 3.39Å |
| 569 | Q | 81.3 | Confident | 76.5 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.9 | 176.7 | -68.2 | 179.1 | 12.5 | 0 | 0 | 109.4 | R508 E510 | R508-Q569 HydrophobicContact CB-CB 4.44Å; R508-Q569 PolarHBondContact N-O 2.64Å; R508-Q569 PolarHBondContact O-N 2.79Å; E510-Q569 PolarHBondContact OE2-NE2 3.16Å; E510-Q569 VanDerWaalsContact OE2-NE2 3.1Å |
| 570 | A | 81.4 | Confident | 77.3 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | trans | -121.4 | 156.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V507 S572 E575 K576 | V507-A570 HydrophobicContact CG2-CB 3.95Å; A570-S572 VanDerWaalsContact C-N 3.35Å; A570-S572 VanDerWaalsContact CB-O 3.23Å; A570-S572 WeakPolarHBondContact CB-O 3.39Å; A570-E575 HydrophobicContact CB-CB 4.21Å; A570-K576 HydrophobicContact CB-CB 3.93Å | ||
| 571 | S | 73.7 | Confident | 78.5 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -71.8 | -30.6 | 169.1 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 572 | S | 77.1 | Confident | 79.6 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -127.5 | 143.3 | 178 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | A570 D574 E575 | A570-S572 VanDerWaalsContact C-N 3.35Å; A570-S572 VanDerWaalsContact CB-O 3.23Å; A570-S572 WeakPolarHBondContact CB-O 3.39Å; S572-D574 VanDerWaalsContact C-N 3.31Å; S572-D574 WeakPolarHBondContact CB-OD1 3.43Å; S572-D574 PolarHBondContact O-N 2.69Å; S572-D574 PolarHBondContact OG-OD1 2.88Å; S572-E575 PolarHBondContact O-N 2.79Å |
| 573 | P | 79.3 | Confident | 80.7 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.9 | -18.5 | -172.3 | 28.5 | -35.4 | 0 | 0 | 0 | 114.1 | M420 A577 | M420-P573 HydrophobicContact CB-CB 4.4Å; M420-P573 HydrophobicContact CG-CB 3.85Å; M420-P573 HydrophobicContact CG-CG 3.86Å; P573-A577 WeakPolarHBondContact O-CB 3.31Å; P573-A577 PolarHBondContact O-N 2.9Å |
| 574 | D | 83.3 | Confident | 81.7 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.3 | 47.6 | 8.8 | 0 | 0 | 0 | 112.4 | S572 K576 A577 F578 R708 I763 | S572-D574 VanDerWaalsContact C-N 3.31Å; S572-D574 WeakPolarHBondContact CB-OD1 3.43Å; S572-D574 PolarHBondContact O-N 2.69Å; S572-D574 PolarHBondContact OG-OD1 2.88Å; D574-K576 VanDerWaalsContact C-N 3.31Å; D574-K576 PolarHBondContact O-N 2.83Å; D574-A577 PolarHBondContact O-N 2.84Å; D574-F578 WeakPolarHBondContact O-CD2 3.43Å; D574-F578 WeakPolarHBondContact O-CG 3.32Å; D574-F578 PolarHBondContact O-N 3.4Å; D574-R708 IonicContact OD2-NH1 2.72Å; D574-I763 HydrophobicContact CB-CD1 3.7Å |
| 575 | E | 86.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 172.5 | -63.8 | -158.7 | 153.7 | 0 | 0 | 112.1 | H505 T506 V507 A570 S572 F578 V579 M624 K650 | H505-E575 HydrophobicContact CB-CB 4.4Å; H505-E575 HydrophobicContact CB-CG 4.38Å; T506-E575 PolarHBondContact N-OE2 2.83Å; T506-E575 PolarHBondContact OG1-OE2 3.28Å; V507-E575 HydrophobicContact CG2-CB 3.82Å; A570-E575 HydrophobicContact CB-CB 4.21Å; S572-E575 PolarHBondContact O-N 2.79Å; E575-F578 PolarHBondContact O-N 2.8Å; E575-V579 WeakPolarHBondContact O-CG2 3.38Å; E575-V579 PolarHBondContact O-N 2.86Å; E575-V579 VanDerWaalsContact O-N 3.13Å; E575-M624 WeakPolarHBondContact OE1-CE 3.47Å; E575-M624 VanDerWaalsContact OE1-SD 3.36Å; E575-K650 WeakPolarHBondContact OE1-CE 3.31Å; E575-K650 IonicContact OE1-NZ 2.69Å; E575-K650 PolarHBondContact OE1-NZ 3.35Å |
| 576 | K | 86.7 | Confident | 82.8 | Confident | 68 Ų | 68 | 30.2 Ų | 30.2 | 30% | 0.296 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61 | -49.6 | 175.7 | 178.9 | 168.6 | 179.2 | 155.3 | 0 | 111.3 | Y568 A570 D574 F578 V579 E580 | Y568-K576 WeakPolarHBondContact O-CD 3.13Å; Y568-K576 WeakPolarHBondContact O-CE 3.38Å; Y568-K576 PolarHBondContact O-NZ 3.08Å; A570-K576 HydrophobicContact CB-CB 3.93Å; D574-K576 VanDerWaalsContact C-N 3.31Å; D574-K576 PolarHBondContact O-N 2.83Å; K576-F578 VanDerWaalsContact C-N 3.3Å; K576-F578 PolarHBondContact O-N 2.84Å; K576-V579 PolarHBondContact O-N 2.85Å; K576-E580 WeakPolarHBondContact CE-OE1 3.48Å; K576-E580 WeakPolarHBondContact CE-OE2 3.29Å; K576-E580 HydrophobicContact CG-CG 4.3Å; K576-E580 WeakPolarHBondContact CG-OE2 3.49Å; K576-E580 IonicContact NZ-OE1 2.69Å; K576-E580 WeakPolarHBondContact O-CB 3.29Å; K576-E580 WeakPolarHBondContact O-CG 3.42Å; K576-E580 PolarHBondContact O-N 2.98Å |
| 577 | A | 87.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | M420 P573 D574 T581 | M420-A577 HydrophobicContact CB-CB 3.96Å; M420-A577 VanDerWaalsContact O-CB 3.32Å; M420-A577 WeakPolarHBondContact O-CB 3.25Å; P573-A577 WeakPolarHBondContact O-CB 3.31Å; P573-A577 PolarHBondContact O-N 2.9Å; D574-A577 PolarHBondContact O-N 2.84Å; A577-T581 WeakPolarHBondContact O-CB 3.41Å; A577-T581 PolarHBondContact O-N 3.12Å; A577-T581 PolarHBondContact O-OG1 3.12Å |
| 578 | F | 88.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -50.3 | 173.9 | -73.5 | -49.2 | 0 | 0 | 0 | 112.4 | F422 L501 D574 E575 K576 T581 C582 L710 M712 T761 I763 | F422-F578 AromaticContact CD2-CD1 3.69Å; F422-F578 HydrophobicContact CD2-CD1 3.69Å; F422-F578 AromaticContact CD2-CE1 3.77Å; F422-F578 HydrophobicContact CD2-CE1 3.77Å; F422-F578 AromaticContact CE2-CD1 3.93Å; F422-F578 HydrophobicContact CE2-CD1 3.93Å; F422-F578 AromaticContact CE2-CE1 3.86Å; F422-F578 HydrophobicContact CE2-CE1 3.86Å; L501-F578 HydrophobicContact CD1-CD1 4.22Å; L501-F578 HydrophobicContact CD2-CD1 3.77Å; L501-F578 HydrophobicContact CD2-CD2 4.31Å; L501-F578 HydrophobicContact CD2-CE1 3.8Å; L501-F578 HydrophobicContact CD2-CE2 4.33Å; L501-F578 HydrophobicContact CD2-CG 4.03Å; L501-F578 HydrophobicContact CD2-CZ 4.06Å; D574-F578 WeakPolarHBondContact O-CD2 3.43Å; D574-F578 WeakPolarHBondContact O-CG 3.32Å; D574-F578 PolarHBondContact O-N 3.4Å; E575-F578 PolarHBondContact O-N 2.8Å; K576-F578 VanDerWaalsContact C-N 3.3Å; K576-F578 PolarHBondContact O-N 2.84Å; F578-T581 PolarHBondContact O-N 3.32Å; F578-C582 WeakPolarHBondContact O-CB 3.34Å; F578-C582 PolarHBondContact O-N 3.22Å; F578-C582 PolarHBondContact O-SG 2.91Å; F578-L710 HydrophobicContact CE2-CD1 3.66Å; F578-L710 HydrophobicContact CZ-CD1 3.76Å; F578-M712 HydrophobicContact CZ-CE 4.18Å; F578-T761 HydrophobicContact CE1-CG2 4.03Å; F578-T761 WeakPolarHBondContact CE1-OG1 3.47Å; F578-T761 WeakPolarHBondContact CZ-OG1 3.3Å; F578-I763 HydrophobicContact CD1-CD1 4.22Å; F578-I763 HydrophobicContact CD2-CD1 4.25Å; F578-I763 HydrophobicContact CE1-CD1 3.64Å; F578-I763 HydrophobicContact CE1-CG1 3.92Å; F578-I763 HydrophobicContact CE2-CD1 3.69Å; F578-I763 HydrophobicContact CZ-CD1 3.36Å; F578-I763 HydrophobicContact CZ-CG1 4.05Å |
| 579 | V | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | -176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | H505 V507 Y568 E575 K576 C582 R583 Y589 | H505-V579 WeakPolarHBondContact CD2-CG2 3.3Å; H505-V579 VanDerWaalsContact NE2-CG2 3.32Å; H505-V579 WeakPolarHBondContact NE2-CG2 3.26Å; V507-V579 HydrophobicContact CB-CG2 4.35Å; V507-V579 HydrophobicContact CG2-CG2 3.81Å; Y568-V579 HydrophobicContact CD1-CG1 3.68Å; Y568-V579 HydrophobicContact CD2-CG1 4.03Å; Y568-V579 HydrophobicContact CE1-CG1 3.51Å; Y568-V579 HydrophobicContact CE2-CG1 3.85Å; Y568-V579 HydrophobicContact CG-CG1 3.95Å; E575-V579 WeakPolarHBondContact O-CG2 3.38Å; E575-V579 PolarHBondContact O-N 2.86Å; E575-V579 VanDerWaalsContact O-N 3.13Å; K576-V579 PolarHBondContact O-N 2.85Å; V579-C582 PolarHBondContact O-N 3.48Å; V579-R583 PolarHBondContact O-N 2.9Å; V579-Y589 HydrophobicContact CG1-CD1 4.48Å |
| 580 | E | 87.2 | Confident | 84 | Confident | 58 Ų | 58 | 26.2 Ų | 26.2 | 27% | 0.271 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.6 | -73.5 | 179.3 | 150.9 | 0 | 0 | 111.3 | Y568 K576 R583 D584 | Y568-E580 HydrophobicContact CD2-CG 3.75Å; Y568-E580 HydrophobicContact CE2-CG 4.48Å; K576-E580 WeakPolarHBondContact CE-OE1 3.48Å; K576-E580 WeakPolarHBondContact CE-OE2 3.29Å; K576-E580 HydrophobicContact CG-CG 4.3Å; K576-E580 WeakPolarHBondContact CG-OE2 3.49Å; K576-E580 IonicContact NZ-OE1 2.69Å; K576-E580 WeakPolarHBondContact O-CB 3.29Å; K576-E580 WeakPolarHBondContact O-CG 3.42Å; K576-E580 PolarHBondContact O-N 2.98Å; E580-R583 WeakPolarHBondContact O-CB 3.4Å; E580-R583 PolarHBondContact O-N 3.36Å; E580-D584 PolarHBondContact O-N 2.89Å |
| 581 | T | 85.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 25.7 Ų | 25.7 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 176.9 | -50 | 0 | 0 | 0 | 0 | 112.1 | F422 F434 A577 F578 D584 L585 | F422-T581 HydrophobicContact CB-CG2 3.88Å; F422-T581 VanDerWaalsContact CB-OG1 3.25Å; F422-T581 WeakPolarHBondContact CB-OG1 3.43Å; F422-T581 HydrophobicContact CD1-CG2 3.71Å; F422-T581 HydrophobicContact CE1-CG2 4.35Å; F422-T581 HydrophobicContact CG-CG2 3.92Å; F434-T581 HydrophobicContact CD1-CG2 4.29Å; F434-T581 HydrophobicContact CD2-CG2 4.23Å; F434-T581 HydrophobicContact CE1-CG2 4.13Å; F434-T581 HydrophobicContact CE2-CG2 4.06Å; F434-T581 HydrophobicContact CG-CG2 4.33Å; F434-T581 HydrophobicContact CZ-CG2 4Å; A577-T581 WeakPolarHBondContact O-CB 3.41Å; A577-T581 PolarHBondContact O-N 3.12Å; A577-T581 PolarHBondContact O-OG1 3.12Å; F578-T581 PolarHBondContact O-N 3.32Å; T581-D584 PolarHBondContact O-N 3.42Å; T581-L585 HydrophobicContact CG2-CD1 3.96Å; T581-L585 HydrophobicContact CG2-CG 4.43Å; T581-L585 WeakPolarHBondContact O-CB 3.31Å; T581-L585 WeakPolarHBondContact O-CG 3.4Å; T581-L585 PolarHBondContact O-N 3.22Å |
| 582 | C | 87 | Confident | 84.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.6 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | L498 F578 V579 D584 L585 G586 V587 | L498-C582 PolarHBondContact O-SG 2.89Å; F578-C582 WeakPolarHBondContact O-CB 3.34Å; F578-C582 PolarHBondContact O-N 3.22Å; F578-C582 PolarHBondContact O-SG 2.91Å; V579-C582 PolarHBondContact O-N 3.48Å; C582-D584 VanDerWaalsContact C-N 3.31Å; C582-D584 PolarHBondContact O-N 2.96Å; C582-L585 CarbonylContact O-C 3.6Å; C582-L585 PolarHBondContact O-N 3.39Å; C582-G586 PolarHBondContact O-N 3.42Å; C582-G586 VanDerWaalsContact O-N 3.15Å; C582-V587 CarbonylContact C-O 3.58Å; C582-V587 HydrophobicContact CB-CB 4.25Å; C582-V587 WeakPolarHBondContact CB-O 3.41Å; C582-V587 CarbonylContact O-C 3.47Å; C582-V587 WeakPolarHBondContact O-CA 3.43Å; C582-V587 PolarHBondContact O-N 3.46Å; C582-V587 VanDerWaalsContact O-O 3.08Å |
| 583 | R | 84.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 24.2 Ų | 24.2 | 20% | 0.204 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -47.2 | 174.1 | 177.4 | -158.3 | 64.4 | -154 | -6.5 | 110.8 | Y568 V579 E580 L585 G586 V587 V588 | Y568-R583 HydrophobicContact CE2-CB 4.41Å; V579-R583 PolarHBondContact O-N 2.9Å; E580-R583 WeakPolarHBondContact O-CB 3.4Å; E580-R583 PolarHBondContact O-N 3.36Å; R583-L585 VanDerWaalsContact C-N 3.28Å; R583-L585 PolarHBondContact O-N 3.42Å; R583-G586 PolarHBondContact O-N 2.92Å; R583-V587 PolarHBondContact N-O 3.22Å; R583-V588 HydrophobicContact CG-CG1 4.36Å; R583-V588 HydrophobicContact CG-CG2 4.13Å |
| 584 | D | 81.2 | Confident | 85.4 | Confident | 67 Ų | 67 | 26.8 Ų | 26.8 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70 | -26.1 | -175.9 | -64 | -10.1 | 0 | 0 | 0 | 112.3 | E580 T581 C582 | E580-D584 PolarHBondContact O-N 2.89Å; T581-D584 PolarHBondContact O-N 3.42Å; C582-D584 VanDerWaalsContact C-N 3.31Å; C582-D584 PolarHBondContact O-N 2.96Å |
| 585 | L | 78.2 | Confident | 85.4 | Confident | 20 Ų | 20 | 29 Ų | 29 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.8 | 170.1 | -67.5 | 172.8 | 0 | 0 | 0 | 114.2 | F434 L439 L498 T581 C582 R583 | F434-L585 HydrophobicContact CD2-CD1 4.3Å; F434-L585 HydrophobicContact CD2-CD2 4.04Å; F434-L585 HydrophobicContact CD2-CG 4.36Å; F434-L585 HydrophobicContact CE2-CD1 4.36Å; F434-L585 HydrophobicContact CE2-CD2 3.78Å; F434-L585 HydrophobicContact CE2-CG 3.98Å; L439-L585 HydrophobicContact CB-CD2 4.18Å; L498-L585 HydrophobicContact CD1-CB 4.05Å; L498-L585 HydrophobicContact CD1-CD1 3.94Å; L498-L585 HydrophobicContact CD2-CD1 3.72Å; T581-L585 HydrophobicContact CG2-CD1 3.96Å; T581-L585 HydrophobicContact CG2-CG 4.43Å; T581-L585 WeakPolarHBondContact O-CB 3.31Å; T581-L585 WeakPolarHBondContact O-CG 3.4Å; T581-L585 PolarHBondContact O-N 3.22Å; C582-L585 CarbonylContact O-C 3.6Å; C582-L585 PolarHBondContact O-N 3.39Å; R583-L585 VanDerWaalsContact C-N 3.28Å; R583-L585 PolarHBondContact O-N 3.42Å |
| 586 | G | 76.3 | Confident | 85.3 | Confident | 32 Ų | 32 | 31 Ų | 31 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 13 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C582 R583 Q603 | C582-G586 PolarHBondContact O-N 3.42Å; C582-G586 VanDerWaalsContact O-N 3.15Å; R583-G586 PolarHBondContact O-N 2.92Å; G586-Q603 PolarHBondContact O-N 3.25Å |
| 587 | V | 84.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 89.9 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | L498 C582 R583 V600 T601 | L498-V587 HydrophobicContact CB-CG2 4.02Å; L498-V587 HydrophobicContact CD1-CG2 4.46Å; C582-V587 CarbonylContact C-O 3.58Å; C582-V587 HydrophobicContact CB-CB 4.25Å; C582-V587 WeakPolarHBondContact CB-O 3.41Å; C582-V587 CarbonylContact O-C 3.47Å; C582-V587 WeakPolarHBondContact O-CA 3.43Å; C582-V587 PolarHBondContact O-N 3.46Å; C582-V587 VanDerWaalsContact O-O 3.08Å; R583-V587 PolarHBondContact N-O 3.22Å; V587-V600 HydrophobicContact CG1-CG1 3.84Å; V587-T601 CarbonylContact C-O 3.56Å; V587-T601 VanDerWaalsContact CA-O 3.31Å; V587-T601 WeakPolarHBondContact CA-O 3.19Å |
| 588 | V | 87.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.5 | -170.3 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | T563 Y566 R583 H590 V600 T601 | T563-V588 HydrophobicContact CG2-CG2 3.98Å; Y566-V588 HydrophobicContact CD2-CG1 4.33Å; Y566-V588 HydrophobicContact CE2-CG1 4.23Å; R583-V588 HydrophobicContact CG-CG1 4.36Å; R583-V588 HydrophobicContact CG-CG2 4.13Å; V588-H590 PolarHBondContact O-CD2 3.18Å; V588-V600 CarbonylContact O-C 3.58Å; V588-V600 WeakPolarHBondContact O-CA 3.4Å; V588-T601 PolarHBondContact N-O 2.98Å; V588-T601 PolarHBondContact O-N 3.42Å |
| 589 | Y | 90 | Very high | 85.5 | Confident | 20 Ų | 20 | 29 Ų | 29 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120.5 | 166.5 | 177.5 | -105.8 | 0 | 0 | 0 | 110.1 | S502 H505 V509 Y568 V579 L598 V600 | S502-Y589 WeakPolarHBondContact O-CD2 3.34Å; H505-Y589 AromaticContact CE1-CD1 3.73Å; H505-Y589 AromaticContact CE1-CE1 3.44Å; H505-Y589 VanDerWaalsContact CE1-CE1 3.44Å; H505-Y589 WeakPolarHBondContact CE1-CE1 3.34Å; H505-Y589 AromaticContact CE1-CE2 3.88Å; H505-Y589 AromaticContact CE1-CZ 3.52Å; H505-Y589 AromaticContact NE2-CD1 3.81Å; H505-Y589 AromaticContact NE2-CG 3.81Å; V509-Y589 HydrophobicContact CG2-CD1 3.68Å; V509-Y589 HydrophobicContact CG2-CE1 3.51Å; Y568-Y589 HydrophobicContact CE1-CD1 4.24Å; Y568-Y589 WeakPolarHBondContact CE1-O 3.21Å; Y568-Y589 PolarHBondContact OH-O 3.39Å; V579-Y589 HydrophobicContact CG1-CD1 4.48Å; Y589-L598 HydrophobicContact CE2-CD2 4.32Å; Y589-V600 HydrophobicContact CD2-CG2 3.9Å |
| 590 | H | 87.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -9.7 | -178.4 | -66 | -91.2 | 0 | 0 | 0 | 113.8 | A548 Y566 V588 V599 T601 | A548-H590 HydrophobicContact CB-CB 3.76Å; Y566-H590 AromaticContact CE2-CE1 3.97Å; Y566-H590 AromaticContact CE2-ND1 3.38Å; Y566-H590 WeakPolarHBondContact CE2-ND1 3.25Å; Y566-H590 AromaticContact CZ-ND1 3.47Å; Y566-H590 PolarHBondContact OH-ND1 3.32Å; V588-H590 PolarHBondContact O-CD2 3.18Å; H590-V599 HydrophobicContact CB-CB 4.22Å; H590-V599 HydrophobicContact CB-CG1 4.35Å; H590-V599 WeakPolarHBondContact CB-O 3.46Å; H590-V599 PolarHBondContact N-O 2.99Å; H590-T601 PolarHBondContact CD2-OG1 2.76Å; H590-T601 VanDerWaalsContact NE2-CB 3.33Å; H590-T601 WeakPolarHBondContact NE2-CB 3.44Å; H590-T601 PolarHBondContact NE2-OG1 3.26Å |
| 591 | G | 87 | Confident | 85.5 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.6 | -165.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V599 | G591-V599 PolarHBondContact O-N 3.02Å |
| 592 | S | 86.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 26.4 Ų | 26.4 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 136.8 | 171.3 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | A545 L597 | A545-S592 WeakPolarHBondContact CA-O 3.49Å; A545-S592 WeakPolarHBondContact CB-O 3.46Å; S592-L597 CarbonylContact C-O 3.48Å; S592-L597 WeakPolarHBondContact CA-O 3.49Å |
| 593 | D | 85.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -79 | -177.4 | 170.2 | 69.2 | 17.7 | 0 | 0 | 0 | 113.2 | A548 S595 G596 L597 V599 R608 | A548-D593 HydrophobicContact CB-CB 4.02Å; D593-S595 VanDerWaalsContact CG-OG 3.27Å; D593-S595 PolarHBondContact O-N 2.95Å; D593-S595 VanDerWaalsContact O-N 3.09Å; D593-S595 WeakPolarHBondContact OD1-CA 3.28Å; D593-S595 WeakPolarHBondContact OD1-CB 3.42Å; D593-S595 PolarHBondContact OD1-N 3.04Å; D593-S595 PolarHBondContact OD1-OG 3Å; D593-S595 PolarHBondContact OD2-OG 3.25Å; D593-G596 PolarHBondContact O-N 3.49Å; D593-G596 PolarHBondContact OD1-N 3.23Å; D593-L597 PolarHBondContact N-O 3.28Å; D593-L597 PolarHBondContact OD1-N 2.88Å; D593-L597 VanDerWaalsContact OD1-N 3.09Å; D593-V599 HydrophobicContact CB-CG2 3.9Å; D593-R608 IonicContact OD2-CZ 3.2Å; D593-R608 IonicContact OD2-NE 3.32Å; D593-R608 PolarHBondContact OD2-NE 2.94Å; D593-R608 IonicContact OD2-NH2 2.69Å; D593-R608 PolarHBondContact OD2-NH2 3.39Å | ||
| 594 | E | 83.6 | Confident | 83.9 | Confident | 107 Ų | 107 | 28.1 Ų | 28.1 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.1 | 178.9 | -65.5 | 168.2 | 138.3 | 0 | 0 | 113.8 | R546 S549 R553 | R546-E594 WeakPolarHBondContact CG-OE1 3.28Å; S549-E594 VanDerWaalsContact CB-OE2 3.3Å; S549-E594 WeakPolarHBondContact CB-OE2 3.42Å; S549-E594 WeakPolarHBondContact OG-CG 3.35Å; S549-E594 PolarHBondContact OG-N 2.9Å; S549-E594 PolarHBondContact OG-OE2 3.22Å; R553-E594 IonicContact CZ-OE2 3.91Å; R553-E594 IonicContact NH2-OE2 2.95Å; R553-E594 PolarHBondContact NH2-OE2 3.29Å |
| 595 | S | 82.6 | Confident | 83.9 | Confident | 73 Ų | 73 | 31.6 Ų | 31.6 | 51% | 0.51 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.2 | 173.9 | 44.1 | 0 | 0 | 0 | 0 | 114 | D593 L597 | D593-S595 VanDerWaalsContact CG-OG 3.27Å; D593-S595 PolarHBondContact O-N 2.95Å; D593-S595 VanDerWaalsContact O-N 3.09Å; D593-S595 WeakPolarHBondContact OD1-CA 3.28Å; D593-S595 WeakPolarHBondContact OD1-CB 3.42Å; D593-S595 PolarHBondContact OD1-N 3.04Å; D593-S595 PolarHBondContact OD1-OG 3Å; D593-S595 PolarHBondContact OD2-OG 3.25Å; S595-L597 VanDerWaalsContact C-N 3.27Å; S595-L597 PolarHBondContact O-N 3.4Å |
| 596 | G | 83.9 | Confident | 84.2 | Confident | 47 Ų | 47 | 30.7 Ų | 30.7 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 79.5 | 2.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D593 | D593-G596 PolarHBondContact O-N 3.49Å; D593-G596 PolarHBondContact OD1-N 3.23Å |
| 597 | L | 88.3 | Confident | 84.7 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.141 | 17% | 0.174 | C | C | . | . | trans | -81.4 | 139 | 177.4 | -63.1 | 176.4 | 0 | 0 | 0 | 110.1 | S592 D593 S595 R608 R610 V631 | S592-L597 CarbonylContact C-O 3.48Å; S592-L597 WeakPolarHBondContact CA-O 3.49Å; D593-L597 PolarHBondContact N-O 3.28Å; D593-L597 PolarHBondContact OD1-N 2.88Å; D593-L597 VanDerWaalsContact OD1-N 3.09Å; S595-L597 VanDerWaalsContact C-N 3.27Å; S595-L597 PolarHBondContact O-N 3.4Å; L597-R608 HydrophobicContact CB-CG 4.34Å; L597-R610 HydrophobicContact CD2-CB 3.88Å; L597-R610 HydrophobicContact CD2-CG 4.26Å; L597-V631 HydrophobicContact CD2-CG2 4.36Å | ||
| 598 | L | 90.2 | Very high | 84.9 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.6 | 176.4 | -56.9 | -179.5 | 0 | 0 | 0 | 109.5 | Y589 R608 Y609 L611 | Y589-L598 HydrophobicContact CE2-CD2 4.32Å; L598-R608 WeakPolarHBondContact O-CA 3.2Å; L598-Y609 WeakPolarHBondContact CB-O 3Å; L598-Y609 PolarHBondContact N-O 2.69Å; L598-Y609 PolarHBondContact O-N 3Å; L598-L611 HydrophobicContact CD1-CB 4.06Å; L598-L611 HydrophobicContact CD1-CD1 4.41Å; L598-L611 HydrophobicContact CG-CB 4.32Å |
| 599 | V | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | A548 F552 H590 G591 D593 A606 V607 R608 | A548-V599 HydrophobicContact CB-CB 4.22Å; A548-V599 HydrophobicContact CB-CG2 4.26Å; F552-V599 HydrophobicContact CB-CG1 4.38Å; H590-V599 HydrophobicContact CB-CB 4.22Å; H590-V599 HydrophobicContact CB-CG1 4.35Å; H590-V599 WeakPolarHBondContact CB-O 3.46Å; H590-V599 PolarHBondContact N-O 2.99Å; G591-V599 PolarHBondContact O-N 3.02Å; D593-V599 HydrophobicContact CB-CG2 3.9Å; V599-A606 HydrophobicContact CG1-CB 4.12Å; V599-V607 WeakPolarHBondContact CA-O 3.24Å; V599-R608 HydrophobicContact CG2-CG 4.03Å |
| 600 | V | 89 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.2 | 172.3 | 179 | 0 | 0 | 0 | 0 | 109.1 | L499 L503 V587 V588 Y589 I602 A606 V607 | L499-V600 HydrophobicContact CD1-CB 4.44Å; L499-V600 HydrophobicContact CD1-CG1 3.85Å; L503-V600 HydrophobicContact CD2-CG2 3.62Å; L503-V600 HydrophobicContact CG-CG2 4.25Å; V587-V600 HydrophobicContact CG1-CG1 3.84Å; V588-V600 CarbonylContact O-C 3.58Å; V588-V600 WeakPolarHBondContact O-CA 3.4Å; Y589-V600 HydrophobicContact CD2-CG2 3.9Å; V600-I602 HydrophobicContact CG1-CG1 4.2Å; V600-A606 WeakPolarHBondContact O-CA 3.38Å; V600-V607 PolarHBondContact N-O 3.04Å; V600-V607 PolarHBondContact O-N 2.74Å |
| 601 | T | 86.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.6 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | V561 V587 V588 H590 G604 E605 | V561-T601 HydrophobicContact CB-CG2 4.32Å; V587-T601 CarbonylContact C-O 3.56Å; V587-T601 VanDerWaalsContact CA-O 3.31Å; V587-T601 WeakPolarHBondContact CA-O 3.19Å; V588-T601 PolarHBondContact N-O 2.98Å; V588-T601 PolarHBondContact O-N 3.42Å; H590-T601 PolarHBondContact CD2-OG1 2.76Å; H590-T601 VanDerWaalsContact NE2-CB 3.33Å; H590-T601 WeakPolarHBondContact NE2-CB 3.44Å; H590-T601 PolarHBondContact NE2-OG1 3.26Å; T601-G604 VanDerWaalsContact CG2-CA 3.41Å; T601-E605 CarbonylContact C-O 3.56Å; T601-E605 VanDerWaalsContact CA-O 3.27Å; T601-E605 WeakPolarHBondContact CA-O 3.32Å |
| 602 | I | 80.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.7 | 179.3 | -51.2 | 161.7 | 0 | 0 | 0 | 107.1 | Q495 L499 V600 G604 E605 V607 P675 | Q495-I602 HydrophobicContact CG-CG2 4.06Å; L499-I602 HydrophobicContact CD1-CD1 3.72Å; L499-I602 HydrophobicContact CD1-CG1 4.03Å; L499-I602 HydrophobicContact CD2-CD1 3.72Å; L499-I602 HydrophobicContact CG-CD1 4.3Å; V600-I602 HydrophobicContact CG1-CG1 4.2Å; I602-G604 PolarHBondContact O-N 2.96Å; I602-E605 PolarHBondContact N-O 2.96Å; I602-E605 PolarHBondContact O-N 3.26Å; I602-V607 HydrophobicContact CD1-CG2 4.13Å; I602-P675 HydrophobicContact CD1-CB 4.37Å; I602-P675 HydrophobicContact CD1-CG 3.93Å |
| 603 | Q | 70.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 13.8 | -178.4 | -56.5 | -172.9 | 8.8 | 0 | 0 | 116 | I481 G586 | I481-Q603 HydrophobicContact CG2-CG 3.87Å; G586-Q603 PolarHBondContact O-N 3.25Å |
| 604 | G | 72.3 | Confident | 86 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.2 | -6.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V561 T601 I602 | V561-G604 PolarHBondContact N-O 3.27Å; T601-G604 VanDerWaalsContact CG2-CA 3.41Å; I602-G604 PolarHBondContact O-N 2.96Å |
| 605 | E | 81.3 | Confident | 86.4 | Confident | 141 Ų | 141 | 33.5 Ų | 33.5 | 66% | 0.659 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126 | 174.1 | -60.6 | -165.8 | 159.8 | 0 | 0 | 111.8 | S555 T601 I602 | S555-E605 VanDerWaalsContact OG-CA 3.31Å; S555-E605 WeakPolarHBondContact OG-CA 3.45Å; T601-E605 CarbonylContact C-O 3.56Å; T601-E605 VanDerWaalsContact CA-O 3.27Å; T601-E605 WeakPolarHBondContact CA-O 3.32Å; I602-E605 PolarHBondContact N-O 2.96Å; I602-E605 PolarHBondContact O-N 3.26Å |
| 606 | A | 85.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F552 S555 V599 V600 | F552-A606 HydrophobicContact CB-CB 4.45Å; F552-A606 HydrophobicContact CD2-CB 4.15Å; F552-A606 WeakPolarHBondContact CE2-O 3.45Å; S555-A606 VanDerWaalsContact CB-N 3.33Å; S555-A606 PolarHBondContact OG-N 2.94Å; V599-A606 HydrophobicContact CG1-CB 4.12Å; V600-A606 WeakPolarHBondContact O-CA 3.38Å |
| 607 | V | 86.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.5 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | V599 V600 I602 Y609 F630 P675 | V599-V607 WeakPolarHBondContact CA-O 3.24Å; V600-V607 PolarHBondContact N-O 3.04Å; V600-V607 PolarHBondContact O-N 2.74Å; I602-V607 HydrophobicContact CD1-CG2 4.13Å; V607-Y609 HydrophobicContact CB-CE2 4.31Å; V607-Y609 HydrophobicContact CG1-CD2 4.13Å; V607-Y609 HydrophobicContact CG1-CE2 3.52Å; V607-F630 HydrophobicContact CG1-CD2 3.87Å; V607-F630 HydrophobicContact CG1-CE2 3.51Å; V607-P675 HydrophobicContact CG2-CG 4.28Å |
| 608 | R | 89.1 | Confident | 86.3 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.5 | 177.6 | -84.9 | 172.5 | 164.8 | 177.8 | -8.4 | 112.8 | F552 D593 L597 L598 V599 V631 | F552-R608 VanDerWaalsContact CD1-CZ 3.44Å; F552-R608 HydrophobicContact CD2-CG 3.8Å; F552-R608 VanDerWaalsContact CE1-NH1 3.3Å; F552-R608 HydrophobicContact CE2-CB 4.37Å; F552-R608 HydrophobicContact CE2-CG 3.75Å; F552-R608 HydrophobicContact CG-CG 4.36Å; F552-R608 HydrophobicContact CZ-CG 4.27Å; D593-R608 IonicContact OD2-CZ 3.2Å; D593-R608 IonicContact OD2-NE 3.32Å; D593-R608 PolarHBondContact OD2-NE 2.94Å; D593-R608 IonicContact OD2-NH2 2.69Å; D593-R608 PolarHBondContact OD2-NH2 3.39Å; L597-R608 HydrophobicContact CB-CG 4.34Å; L598-R608 WeakPolarHBondContact O-CA 3.2Å; V599-R608 HydrophobicContact CG2-CG 4.03Å; R608-V631 HydrophobicContact CB-CB 4.2Å; R608-V631 PolarHBondContact O-N 3.48Å |
| 609 | Y | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.8 | 171.1 | -68.3 | -85.5 | 0 | 0 | 0 | 110.7 | L503 L598 V607 V628 Q629 F630 L646 D674 | L503-Y609 HydrophobicContact CD1-CD2 3.92Å; L503-Y609 HydrophobicContact CD1-CE1 4.37Å; L503-Y609 HydrophobicContact CD1-CE2 3.73Å; L503-Y609 HydrophobicContact CD1-CG 4.32Å; L503-Y609 HydrophobicContact CD2-CD2 3.79Å; L503-Y609 HydrophobicContact CD2-CE2 4.33Å; L503-Y609 HydrophobicContact CD2-CG 4.24Å; L598-Y609 WeakPolarHBondContact CB-O 3Å; L598-Y609 PolarHBondContact N-O 2.69Å; L598-Y609 PolarHBondContact O-N 3Å; V607-Y609 HydrophobicContact CB-CE2 4.31Å; V607-Y609 HydrophobicContact CG1-CD2 4.13Å; V607-Y609 HydrophobicContact CG1-CE2 3.52Å; Y609-V628 HydrophobicContact CD1-CB 4.3Å; Y609-V628 HydrophobicContact CD1-CG2 3.99Å; Y609-Q629 CarbonylContact C-O 3.57Å; Y609-Q629 WeakPolarHBondContact CA-O 3.43Å; Y609-F630 HydrophobicContact CD1-CB 4.25Å; Y609-F630 HydrophobicContact CE1-CB 3.96Å; Y609-F630 AromaticContact CE1-CD2 3.92Å; Y609-F630 HydrophobicContact CE1-CD2 3.92Å; Y609-F630 HydrophobicContact CE1-CG 4.46Å; Y609-L646 HydrophobicContact CE1-CD1 3.95Å; Y609-D674 PolarHBondContact OH-OD1 3.35Å |
| 610 | R | 91.6 | Very high | 85.2 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120 | 168.5 | -179.2 | -177.1 | -71.9 | 138.7 | -7.2 | 108.2 | L597 L612 V628 Q629 V631 S640 | L597-R610 HydrophobicContact CD2-CB 3.88Å; L597-R610 HydrophobicContact CD2-CG 4.26Å; R610-L612 HydrophobicContact CG-CD2 4.18Å; R610-L612 PolarHBondContact O-N 3.36Å; R610-V628 WeakPolarHBondContact O-CA 3.24Å; R610-Q629 HydrophobicContact CB-CB 4.38Å; R610-Q629 PolarHBondContact N-O 2.7Å; R610-Q629 PolarHBondContact O-N 3.49Å; R610-V631 HydrophobicContact CB-CG2 3.9Å; R610-S640 PolarHBondContact NH1-OG 3.27Å |
| 611 | L | 91.3 | Very high | 85 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 118.8 | 173.3 | -177 | 60.3 | 0 | 0 | 0 | 109.3 | L598 V614 V626 V628 | L598-L611 HydrophobicContact CD1-CB 4.06Å; L598-L611 HydrophobicContact CD1-CD1 4.41Å; L598-L611 HydrophobicContact CG-CB 4.32Å; L611-V614 HydrophobicContact CD1-CG2 3.84Å; L611-V614 HydrophobicContact CD2-CG2 3.91Å; L611-V614 HydrophobicContact CG-CG2 4.25Å; L611-V626 HydrophobicContact CD1-CG1 3.52Å; L611-V628 HydrophobicContact CD1-CG1 4.2Å |
| 612 | L | 91.7 | Very high | 85 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -38.8 | -177.9 | -65.5 | 179.5 | 0 | 0 | 0 | 112.7 | R610 V627 Q629 V645 W722 | R610-L612 HydrophobicContact CG-CD2 4.18Å; R610-L612 PolarHBondContact O-N 3.36Å; L612-V627 HydrophobicContact CB-CB 4.4Å; L612-V627 HydrophobicContact CB-CG1 4.16Å; L612-V627 HydrophobicContact CD1-CG1 4.31Å; L612-V627 PolarHBondContact N-O 2.85Å; L612-Q629 HydrophobicContact CD1-CB 3.88Å; L612-Q629 HydrophobicContact CD2-CB 4.5Å; L612-Q629 HydrophobicContact CG-CB 4.16Å; L612-V645 HydrophobicContact CD1-CB 4.36Å; L612-V645 HydrophobicContact CD1-CG1 3.83Å; L612-V645 HydrophobicContact CD1-CG2 3.66Å; L612-W722 HydrophobicContact CB-CZ2 4.2Å |
| 613 | D | 92.5 | Very high | 85.5 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 158.1 | 173.9 | -144.7 | -37 | 0 | 0 | 0 | 111.8 | V627 W722 L729 R733 | D613-V627 HydrophobicContact CB-CB 4.45Å; D613-V627 PolarHBondContact N-O 2.87Å; D613-V627 PolarHBondContact O-N 2.92Å; D613-W722 HydrophobicContact CB-CH2 3.88Å; D613-W722 HydrophobicContact CB-CZ2 3.87Å; D613-L729 WeakPolarHBondContact OD2-CD2 3.36Å; D613-R733 IonicContact OD1-CZ 3.41Å; D613-R733 IonicContact OD1-NH1 3.91Å; D613-R733 IonicContact OD1-NH2 3.52Å; D613-R733 PolarHBondContact OD1-NH2 3.12Å; D613-R733 IonicContact OD2-CZ 3.43Å; D613-R733 IonicContact OD2-NH1 3.74Å; D613-R733 PolarHBondContact OD2-NH1 2.99Å; D613-R733 IonicContact OD2-NH2 3.25Å; D613-R733 PolarHBondContact OD2-NH2 2.94Å |
| 614 | V | 91.2 | Very high | 86.5 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.7 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | T506 L611 E616 | T506-V614 HydrophobicContact CG2-CG1 4.21Å; L611-V614 HydrophobicContact CD1-CG2 3.84Å; L611-V614 HydrophobicContact CD2-CG2 3.91Å; L611-V614 HydrophobicContact CG-CG2 4.25Å; V614-E616 HydrophobicContact CG1-CG 4.23Å; V614-E616 PolarHBondContact O-N 3.36Å |
| 615 | L | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 83.1 | 172.9 | -59.1 | 178.5 | 0 | 0 | 0 | 107.9 | R621 S625 L729 Y748 I751 | L615-R621 PolarHBondContact O-NH2 3.17Å; L615-S625 WeakPolarHBondContact CA-O 3.49Å; L615-S625 WeakPolarHBondContact CB-O 3.34Å; L615-S625 PolarHBondContact N-O 3.3Å; L615-S625 PolarHBondContact O-N 3Å; L615-S625 VanDerWaalsContact O-N 3.1Å; L615-L729 HydrophobicContact CD2-CD1 4.42Å; L615-L729 HydrophobicContact CD2-CD2 3.93Å; L615-Y748 HydrophobicContact CD2-CD1 3.78Å; L615-Y748 HydrophobicContact CD2-CE1 3.54Å; L615-I751 HydrophobicContact CD1-CB 4.36Å; L615-I751 HydrophobicContact CD1-CD1 4.16Å; L615-I751 HydrophobicContact CD1-CG2 3.85Å |
| 616 | E | 87.2 | Confident | 88.1 | Confident | 141 Ų | 141 | 41.2 Ų | 41.2 | 66% | 0.659 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -47.6 | 151.9 | -177.1 | -66.9 | -173.1 | 167.2 | 0 | 0 | 113.4 | V614 D618 R621 | V614-E616 HydrophobicContact CG1-CG 4.23Å; V614-E616 PolarHBondContact O-N 3.36Å; E616-D618 PolarHBondContact O-N 3.03Å; E616-R621 PolarHBondContact O-NH2 2.81Å |
| 617 | F | 85.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 41.2 Ų | 41.2 | 47% | 0.469 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 125.1 | 179.8 | 177.7 | -90 | 0 | 0 | 0 | 111.7 | A619 M624 | F617-A619 HydrophobicContact CE1-CB 4.42Å; F617-M624 HydrophobicContact CB-CB 4.35Å; F617-M624 HydrophobicContact CB-CE 4.34Å |
| 618 | D | 80.1 | Confident | 88.8 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.4 | 172.8 | -177.6 | -23.1 | 0 | 0 | 0 | 109.3 | E616 T620 R621 K622 | E616-D618 PolarHBondContact O-N 3.03Å; D618-T620 PolarHBondContact O-N 3.33Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 3.16Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å; D618-T620 PolarHBondContact OD2-OG1 3.27Å; D618-R621 HydrophobicContact CB-CB 3.86Å; D618-R621 PolarHBondContact O-N 3.14Å; D618-R621 VanDerWaalsContact O-N 3.16Å; D618-K622 PolarHBondContact O-N 3.49Å |
| 619 | A | 76.2 | Confident | 88.8 | Confident | 70 Ų | 70 | 38.2 Ų | 38.2 | 58% | 0.579 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F617 | F617-A619 HydrophobicContact CE1-CB 4.42Š|
| 620 | T | 80.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 38.7 Ų | 38.7 | 65% | 0.65 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -39.8 | 173.2 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | D618 | D618-T620 PolarHBondContact O-N 3.33Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 3.16Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å; D618-T620 PolarHBondContact OD2-OG1 3.27Å |
| 621 | R | 84.6 | Confident | 88.4 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.2 | -178.7 | -159.2 | -176.3 | 61.7 | -171.3 | -12.8 | 113.3 | L615 E616 D618 C623 S655 E752 | L615-R621 PolarHBondContact O-NH2 3.17Å; E616-R621 PolarHBondContact O-NH2 2.81Å; D618-R621 HydrophobicContact CB-CB 3.86Å; D618-R621 PolarHBondContact O-N 3.14Å; D618-R621 VanDerWaalsContact O-N 3.16Å; R621-C623 PolarHBondContact NE-O 2.8Å; R621-C623 VanDerWaalsContact NE-O 3.13Å; R621-C623 PolarHBondContact NE-SG 2.84Å; R621-C623 PolarHBondContact NH2-O 3.17Å; R621-C623 PolarHBondContact O-N 2.97Å; R621-C623 VanDerWaalsContact O-N 3.17Å; R621-S655 PolarHBondContact O-OG 3.16Å; R621-E752 VanDerWaalsContact CD-OE1 3.25Å; R621-E752 WeakPolarHBondContact CD-OE1 3.3Å; R621-E752 IonicContact CZ-OE1 3.95Å; R621-E752 IonicContact NE-OE1 2.88Å; R621-E752 PolarHBondContact NE-OE1 2.93Å; R621-E752 IonicContact NH1-OE1 2.83Å; R621-E752 PolarHBondContact NH1-OE1 3.29Å |
| 622 | K | 86.8 | Confident | 87.6 | Confident | 72 Ų | 72 | 35 Ų | 35 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 23 | -176.8 | -62.1 | -164.2 | 179.7 | -166.4 | 0 | 115.5 | D618 G651 A652 E794 | D618-K622 PolarHBondContact O-N 3.49Å; K622-G651 WeakPolarHBondContact O-CA 3.41Å; K622-A652 HydrophobicContact CB-CB 4.24Å; K622-A652 HydrophobicContact CD-CB 4.26Å; K622-A652 PolarHBondContact O-N 2.9Å; K622-A652 VanDerWaalsContact O-N 3.13Å; K622-E794 IonicContact NZ-OE1 3.26Å; K622-E794 PolarHBondContact NZ-OE1 2.83Å |
| 623 | C | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 161.6 | 173.2 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | R621 K650 L656 E752 | R621-C623 PolarHBondContact NE-O 2.8Å; R621-C623 VanDerWaalsContact NE-O 3.13Å; R621-C623 PolarHBondContact NE-SG 2.84Å; R621-C623 PolarHBondContact NH2-O 3.17Å; R621-C623 PolarHBondContact O-N 2.97Å; R621-C623 VanDerWaalsContact O-N 3.17Å; C623-K650 CarbonylContact C-O 3.33Å; C623-K650 WeakPolarHBondContact CA-O 3.33Å; C623-K650 WeakPolarHBondContact CB-O 3.37Å; C623-L656 HydrophobicContact CB-CD1 3.85Å; C623-E752 PolarHBondContact SG-OE2 3.43Å |
| 624 | M | 92.3 | Very high | 84.9 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.9 | 166.1 | 171.5 | -176.5 | -79.1 | 0 | 0 | 108 | T506 E575 F617 V626 C649 K650 | T506-M624 HydrophobicContact CG2-CE 3.52Å; T506-M624 HydrophobicContact CG2-SD 4.4Å; E575-M624 WeakPolarHBondContact OE1-CE 3.47Å; E575-M624 VanDerWaalsContact OE1-SD 3.36Å; F617-M624 HydrophobicContact CB-CB 4.35Å; F617-M624 HydrophobicContact CB-CE 4.34Å; M624-V626 HydrophobicContact CG-CG2 4.43Å; M624-V626 HydrophobicContact SD-CG2 4.27Å; M624-C649 WeakPolarHBondContact O-CA 3.34Å; M624-K650 HydrophobicContact CB-CG 4.14Å; M624-K650 PolarHBondContact N-O 3.41Å; M624-K650 PolarHBondContact O-N 2.85Å; M624-K650 VanDerWaalsContact SD-CE 3.56Å |
| 625 | S | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.7 | 165.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | L615 L648 C649 | L615-S625 WeakPolarHBondContact CA-O 3.49Å; L615-S625 WeakPolarHBondContact CB-O 3.34Å; L615-S625 PolarHBondContact N-O 3.3Å; L615-S625 PolarHBondContact O-N 3Å; L615-S625 VanDerWaalsContact O-N 3.1Å; S625-L648 CarbonylContact C-O 3.59Å; S625-L648 WeakPolarHBondContact CA-O 3.26Å; S625-L648 WeakPolarHBondContact CB-O 3.12Å; S625-C649 WeakPolarHBondContact OG-CB 3.32Å; S625-C649 PolarHBondContact OG-SG 3.41Å; S625-C649 VanDerWaalsContact OG-SG 3.4Å |
| 626 | V | 94.1 | Very high | 81.1 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129 | 177.2 | -176 | 0 | 0 | 0 | 0 | 107.4 | L611 M624 V628 L648 | L611-V626 HydrophobicContact CD1-CG1 3.52Å; M624-V626 HydrophobicContact CG-CG2 4.43Å; M624-V626 HydrophobicContact SD-CG2 4.27Å; V626-V628 HydrophobicContact CG1-CG1 3.93Å; V626-L648 PolarHBondContact N-O 3.04Å; V626-L648 PolarHBondContact O-N 2.95Å |
| 627 | V | 94 | Very high | 79.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.1 | -176.3 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | L612 D613 V645 L646 I647 W722 | L612-V627 HydrophobicContact CB-CB 4.4Å; L612-V627 HydrophobicContact CB-CG1 4.16Å; L612-V627 HydrophobicContact CD1-CG1 4.31Å; L612-V627 PolarHBondContact N-O 2.85Å; D613-V627 HydrophobicContact CB-CB 4.45Å; D613-V627 PolarHBondContact N-O 2.87Å; D613-V627 PolarHBondContact O-N 2.92Å; V627-V645 HydrophobicContact CG1-CG1 3.3Å; V627-L646 WeakPolarHBondContact CA-O 3.09Å; V627-I647 HydrophobicContact CG1-CG1 4.08Å; V627-I647 HydrophobicContact CG2-CG1 4.1Å; V627-W722 HydrophobicContact CB-CH2 3.97Å; V627-W722 HydrophobicContact CB-CZ2 4.27Å; V627-W722 HydrophobicContact CB-CZ3 4.29Å; V627-W722 HydrophobicContact CG1-CD2 4.07Å; V627-W722 HydrophobicContact CG1-CE3 3.94Å; V627-W722 HydrophobicContact CG1-CH2 3.8Å; V627-W722 HydrophobicContact CG1-CZ2 3.91Å; V627-W722 HydrophobicContact CG1-CZ3 3.81Å; V627-W722 HydrophobicContact CG2-CH2 3.73Å; V627-W722 HydrophobicContact CG2-CZ3 3.85Å |
| 628 | V | 92.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.5 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | Y609 R610 L611 V626 L646 L648 | Y609-V628 HydrophobicContact CD1-CB 4.3Å; Y609-V628 HydrophobicContact CD1-CG2 3.99Å; R610-V628 WeakPolarHBondContact O-CA 3.24Å; L611-V628 HydrophobicContact CD1-CG1 4.2Å; V626-V628 HydrophobicContact CG1-CG1 3.93Å; V628-L646 HydrophobicContact CG2-CB 3.82Å; V628-L646 HydrophobicContact CG2-CD1 3.91Å; V628-L646 HydrophobicContact CG2-CG 4.46Å; V628-L646 PolarHBondContact N-O 2.94Å; V628-L646 PolarHBondContact O-N 2.88Å; V628-L648 HydrophobicContact CG2-CD1 4.19Å; V628-L648 HydrophobicContact CG2-CG 4.42Å |
| 629 | Q | 89.9 | Confident | 76.3 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.6 | 172.9 | -179.4 | -177.9 | 43.7 | 0 | 0 | 108.8 | Y609 R610 L612 S640 S643 | Y609-Q629 CarbonylContact C-O 3.57Å; Y609-Q629 WeakPolarHBondContact CA-O 3.43Å; R610-Q629 HydrophobicContact CB-CB 4.38Å; R610-Q629 PolarHBondContact N-O 2.7Å; R610-Q629 PolarHBondContact O-N 3.49Å; L612-Q629 HydrophobicContact CD1-CB 3.88Å; L612-Q629 HydrophobicContact CD2-CB 4.5Å; L612-Q629 HydrophobicContact CG-CB 4.16Å; Q629-S640 PolarHBondContact NE2-O 2.63Å; Q629-S643 WeakPolarHBondContact CG-OG 3.29Å; Q629-S643 PolarHBondContact NE2-OG 3.04Å |
| 630 | F | 87 | Confident | 75.2 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.5 | 175.3 | 175.6 | -99.7 | 0 | 0 | 0 | 111.1 | V607 Y609 P632 S643 Y672 G673 D674 | V607-F630 HydrophobicContact CG1-CD2 3.87Å; V607-F630 HydrophobicContact CG1-CE2 3.51Å; Y609-F630 HydrophobicContact CD1-CB 4.25Å; Y609-F630 HydrophobicContact CE1-CB 3.96Å; Y609-F630 AromaticContact CE1-CD2 3.92Å; Y609-F630 HydrophobicContact CE1-CD2 3.92Å; Y609-F630 HydrophobicContact CE1-CG 4.46Å; F630-P632 HydrophobicContact CE1-CB 3.87Å; F630-S643 PolarHBondContact O-OG 2.82Å; F630-Y672 HydrophobicContact CD1-CD2 4.48Å; F630-G673 WeakPolarHBondContact CZ-O 3.27Å; F630-D674 HydrophobicContact CB-CB 3.84Å; F630-D674 HydrophobicContact CD1-CB 3.82Å; F630-D674 HydrophobicContact CD2-CB 3.8Å; F630-D674 HydrophobicContact CE1-CB 4.27Å; F630-D674 HydrophobicContact CE2-CB 4.25Å; F630-D674 HydrophobicContact CG-CB 3.55Å; F630-D674 HydrophobicContact CZ-CB 4.48Å |
| 631 | V | 84.2 | Confident | 74 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 107.1 | 177 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L597 R608 R610 | L597-V631 HydrophobicContact CD2-CG2 4.36Å; R608-V631 HydrophobicContact CB-CB 4.2Å; R608-V631 PolarHBondContact O-N 3.48Å; R610-V631 HydrophobicContact CB-CG2 3.9Å |
| 632 | P | 74.3 | Confident | 72.8 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | trans | -63.8 | 152.1 | -177.2 | 24.3 | -32.9 | 0 | 0 | 0 | 112.8 | F630 E634 | F630-P632 HydrophobicContact CE1-CB 3.87Å; P632-E634 VanDerWaalsContact C-N 3.34Å; P632-E634 PolarHBondContact O-N 3.35Å | ||
| 633 | N | 67.7 | Low | 71.9 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -73.4 | -20.6 | -172.8 | -75.4 | -23.1 | 0 | 0 | 0 | 114.8 | F552 | F552-N633 VanDerWaalsContact CE2-OD1 3.23Å; F552-N633 WeakPolarHBondContact CE2-OD1 3.05Å; F552-N633 VanDerWaalsContact CZ-OD1 3.29Å; F552-N633 WeakPolarHBondContact CZ-OD1 3.24Å |
| 634 | E | 59.7 | Low | 71.5 | Confident | 187 Ų | 187 | 53 Ų | 53 | 87% | 0.874 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -116.7 | -12.5 | -161.6 | -59 | -162.1 | 143.9 | 0 | 0 | 115.6 | P632 | P632-E634 VanDerWaalsContact C-N 3.34Å; P632-E634 PolarHBondContact O-N 3.35Å |
| 635 | S | 50.7 | Low | 71.3 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -122.7 | 153.3 | -178.9 | 55 | 0 | 0 | 0 | 0 | 114.5 | E639 | S635-E639 WeakPolarHBondContact CB-OE2 3.27Å; S635-E639 PolarHBondContact OG-OE2 2.7Å |
| 636 | G | 52.7 | Low | 71.1 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | trans | -70.5 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S638 E639 | G636-S638 PolarHBondContact O-N 3.36Å; G636-E639 PolarHBondContact O-N 2.95Å; G636-E639 VanDerWaalsContact O-N 3.1Å | ||
| 637 | E | 51.3 | Low | 71 | Confident | 155 Ų | 155 | 52.6 Ų | 52.6 | 72% | 0.724 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -29.7 | -172.7 | -61.5 | -169.7 | 125.7 | 0 | 0 | 114.4 | E639 S640 | E637-E639 VanDerWaalsContact C-N 3.34Å; E637-E639 PolarHBondContact O-N 2.74Å; E637-S640 WeakPolarHBondContact O-CB 3.45Å; E637-S640 PolarHBondContact O-N 2.87Å; E637-S640 VanDerWaalsContact O-N 3.11Å; E637-S640 PolarHBondContact O-OG 3.18Å |
| 638 | S | 48.9 | Very low | 71 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -37 | 178.8 | -46 | 0 | 0 | 0 | 0 | 114.8 | G636 L641 | G636-S638 PolarHBondContact O-N 3.36Å; S638-L641 WeakPolarHBondContact O-CD1 3.41Å |
| 639 | E | 50.7 | Low | 71 | Confident | 130 Ų | 130 | 52.6 Ų | 52.6 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -83.6 | -19.5 | 178 | -73.9 | -171.3 | 168.8 | 0 | 0 | 112.8 | S635 G636 E637 L641 N642 | S635-E639 WeakPolarHBondContact CB-OE2 3.27Å; S635-E639 PolarHBondContact OG-OE2 2.7Å; G636-E639 PolarHBondContact O-N 2.95Å; G636-E639 VanDerWaalsContact O-N 3.1Å; E637-E639 VanDerWaalsContact C-N 3.34Å; E637-E639 PolarHBondContact O-N 2.74Å; E639-L641 PolarHBondContact O-N 2.62Å; E639-N642 PolarHBondContact O-N 3.2Å |
| 640 | S | 54.3 | Low | 71.2 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -64.1 | -12.7 | 176.1 | 79.1 | 0 | 0 | 0 | 0 | 113.4 | R610 Q629 E637 N642 S643 | R610-S640 PolarHBondContact NH1-OG 3.27Å; Q629-S640 PolarHBondContact NE2-O 2.63Å; E637-S640 WeakPolarHBondContact O-CB 3.45Å; E637-S640 PolarHBondContact O-N 2.87Å; E637-S640 VanDerWaalsContact O-N 3.11Å; E637-S640 PolarHBondContact O-OG 3.18Å; S640-N642 VanDerWaalsContact C-N 3.26Å; S640-N642 PolarHBondContact O-N 3.12Å; S640-S643 PolarHBondContact O-OG 2.89Å |
| 641 | L | 53.7 | Low | 71.3 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -67.1 | -21.9 | 175.2 | -83.2 | 121.4 | 0 | 0 | 0 | 114 | S638 E639 I719 | S638-L641 WeakPolarHBondContact O-CD1 3.41Å; E639-L641 PolarHBondContact O-N 2.62Å; L641-I719 WeakPolarHBondContact O-CG2 3.36Å |
| 642 | N | 60.4 | Low | 71.5 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 79% | 0.791 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -99.4 | -2.8 | -176.9 | -73.7 | -16.9 | 0 | 0 | 0 | 114.6 | E639 S640 | E639-N642 PolarHBondContact O-N 3.2Å; S640-N642 VanDerWaalsContact C-N 3.26Å; S640-N642 PolarHBondContact O-N 3.12Å |
| 643 | S | 67.2 | Low | 72.1 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -73.3 | 145.8 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | Q629 F630 S640 | Q629-S643 WeakPolarHBondContact CG-OG 3.29Å; Q629-S643 PolarHBondContact NE2-OG 3.04Å; F630-S643 PolarHBondContact O-OG 2.82Å; S640-S643 PolarHBondContact O-OG 2.89Å |
| 644 | L | 82.6 | Confident | 72.9 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 153.6 | 177.1 | -60.4 | -179.3 | 0 | 0 | 0 | 111.3 | F669 Y672 L716 T718 | L644-F669 HydrophobicContact CD1-CB 3.76Å; L644-F669 HydrophobicContact CD1-CD1 3.88Å; L644-F669 HydrophobicContact CD1-CD2 3.7Å; L644-F669 HydrophobicContact CD1-CE1 4.41Å; L644-F669 HydrophobicContact CD1-CE2 4.27Å; L644-F669 HydrophobicContact CD1-CG 3.51Å; L644-F669 HydrophobicContact CD2-CD1 4.02Å; L644-F669 HydrophobicContact CD2-CE1 4.14Å; L644-F669 HydrophobicContact CD2-CG 4.49Å; L644-Y672 HydrophobicContact CB-CE1 4.17Å; L644-Y672 WeakPolarHBondContact CB-OH 3.4Å; L644-Y672 HydrophobicContact CD1-CE1 3.64Å; L644-Y672 HydrophobicContact CG-CE1 3.62Å; L644-L716 HydrophobicContact CB-CD2 4.44Å; L644-L716 HydrophobicContact CD1-CB 4.43Å; L644-L716 HydrophobicContact CD1-CD2 3.88Å; L644-T718 HydrophobicContact CD2-CG2 4.22Å |
| 645 | V | 87.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.6 | 172.1 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | L612 V627 I717 I719 W722 | L612-V645 HydrophobicContact CD1-CB 4.36Å; L612-V645 HydrophobicContact CD1-CG1 3.83Å; L612-V645 HydrophobicContact CD1-CG2 3.66Å; V627-V645 HydrophobicContact CG1-CG1 3.3Å; V645-I717 HydrophobicContact CB-CG1 3.94Å; V645-I717 HydrophobicContact CG1-CD1 4.42Å; V645-I717 HydrophobicContact CG1-CG1 4.2Å; V645-I717 PolarHBondContact N-O 2.85Å; V645-I717 PolarHBondContact O-N 3.13Å; V645-I717 VanDerWaalsContact O-N 3.1Å; V645-I719 HydrophobicContact CG2-CD1 3.7Å; V645-W722 HydrophobicContact CB-CB 4.22Å; V645-W722 HydrophobicContact CB-CG 4.45Å; V645-W722 HydrophobicContact CG1-CB 4.21Å; V645-W722 HydrophobicContact CG1-CD2 4.17Å; V645-W722 HydrophobicContact CG1-CE3 4.49Å; V645-W722 HydrophobicContact CG1-CG 4.02Å; V645-W722 HydrophobicContact CG2-CB 3.98Å; V645-W722 HydrophobicContact CG2-CG 4.12Å |
| 646 | L | 90.3 | Very high | 76 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.4 | 177.3 | -57.5 | 168.8 | 0 | 0 | 0 | 108.8 | Y609 V627 V628 L648 D674 L676 I714 L716 | Y609-L646 HydrophobicContact CE1-CD1 3.95Å; V627-L646 WeakPolarHBondContact CA-O 3.09Å; V628-L646 HydrophobicContact CG2-CB 3.82Å; V628-L646 HydrophobicContact CG2-CD1 3.91Å; V628-L646 HydrophobicContact CG2-CG 4.46Å; V628-L646 PolarHBondContact N-O 2.94Å; V628-L646 PolarHBondContact O-N 2.88Å; L646-L648 HydrophobicContact CB-CD2 4.16Å; L646-D674 WeakPolarHBondContact CD1-OD2 3.44Å; L646-L676 HydrophobicContact CD1-CB 4.32Å; L646-L676 HydrophobicContact CD1-CD2 3.92Å; L646-I714 HydrophobicContact CD2-CD1 4.18Å; L646-L716 HydrophobicContact CD2-CD2 3.5Å |
| 647 | I | 92.1 | Very high | 77.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.8 | 167.1 | -63.5 | 160.9 | 0 | 0 | 0 | 107 | V627 I714 R715 I717 I751 | V627-I647 HydrophobicContact CG1-CG1 4.08Å; V627-I647 HydrophobicContact CG2-CG1 4.1Å; I647-I714 WeakPolarHBondContact O-CA 3.14Å; I647-R715 HydrophobicContact CB-CB 4.23Å; I647-R715 PolarHBondContact N-O 2.9Å; I647-R715 PolarHBondContact O-N 3.03Å; I647-I717 HydrophobicContact CD1-CD1 3.52Å; I647-I717 HydrophobicContact CD1-CG1 4.07Å; I647-I717 HydrophobicContact CD1-CG2 4.5Å; I647-I717 HydrophobicContact CG1-CD1 4.37Å; I647-I751 HydrophobicContact CD1-CG2 3.77Å; I647-I751 HydrophobicContact CG1-CG2 4.31Å; I647-I751 HydrophobicContact CG2-CG2 4.22Å |
| 648 | L | 93.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.9 | 175.6 | -48.7 | -176.1 | 0 | 0 | 0 | 108.3 | L500 L503 C504 S625 V626 V628 L646 L676 I714 | L500-L648 HydrophobicContact CD1-CD2 4.31Å; L500-L648 HydrophobicContact CG-CB 4.4Å; L500-L648 HydrophobicContact CG-CD2 4.33Å; L503-L648 HydrophobicContact CB-CD1 3.53Å; L503-L648 HydrophobicContact CD1-CD1 4.2Å; C504-L648 HydrophobicContact CB-CB 3.95Å; C504-L648 HydrophobicContact CB-CD1 4.39Å; C504-L648 PolarHBondContact SG-O 3.3Å; S625-L648 CarbonylContact C-O 3.59Å; S625-L648 WeakPolarHBondContact CA-O 3.26Å; S625-L648 WeakPolarHBondContact CB-O 3.12Å; V626-L648 PolarHBondContact N-O 3.04Å; V626-L648 PolarHBondContact O-N 2.95Å; V628-L648 HydrophobicContact CG2-CD1 4.19Å; V628-L648 HydrophobicContact CG2-CG 4.42Å; L646-L648 HydrophobicContact CB-CD2 4.16Å; L648-L676 HydrophobicContact CD1-CD2 4.43Å; L648-L676 HydrophobicContact CD2-CD2 3.47Å; L648-L676 VanDerWaalsContact CD2-CD2 3.47Å; L648-I714 HydrophobicContact CD2-CD1 3.79Å; L648-I714 HydrophobicContact CD2-CG1 3.97Å |
| 649 | C | 93.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | M624 S625 G713 L755 | M624-C649 WeakPolarHBondContact O-CA 3.34Å; S625-C649 WeakPolarHBondContact OG-CB 3.32Å; S625-C649 PolarHBondContact OG-SG 3.41Å; S625-C649 VanDerWaalsContact OG-SG 3.4Å; C649-G713 PolarHBondContact N-O 3Å; C649-G713 PolarHBondContact O-N 2.76Å; C649-G713 VanDerWaalsContact O-O 3.14Å; C649-L755 HydrophobicContact CB-CD1 3.97Å; C649-L755 HydrophobicContact CB-CD2 3.81Å |
| 650 | K | 92.3 | Very high | 82.6 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.9 | 172.6 | 71.3 | -179.2 | -178.3 | -171.8 | 0 | 110.8 | C504 E575 C623 M624 V711 M712 | C504-K650 VanDerWaalsContact O-CD 3.32Å; C504-K650 WeakPolarHBondContact O-CD 3.45Å; C504-K650 WeakPolarHBondContact O-CE 3.38Å; C504-K650 PolarHBondContact O-NZ 3.23Å; E575-K650 WeakPolarHBondContact OE1-CE 3.31Å; E575-K650 IonicContact OE1-NZ 2.69Å; E575-K650 PolarHBondContact OE1-NZ 3.35Å; C623-K650 CarbonylContact C-O 3.33Å; C623-K650 WeakPolarHBondContact CA-O 3.33Å; C623-K650 WeakPolarHBondContact CB-O 3.37Å; M624-K650 HydrophobicContact CB-CG 4.14Å; M624-K650 PolarHBondContact N-O 3.41Å; M624-K650 PolarHBondContact O-N 2.85Å; M624-K650 VanDerWaalsContact SD-CE 3.56Å; K650-V711 WeakPolarHBondContact CA-O 3.46Å; K650-M712 HydrophobicContact CB-CE 3.79Å; K650-M712 HydrophobicContact CB-SD 3.38Å; K650-M712 WeakPolarHBondContact CB-SD 3.46Å |
| 651 | G | 90.6 | Very high | 83.4 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -168.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | K622 V711 | K622-G651 WeakPolarHBondContact O-CA 3.41Å; G651-V711 PolarHBondContact N-O 3.49Å; G651-V711 VanDerWaalsContact N-O 3.17Å; G651-V711 PolarHBondContact O-N 2.73Å |
| 652 | A | 88.2 | Confident | 84 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 12% | 0.116 | 19% | 0.193 | C | C | . | . | trans | -66.6 | 146.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K622 T654 S655 L656 | K622-A652 HydrophobicContact CB-CB 4.24Å; K622-A652 HydrophobicContact CD-CB 4.26Å; K622-A652 PolarHBondContact O-N 2.9Å; K622-A652 VanDerWaalsContact O-N 3.13Å; A652-T654 VanDerWaalsContact C-N 3.32Å; A652-T654 PolarHBondContact O-N 3.27Å; A652-S655 PolarHBondContact O-N 2.91Å; A652-L656 PolarHBondContact O-N 3.11Å | ||
| 653 | E | 86.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -50 | -48.3 | 173.6 | 68 | -51.1 | 112.9 | 0 | 0 | 112.4 | S655 L656 L657 M696 V699 V711 | E653-S655 PolarHBondContact O-N 3.09Å; E653-S655 VanDerWaalsContact O-N 3.16Å; E653-L656 PolarHBondContact O-N 3.49Å; E653-L657 HydrophobicContact CB-CD1 4.01Å; E653-L657 VanDerWaalsContact O-CB 3.25Å; E653-L657 WeakPolarHBondContact O-CB 3.23Å; E653-L657 WeakPolarHBondContact O-CD1 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.4Å; E653-L657 PolarHBondContact O-N 3.01Å; E653-M696 HydrophobicContact CB-SD 4.44Å; E653-M696 HydrophobicContact CG-SD 4.34Å; E653-V699 HydrophobicContact CB-CG1 4.19Å; E653-V699 HydrophobicContact CG-CG1 4.01Å; E653-V711 HydrophobicContact CB-CG2 3.83Å |
| 654 | T | 85.2 | Confident | 83.1 | Confident | 92 Ų | 92 | 40.1 Ų | 40.1 | 56% | 0.564 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56.1 | -31.4 | 176.6 | 38.7 | 0 | 0 | 0 | 0 | 113.1 | A652 | A652-T654 VanDerWaalsContact C-N 3.32Å; A652-T654 PolarHBondContact O-N 3.27Å |
| 655 | S | 86.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -84.8 | -48.6 | 177.4 | -163.3 | 0 | 0 | 0 | 0 | 111.6 | R621 A652 E653 S658 R659 | R621-S655 PolarHBondContact O-OG 3.16Å; A652-S655 PolarHBondContact O-N 2.91Å; E653-S655 PolarHBondContact O-N 3.09Å; E653-S655 VanDerWaalsContact O-N 3.16Å; S655-S658 PolarHBondContact O-OG 3.49Å; S655-R659 PolarHBondContact O-NH1 2.66Å; S655-R659 PolarHBondContact OG-NH1 3.43Å |
| 656 | L | 89.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.3 | -38.8 | -174.4 | -90 | 69.2 | 0 | 0 | 0 | 113.2 | C623 A652 E653 S658 R659 V660 V711 L755 | C623-L656 HydrophobicContact CB-CD1 3.85Å; A652-L656 PolarHBondContact O-N 3.11Å; E653-L656 PolarHBondContact O-N 3.49Å; L656-S658 VanDerWaalsContact C-N 3.26Å; L656-S658 PolarHBondContact O-N 3.11Å; L656-R659 WeakPolarHBondContact O-CB 3.32Å; L656-R659 PolarHBondContact O-N 3.21Å; L656-V660 WeakPolarHBondContact O-CG2 3.44Å; L656-V660 PolarHBondContact O-N 3.42Å; L656-V711 HydrophobicContact CB-CB 4.44Å; L656-V711 HydrophobicContact CB-CG1 4.26Å; L656-V711 HydrophobicContact CD2-CB 4.03Å; L656-V711 HydrophobicContact CD2-CG1 3.93Å; L656-V711 WeakPolarHBondContact CD2-O 3.17Å; L656-L755 HydrophobicContact CG-CD1 4.27Å |
| 657 | L | 86.2 | Confident | 79.2 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -60.7 | -35.7 | -178.2 | -68.4 | 169.1 | 0 | 0 | 0 | 112.2 | E653 R659 V660 M696 L757 | E653-L657 HydrophobicContact CB-CD1 4.01Å; E653-L657 VanDerWaalsContact O-CB 3.25Å; E653-L657 WeakPolarHBondContact O-CB 3.23Å; E653-L657 WeakPolarHBondContact O-CD1 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.4Å; E653-L657 PolarHBondContact O-N 3.01Å; L657-R659 PolarHBondContact O-N 2.75Å; L657-R659 VanDerWaalsContact O-N 3.11Å; L657-V660 PolarHBondContact O-N 3.06Å; L657-M696 HydrophobicContact CD1-CG 3.66Å; L657-M696 HydrophobicContact CD1-SD 3.34Å; L657-M696 WeakPolarHBondContact CD1-SD 3.32Å; L657-L757 HydrophobicContact CD2-CD1 3.81Å |
| 658 | S | 85.5 | Confident | 77.9 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -64.4 | -11.9 | 174.5 | 73.1 | 0 | 0 | 0 | 0 | 114.9 | S655 L656 | S655-S658 PolarHBondContact O-OG 3.49Å; L656-S658 VanDerWaalsContact C-N 3.26Å; L656-S658 PolarHBondContact O-N 3.11Å |
| 659 | R | 86.8 | Confident | 76.8 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -111.3 | -0.7 | -176 | -67.1 | 168.2 | 169.1 | 82.2 | -15.9 | 113.5 | S655 L656 L657 E752 K754 L755 | S655-R659 PolarHBondContact O-NH1 2.66Å; S655-R659 PolarHBondContact OG-NH1 3.43Å; L656-R659 WeakPolarHBondContact O-CB 3.32Å; L656-R659 PolarHBondContact O-N 3.21Å; L657-R659 PolarHBondContact O-N 2.75Å; L657-R659 VanDerWaalsContact O-N 3.11Å; R659-E752 WeakPolarHBondContact CB-O 3.43Å; R659-E752 IonicContact CZ-OE2 3.25Å; R659-E752 IonicContact NE-OE2 2.71Å; R659-E752 PolarHBondContact NE-OE2 2.84Å; R659-E752 IonicContact NH2-OE2 3.18Å; R659-E752 PolarHBondContact NH2-OE2 2.9Å; R659-K754 WeakPolarHBondContact O-CA 3.47Å; R659-K754 PolarHBondContact O-N 3.01Å; R659-L755 HydrophobicContact CB-CD1 3.97Å; R659-L755 PolarHBondContact O-N 3.03Å |
| 660 | V | 84.1 | Confident | 75.5 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 150 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | L656 L657 L755 L757 | L656-V660 WeakPolarHBondContact O-CG2 3.44Å; L656-V660 PolarHBondContact O-N 3.42Å; L657-V660 PolarHBondContact O-N 3.06Å; V660-L755 WeakPolarHBondContact CA-O 3.28Å; V660-L757 HydrophobicContact CG1-CG 4.36Å; V660-L757 HydrophobicContact CG2-CD1 3.87Å; V660-L757 HydrophobicContact CG2-CD2 3.63Å; V660-L757 HydrophobicContact CG2-CG 3.69Å |
| 661 | N | 70.5 | Confident | 74.2 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 20% | 0.203 | 39% | 0.386 | C | S | . | . | trans | -93.2 | 119.3 | 174.6 | -154.8 | 14.9 | 0 | 0 | 0 | 111.1 | L663 R689 K754 L755 | N661-L663 WeakPolarHBondContact ND2-CD1 3.43Å; N661-L663 PolarHBondContact O-N 3.43Å; N661-R689 PolarHBondContact O-NH2 3.34Å; N661-K754 HydrophobicContact CB-CB 4Å; N661-K754 HydrophobicContact CB-CG 4.45Å; N661-L755 PolarHBondContact N-O 3.11Å; N661-L755 VanDerWaalsContact N-O 3.13Å | ||
| 662 | H | 64.8 | Low | 73.1 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 77% | 0.769 | 40% | 0.395 | S | S | * | . | trans | -73.6 | 3.2 | 174.9 | -66.4 | -76 | 0 | 0 | 0 | 114.1 | E664 | H662-E664 PolarHBondContact O-N 3.31Š| ||
| 663 | L | 57.2 | Low | 72 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | trans | -66.1 | 130.8 | -178.9 | -67.5 | -179.3 | 0 | 0 | 0 | 111.8 | N661 Q665 R689 | N661-L663 WeakPolarHBondContact ND2-CD1 3.43Å; N661-L663 PolarHBondContact O-N 3.43Å; L663-Q665 VanDerWaalsContact C-N 3.35Å; L663-R689 PolarHBondContact O-NH1 2.88Å | ||
| 664 | E | 52.6 | Low | 71.5 | Confident | 175 Ų | 175 | 76.9 Ų | 76.9 | 82% | 0.818 | 41% | 0.407 | S | S | * | . | trans | -84 | -9.2 | 176.7 | -61.3 | 171.1 | 151.4 | 0 | 0 | 112.8 | H662 | H662-E664 PolarHBondContact O-N 3.31Š| ||
| 665 | Q | 56.2 | Low | 70.9 | Confident | 153 Ų | 153 | 74.6 Ų | 74.6 | 72% | 0.715 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -87.9 | 140.3 | -173.7 | -65.4 | -176.5 | -3.4 | 0 | 0 | 112.5 | L663 | L663-Q665 VanDerWaalsContact C-N 3.35Š|
| 666 | P | 58 | Low | 70.5 | Confident | 45 Ų | 45 | 74 Ų | 74 | 29% | 0.292 | 39% | 0.389 | S | S | . | . | trans | -63.9 | 152.2 | 174 | 26.1 | -33.6 | 0 | 0 | 0 | 112 | N668 L686 | P666-N668 PolarHBondContact O-N 3.32Å; P666-N668 VanDerWaalsContact O-N 3.16Å; P666-L686 HydrophobicContact CB-CD1 3.62Å; P666-L686 HydrophobicContact CG-CD1 4.33Å | ||
| 667 | N | 64.8 | Low | 69.6 | Low | 55 Ų | 55 | 74 Ų | 74 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -71.3 | 108.7 | 169.6 | -71 | -40.1 | 0 | 0 | 0 | 109.5 | F669 G682 L716 | N667-F669 HydrophobicContact CB-CD2 3.83Å; N667-F669 HydrophobicContact CB-CE2 4.18Å; N667-F669 PolarHBondContact O-N 3.28Å; N667-G682 PolarHBondContact O-N 3.37Å; N667-G682 VanDerWaalsContact O-N 3.14Å; N667-L716 HydrophobicContact CB-CD1 4.49Å | ||
| 668 | N | 64.4 | Low | 68.9 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 77% | 0.77 | 39% | 0.389 | S | S | * | . | trans | -76.3 | 32.8 | -178.9 | -69.7 | -20.8 | 0 | 0 | 0 | 113.9 | P666 | P666-N668 PolarHBondContact O-N 3.32Å; P666-N668 VanDerWaalsContact O-N 3.16Å | ||
| 669 | F | 69.9 | Low | 68.2 | Low | 68 Ų | 68 | 70.7 Ų | 70.7 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 149 | 172.8 | -61.4 | -62 | 0 | 0 | 0 | 110.7 | L644 N667 L716 T718 | L644-F669 HydrophobicContact CD1-CB 3.76Å; L644-F669 HydrophobicContact CD1-CD1 3.88Å; L644-F669 HydrophobicContact CD1-CD2 3.7Å; L644-F669 HydrophobicContact CD1-CE1 4.41Å; L644-F669 HydrophobicContact CD1-CE2 4.27Å; L644-F669 HydrophobicContact CD1-CG 3.51Å; L644-F669 HydrophobicContact CD2-CD1 4.02Å; L644-F669 HydrophobicContact CD2-CE1 4.14Å; L644-F669 HydrophobicContact CD2-CG 4.49Å; N667-F669 HydrophobicContact CB-CD2 3.83Å; N667-F669 HydrophobicContact CB-CE2 4.18Å; N667-F669 PolarHBondContact O-N 3.28Å; F669-L716 HydrophobicContact CD2-CB 4.11Å; F669-L716 HydrophobicContact CD2-CD1 4.21Å; F669-L716 HydrophobicContact CE2-CB 3.74Å; F669-T718 HydrophobicContact CE1-CG2 4.23Å |
| 670 | K | 65.4 | Low | 67.5 | Low | 187 Ų | 187 | 69.7 Ų | 69.7 | 81% | 0.813 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 148.2 | 169.7 | -64.7 | -177.5 | 179.2 | -178.9 | 0 | 109.3 | Y672 | K670-Y672 WeakPolarHBondContact O-CD1 3.39Å; K670-Y672 WeakPolarHBondContact O-CE1 3.38Å |
| 671 | T | 65.7 | Low | 66.7 | Low | 94 Ų | 94 | 69.1 Ų | 69.1 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 145.9 | 170.2 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | D678 C681 | T671-D678 WeakPolarHBondContact CA-OD1 3.17Å; T671-D678 VanDerWaalsContact CB-CG 3.49Å; T671-D678 WeakPolarHBondContact CB-OD1 3.46Å; T671-D678 HydrophobicContact CG2-CB 3.8Å; T671-C681 HydrophobicContact CG2-CB 3.96Å |
| 672 | Y | 66.8 | Low | 66.3 | Low | 59 Ų | 59 | 68.7 Ų | 68.7 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | trans | -141.9 | 22.2 | -174.9 | 46.3 | -94.6 | 0 | 0 | 0 | 113.6 | F630 L644 K670 D674 D678 | F630-Y672 HydrophobicContact CD1-CD2 4.48Å; L644-Y672 HydrophobicContact CB-CE1 4.17Å; L644-Y672 WeakPolarHBondContact CB-OH 3.4Å; L644-Y672 HydrophobicContact CD1-CE1 3.64Å; L644-Y672 HydrophobicContact CG-CE1 3.62Å; K670-Y672 WeakPolarHBondContact O-CD1 3.39Å; K670-Y672 WeakPolarHBondContact O-CE1 3.38Å; Y672-D674 HydrophobicContact CD2-CB 3.88Å; Y672-D674 HydrophobicContact CE2-CB 3.42Å; Y672-D674 VanDerWaalsContact CE2-CB 3.42Å; Y672-D678 PolarHBondContact N-OD1 2.91Å; Y672-D678 PolarHBondContact N-OD2 2.85Å | ||
| 673 | G | 66.9 | Low | 66.1 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 54% | 0.536 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 88.7 | 9.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F630 D678 | F630-G673 WeakPolarHBondContact CZ-O 3.27Å; G673-D678 VanDerWaalsContact CA-OD2 3.28Å; G673-D678 WeakPolarHBondContact CA-OD2 3.31Å; G673-D678 PolarHBondContact N-OD2 2.84Å |
| 674 | D | 75 | Confident | 66.3 | Low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -87.7 | 114.3 | 178.4 | 175.5 | 8.3 | 0 | 0 | 0 | 110.4 | Y609 F630 L646 Y672 L676 G677 D678 | Y609-D674 PolarHBondContact OH-OD1 3.35Å; F630-D674 HydrophobicContact CB-CB 3.84Å; F630-D674 HydrophobicContact CD1-CB 3.82Å; F630-D674 HydrophobicContact CD2-CB 3.8Å; F630-D674 HydrophobicContact CE1-CB 4.27Å; F630-D674 HydrophobicContact CE2-CB 4.25Å; F630-D674 HydrophobicContact CG-CB 3.55Å; F630-D674 HydrophobicContact CZ-CB 4.48Å; L646-D674 WeakPolarHBondContact CD1-OD2 3.44Å; Y672-D674 HydrophobicContact CD2-CB 3.88Å; Y672-D674 HydrophobicContact CE2-CB 3.42Å; Y672-D674 VanDerWaalsContact CE2-CB 3.42Å; D674-L676 PolarHBondContact O-N 2.92Å; D674-L676 VanDerWaalsContact O-N 3.11Å; D674-L676 PolarHBondContact OD1-N 3.38Å; D674-G677 PolarHBondContact O-N 3.47Å; D674-G677 PolarHBondContact OD1-N 3.29Å; D674-G677 WeakPolarHBondContact OD2-CA 3.36Å; D674-G677 PolarHBondContact OD2-N 3.49Å; D674-G677 VanDerWaalsContact OD2-N 3.1Å; D674-D678 PolarHBondContact N-OD2 2.79Å; D674-D678 WeakPolarHBondContact O-CB 3.38Å; D674-D678 PolarHBondContact O-N 3.03Å | ||
| 675 | P | 73.1 | Confident | 66.7 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 29% | 0.286 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.8 | -176.5 | 25.3 | -34.1 | 0 | 0 | 0 | 113.2 | L499 I602 V607 S679 | L499-P675 HydrophobicContact CD2-CB 4.29Å; L499-P675 HydrophobicContact CD2-CG 4.06Å; I602-P675 HydrophobicContact CD1-CB 4.37Å; I602-P675 HydrophobicContact CD1-CG 3.93Å; V607-P675 HydrophobicContact CG2-CG 4.28Å; P675-S679 PolarHBondContact O-OG 3.32Å |
| 676 | L | 77.9 | Confident | 67.1 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -51.5 | 174.4 | -160.3 | 82.2 | 0 | 0 | 0 | 111.7 | T496 L499 L500 L646 L648 D674 S679 F680 I714 | T496-L676 HydrophobicContact CG2-CD1 3.93Å; T496-L676 WeakPolarHBondContact O-CD1 3.45Å; L499-L676 HydrophobicContact CB-CD1 3.95Å; L499-L676 HydrophobicContact CD2-CB 3.83Å; L499-L676 HydrophobicContact CD2-CD1 3.81Å; L499-L676 HydrophobicContact CD2-CG 4.42Å; L499-L676 HydrophobicContact CG-CD1 3.85Å; L500-L676 HydrophobicContact CB-CD1 4.35Å; L646-L676 HydrophobicContact CD1-CB 4.32Å; L646-L676 HydrophobicContact CD1-CD2 3.92Å; L648-L676 HydrophobicContact CD1-CD2 4.43Å; L648-L676 HydrophobicContact CD2-CD2 3.47Å; L648-L676 VanDerWaalsContact CD2-CD2 3.47Å; D674-L676 PolarHBondContact O-N 2.92Å; D674-L676 VanDerWaalsContact O-N 3.11Å; D674-L676 PolarHBondContact OD1-N 3.38Å; L676-S679 WeakPolarHBondContact O-CB 3Å; L676-F680 WeakPolarHBondContact O-CD2 3.45Å; L676-I714 HydrophobicContact CD2-CD1 3.66Å; L676-I714 HydrophobicContact CG-CD1 4.06Å |
| 677 | G | 70.1 | Confident | 67.7 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -44.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | D674 S679 F680 C681 | D674-G677 PolarHBondContact O-N 3.47Å; D674-G677 PolarHBondContact OD1-N 3.29Å; D674-G677 WeakPolarHBondContact OD2-CA 3.36Å; D674-G677 PolarHBondContact OD2-N 3.49Å; D674-G677 VanDerWaalsContact OD2-N 3.1Å; G677-S679 PolarHBondContact O-N 2.7Å; G677-F680 PolarHBondContact O-N 3.12Å; G677-F680 VanDerWaalsContact O-N 3.1Å; G677-C681 PolarHBondContact O-SG 2.97Å |
| 678 | D | 71.5 | Confident | 68.1 | Low | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65 | -29.8 | -177.7 | -69.9 | -3.9 | 0 | 0 | 0 | 111.7 | T671 Y672 G673 D674 F680 C681 | T671-D678 WeakPolarHBondContact CA-OD1 3.17Å; T671-D678 VanDerWaalsContact CB-CG 3.49Å; T671-D678 WeakPolarHBondContact CB-OD1 3.46Å; T671-D678 HydrophobicContact CG2-CB 3.8Å; Y672-D678 PolarHBondContact N-OD1 2.91Å; Y672-D678 PolarHBondContact N-OD2 2.85Å; G673-D678 VanDerWaalsContact CA-OD2 3.28Å; G673-D678 WeakPolarHBondContact CA-OD2 3.31Å; G673-D678 PolarHBondContact N-OD2 2.84Å; D674-D678 PolarHBondContact N-OD2 2.79Å; D674-D678 WeakPolarHBondContact O-CB 3.38Å; D674-D678 PolarHBondContact O-N 3.03Å; D678-F680 PolarHBondContact O-N 2.93Å; D678-C681 PolarHBondContact O-N 3.11Å; D678-C681 VanDerWaalsContact O-N 3.15Å |
| 679 | S | 70.6 | Confident | 68.8 | Low | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59.8 | -25.2 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | P675 L676 G677 L688 | P675-S679 PolarHBondContact O-OG 3.32Å; L676-S679 WeakPolarHBondContact O-CB 3Å; G677-S679 PolarHBondContact O-N 2.7Å; S679-L688 WeakPolarHBondContact O-CD1 3.44Å |
| 680 | F | 72.8 | Confident | 69.5 | Low | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -107.7 | 10.1 | 179.5 | -62.6 | -73.7 | 0 | 0 | 0 | 114 | T496 L676 G677 D678 L688 I714 L716 I758 | T496-F680 HydrophobicContact CG2-CE2 3.39Å; T496-F680 HydrophobicContact CG2-CZ 3.49Å; T496-F680 VanDerWaalsContact CG2-CZ 3.49Å; L676-F680 WeakPolarHBondContact O-CD2 3.45Å; G677-F680 PolarHBondContact O-N 3.12Å; G677-F680 VanDerWaalsContact O-N 3.1Å; D678-F680 PolarHBondContact O-N 2.93Å; F680-L688 HydrophobicContact CE1-CB 4.01Å; F680-I714 HydrophobicContact CD1-CG2 4.44Å; F680-I714 HydrophobicContact CD2-CD1 4.04Å; F680-I714 HydrophobicContact CD2-CG2 4.07Å; F680-I714 HydrophobicContact CE1-CG2 4.42Å; F680-I714 HydrophobicContact CE2-CD1 4.07Å; F680-I714 HydrophobicContact CE2-CG2 4.05Å; F680-I714 HydrophobicContact CG-CG2 4.28Å; F680-I714 HydrophobicContact CZ-CG2 4.25Å; F680-L716 HydrophobicContact CB-CD1 3.78Å; F680-I758 HydrophobicContact CE1-CD1 4.31Å; F680-I758 HydrophobicContact CE1-CG1 3.88Å; F680-I758 HydrophobicContact CE2-CD1 3.84Å; F680-I758 HydrophobicContact CE2-CG1 4.32Å; F680-I758 HydrophobicContact CZ-CB 4.42Å; F680-I758 HydrophobicContact CZ-CD1 3.46Å; F680-I758 VanDerWaalsContact CZ-CD1 3.46Å; F680-I758 HydrophobicContact CZ-CG1 3.46Å; F680-I758 VanDerWaalsContact CZ-CG1 3.46Å; F680-I758 HydrophobicContact CZ-CG2 4.16Å |
| 681 | C | 66.4 | Low | 70.4 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -94.5 | 139 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | T671 G677 D678 | T671-C681 HydrophobicContact CG2-CB 3.96Å; G677-C681 PolarHBondContact O-SG 2.97Å; D678-C681 PolarHBondContact O-N 3.11Å; D678-C681 VanDerWaalsContact O-N 3.15Å |
| 682 | G | 63.2 | Low | 71.4 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 68 | -160.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N667 N684 G685 | N667-G682 PolarHBondContact O-N 3.37Å; N667-G682 VanDerWaalsContact O-N 3.14Å; G682-N684 VanDerWaalsContact C-N 3.35Å; G682-N684 PolarHBondContact O-N 3.31Å; G682-G685 PolarHBondContact O-N 3.42Å |
| 683 | T | 60 | Low | 72.3 | Confident | 108 Ų | 108 | 49 Ų | 49 | 66% | 0.663 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24.9 | -171.6 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | G685 L686 | T683-G685 PolarHBondContact O-N 3.3Å; T683-L686 PolarHBondContact O-N 2.96Å |
| 684 | N | 60.5 | Low | 73.2 | Confident | 108 Ų | 108 | 50.7 Ų | 50.7 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.2 | -31.7 | 176.1 | -72 | -16.6 | 0 | 0 | 0 | 111.9 | G682 L686 K687 L688 | G682-N684 VanDerWaalsContact C-N 3.35Å; G682-N684 PolarHBondContact O-N 3.31Å; N684-L686 PolarHBondContact O-N 2.92Å; N684-K687 PolarHBondContact O-N 3.05Å; N684-K687 VanDerWaalsContact O-N 3.07Å; N684-L688 PolarHBondContact O-N 3.07Å |
| 685 | G | 61.7 | Low | 73.8 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -26 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G682 T683 R689 | G682-G685 PolarHBondContact O-N 3.42Å; T683-G685 PolarHBondContact O-N 3.3Å; G685-R689 PolarHBondContact O-N 3Å |
| 686 | L | 65.4 | Low | 74.5 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 173.2 | -94.1 | 86.9 | 0 | 0 | 0 | 112.2 | P666 T683 N684 L688 R689 | P666-L686 HydrophobicContact CB-CD1 3.62Å; P666-L686 HydrophobicContact CG-CD1 4.33Å; T683-L686 PolarHBondContact O-N 2.96Å; N684-L686 PolarHBondContact O-N 2.92Å; L686-L688 VanDerWaalsContact C-N 3.26Å; L686-L688 PolarHBondContact O-N 3.24Å; L686-R689 PolarHBondContact O-N 3.42Å |
| 687 | K | 69 | Low | 75 | Confident | 146 Ų | 146 | 59.6 Ų | 59.6 | 64% | 0.635 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.7 | -20.6 | -180 | -64.6 | -175.1 | 177.4 | -178.3 | 0 | 113.1 | S428 N684 | S428-K687 WeakPolarHBondContact CB-O 3.17Å; S428-K687 PolarHBondContact OG-O 2.74Å; N684-K687 PolarHBondContact O-N 3.05Å; N684-K687 VanDerWaalsContact O-N 3.07Å |
| 688 | L | 73.3 | Confident | 75.8 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -7.5 | -179.4 | -71.4 | 163.1 | 0 | 0 | 0 | 113.4 | S493 S679 F680 N684 L686 | S493-L688 VanDerWaalsContact CA-CD2 3.46Å; S679-L688 WeakPolarHBondContact O-CD1 3.44Å; F680-L688 HydrophobicContact CE1-CB 4.01Å; N684-L688 PolarHBondContact O-N 3.07Å; L686-L688 VanDerWaalsContact C-N 3.26Å; L686-L688 PolarHBondContact O-N 3.24Å |
| 689 | R | 80.2 | Confident | 76.6 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -79 | 135.7 | 173.8 | 170.6 | -178.8 | 169.3 | 151.1 | 0.5 | 109.7 | S428 N661 L663 G685 L686 D691 T756 L757 | S428-R689 WeakPolarHBondContact CB-O 3.47Å; N661-R689 PolarHBondContact O-NH2 3.34Å; L663-R689 PolarHBondContact O-NH1 2.88Å; G685-R689 PolarHBondContact O-N 3Å; L686-R689 PolarHBondContact O-N 3.42Å; R689-D691 IonicContact CZ-OD1 3.11Å; R689-D691 IonicContact NE-OD1 2.93Å; R689-D691 PolarHBondContact NE-OD1 3.24Å; R689-D691 IonicContact NH2-OD1 3.5Å; R689-T756 HydrophobicContact CB-CG2 4.21Å; R689-T756 HydrophobicContact CG-CG2 4.22Å; R689-L757 WeakPolarHBondContact CA-O 3.37Å |
| 690 | M | 84.3 | Confident | 77.2 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 141.9 | 159.7 | -72.4 | -172.4 | 70.3 | 0 | 0 | 110.1 | A426 S428 Q694 V695 Q698 L757 | A426-M690 HydrophobicContact CB-CE 4.46Å; A426-M690 HydrophobicContact CB-SD 4.48Å; S428-M690 VanDerWaalsContact N-CG 3.32Å; M690-Q694 HydrophobicContact CE-CB 3.89Å; M690-V695 HydrophobicContact CB-CG2 3.53Å; M690-V695 HydrophobicContact CE-CG2 3.98Å; M690-V695 HydrophobicContact CG-CG2 4.43Å; M690-V695 HydrophobicContact SD-CG2 4.14Å; M690-Q698 HydrophobicContact CE-CG 4.06Å; M690-L757 PolarHBondContact N-O 3.46Å; M690-L757 VanDerWaalsContact N-O 3.11Å |
| 691 | D | 85 | Confident | 77.6 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 157.6 | 173.6 | -69.6 | -45.6 | 0 | 0 | 0 | 112.4 | R689 E693 Q694 V695 | R689-D691 IonicContact CZ-OD1 3.11Å; R689-D691 IonicContact NE-OD1 2.93Å; R689-D691 PolarHBondContact NE-OD1 3.24Å; R689-D691 IonicContact NH2-OD1 3.5Å; D691-E693 PolarHBondContact O-N 3.21Å; D691-Q694 HydrophobicContact CB-CG 4.31Å; D691-Q694 WeakPolarHBondContact O-CB 3.2Å; D691-Q694 PolarHBondContact O-N 2.83Å; D691-Q694 VanDerWaalsContact O-N 3.08Å; D691-V695 WeakPolarHBondContact O-CG2 3.29Å; D691-V695 PolarHBondContact O-N 3.37Å |
| 692 | S | 85.7 | Confident | 78.4 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | -174.6 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | M696 | S692-M696 WeakPolarHBondContact O-CB 3.27Å; S692-M696 WeakPolarHBondContact O-CG 3.33Å; S692-M696 PolarHBondContact O-N 3.46Å |
| 693 | E | 86 | Confident | 79 | Confident | 169 Ų | 169 | 64.5 Ų | 64.5 | 79% | 0.79 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 175.4 | -62.3 | -175.2 | 173.1 | 0 | 0 | 112.4 | D691 M696 K697 | D691-E693 PolarHBondContact O-N 3.21Å; E693-M696 PolarHBondContact O-N 3.42Å; E693-K697 WeakPolarHBondContact O-CB 3.12Å; E693-K697 PolarHBondContact O-N 3.12Å |
| 694 | Q | 85.4 | Confident | 79.5 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.7 | -63.7 | 174.1 | -6.5 | 0 | 0 | 110.9 | M690 D691 K697 Q698 | M690-Q694 HydrophobicContact CE-CB 3.89Å; D691-Q694 HydrophobicContact CB-CG 4.31Å; D691-Q694 WeakPolarHBondContact O-CB 3.2Å; D691-Q694 PolarHBondContact O-N 2.83Å; D691-Q694 VanDerWaalsContact O-N 3.08Å; Q694-K697 PolarHBondContact O-N 3.08Å; Q694-Q698 WeakPolarHBondContact O-CG 3.46Å; Q694-Q698 PolarHBondContact O-N 3.07Å |
| 695 | V | 88.6 | Confident | 80 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | M690 D691 K697 Q698 V699 V711 L757 | M690-V695 HydrophobicContact CB-CG2 3.53Å; M690-V695 HydrophobicContact CE-CG2 3.98Å; M690-V695 HydrophobicContact CG-CG2 4.43Å; M690-V695 HydrophobicContact SD-CG2 4.14Å; D691-V695 WeakPolarHBondContact O-CG2 3.29Å; D691-V695 PolarHBondContact O-N 3.37Å; V695-K697 PolarHBondContact O-N 3.33Å; V695-Q698 PolarHBondContact O-N 3.49Å; V695-V699 HydrophobicContact CG1-CG2 3.96Å; V695-V699 VanDerWaalsContact O-CB 3.28Å; V695-V699 WeakPolarHBondContact O-CB 3.24Å; V695-V699 VanDerWaalsContact O-CG2 3.25Å; V695-V699 WeakPolarHBondContact O-CG2 3.42Å; V695-V699 PolarHBondContact O-N 3.37Å; V695-V711 HydrophobicContact CG1-CG1 4.01Å; V695-V711 HydrophobicContact CG1-CG2 3.8Å; V695-L757 HydrophobicContact CB-CD1 4.25Å; V695-L757 HydrophobicContact CG2-CB 4.33Å; V695-L757 HydrophobicContact CG2-CD1 3.8Å |
| 696 | M | 87.8 | Confident | 80.5 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 39% | 0.389 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.5 | -81.9 | -61.3 | -63.2 | 0 | 0 | 113 | E653 L657 S692 E693 T700 | E653-M696 HydrophobicContact CB-SD 4.44Å; E653-M696 HydrophobicContact CG-SD 4.34Å; L657-M696 HydrophobicContact CD1-CG 3.66Å; L657-M696 HydrophobicContact CD1-SD 3.34Å; L657-M696 WeakPolarHBondContact CD1-SD 3.32Å; S692-M696 WeakPolarHBondContact O-CB 3.27Å; S692-M696 WeakPolarHBondContact O-CG 3.33Å; S692-M696 PolarHBondContact O-N 3.46Å; E693-M696 PolarHBondContact O-N 3.42Å; M696-T700 VanDerWaalsContact O-CB 3.3Å; M696-T700 WeakPolarHBondContact O-CB 3.21Å; M696-T700 PolarHBondContact O-N 3.37Å; M696-T700 PolarHBondContact O-OG1 3.29Å |
| 697 | K | 87.9 | Confident | 81.3 | Confident | 151 Ų | 151 | 58.4 Ų | 58.4 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.8 | -50.2 | 173.9 | -175.9 | -179.5 | 178.5 | -177.3 | 0 | 110.8 | E693 Q694 V695 T700 E701 | E693-K697 WeakPolarHBondContact O-CB 3.12Å; E693-K697 PolarHBondContact O-N 3.12Å; Q694-K697 PolarHBondContact O-N 3.08Å; V695-K697 PolarHBondContact O-N 3.33Å; K697-T700 PolarHBondContact O-N 3.47Å; K697-E701 PolarHBondContact O-N 3.5Å |
| 698 | Q | 87.6 | Confident | 81.9 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | -178 | -68.2 | -60.2 | -24 | 0 | 0 | 113.2 | A426 V431 M690 Q694 V695 T700 E701 F702 | A426-Q698 HydrophobicContact CB-CB 4.04Å; A426-Q698 HydrophobicContact CB-CG 3.93Å; V431-Q698 VanDerWaalsContact CG2-CD 3.46Å; M690-Q698 HydrophobicContact CE-CG 4.06Å; Q694-Q698 WeakPolarHBondContact O-CG 3.46Å; Q694-Q698 PolarHBondContact O-N 3.07Å; V695-Q698 PolarHBondContact O-N 3.49Å; Q698-T700 VanDerWaalsContact C-N 3.33Å; Q698-T700 PolarHBondContact O-N 3.21Å; Q698-E701 PolarHBondContact O-N 2.95Å; Q698-F702 WeakPolarHBondContact O-CB 3.36Å; Q698-F702 WeakPolarHBondContact O-CD1 3.48Å; Q698-F702 WeakPolarHBondContact O-CG 3.3Å; Q698-F702 PolarHBondContact O-N 2.93Å |
| 699 | V | 86.7 | Confident | 82.6 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 173.2 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | E653 V695 F702 A703 T709 V711 C760 | E653-V699 HydrophobicContact CB-CG1 4.19Å; E653-V699 HydrophobicContact CG-CG1 4.01Å; V695-V699 HydrophobicContact CG1-CG2 3.96Å; V695-V699 VanDerWaalsContact O-CB 3.28Å; V695-V699 WeakPolarHBondContact O-CB 3.24Å; V695-V699 VanDerWaalsContact O-CG2 3.25Å; V695-V699 WeakPolarHBondContact O-CG2 3.42Å; V695-V699 PolarHBondContact O-N 3.37Å; V699-F702 PolarHBondContact O-N 2.91Å; V699-A703 WeakPolarHBondContact O-CB 3.4Å; V699-A703 PolarHBondContact O-N 3.09Å; V699-T709 HydrophobicContact CB-CG2 4.4Å; V699-T709 HydrophobicContact CG1-CG2 4.04Å; V699-T709 HydrophobicContact CG2-CG2 4.49Å; V699-V711 HydrophobicContact CG2-CG2 3.88Å; V699-C760 HydrophobicContact CG2-CB 3.89Å |
| 700 | T | 82.8 | Confident | 83.1 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | M696 K697 Q698 T704 | M696-T700 VanDerWaalsContact O-CB 3.3Å; M696-T700 WeakPolarHBondContact O-CB 3.21Å; M696-T700 PolarHBondContact O-N 3.37Å; M696-T700 PolarHBondContact O-OG1 3.29Å; K697-T700 PolarHBondContact O-N 3.47Å; Q698-T700 VanDerWaalsContact C-N 3.33Å; Q698-T700 PolarHBondContact O-N 3.21Å; T700-T704 WeakPolarHBondContact O-CB 3.36Å; T700-T704 PolarHBondContact O-N 2.72Å; T700-T704 PolarHBondContact O-OG1 3.04Å |
| 701 | E | 81.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.2 | -168.1 | -164.9 | 131 | 0 | 0 | 111.7 | R424 K697 Q698 A703 T704 L705 | R424-E701 IonicContact NH1-OE1 3.87Å; R424-E701 PolarHBondContact NH1-OE1 3.36Å; K697-E701 PolarHBondContact O-N 3.5Å; Q698-E701 PolarHBondContact O-N 2.95Å; E701-A703 VanDerWaalsContact C-N 3.33Å; E701-A703 PolarHBondContact O-N 3.29Å; E701-T704 PolarHBondContact O-N 3.47Å; E701-L705 WeakPolarHBondContact O-CG 3.44Å; E701-L705 PolarHBondContact O-N 2.94Å |
| 702 | F | 84.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 179.6 | -72.4 | 10.9 | 0 | 0 | 0 | 111.6 | R424 A426 V431 Q698 V699 L705 G706 L707 T709 | R424-F702 HydrophobicContact CB-CD1 4.45Å; R424-F702 HydrophobicContact CB-CD2 4.39Å; R424-F702 HydrophobicContact CB-CE1 3.96Å; R424-F702 HydrophobicContact CB-CE2 3.87Å; R424-F702 HydrophobicContact CB-CZ 3.63Å; A426-F702 HydrophobicContact CB-CE2 4.39Å; A426-F702 HydrophobicContact CB-CZ 3.95Å; V431-F702 HydrophobicContact CG1-CE1 3.86Å; V431-F702 HydrophobicContact CG1-CZ 4.02Å; Q698-F702 WeakPolarHBondContact O-CB 3.36Å; Q698-F702 WeakPolarHBondContact O-CD1 3.48Å; Q698-F702 WeakPolarHBondContact O-CG 3.3Å; Q698-F702 PolarHBondContact O-N 2.93Å; V699-F702 PolarHBondContact O-N 2.91Å; F702-L705 PolarHBondContact O-N 3.21Å; F702-G706 PolarHBondContact O-N 3.23Å; F702-L707 HydrophobicContact CB-CB 4.33Å; F702-L707 HydrophobicContact CB-CD1 4.31Å; F702-L707 HydrophobicContact CG-CD1 4.36Å; F702-L707 VanDerWaalsContact O-CB 3.31Å; F702-L707 WeakPolarHBondContact O-CB 3.43Å; F702-L707 PolarHBondContact O-N 3.11Å; F702-T709 HydrophobicContact CB-CG2 3.52Å; F702-T709 HydrophobicContact CD2-CG2 4.4Å; F702-T709 HydrophobicContact CG-CG2 4.49Å |
| 703 | A | 75.5 | Confident | 84.1 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V699 E701 L705 G706 | V699-A703 WeakPolarHBondContact O-CB 3.4Å; V699-A703 PolarHBondContact O-N 3.09Å; E701-A703 VanDerWaalsContact C-N 3.33Å; E701-A703 PolarHBondContact O-N 3.29Å; A703-L705 PolarHBondContact O-N 3.01Å; A703-G706 WeakPolarHBondContact O-CA 3.47Å; A703-G706 PolarHBondContact O-N 3.48Å |
| 704 | T | 69.2 | Low | 84.3 | Confident | 104 Ų | 104 | 39.2 Ų | 39.2 | 64% | 0.638 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.1 | -30.5 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | T700 E701 G706 | T700-T704 WeakPolarHBondContact O-CB 3.36Å; T700-T704 PolarHBondContact O-N 2.72Å; T700-T704 PolarHBondContact O-OG1 3.04Å; E701-T704 PolarHBondContact O-N 3.47Å; T704-G706 PolarHBondContact O-N 3.21Å |
| 705 | L | 71.5 | Confident | 84.4 | Confident | 68 Ų | 68 | 36.8 Ų | 36.8 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 0.7 | 172.9 | -63.2 | 170 | 0 | 0 | 0 | 113.6 | R424 E701 F702 A703 L707 | R424-L705 VanDerWaalsContact NH1-CD1 3.29Å; E701-L705 WeakPolarHBondContact O-CG 3.44Å; E701-L705 PolarHBondContact O-N 2.94Å; F702-L705 PolarHBondContact O-N 3.21Å; A703-L705 PolarHBondContact O-N 3.01Å; L705-L707 VanDerWaalsContact C-N 3.31Å; L705-L707 HydrophobicContact CB-CG 4.27Å |
| 706 | G | 72 | Confident | 84.4 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 11.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F702 A703 T704 N798 | F702-G706 PolarHBondContact O-N 3.23Å; A703-G706 WeakPolarHBondContact O-CA 3.47Å; A703-G706 PolarHBondContact O-N 3.48Å; T704-G706 PolarHBondContact O-N 3.21Å; G706-N798 WeakPolarHBondContact O-CB 3.42Å |
| 707 | L | 82.2 | Confident | 84.3 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | trans | -75.1 | 137.3 | 176 | -54.6 | 178 | 0 | 0 | 0 | 110.2 | R423 R424 F702 L705 T709 I763 E764 N798 | R423-L707 HydrophobicContact CB-CD1 4.43Å; R423-L707 HydrophobicContact CB-CD2 4.07Å; R423-L707 HydrophobicContact CG-CD2 4.27Å; R424-L707 HydrophobicContact CB-CD1 4.07Å; R424-L707 HydrophobicContact CG-CD1 3.96Å; F702-L707 HydrophobicContact CB-CB 4.33Å; F702-L707 HydrophobicContact CB-CD1 4.31Å; F702-L707 HydrophobicContact CG-CD1 4.36Å; F702-L707 VanDerWaalsContact O-CB 3.31Å; F702-L707 WeakPolarHBondContact O-CB 3.43Å; F702-L707 PolarHBondContact O-N 3.11Å; L705-L707 VanDerWaalsContact C-N 3.31Å; L705-L707 HydrophobicContact CB-CG 4.27Å; L707-T709 PolarHBondContact O-N 3.07Å; L707-I763 CarbonylContact C-O 3.58Å; L707-I763 WeakPolarHBondContact CA-O 3.08Å; L707-E764 HydrophobicContact CD2-CB 3.75Å; L707-E764 HydrophobicContact CD2-CG 4.35Å; L707-N798 PolarHBondContact O-ND2 3.39Å; L707-N798 VanDerWaalsContact O-ND2 3.11Å | ||
| 708 | R | 82.6 | Confident | 84.3 | Confident | 64 Ų | 64 | 29.7 Ų | 29.7 | 24% | 0.242 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 114.2 | 166.5 | 179.8 | 178 | -112.1 | 168.6 | 11.5 | 108.6 | D574 I763 T795 | D574-R708 IonicContact OD2-NH1 2.72Å; R708-I763 PolarHBondContact N-O 3.05Å; R708-I763 PolarHBondContact O-N 3.25Å; R708-T795 PolarHBondContact NH2-OG1 3.18Å |
| 709 | T | 88 | Confident | 84.2 | Confident | 18 Ų | 18 | 30.1 Ų | 30.1 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 135.8 | 178.8 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | V699 F702 L707 T761 | V699-T709 HydrophobicContact CB-CG2 4.4Å; V699-T709 HydrophobicContact CG1-CG2 4.04Å; V699-T709 HydrophobicContact CG2-CG2 4.49Å; F702-T709 HydrophobicContact CB-CG2 3.52Å; F702-T709 HydrophobicContact CD2-CG2 4.4Å; F702-T709 HydrophobicContact CG-CG2 4.49Å; L707-T709 PolarHBondContact O-N 3.07Å; T709-T761 WeakPolarHBondContact CA-O 3.33Å |
| 710 | L | 90.7 | Very high | 84.2 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.9 | 165.5 | -72.1 | 172.4 | 0 | 0 | 0 | 109 | F578 M712 C760 T761 | F578-L710 HydrophobicContact CE2-CD1 3.66Å; F578-L710 HydrophobicContact CZ-CD1 3.76Å; L710-M712 HydrophobicContact CB-CE 3.73Å; L710-C760 CarbonylContact O-C 3.53Å; L710-C760 VanDerWaalsContact O-CA 3.27Å; L710-C760 WeakPolarHBondContact O-CA 3.45Å; L710-T761 PolarHBondContact N-O 3.09Å; L710-T761 PolarHBondContact O-N 2.99Å; L710-T761 PolarHBondContact O-OG1 2.79Å |
| 711 | V | 92.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 144.3 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | K650 G651 E653 L656 V695 V699 L757 C760 | K650-V711 WeakPolarHBondContact CA-O 3.46Å; G651-V711 PolarHBondContact N-O 3.49Å; G651-V711 VanDerWaalsContact N-O 3.17Å; G651-V711 PolarHBondContact O-N 2.73Å; E653-V711 HydrophobicContact CB-CG2 3.83Å; L656-V711 HydrophobicContact CB-CB 4.44Å; L656-V711 HydrophobicContact CB-CG1 4.26Å; L656-V711 HydrophobicContact CD2-CB 4.03Å; L656-V711 HydrophobicContact CD2-CG1 3.93Å; L656-V711 WeakPolarHBondContact CD2-O 3.17Å; V695-V711 HydrophobicContact CG1-CG1 4.01Å; V695-V711 HydrophobicContact CG1-CG2 3.8Å; V699-V711 HydrophobicContact CG2-CG2 3.88Å; V711-L757 HydrophobicContact CG1-CD2 3.82Å; V711-C760 HydrophobicContact CG2-CB 4.28Å |
| 712 | M | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.6 | 179.2 | -57.9 | -62.6 | 151.4 | 0 | 0 | 110.1 | L497 L500 L501 F578 K650 L710 I758 G759 T761 | L497-M712 HydrophobicContact CD1-CB 3.85Å; L497-M712 HydrophobicContact CD1-CG 3.75Å; L500-M712 HydrophobicContact CD1-CB 4.4Å; L500-M712 HydrophobicContact CD2-CB 4.01Å; L500-M712 HydrophobicContact CD2-CG 4.03Å; L500-M712 HydrophobicContact CD2-SD 3.61Å; L501-M712 HydrophobicContact CD2-CE 3.58Å; L501-M712 HydrophobicContact CD2-CG 4.47Å; L501-M712 HydrophobicContact CD2-SD 3.93Å; F578-M712 HydrophobicContact CZ-CE 4.18Å; K650-M712 HydrophobicContact CB-CE 3.79Å; K650-M712 HydrophobicContact CB-SD 3.38Å; K650-M712 WeakPolarHBondContact CB-SD 3.46Å; L710-M712 HydrophobicContact CB-CE 3.73Å; M712-I758 PolarHBondContact O-N 2.98Å; M712-G759 PolarHBondContact N-O 3.37Å; M712-T761 HydrophobicContact CE-CG2 4.45Å |
| 713 | G | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C649 T756 | C649-G713 PolarHBondContact N-O 3Å; C649-G713 PolarHBondContact O-N 2.76Å; C649-G713 VanDerWaalsContact O-O 3.14Å; G713-T756 CarbonylContact C-O 3.45Å; G713-T756 VanDerWaalsContact CA-O 3.25Å; G713-T756 WeakPolarHBondContact CA-O 3.17Å |
| 714 | I | 90.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.8 | 174.7 | -166.5 | 162.4 | 0 | 0 | 0 | 110.5 | L646 I647 L648 L676 F680 T756 I758 | L646-I714 HydrophobicContact CD2-CD1 4.18Å; I647-I714 WeakPolarHBondContact O-CA 3.14Å; L648-I714 HydrophobicContact CD2-CD1 3.79Å; L648-I714 HydrophobicContact CD2-CG1 3.97Å; L676-I714 HydrophobicContact CD2-CD1 3.66Å; L676-I714 HydrophobicContact CG-CD1 4.06Å; F680-I714 HydrophobicContact CD1-CG2 4.44Å; F680-I714 HydrophobicContact CD2-CD1 4.04Å; F680-I714 HydrophobicContact CD2-CG2 4.07Å; F680-I714 HydrophobicContact CE1-CG2 4.42Å; F680-I714 HydrophobicContact CE2-CD1 4.07Å; F680-I714 HydrophobicContact CE2-CG2 4.05Å; F680-I714 HydrophobicContact CG-CG2 4.28Å; F680-I714 HydrophobicContact CZ-CG2 4.25Å; I714-T756 PolarHBondContact N-O 3.43Å; I714-T756 PolarHBondContact O-N 3.28Å; I714-I758 HydrophobicContact CB-CD1 3.68Å; I714-I758 HydrophobicContact CG2-CD1 3.59Å; I714-I758 HydrophobicContact CG2-CG1 3.99Å |
| 715 | R | 88.7 | Confident | 87.3 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.5 | 166.9 | -178.5 | -165.6 | -173.5 | 173.2 | 2.4 | 109.8 | I647 I717 E750 I751 K753 L755 | I647-R715 HydrophobicContact CB-CB 4.23Å; I647-R715 PolarHBondContact N-O 2.9Å; I647-R715 PolarHBondContact O-N 3.03Å; R715-I717 HydrophobicContact CG-CG2 3.98Å; R715-E750 PolarHBondContact NH1-O 3.45Å; R715-I751 VanDerWaalsContact NH1-C 3.33Å; R715-I751 PolarHBondContact NH1-O 3.25Å; R715-K753 WeakPolarHBondContact CD-O 3.36Å; R715-K753 PolarHBondContact NE-O 2.96Å; R715-K753 VanDerWaalsContact NE-O 3.1Å; R715-K753 PolarHBondContact NH1-O 2.93Å; R715-L755 HydrophobicContact CB-CD2 4.02Å |
| 716 | L | 87 | Confident | 88.2 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.4 | 171 | -71.2 | 159.5 | 0 | 0 | 0 | 109.2 | L644 L646 N667 F669 F680 | L644-L716 HydrophobicContact CB-CD2 4.44Å; L644-L716 HydrophobicContact CD1-CB 4.43Å; L644-L716 HydrophobicContact CD1-CD2 3.88Å; L646-L716 HydrophobicContact CD2-CD2 3.5Å; N667-L716 HydrophobicContact CB-CD1 4.49Å; F669-L716 HydrophobicContact CD2-CB 4.11Å; F669-L716 HydrophobicContact CD2-CD1 4.21Å; F669-L716 HydrophobicContact CE2-CB 3.74Å; F680-L716 HydrophobicContact CB-CD1 3.78Å |
| 717 | I | 87.2 | Confident | 89.3 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 157.2 | 171.3 | 62.4 | 172.2 | 0 | 0 | 0 | 111.7 | V645 I647 R715 W722 L725 | V645-I717 HydrophobicContact CB-CG1 3.94Å; V645-I717 HydrophobicContact CG1-CD1 4.42Å; V645-I717 HydrophobicContact CG1-CG1 4.2Å; V645-I717 PolarHBondContact N-O 2.85Å; V645-I717 PolarHBondContact O-N 3.13Å; V645-I717 VanDerWaalsContact O-N 3.1Å; I647-I717 HydrophobicContact CD1-CD1 3.52Å; I647-I717 HydrophobicContact CD1-CG1 4.07Å; I647-I717 HydrophobicContact CD1-CG2 4.5Å; I647-I717 HydrophobicContact CG1-CD1 4.37Å; R715-I717 HydrophobicContact CG-CG2 3.98Å; I717-W722 HydrophobicContact CD1-CB 3.74Å; I717-W722 HydrophobicContact CD1-CE3 4.12Å; I717-W722 HydrophobicContact CG1-CB 4.43Å; I717-L725 HydrophobicContact CD1-CD1 4.1Å |
| 718 | T | 87.3 | Confident | 89.7 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | trans | -73.9 | 153.8 | 171 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | L644 F669 E720 K721 W722 | L644-T718 HydrophobicContact CD2-CG2 4.22Å; F669-T718 HydrophobicContact CE1-CG2 4.23Å; T718-E720 PolarHBondContact O-N 2.79Å; T718-K721 PolarHBondContact O-N 2.98Å; T718-K721 VanDerWaalsContact O-N 3.12Å; T718-W722 PolarHBondContact O-N 3.33Å | ||
| 719 | I | 85.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -36 | 178.3 | -169.4 | 61.2 | 0 | 0 | 0 | 112.7 | L641 V645 K721 W722 N723 | L641-I719 WeakPolarHBondContact O-CG2 3.36Å; V645-I719 HydrophobicContact CG2-CD1 3.7Å; I719-K721 PolarHBondContact O-N 3.25Å; I719-W722 WeakPolarHBondContact O-CB 3.33Å; I719-W722 PolarHBondContact O-N 2.75Å; I719-N723 VanDerWaalsContact O-CG 3.25Å; I719-N723 PolarHBondContact O-N 3.45Å; I719-N723 PolarHBondContact O-ND2 2.8Å |
| 720 | E | 87 | Confident | 90.3 | Very high | 153 Ų | 153 | 43.6 Ų | 43.6 | 72% | 0.715 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.6 | -46 | 175.8 | -61.7 | 176.3 | 163.5 | 0 | 0 | 111.5 | T718 W722 N723 E724 | T718-E720 PolarHBondContact O-N 2.79Å; E720-W722 VanDerWaalsContact C-N 3.34Å; E720-N723 PolarHBondContact O-N 3.42Å; E720-E724 PolarHBondContact O-N 2.81Å; E720-E724 VanDerWaalsContact O-N 3.13Å |
| 721 | K | 89.1 | Confident | 90.3 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.8 | -33 | 179.4 | -169.7 | 62 | -175.7 | 177.1 | 0 | 111.8 | T718 I719 E724 L725 | T718-K721 PolarHBondContact O-N 2.98Å; T718-K721 VanDerWaalsContact O-N 3.12Å; I719-K721 PolarHBondContact O-N 3.25Å; K721-E724 WeakPolarHBondContact CD-OE2 3.39Å; K721-E724 IonicContact NZ-OE1 3.98Å; K721-E724 PolarHBondContact NZ-OE1 3.4Å; K721-E724 IonicContact NZ-OE2 2.65Å; K721-E724 PolarHBondContact NZ-OE2 2.75Å; K721-L725 HydrophobicContact CG-CD1 4.49Å; K721-L725 WeakPolarHBondContact O-CG 3.38Å; K721-L725 PolarHBondContact O-N 3.28Å |
| 722 | W | 92 | Very high | 90.1 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 170.5 | 173.1 | -113.4 | 0 | 0 | 0 | 111.6 | L612 D613 V627 V645 I717 T718 I719 E720 E724 L725 K726 I751 | L612-W722 HydrophobicContact CB-CZ2 4.2Å; D613-W722 HydrophobicContact CB-CH2 3.88Å; D613-W722 HydrophobicContact CB-CZ2 3.87Å; V627-W722 HydrophobicContact CB-CH2 3.97Å; V627-W722 HydrophobicContact CB-CZ2 4.27Å; V627-W722 HydrophobicContact CB-CZ3 4.29Å; V627-W722 HydrophobicContact CG1-CD2 4.07Å; V627-W722 HydrophobicContact CG1-CE3 3.94Å; V627-W722 HydrophobicContact CG1-CH2 3.8Å; V627-W722 HydrophobicContact CG1-CZ2 3.91Å; V627-W722 HydrophobicContact CG1-CZ3 3.81Å; V627-W722 HydrophobicContact CG2-CH2 3.73Å; V627-W722 HydrophobicContact CG2-CZ3 3.85Å; V645-W722 HydrophobicContact CB-CB 4.22Å; V645-W722 HydrophobicContact CB-CG 4.45Å; V645-W722 HydrophobicContact CG1-CB 4.21Å; V645-W722 HydrophobicContact CG1-CD2 4.17Å; V645-W722 HydrophobicContact CG1-CE3 4.49Å; V645-W722 HydrophobicContact CG1-CG 4.02Å; V645-W722 HydrophobicContact CG2-CB 3.98Å; V645-W722 HydrophobicContact CG2-CG 4.12Å; I717-W722 HydrophobicContact CD1-CB 3.74Å; I717-W722 HydrophobicContact CD1-CE3 4.12Å; I717-W722 HydrophobicContact CG1-CB 4.43Å; T718-W722 PolarHBondContact O-N 3.33Å; I719-W722 WeakPolarHBondContact O-CB 3.33Å; I719-W722 PolarHBondContact O-N 2.75Å; E720-W722 VanDerWaalsContact C-N 3.34Å; W722-E724 PolarHBondContact O-N 3.15Å; W722-L725 PolarHBondContact O-N 3.46Å; W722-K726 HydrophobicContact CZ2-CB 4.36Å; W722-K726 HydrophobicContact CZ2-CD 4.26Å; W722-K726 WeakPolarHBondContact O-CB 3.35Å; W722-K726 PolarHBondContact O-N 3.38Å; W722-I751 HydrophobicContact CZ3-CD1 4.42Å; W722-I751 HydrophobicContact CZ3-CG2 4.28Å |
| 723 | N | 91.7 | Very high | 90 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 179.2 | -70.3 | -23.8 | 0 | 0 | 0 | 112.3 | I719 E720 K726 I727 | I719-N723 VanDerWaalsContact O-CG 3.25Å; I719-N723 PolarHBondContact O-N 3.45Å; I719-N723 PolarHBondContact O-ND2 2.8Å; E720-N723 PolarHBondContact O-N 3.42Å; N723-K726 PolarHBondContact O-N 3.04Å; N723-I727 VanDerWaalsContact O-CG1 3.3Å; N723-I727 WeakPolarHBondContact O-CG1 3.14Å; N723-I727 PolarHBondContact O-N 3.24Å |
| 724 | E | 92.5 | Very high | 89.8 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 172.4 | -172.9 | -154.2 | 127.3 | 0 | 0 | 112.1 | E720 K721 W722 I727 K728 | E720-E724 PolarHBondContact O-N 2.81Å; E720-E724 VanDerWaalsContact O-N 3.13Å; K721-E724 WeakPolarHBondContact CD-OE2 3.39Å; K721-E724 IonicContact NZ-OE1 3.98Å; K721-E724 PolarHBondContact NZ-OE1 3.4Å; K721-E724 IonicContact NZ-OE2 2.65Å; K721-E724 PolarHBondContact NZ-OE2 2.75Å; W722-E724 PolarHBondContact O-N 3.15Å; E724-I727 PolarHBondContact O-N 3.03Å; E724-K728 PolarHBondContact O-N 3.09Å; E724-K728 IonicContact OE1-NZ 2.71Å; E724-K728 PolarHBondContact OE1-NZ 3.16Å; E724-K728 VanDerWaalsContact OE1-NZ 3.11Å |
| 725 | L | 92.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 179 | -69.8 | 169.2 | 0 | 0 | 0 | 111.8 | I717 K721 W722 K728 L729 E750 I751 | I717-L725 HydrophobicContact CD1-CD1 4.1Å; K721-L725 HydrophobicContact CG-CD1 4.49Å; K721-L725 WeakPolarHBondContact O-CG 3.38Å; K721-L725 PolarHBondContact O-N 3.28Å; W722-L725 PolarHBondContact O-N 3.46Å; L725-K728 WeakPolarHBondContact O-CB 3.37Å; L725-K728 PolarHBondContact O-N 3.45Å; L725-L729 PolarHBondContact O-N 2.84Å; L725-E750 HydrophobicContact CD2-CB 3.76Å; L725-I751 HydrophobicContact CB-CG1 4.04Å; L725-I751 HydrophobicContact CD1-CG1 4.27Å; L725-I751 HydrophobicContact CD2-CG1 4.28Å; L725-I751 HydrophobicContact CG-CG1 4.44Å |
| 726 | K | 92.3 | Very high | 89.3 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 177.4 | -177.7 | 165.5 | -178.5 | 165.3 | 0 | 112 | W722 N723 K728 L729 D730 | W722-K726 HydrophobicContact CZ2-CB 4.36Å; W722-K726 HydrophobicContact CZ2-CD 4.26Å; W722-K726 WeakPolarHBondContact O-CB 3.35Å; W722-K726 PolarHBondContact O-N 3.38Å; N723-K726 PolarHBondContact O-N 3.04Å; K726-K728 VanDerWaalsContact C-N 3.29Å; K726-K728 PolarHBondContact O-N 2.92Å; K726-L729 PolarHBondContact O-N 2.88Å; K726-L729 VanDerWaalsContact O-N 3.14Å; K726-D730 WeakPolarHBondContact CE-OD2 3.38Å; K726-D730 WeakPolarHBondContact CG-OD2 3.35Å; K726-D730 PolarHBondContact O-N 3.12Å |
| 727 | I | 93.3 | Very high | 89 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.9 | -41.2 | 174.8 | -69.4 | 162.9 | 0 | 0 | 0 | 111.1 | N723 E724 K731 | N723-I727 VanDerWaalsContact O-CG1 3.3Å; N723-I727 WeakPolarHBondContact O-CG1 3.14Å; N723-I727 PolarHBondContact O-N 3.24Å; E724-I727 PolarHBondContact O-N 3.03Å; I727-K731 VanDerWaalsContact O-CB 3.25Å; I727-K731 WeakPolarHBondContact O-CB 3.48Å; I727-K731 PolarHBondContact O-N 3.09Å |
| 728 | K | 92 | Very high | 88.4 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.5 | -67.9 | 173.5 | 175.5 | 169.8 | 0 | 112.1 | E724 L725 K726 K731 A732 E750 | E724-K728 PolarHBondContact O-N 3.09Å; E724-K728 IonicContact OE1-NZ 2.71Å; E724-K728 PolarHBondContact OE1-NZ 3.16Å; E724-K728 VanDerWaalsContact OE1-NZ 3.11Å; L725-K728 WeakPolarHBondContact O-CB 3.37Å; L725-K728 PolarHBondContact O-N 3.45Å; K726-K728 VanDerWaalsContact C-N 3.29Å; K726-K728 PolarHBondContact O-N 2.92Å; K728-K731 PolarHBondContact O-N 2.81Å; K728-A732 PolarHBondContact O-N 3.49Å; K728-E750 WeakPolarHBondContact CD-OE2 3.13Å; K728-E750 WeakPolarHBondContact CE-OE2 3.39Å; K728-E750 IonicContact NZ-OE1 2.71Å; K728-E750 IonicContact NZ-OE2 3.77Å; K728-E750 PolarHBondContact NZ-OE2 2.89Å |
| 729 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 178.7 | 175.7 | 59.7 | 0 | 0 | 0 | 112.4 | D613 L615 L725 K726 K731 A732 R733 L744 A747 Y748 I751 | D613-L729 WeakPolarHBondContact OD2-CD2 3.36Å; L615-L729 HydrophobicContact CD2-CD1 4.42Å; L615-L729 HydrophobicContact CD2-CD2 3.93Å; L725-L729 PolarHBondContact O-N 2.84Å; K726-L729 PolarHBondContact O-N 2.88Å; K726-L729 VanDerWaalsContact O-N 3.14Å; L729-K731 VanDerWaalsContact C-N 3.35Å; L729-A732 WeakPolarHBondContact O-CB 3.31Å; L729-A732 PolarHBondContact O-N 2.78Å; L729-A732 VanDerWaalsContact O-N 3.17Å; L729-R733 HydrophobicContact CD1-CG 4.44Å; L729-R733 WeakPolarHBondContact O-CG 3Å; L729-R733 PolarHBondContact O-N 2.88Å; L729-L744 HydrophobicContact CD1-CD2 4.14Å; L729-A747 HydrophobicContact CB-CB 4.44Å; L729-A747 HydrophobicContact CD1-CB 4.34Å; L729-Y748 HydrophobicContact CD1-CD1 4.08Å; L729-Y748 HydrophobicContact CD1-CE1 3.62Å; L729-I751 HydrophobicContact CB-CD1 4.44Å; L729-I751 HydrophobicContact CD2-CD1 4.06Å |
| 730 | D | 91.5 | Very high | 88 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 35% | 0.348 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 179.6 | -69.1 | -26.1 | 0 | 0 | 0 | 111.3 | K726 R733 S734 | K726-D730 WeakPolarHBondContact CE-OD2 3.38Å; K726-D730 WeakPolarHBondContact CG-OD2 3.35Å; K726-D730 PolarHBondContact O-N 3.12Å; D730-R733 PolarHBondContact O-N 2.89Å; D730-R733 IonicContact OD1-NH1 3.7Å; D730-R733 PolarHBondContact OD1-NH1 2.8Å; D730-S734 PolarHBondContact O-N 3.31Å; D730-S734 PolarHBondContact O-OG 3.34Å |
| 731 | K | 90.7 | Very high | 87.7 | Confident | 142 Ų | 142 | 77.8 Ų | 77.8 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.7 | -49.9 | 167.2 | -175.1 | -176.5 | 178.2 | -170.6 | 0 | 110.8 | I727 K728 L729 R733 S734 | I727-K731 VanDerWaalsContact O-CB 3.25Å; I727-K731 WeakPolarHBondContact O-CB 3.48Å; I727-K731 PolarHBondContact O-N 3.09Å; K728-K731 PolarHBondContact O-N 2.81Å; L729-K731 VanDerWaalsContact C-N 3.35Å; K731-R733 PolarHBondContact O-N 3.42Å; K731-S734 PolarHBondContact O-N 3.19Å; K731-S734 PolarHBondContact O-OG 3.32Å |
| 732 | A | 88.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.008 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K728 L729 S734 I735 E743 L744 | K728-A732 PolarHBondContact O-N 3.49Å; L729-A732 WeakPolarHBondContact O-CB 3.31Å; L729-A732 PolarHBondContact O-N 2.78Å; L729-A732 VanDerWaalsContact O-N 3.17Å; A732-S734 VanDerWaalsContact C-N 3.35Å; A732-S734 PolarHBondContact O-N 3.44Å; A732-I735 PolarHBondContact O-N 3.29Å; A732-E743 HydrophobicContact CB-CB 3.84Å; A732-L744 HydrophobicContact CB-CD2 3.82Å; A732-L744 HydrophobicContact CB-CG 4.13Å |
| 733 | R | 88.7 | Confident | 87.4 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 28% | 0.279 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -31.9 | 176.2 | -75.4 | 173.1 | 167.2 | 156.7 | -5.1 | 113.9 | D613 L729 D730 K731 I735 R740 L744 | D613-R733 IonicContact OD1-CZ 3.41Å; D613-R733 IonicContact OD1-NH1 3.91Å; D613-R733 IonicContact OD1-NH2 3.52Å; D613-R733 PolarHBondContact OD1-NH2 3.12Å; D613-R733 IonicContact OD2-CZ 3.43Å; D613-R733 IonicContact OD2-NH1 3.74Å; D613-R733 PolarHBondContact OD2-NH1 2.99Å; D613-R733 IonicContact OD2-NH2 3.25Å; D613-R733 PolarHBondContact OD2-NH2 2.94Å; L729-R733 HydrophobicContact CD1-CG 4.44Å; L729-R733 WeakPolarHBondContact O-CG 3Å; L729-R733 PolarHBondContact O-N 2.88Å; D730-R733 PolarHBondContact O-N 2.89Å; D730-R733 IonicContact OD1-NH1 3.7Å; D730-R733 PolarHBondContact OD1-NH1 2.8Å; K731-R733 PolarHBondContact O-N 3.42Å; R733-I735 VanDerWaalsContact C-N 3.3Å; R733-I735 PolarHBondContact O-N 2.67Å; R733-R740 PolarHBondContact O-NH1 3.03Å; R733-L744 HydrophobicContact CG-CD2 3.84Å |
| 734 | S | 87.3 | Confident | 87.3 | Confident | 86 Ų | 86 | 82.1 Ų | 82.1 | 60% | 0.601 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.6 | -13.6 | -179 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | D730 K731 A732 V736 | D730-S734 PolarHBondContact O-N 3.31Å; D730-S734 PolarHBondContact O-OG 3.34Å; K731-S734 PolarHBondContact O-N 3.19Å; K731-S734 PolarHBondContact O-OG 3.32Å; A732-S734 VanDerWaalsContact C-N 3.35Å; A732-S734 PolarHBondContact O-N 3.44Å; S734-V736 PolarHBondContact O-N 3.34Å |
| 735 | I | 86.8 | Confident | 87 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | trans | -71.4 | 126.6 | 176.8 | -59.9 | 170.3 | 0 | 0 | 0 | 109.8 | A732 R733 N737 R740 E743 | A732-I735 PolarHBondContact O-N 3.29Å; R733-I735 VanDerWaalsContact C-N 3.3Å; R733-I735 PolarHBondContact O-N 2.67Å; I735-N737 HydrophobicContact CG2-CB 4.19Å; I735-R740 HydrophobicContact CB-CB 4.12Å; I735-R740 HydrophobicContact CB-CG 4.43Å; I735-R740 HydrophobicContact CG2-CB 3.99Å; I735-R740 VanDerWaalsContact O-CD 3.29Å; I735-R740 WeakPolarHBondContact O-CD 3.28Å; I735-R740 VanDerWaalsContact O-CG 3.29Å; I735-R740 WeakPolarHBondContact O-CG 3.49Å; I735-R740 PolarHBondContact O-NH1 2.96Å; I735-E743 HydrophobicContact CD1-CB 4.05Å; I735-E743 HydrophobicContact CD1-CG 3.75Å | ||
| 736 | V | 81.2 | Confident | 86.9 | Confident | 132 Ų | 132 | 85.7 Ų | 85.7 | 80% | 0.8 | 43% | 0.432 | S | S | * | . | trans | -94.3 | -24.4 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | S734 | S734-V736 PolarHBondContact O-N 3.34Š| ||
| 737 | N | 79.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 82.9 Ų | 82.9 | 68% | 0.679 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -72.5 | 163.8 | -176.9 | -59.2 | -1.4 | 0 | 0 | 0 | 112.5 | I735 G739 R740 | I735-N737 HydrophobicContact CG2-CB 4.19Å; N737-G739 PolarHBondContact O-N 3.38Å; N737-R740 VanDerWaalsContact O-CB 3.3Å; N737-R740 WeakPolarHBondContact O-CB 3.3Å; N737-R740 PolarHBondContact O-N 2.69Å |
| 738 | E | 75 | Confident | 86.8 | Confident | 198 Ų | 198 | 78.6 Ų | 78.6 | 93% | 0.925 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.6 | -179.1 | -60.6 | -177.8 | 155.7 | 0 | 0 | 114.3 | R740 | E738-R740 PolarHBondContact O-N 3.05Š|
| 739 | G | 79.6 | Confident | 86.6 | Confident | 41 Ų | 41 | 78.2 Ų | 78.2 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | N737 Q741 K742 E743 | N737-G739 PolarHBondContact O-N 3.38Å; G739-Q741 VanDerWaalsContact C-N 3.29Å; G739-Q741 PolarHBondContact O-N 3.33Å; G739-K742 PolarHBondContact O-N 3.31Å; G739-K742 VanDerWaalsContact O-N 3.09Å; G739-E743 PolarHBondContact O-N 2.79Å |
| 740 | R | 84.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -48.2 | -46.9 | -179.4 | -179.8 | -163.2 | 172.4 | 110.3 | -4.1 | 112.9 | R733 I735 N737 E738 K742 E743 L744 | R733-R740 PolarHBondContact O-NH1 3.03Å; I735-R740 HydrophobicContact CB-CB 4.12Å; I735-R740 HydrophobicContact CB-CG 4.43Å; I735-R740 HydrophobicContact CG2-CB 3.99Å; I735-R740 VanDerWaalsContact O-CD 3.29Å; I735-R740 WeakPolarHBondContact O-CD 3.28Å; I735-R740 VanDerWaalsContact O-CG 3.29Å; I735-R740 WeakPolarHBondContact O-CG 3.49Å; I735-R740 PolarHBondContact O-NH1 2.96Å; N737-R740 VanDerWaalsContact O-CB 3.3Å; N737-R740 WeakPolarHBondContact O-CB 3.3Å; N737-R740 PolarHBondContact O-N 2.69Å; E738-R740 PolarHBondContact O-N 3.05Å; R740-K742 VanDerWaalsContact C-N 3.31Å; R740-K742 PolarHBondContact O-N 3.16Å; R740-E743 PolarHBondContact O-N 3.3Å; R740-L744 HydrophobicContact CG-CD1 3.84Å; R740-L744 HydrophobicContact CG-CG 4.38Å; R740-L744 WeakPolarHBondContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CG 3.23Å; R740-L744 PolarHBondContact O-N 2.98Å |
| 741 | Q | 82.2 | Confident | 86.6 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.7 | -34.5 | -175.6 | -66.1 | -65.1 | 1 | 0 | 0 | 112.7 | G739 M745 | G739-Q741 VanDerWaalsContact C-N 3.29Å; G739-Q741 PolarHBondContact O-N 3.33Å; Q741-M745 HydrophobicContact CB-CE 4.49Å; Q741-M745 WeakPolarHBondContact O-CE 3.41Å; Q741-M745 PolarHBondContact O-N 3.1Å |
| 742 | K | 86.3 | Confident | 86.6 | Confident | 154 Ų | 154 | 71.8 Ų | 71.8 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69 | -46 | 178.1 | -171.7 | 179.9 | 178.6 | -176.6 | 0 | 111.2 | G739 R740 M745 T746 | G739-K742 PolarHBondContact O-N 3.31Å; G739-K742 VanDerWaalsContact O-N 3.09Å; R740-K742 VanDerWaalsContact C-N 3.31Å; R740-K742 PolarHBondContact O-N 3.16Å; K742-M745 PolarHBondContact O-N 3.48Å; K742-T746 PolarHBondContact O-N 3.18Å; K742-T746 PolarHBondContact O-OG1 2.95Å |
| 743 | E | 88 | Confident | 86.5 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.5 | -68 | -68.7 | 136.3 | 0 | 0 | 111.9 | A732 I735 G739 R740 T746 A747 | A732-E743 HydrophobicContact CB-CB 3.84Å; I735-E743 HydrophobicContact CD1-CB 4.05Å; I735-E743 HydrophobicContact CD1-CG 3.75Å; G739-E743 PolarHBondContact O-N 2.79Å; R740-E743 PolarHBondContact O-N 3.3Å; E743-T746 VanDerWaalsContact CA-OG1 3.3Å; E743-T746 WeakPolarHBondContact CA-OG1 3.45Å; E743-T746 PolarHBondContact O-N 3.03Å; E743-T746 PolarHBondContact O-OG1 3.49Å; E743-A747 PolarHBondContact O-N 3.32Å |
| 744 | L | 88.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.037 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 173.7 | -75.2 | 172 | 0 | 0 | 0 | 111.6 | L729 A732 R733 R740 T746 A747 Y748 | L729-L744 HydrophobicContact CD1-CD2 4.14Å; A732-L744 HydrophobicContact CB-CD2 3.82Å; A732-L744 HydrophobicContact CB-CG 4.13Å; R733-L744 HydrophobicContact CG-CD2 3.84Å; R740-L744 HydrophobicContact CG-CD1 3.84Å; R740-L744 HydrophobicContact CG-CG 4.38Å; R740-L744 WeakPolarHBondContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CG 3.23Å; R740-L744 PolarHBondContact O-N 2.98Å; L744-T746 VanDerWaalsContact C-N 3.3Å; L744-T746 PolarHBondContact O-N 3.14Å; L744-A747 PolarHBondContact O-N 3.09Å; L744-Y748 HydrophobicContact CB-CE2 4.41Å; L744-Y748 HydrophobicContact CD2-CE1 4.37Å; L744-Y748 WeakPolarHBondContact O-CD1 3.31Å; L744-Y748 PolarHBondContact O-N 3.24Å |
| 745 | M | 86.9 | Confident | 86.4 | Confident | 85 Ų | 85 | 75 Ų | 75 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 175.4 | -81.7 | -173.1 | -89.5 | 0 | 0 | 112.6 | Q741 K742 N749 | Q741-M745 HydrophobicContact CB-CE 4.49Å; Q741-M745 WeakPolarHBondContact O-CE 3.41Å; Q741-M745 PolarHBondContact O-N 3.1Å; K742-M745 PolarHBondContact O-N 3.48Å; M745-N749 WeakPolarHBondContact O-CB 3.49Å; M745-N749 VanDerWaalsContact O-CG 3.25Å; M745-N749 PolarHBondContact O-N 2.98Å; M745-N749 PolarHBondContact O-ND2 3.15Å; M745-N749 VanDerWaalsContact O-ND2 3.16Å |
| 746 | T | 90 | Very high | 86.5 | Confident | 71 Ų | 71 | 74 Ų | 74 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 175 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | K742 E743 L744 N749 E750 | K742-T746 PolarHBondContact O-N 3.18Å; K742-T746 PolarHBondContact O-OG1 2.95Å; E743-T746 VanDerWaalsContact CA-OG1 3.3Å; E743-T746 WeakPolarHBondContact CA-OG1 3.45Å; E743-T746 PolarHBondContact O-N 3.03Å; E743-T746 PolarHBondContact O-OG1 3.49Å; L744-T746 VanDerWaalsContact C-N 3.3Å; L744-T746 PolarHBondContact O-N 3.14Å; T746-N749 PolarHBondContact O-N 2.82Å; T746-E750 PolarHBondContact O-N 2.88Å; T746-E750 VanDerWaalsContact O-N 3.13Å |
| 747 | A | 91.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L729 E743 L744 N749 E750 I751 | L729-A747 HydrophobicContact CB-CB 4.44Å; L729-A747 HydrophobicContact CD1-CB 4.34Å; E743-A747 PolarHBondContact O-N 3.32Å; L744-A747 PolarHBondContact O-N 3.09Å; A747-N749 PolarHBondContact O-N 3.44Å; A747-E750 PolarHBondContact O-N 3.42Å; A747-E750 VanDerWaalsContact O-N 3.13Å; A747-I751 WeakPolarHBondContact O-CG1 3.43Å; A747-I751 PolarHBondContact O-N 3.46Å; A747-I751 VanDerWaalsContact O-N 3.11Å |
| 748 | Y | 91.5 | Very high | 87.2 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 14% | 0.137 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 175.9 | -63.4 | -12.5 | 0 | 0 | 0 | 111.5 | L615 L729 L744 E750 I751 E752 | L615-Y748 HydrophobicContact CD2-CD1 3.78Å; L615-Y748 HydrophobicContact CD2-CE1 3.54Å; L729-Y748 HydrophobicContact CD1-CD1 4.08Å; L729-Y748 HydrophobicContact CD1-CE1 3.62Å; L744-Y748 HydrophobicContact CB-CE2 4.41Å; L744-Y748 HydrophobicContact CD2-CE1 4.37Å; L744-Y748 WeakPolarHBondContact O-CD1 3.31Å; L744-Y748 PolarHBondContact O-N 3.24Å; Y748-E750 VanDerWaalsContact C-N 3.26Å; Y748-E750 PolarHBondContact O-N 2.91Å; Y748-I751 PolarHBondContact O-N 3.49Å; Y748-I751 VanDerWaalsContact O-N 3.16Å; Y748-E752 WeakPolarHBondContact O-CB 3.44Å; Y748-E752 VanDerWaalsContact O-CG 3.31Å; Y748-E752 WeakPolarHBondContact O-CG 3.46Å; Y748-E752 PolarHBondContact O-N 3.19Å |
| 749 | N | 89 | Confident | 87.9 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -23 | 177.2 | -74.7 | -29 | 0 | 0 | 0 | 114 | M745 T746 A747 K753 | M745-N749 WeakPolarHBondContact O-CB 3.49Å; M745-N749 VanDerWaalsContact O-CG 3.25Å; M745-N749 PolarHBondContact O-N 2.98Å; M745-N749 PolarHBondContact O-ND2 3.15Å; M745-N749 VanDerWaalsContact O-ND2 3.16Å; T746-N749 PolarHBondContact O-N 2.82Å; A747-N749 PolarHBondContact O-N 3.44Å; N749-K753 WeakPolarHBondContact O-CD 3.38Å; N749-K753 VanDerWaalsContact O-CE 3.31Å; N749-K753 WeakPolarHBondContact O-CE 3.37Å; N749-K753 WeakPolarHBondContact O-CG 3.29Å |
| 750 | E | 90.3 | Very high | 88.5 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -78.9 | -37.6 | 171.1 | -74.2 | -163.8 | 167.7 | 0 | 0 | 112.9 | R715 L725 K728 T746 A747 Y748 | R715-E750 PolarHBondContact NH1-O 3.45Å; L725-E750 HydrophobicContact CD2-CB 3.76Å; K728-E750 WeakPolarHBondContact CD-OE2 3.13Å; K728-E750 WeakPolarHBondContact CE-OE2 3.39Å; K728-E750 IonicContact NZ-OE1 2.71Å; K728-E750 IonicContact NZ-OE2 3.77Å; K728-E750 PolarHBondContact NZ-OE2 2.89Å; T746-E750 PolarHBondContact O-N 2.88Å; T746-E750 VanDerWaalsContact O-N 3.13Å; A747-E750 PolarHBondContact O-N 3.42Å; A747-E750 VanDerWaalsContact O-N 3.13Å; Y748-E750 VanDerWaalsContact C-N 3.26Å; Y748-E750 PolarHBondContact O-N 2.91Å |
| 751 | I | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | 178.4 | -64 | 163.7 | 0 | 0 | 0 | 110.9 | L615 I647 R715 W722 L725 L729 A747 Y748 | L615-I751 HydrophobicContact CD1-CB 4.36Å; L615-I751 HydrophobicContact CD1-CD1 4.16Å; L615-I751 HydrophobicContact CD1-CG2 3.85Å; I647-I751 HydrophobicContact CD1-CG2 3.77Å; I647-I751 HydrophobicContact CG1-CG2 4.31Å; I647-I751 HydrophobicContact CG2-CG2 4.22Å; R715-I751 VanDerWaalsContact NH1-C 3.33Å; R715-I751 PolarHBondContact NH1-O 3.25Å; W722-I751 HydrophobicContact CZ3-CD1 4.42Å; W722-I751 HydrophobicContact CZ3-CG2 4.28Å; L725-I751 HydrophobicContact CB-CG1 4.04Å; L725-I751 HydrophobicContact CD1-CG1 4.27Å; L725-I751 HydrophobicContact CD2-CG1 4.28Å; L725-I751 HydrophobicContact CG-CG1 4.44Å; L729-I751 HydrophobicContact CB-CD1 4.44Å; L729-I751 HydrophobicContact CD2-CD1 4.06Å; A747-I751 WeakPolarHBondContact O-CG1 3.43Å; A747-I751 PolarHBondContact O-N 3.46Å; A747-I751 VanDerWaalsContact O-N 3.11Å; Y748-I751 PolarHBondContact O-N 3.49Å; Y748-I751 VanDerWaalsContact O-N 3.16Å |
| 752 | E | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -88.6 | -0.6 | -172.8 | -63.9 | 163.9 | -159.8 | 0 | 0 | 114.6 | R621 C623 R659 Y748 L755 | R621-E752 VanDerWaalsContact CD-OE1 3.25Å; R621-E752 WeakPolarHBondContact CD-OE1 3.3Å; R621-E752 IonicContact CZ-OE1 3.95Å; R621-E752 IonicContact NE-OE1 2.88Å; R621-E752 PolarHBondContact NE-OE1 2.93Å; R621-E752 IonicContact NH1-OE1 2.83Å; R621-E752 PolarHBondContact NH1-OE1 3.29Å; C623-E752 PolarHBondContact SG-OE2 3.43Å; R659-E752 WeakPolarHBondContact CB-O 3.43Å; R659-E752 IonicContact CZ-OE2 3.25Å; R659-E752 IonicContact NE-OE2 2.71Å; R659-E752 PolarHBondContact NE-OE2 2.84Å; R659-E752 IonicContact NH2-OE2 3.18Å; R659-E752 PolarHBondContact NH2-OE2 2.9Å; Y748-E752 WeakPolarHBondContact O-CB 3.44Å; Y748-E752 VanDerWaalsContact O-CG 3.31Å; Y748-E752 WeakPolarHBondContact O-CG 3.46Å; Y748-E752 PolarHBondContact O-N 3.19Å; E752-L755 WeakPolarHBondContact O-CD1 3.39Å; E752-L755 WeakPolarHBondContact O-CG 3.32Å |
| 753 | K | 87.7 | Confident | 89.2 | Confident | 113 Ų | 113 | 33.2 Ų | 33.2 | 49% | 0.491 | 16% | 0.162 | S | C | . | . | trans | -71.6 | 152.2 | 177.3 | -92.2 | 164.7 | -170.1 | 175.7 | 0 | 113.1 | R715 N749 | R715-K753 WeakPolarHBondContact CD-O 3.36Å; R715-K753 PolarHBondContact NE-O 2.96Å; R715-K753 VanDerWaalsContact NE-O 3.1Å; R715-K753 PolarHBondContact NH1-O 2.93Å; N749-K753 WeakPolarHBondContact O-CD 3.38Å; N749-K753 VanDerWaalsContact O-CE 3.31Å; N749-K753 WeakPolarHBondContact O-CE 3.37Å; N749-K753 WeakPolarHBondContact O-CG 3.29Å | ||
| 754 | K | 86.6 | Confident | 89.1 | Confident | 117 Ų | 117 | 30.9 Ų | 30.9 | 51% | 0.509 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 61.7 | 48 | 175.6 | -57.2 | -174.1 | 176.2 | -171.5 | 0 | 113.3 | R659 N661 | R659-K754 WeakPolarHBondContact O-CA 3.47Å; R659-K754 PolarHBondContact O-N 3.01Å; N661-K754 HydrophobicContact CB-CB 4Å; N661-K754 HydrophobicContact CB-CG 4.45Å |
| 755 | L | 87.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 144.1 | 171.5 | -68.2 | 164.5 | 0 | 0 | 0 | 111 | C649 L656 R659 V660 N661 R715 E752 | C649-L755 HydrophobicContact CB-CD1 3.97Å; C649-L755 HydrophobicContact CB-CD2 3.81Å; L656-L755 HydrophobicContact CG-CD1 4.27Å; R659-L755 HydrophobicContact CB-CD1 3.97Å; R659-L755 PolarHBondContact O-N 3.03Å; V660-L755 WeakPolarHBondContact CA-O 3.28Å; N661-L755 PolarHBondContact N-O 3.11Å; N661-L755 VanDerWaalsContact N-O 3.13Å; R715-L755 HydrophobicContact CB-CD2 4.02Å; E752-L755 WeakPolarHBondContact O-CD1 3.39Å; E752-L755 WeakPolarHBondContact O-CG 3.32Å |
| 756 | T | 87.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 29 Ų | 29 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.1 | 162.6 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | R689 G713 I714 | R689-T756 HydrophobicContact CB-CG2 4.21Å; R689-T756 HydrophobicContact CG-CG2 4.22Å; G713-T756 CarbonylContact C-O 3.45Å; G713-T756 VanDerWaalsContact CA-O 3.25Å; G713-T756 WeakPolarHBondContact CA-O 3.17Å; I714-T756 PolarHBondContact N-O 3.43Å; I714-T756 PolarHBondContact O-N 3.28Å |
| 757 | L | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134.3 | 177.3 | -57.2 | 180 | 0 | 0 | 0 | 110.7 | L657 V660 R689 M690 V695 V711 | L657-L757 HydrophobicContact CD2-CD1 3.81Å; V660-L757 HydrophobicContact CG1-CG 4.36Å; V660-L757 HydrophobicContact CG2-CD1 3.87Å; V660-L757 HydrophobicContact CG2-CD2 3.63Å; V660-L757 HydrophobicContact CG2-CG 3.69Å; R689-L757 WeakPolarHBondContact CA-O 3.37Å; M690-L757 PolarHBondContact N-O 3.46Å; M690-L757 VanDerWaalsContact N-O 3.11Å; V695-L757 HydrophobicContact CB-CD1 4.25Å; V695-L757 HydrophobicContact CG2-CB 4.33Å; V695-L757 HydrophobicContact CG2-CD1 3.8Å; V711-L757 HydrophobicContact CG1-CD2 3.82Å |
| 758 | I | 87 | Confident | 88.7 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -41.2 | -179.5 | -59.2 | 171 | 0 | 0 | 0 | 110.7 | L497 L500 F680 M712 I714 | L497-I758 HydrophobicContact CB-CG2 4.44Å; L497-I758 HydrophobicContact CD1-CG2 4.08Å; L500-I758 HydrophobicContact CD1-CD1 3.42Å; L500-I758 VanDerWaalsContact CD1-CD1 3.42Å; F680-I758 HydrophobicContact CE1-CD1 4.31Å; F680-I758 HydrophobicContact CE1-CG1 3.88Å; F680-I758 HydrophobicContact CE2-CD1 3.84Å; F680-I758 HydrophobicContact CE2-CG1 4.32Å; F680-I758 HydrophobicContact CZ-CB 4.42Å; F680-I758 HydrophobicContact CZ-CD1 3.46Å; F680-I758 VanDerWaalsContact CZ-CD1 3.46Å; F680-I758 HydrophobicContact CZ-CG1 3.46Å; F680-I758 VanDerWaalsContact CZ-CG1 3.46Å; F680-I758 HydrophobicContact CZ-CG2 4.16Å; M712-I758 PolarHBondContact O-N 2.98Å; I714-I758 HydrophobicContact CB-CD1 3.68Å; I714-I758 HydrophobicContact CG2-CD1 3.59Å; I714-I758 HydrophobicContact CG2-CG1 3.99Å |
| 759 | G | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -178.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | A426 M712 | A426-G759 WeakPolarHBondContact O-CA 3.46Å; M712-G759 PolarHBondContact N-O 3.37Å |
| 760 | C | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.7 | 172.8 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | L425 A426 V699 L710 V711 | L425-C760 CarbonylContact C-O 3.56Å; L425-C760 WeakPolarHBondContact CA-O 3.35Å; A426-C760 PolarHBondContact N-O 2.76Å; A426-C760 PolarHBondContact O-N 3.08Å; A426-C760 VanDerWaalsContact O-N 3.16Å; V699-C760 HydrophobicContact CG2-CB 3.89Å; L710-C760 CarbonylContact O-C 3.53Å; L710-C760 VanDerWaalsContact O-CA 3.27Å; L710-C760 WeakPolarHBondContact O-CA 3.45Å; V711-C760 HydrophobicContact CG2-CB 4.28Å |
| 761 | T | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.8 | 179.8 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | F422 L497 L501 F578 T709 L710 M712 | F422-T761 HydrophobicContact CE2-CG2 3.7Å; F422-T761 HydrophobicContact CZ-CG2 4.23Å; L497-T761 HydrophobicContact CD2-CG2 4.35Å; L501-T761 HydrophobicContact CD1-CG2 3.93Å; L501-T761 HydrophobicContact CD2-CG2 4.21Å; F578-T761 HydrophobicContact CE1-CG2 4.03Å; F578-T761 WeakPolarHBondContact CE1-OG1 3.47Å; F578-T761 WeakPolarHBondContact CZ-OG1 3.3Å; T709-T761 WeakPolarHBondContact CA-O 3.33Å; L710-T761 PolarHBondContact N-O 3.09Å; L710-T761 PolarHBondContact O-N 2.99Å; L710-T761 PolarHBondContact O-OG1 2.79Å; M712-T761 HydrophobicContact CE-CG2 4.45Å |
| 762 | G | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R423 R424 | R423-G762 PolarHBondContact N-O 2.88Å; R424-G762 PolarHBondContact N-O 3.15Å; R424-G762 VanDerWaalsContact N-O 3.16Å; R424-G762 PolarHBondContact O-N 3.17Å |
| 763 | I | 88.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.7 | 171.5 | -64 | 170.4 | 0 | 0 | 0 | 108.9 | M420 Q421 D574 F578 L707 R708 | M420-I763 HydrophobicContact CB-CG2 3.87Å; M420-I763 HydrophobicContact CG-CG2 4.4Å; M420-I763 HydrophobicContact SD-CG2 3.89Å; Q421-I763 CarbonylContact O-C 3.51Å; Q421-I763 WeakPolarHBondContact O-CA 3.31Å; D574-I763 HydrophobicContact CB-CD1 3.7Å; F578-I763 HydrophobicContact CD1-CD1 4.22Å; F578-I763 HydrophobicContact CD2-CD1 4.25Å; F578-I763 HydrophobicContact CE1-CD1 3.64Å; F578-I763 HydrophobicContact CE1-CG1 3.92Å; F578-I763 HydrophobicContact CE2-CD1 3.69Å; F578-I763 HydrophobicContact CZ-CD1 3.36Å; F578-I763 HydrophobicContact CZ-CG1 4.05Å; L707-I763 CarbonylContact C-O 3.58Å; L707-I763 WeakPolarHBondContact CA-O 3.08Å; R708-I763 PolarHBondContact N-O 3.05Å; R708-I763 PolarHBondContact O-N 3.25Å |
| 764 | E | 84.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 25.3 Ų | 25.3 | 20% | 0.196 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.1 | 168.2 | -171.6 | 174.3 | -155.9 | 0 | 0 | 110.2 | M420 Q421 R423 L707 M766 | M420-E764 WeakPolarHBondContact CA-O 3.4Å; Q421-E764 PolarHBondContact N-O 2.93Å; Q421-E764 PolarHBondContact O-N 2.73Å; R423-E764 HydrophobicContact CG-CB 3.56Å; R423-E764 IonicContact CZ-OE2 2.91Å; R423-E764 VanDerWaalsContact CZ-OE2 3.22Å; R423-E764 IonicContact NE-OE2 3.42Å; R423-E764 PolarHBondContact NE-OE2 3.24Å; R423-E764 IonicContact NH2-OE2 3.63Å; R423-E764 PolarHBondContact NH2-OE2 3.17Å; L707-E764 HydrophobicContact CD2-CB 3.75Å; L707-E764 HydrophobicContact CD2-CG 4.35Å; E764-M766 HydrophobicContact CB-SD 4.39Å; E764-M766 HydrophobicContact CG-SD 4.02Å |
| 765 | D | 84.3 | Confident | 88.9 | Confident | 15 Ų | 15 | 19.8 Ų | 19.8 | 8% | 0.08 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 103.8 | 164.5 | 179.9 | 9.7 | 0 | 0 | 0 | 106.9 | K411 M420 L767 I799 | K411-D765 WeakPolarHBondContact CE-OD2 3.47Å; K411-D765 IonicContact NZ-OD2 3.96Å; K411-D765 PolarHBondContact NZ-OD2 2.73Å; M420-D765 HydrophobicContact CE-CB 3.61Å; M420-D765 HydrophobicContact SD-CB 3.72Å; D765-L767 PolarHBondContact O-N 3.32Å; D765-I799 HydrophobicContact CB-CD1 3.79Å; D765-I799 HydrophobicContact CB-CG1 4.46Å; D765-I799 VanDerWaalsContact O-CD1 3.23Å; D765-I799 WeakPolarHBondContact O-CD1 3.48Å |
| 766 | M | 86 | Confident | 89 | Confident | 36 Ų | 36 | 25.6 Ų | 25.6 | 18% | 0.177 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123 | -162 | -71.6 | -66.7 | -68.3 | 0 | 0 | 112.3 | T416 E417 S419 Q421 E764 | T416-M766 CarbonylContact C-O 3.49Å; T416-M766 WeakPolarHBondContact CA-O 3.41Å; T416-M766 WeakPolarHBondContact CB-O 3.47Å; E417-M766 PolarHBondContact N-O 2.84Å; S419-M766 WeakPolarHBondContact O-CB 3.3Å; S419-M766 WeakPolarHBondContact O-CG 3.4Å; S419-M766 PolarHBondContact O-N 2.89Å; Q421-M766 HydrophobicContact CB-CG 4Å; Q421-M766 HydrophobicContact CB-SD 4.14Å; Q421-M766 HydrophobicContact CG-CG 3.7Å; Q421-M766 HydrophobicContact CG-SD 4.22Å; Q421-M766 PolarHBondContact OE1-SD 3.38Å; Q421-M766 VanDerWaalsContact OE1-SD 3.41Å; E764-M766 HydrophobicContact CB-SD 4.39Å; E764-M766 HydrophobicContact CG-SD 4.02Å |
| 767 | L | 89.4 | Confident | 89.1 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 153.6 | 169.2 | -63.3 | 179.6 | 0 | 0 | 0 | 111.8 | L415 T416 D765 P772 I799 S802 A803 | L415-L767 CarbonylContact O-C 3.44Å; L415-L767 WeakPolarHBondContact O-CA 3.48Å; T416-L767 HydrophobicContact CG2-CD2 4.3Å; D765-L767 PolarHBondContact O-N 3.32Å; L767-P772 HydrophobicContact CD1-CG 4.09Å; L767-I799 HydrophobicContact CD2-CD1 4.06Å; L767-I799 HydrophobicContact CD2-CG2 4.05Å; L767-S802 WeakPolarHBondContact CD1-O 3.4Å; L767-A803 HydrophobicContact CD1-CB 4.09Å; L767-A803 HydrophobicContact CD2-CB 4.25Å |
| 768 | Q | 89.9 | Confident | 89.3 | Confident | 17 Ų | 17 | 24.6 Ų | 24.6 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -66 | 149.4 | 166.2 | -54.7 | -166.5 | 0.3 | 0 | 0 | 111 | G413 T414 L415 T416 E417 G770 V771 | G413-Q768 PolarHBondContact O-NE2 2.83Å; T414-Q768 VanDerWaalsContact O-CD 3.25Å; T414-Q768 PolarHBondContact O-NE2 3.23Å; L415-Q768 PolarHBondContact O-N 3.28Å; T416-Q768 PolarHBondContact O-NE2 2.69Å; E417-Q768 HydrophobicContact CG-CB 4.34Å; E417-Q768 HydrophobicContact CG-CG 3.93Å; Q768-G770 PolarHBondContact O-N 3.07Å; Q768-V771 HydrophobicContact CB-CG2 3.74Å; Q768-V771 VanDerWaalsContact O-CG2 3.28Å; Q768-V771 WeakPolarHBondContact O-CG2 3.15Å; Q768-V771 PolarHBondContact O-N 2.85Å |
| 769 | E | 87.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 27.1 Ų | 27.1 | 41% | 0.407 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 125.5 | 174.1 | -177.4 | 166.5 | -138.2 | 0 | 0 | 111.5 | R458 R932 H934 | R458-E769 IonicContact NH1-OE1 3.52Å; R458-E769 PolarHBondContact NH1-OE1 3.42Å; E769-R932 IonicContact OE2-CZ 3.57Å; E769-R932 IonicContact OE2-NH1 3.58Å; E769-R932 PolarHBondContact OE2-NH1 3.44Å; E769-H934 WeakPolarHBondContact O-CB 3.44Å |
| 770 | G | 87.6 | Confident | 89.2 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q768 E773 T774 H934 | Q768-G770 PolarHBondContact O-N 3.07Å; G770-E773 WeakPolarHBondContact CA-OE2 3.49Å; G770-T774 WeakPolarHBondContact O-CB 3.34Å; G770-T774 PolarHBondContact O-N 2.86Å; G770-T774 PolarHBondContact O-OG1 2.88Å; G770-H934 WeakPolarHBondContact CA-ND1 3.3Å; G770-H934 PolarHBondContact O-ND1 2.92Å |
| 771 | V | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -52.2 | -178.6 | 164.7 | 0 | 0 | 0 | 0 | 113.4 | L415 Q768 E773 T774 I775 A803 F933 | L415-V771 HydrophobicContact CD2-CG1 3.77Å; Q768-V771 HydrophobicContact CB-CG2 3.74Å; Q768-V771 VanDerWaalsContact O-CG2 3.28Å; Q768-V771 WeakPolarHBondContact O-CG2 3.15Å; Q768-V771 PolarHBondContact O-N 2.85Å; V771-E773 VanDerWaalsContact C-N 3.34Å; V771-E773 PolarHBondContact O-N 3.37Å; V771-T774 PolarHBondContact O-N 2.87Å; V771-I775 HydrophobicContact CG1-CD1 3.81Å; V771-I775 PolarHBondContact O-N 2.67Å; V771-A803 HydrophobicContact CG1-CB 4.11Å; V771-F933 HydrophobicContact CB-CD1 4.41Å; V771-F933 HydrophobicContact CG1-CD1 4.45Å; V771-F933 HydrophobicContact CG2-CB 4Å; V771-F933 HydrophobicContact CG2-CD1 3.8Å; V771-F933 HydrophobicContact CG2-CG 4.15Å |
| 772 | P | 89 | Confident | 88.9 | Confident | 43 Ų | 43 | 33.7 Ų | 33.7 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | -179.1 | -22.8 | 33.7 | 0 | 0 | 0 | 113 | L767 T774 I775 K776 | L767-P772 HydrophobicContact CD1-CG 4.09Å; P772-T774 VanDerWaalsContact C-N 3.32Å; P772-T774 PolarHBondContact O-N 2.85Å; P772-I775 PolarHBondContact O-N 2.99Å; P772-K776 WeakPolarHBondContact O-CB 3.31Å; P772-K776 PolarHBondContact O-N 2.97Å |
| 773 | E | 90.1 | Very high | 89 | Confident | 106 Ų | 106 | 33.8 Ų | 33.8 | 50% | 0.495 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.1 | -36 | 179 | -59.4 | 75.8 | -166.5 | 0 | 0 | 111.5 | G770 V771 A777 | G770-E773 WeakPolarHBondContact CA-OE2 3.49Å; V771-E773 VanDerWaalsContact C-N 3.34Å; V771-E773 PolarHBondContact O-N 3.37Å; E773-A777 WeakPolarHBondContact O-CB 3.39Å; E773-A777 PolarHBondContact O-N 3.47Å |
| 774 | T | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.1 | -45.1 | 175.1 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | G770 V771 P772 K776 A777 L778 F933 H934 L936 K937 | G770-T774 WeakPolarHBondContact O-CB 3.34Å; G770-T774 PolarHBondContact O-N 2.86Å; G770-T774 PolarHBondContact O-OG1 2.88Å; V771-T774 PolarHBondContact O-N 2.87Å; P772-T774 VanDerWaalsContact C-N 3.32Å; P772-T774 PolarHBondContact O-N 2.85Å; T774-K776 VanDerWaalsContact C-N 3.32Å; T774-K776 PolarHBondContact O-N 3.21Å; T774-A777 PolarHBondContact O-N 3.19Å; T774-L778 HydrophobicContact CG2-CD1 3.7Å; T774-L778 HydrophobicContact CG2-CG 4.19Å; T774-L778 WeakPolarHBondContact O-CB 3.42Å; T774-L778 WeakPolarHBondContact O-CG 3.26Å; T774-L778 PolarHBondContact O-N 2.97Å; T774-F933 HydrophobicContact CG2-CD1 4.04Å; T774-F933 HydrophobicContact CG2-CE1 3.69Å; T774-H934 PolarHBondContact OG1-ND1 3.01Å; T774-H934 PolarHBondContact OG1-O 3.44Å; T774-L936 HydrophobicContact CG2-CB 4.5Å; T774-K937 HydrophobicContact CG2-CB 4.1Å |
| 775 | I | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.7 | -72.8 | 167.6 | 0 | 0 | 0 | 110.5 | L415 V771 P772 L778 R779 A803 F933 | L415-I775 HydrophobicContact CD2-CD1 4.08Å; V771-I775 HydrophobicContact CG1-CD1 3.81Å; V771-I775 PolarHBondContact O-N 2.67Å; P772-I775 PolarHBondContact O-N 2.99Å; I775-L778 PolarHBondContact O-N 3.11Å; I775-R779 HydrophobicContact CG2-CG 4.39Å; I775-R779 WeakPolarHBondContact O-CB 3.45Å; I775-R779 VanDerWaalsContact O-CG 3.24Å; I775-R779 WeakPolarHBondContact O-CG 3.2Å; I775-R779 PolarHBondContact O-N 2.87Å; I775-A803 HydrophobicContact CD1-CB 3.89Å; I775-F933 HydrophobicContact CD1-CE1 4.49Å; I775-F933 HydrophobicContact CG1-CE1 3.98Å; I775-F933 HydrophobicContact CG1-CZ 4.21Å |
| 776 | K | 89.1 | Confident | 89.9 | Confident | 123 Ų | 123 | 33.7 Ų | 33.7 | 54% | 0.535 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.3 | -51.4 | 173.9 | -178.2 | 176.3 | 174.8 | -179.8 | 0 | 111.9 | P772 T774 L778 R779 E780 | P772-K776 WeakPolarHBondContact O-CB 3.31Å; P772-K776 PolarHBondContact O-N 2.97Å; T774-K776 VanDerWaalsContact C-N 3.32Å; T774-K776 PolarHBondContact O-N 3.21Å; K776-L778 VanDerWaalsContact C-N 3.34Å; K776-L778 PolarHBondContact O-N 3.11Å; K776-R779 PolarHBondContact O-N 2.79Å; K776-E780 WeakPolarHBondContact CE-OE1 3.3Å; K776-E780 WeakPolarHBondContact CG-OE1 3.34Å; K776-E780 WeakPolarHBondContact O-CG 3.1Å; K776-E780 PolarHBondContact O-N 3.26Å |
| 777 | A | 90.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E773 T774 E780 A781 K937 L941 P1020 | E773-A777 WeakPolarHBondContact O-CB 3.39Å; E773-A777 PolarHBondContact O-N 3.47Å; T774-A777 PolarHBondContact O-N 3.19Å; A777-E780 PolarHBondContact O-N 3.45Å; A777-A781 WeakPolarHBondContact O-CB 3.49Å; A777-A781 PolarHBondContact O-N 2.82Å; A777-K937 HydrophobicContact CB-CD 4.05Å; A777-K937 HydrophobicContact CB-CG 4.25Å; A777-L941 HydrophobicContact CB-CD1 4.34Å; A777-P1020 HydrophobicContact CB-CB 4.37Å; A777-P1020 HydrophobicContact CB-CG 3.87Å; A777-P1020 WeakPolarHBondContact O-CB 3.41Å |
| 778 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 176.3 | -66.5 | 170.6 | 0 | 0 | 0 | 111.7 | L407 T774 I775 K776 A781 G782 I783 V785 L936 L940 | L407-L778 HydrophobicContact CD2-CD1 3.8Å; T774-L778 HydrophobicContact CG2-CD1 3.7Å; T774-L778 HydrophobicContact CG2-CG 4.19Å; T774-L778 WeakPolarHBondContact O-CB 3.42Å; T774-L778 WeakPolarHBondContact O-CG 3.26Å; T774-L778 PolarHBondContact O-N 2.97Å; I775-L778 PolarHBondContact O-N 3.11Å; K776-L778 VanDerWaalsContact C-N 3.34Å; K776-L778 PolarHBondContact O-N 3.11Å; L778-A781 WeakPolarHBondContact O-CB 3.46Å; L778-A781 PolarHBondContact O-N 2.88Å; L778-G782 PolarHBondContact O-N 2.71Å; L778-I783 HydrophobicContact CB-CB 4.42Å; L778-I783 HydrophobicContact CD2-CD1 3.9Å; L778-I783 WeakPolarHBondContact O-CB 3.3Å; L778-I783 PolarHBondContact O-N 3.45Å; L778-V785 HydrophobicContact CB-CG2 4.17Å; L778-V785 HydrophobicContact CD1-CG2 4.49Å; L778-L936 HydrophobicContact CD1-CD2 4.11Å; L778-L936 HydrophobicContact CD1-CG 4.47Å; L778-L940 HydrophobicContact CD2-CB 4.41Å; L778-L940 HydrophobicContact CD2-CD1 3.7Å |
| 779 | R | 88.8 | Confident | 90.2 | Very high | 57 Ų | 57 | 30 Ų | 30 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 174.2 | -69.5 | 174.8 | 66.5 | -173.2 | -0.8 | 111.8 | I775 K776 A781 G782 G804 Q833 | I775-R779 HydrophobicContact CG2-CG 4.39Å; I775-R779 WeakPolarHBondContact O-CB 3.45Å; I775-R779 VanDerWaalsContact O-CG 3.24Å; I775-R779 WeakPolarHBondContact O-CG 3.2Å; I775-R779 PolarHBondContact O-N 2.87Å; K776-R779 PolarHBondContact O-N 2.79Å; R779-A781 VanDerWaalsContact C-N 3.28Å; R779-A781 PolarHBondContact O-N 3.48Å; R779-G782 WeakPolarHBondContact O-CA 3.36Å; R779-G782 PolarHBondContact O-N 3.16Å; R779-G804 PolarHBondContact NH1-O 2.97Å; R779-Q833 VanDerWaalsContact NH2-CD 3.31Å |
| 780 | E | 87.1 | Confident | 89.7 | Confident | 92 Ų | 92 | 27.7 Ų | 27.7 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63 | -32.4 | 173.4 | -73.5 | 172.7 | -178.6 | 0 | 0 | 112.7 | K776 A777 G782 P1020 I1021 | K776-E780 WeakPolarHBondContact CE-OE1 3.3Å; K776-E780 WeakPolarHBondContact CG-OE1 3.34Å; K776-E780 WeakPolarHBondContact O-CG 3.1Å; K776-E780 PolarHBondContact O-N 3.26Å; A777-E780 PolarHBondContact O-N 3.45Å; E780-G782 PolarHBondContact O-N 2.66Å; E780-P1020 HydrophobicContact CB-CB 4.11Å; E780-P1020 HydrophobicContact CB-CG 4.46Å; E780-I1021 WeakPolarHBondContact O-CA 3.19Å |
| 781 | A | 89.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A777 L778 R779 I783 L941 P1020 Y1023 K1024 | A777-A781 WeakPolarHBondContact O-CB 3.49Å; A777-A781 PolarHBondContact O-N 2.82Å; L778-A781 WeakPolarHBondContact O-CB 3.46Å; L778-A781 PolarHBondContact O-N 2.88Å; R779-A781 VanDerWaalsContact C-N 3.28Å; R779-A781 PolarHBondContact O-N 3.48Å; A781-I783 HydrophobicContact CB-CD1 4.46Å; A781-I783 HydrophobicContact CB-CG1 4.27Å; A781-L941 HydrophobicContact CB-CD2 3.62Å; A781-P1020 WeakPolarHBondContact CA-O 3.21Å; A781-P1020 HydrophobicContact CB-CB 4.05Å; A781-P1020 WeakPolarHBondContact CB-O 3.09Å; A781-Y1023 HydrophobicContact CB-CD1 4.29Å; A781-Y1023 HydrophobicContact CB-CG 4.23Å; A781-K1024 PolarHBondContact O-N 2.78Å |
| 782 | G | 87.6 | Confident | 88 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 45% | 0.454 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L778 R779 E780 | L778-G782 PolarHBondContact O-N 2.71Å; R779-G782 WeakPolarHBondContact O-CA 3.36Å; R779-G782 PolarHBondContact O-N 3.16Å; E780-G782 PolarHBondContact O-N 2.66Å |
| 783 | I | 91.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | trans | -85.1 | 122.5 | -179.8 | -51.5 | -178.3 | 0 | 0 | 0 | 109.1 | V404 E405 L407 L778 A781 V785 L940 Y1023 | V404-I783 HydrophobicContact CG1-CG2 4.22Å; E405-I783 WeakPolarHBondContact O-CA 3.25Å; L407-I783 HydrophobicContact CB-CG2 4.02Å; L778-I783 HydrophobicContact CB-CB 4.42Å; L778-I783 HydrophobicContact CD2-CD1 3.9Å; L778-I783 WeakPolarHBondContact O-CB 3.3Å; L778-I783 PolarHBondContact O-N 3.45Å; A781-I783 HydrophobicContact CB-CD1 4.46Å; A781-I783 HydrophobicContact CB-CG1 4.27Å; I783-V785 PolarHBondContact O-N 3.31Å; I783-L940 HydrophobicContact CD1-CD1 4.02Å; I783-Y1023 HydrophobicContact CD1-CD1 4.1Å; I783-Y1023 HydrophobicContact CD1-CE1 3.69Å; I783-Y1023 HydrophobicContact CG1-CD1 4.18Å; I783-Y1023 HydrophobicContact CG1-CE1 3.96Å | ||
| 784 | K | 90.3 | Very high | 86.4 | Confident | 51 Ų | 51 | 35 Ų | 35 | 22% | 0.222 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 109.4 | 174.3 | -70.2 | -166 | 174.3 | -159.8 | 0 | 109.6 | E405 Y406 L407 L860 S862 | E405-K784 PolarHBondContact O-N 3.35Å; Y406-K784 WeakPolarHBondContact CA-O 3.22Å; Y406-K784 HydrophobicContact CD1-CB 3.85Å; Y406-K784 HydrophobicContact CD1-CD 4.37Å; Y406-K784 HydrophobicContact CE1-CB 3.98Å; Y406-K784 HydrophobicContact CE1-CD 3.63Å; Y406-K784 HydrophobicContact CE1-CG 4.32Å; Y406-K784 HydrophobicContact CG-CB 4.45Å; L407-K784 PolarHBondContact N-O 3.1Å; K784-L860 PolarHBondContact NZ-O 3.46Å; K784-S862 PolarHBondContact NZ-O 3.32Å |
| 785 | V | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 174 | -173.8 | 0 | 0 | 0 | 0 | 109 | L407 T409 L778 I783 H805 | L407-V785 HydrophobicContact CD2-CG1 4.36Å; L407-V785 HydrophobicContact CD2-CG2 4.26Å; L407-V785 CarbonylContact O-C 3.55Å; L407-V785 WeakPolarHBondContact O-CA 3.48Å; T409-V785 HydrophobicContact CG2-CG1 4.14Å; L778-V785 HydrophobicContact CB-CG2 4.17Å; L778-V785 HydrophobicContact CD1-CG2 4.49Å; I783-V785 PolarHBondContact O-N 3.31Å; V785-H805 PolarHBondContact O-NE2 3Å |
| 786 | W | 93.2 | Very high | 84.9 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135 | 177.3 | -71.5 | 23.1 | 0 | 0 | 0 | 108.9 | Y406 L407 F408 T409 C859 V865 V878 I882 | Y406-W786 AromaticContact CD1-CE2 3.99Å; Y406-W786 HydrophobicContact CD1-CZ2 4.17Å; Y406-W786 AromaticContact CD1-NE1 3.93Å; Y406-W786 AromaticContact CE1-CZ2 3.92Å; Y406-W786 HydrophobicContact CE1-CZ2 3.92Å; L407-W786 PolarHBondContact O-N 2.89Å; F408-W786 WeakPolarHBondContact CA-O 3.47Å; F408-W786 HydrophobicContact CD1-CB 4.03Å; F408-W786 HydrophobicContact CD1-CD2 4.5Å; F408-W786 HydrophobicContact CD1-CE3 4.11Å; F408-W786 HydrophobicContact CE1-CB 4.34Å; F408-W786 AromaticContact CE1-CD2 3.94Å; F408-W786 HydrophobicContact CE1-CD2 3.94Å; F408-W786 AromaticContact CE1-CE3 3.43Å; F408-W786 HydrophobicContact CE1-CE3 3.43Å; F408-W786 VanDerWaalsContact CE1-CE3 3.43Å; F408-W786 HydrophobicContact CE1-CG 4.39Å; F408-W786 AromaticContact CE1-CZ3 3.94Å; F408-W786 HydrophobicContact CE1-CZ3 3.94Å; F408-W786 HydrophobicContact CZ-CE3 4.35Å; T409-W786 PolarHBondContact N-O 3.44Å; W786-C859 HydrophobicContact CH2-CB 3.35Å; W786-C859 HydrophobicContact CZ2-CB 3.72Å; W786-C859 HydrophobicContact CZ3-CB 4.25Å; W786-V865 CarbonylContact C-O 3.02Å; W786-V865 WeakPolarHBondContact CA-O 3.47Å; W786-V865 HydrophobicContact CB-CB 4.41Å; W786-V865 HydrophobicContact CD2-CB 3.56Å; W786-V865 HydrophobicContact CD2-CG1 4.34Å; W786-V865 HydrophobicContact CD2-CG2 3.67Å; W786-V865 VanDerWaalsContact CE2-CG2 3.44Å; W786-V865 HydrophobicContact CE3-CB 3.76Å; W786-V865 HydrophobicContact CE3-CG1 4.02Å; W786-V865 HydrophobicContact CE3-CG2 4.01Å; W786-V865 HydrophobicContact CG-CB 3.83Å; W786-V865 HydrophobicContact CG-CG2 4.22Å; W786-V865 HydrophobicContact CH2-CG2 4.05Å; W786-V865 HydrophobicContact CZ2-CB 4.46Å; W786-V865 HydrophobicContact CZ2-CG2 3.66Å; W786-V865 HydrophobicContact CZ3-CB 4.32Å; W786-V865 HydrophobicContact CZ3-CG1 4.32Å; W786-V865 HydrophobicContact CZ3-CG2 4.2Å; W786-V878 HydrophobicContact CE3-CG1 4.08Å; W786-V878 HydrophobicContact CZ3-CG1 3.84Å; W786-I882 HydrophobicContact CH2-CD1 3.31Å; W786-I882 HydrophobicContact CH2-CG1 3.34Å; W786-I882 HydrophobicContact CZ2-CD1 3.75Å; W786-I882 HydrophobicContact CZ2-CG1 4.04Å; W786-I882 HydrophobicContact CZ3-CD1 4.22Å; W786-I882 HydrophobicContact CZ3-CG1 3.74Å |
| 787 | V | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.3 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | T409 K411 L415 H805 V865 L866 C867 | T409-V787 HydrophobicContact CG2-CB 4.37Å; T409-V787 HydrophobicContact CG2-CG2 3.66Å; T409-V787 CarbonylContact O-C 3.57Å; T409-V787 WeakPolarHBondContact O-CA 3.35Å; K411-V787 HydrophobicContact CB-CG1 4.28Å; L415-V787 HydrophobicContact CD1-CG2 3.88Å; V787-H805 WeakPolarHBondContact CG2-CE1 3.44Å; V787-H805 VanDerWaalsContact CG2-ND1 3.33Å; V787-H805 WeakPolarHBondContact CG2-ND1 3.37Å; V787-V865 PolarHBondContact N-O 2.93Å; V787-L866 HydrophobicContact CB-CD1 3.6Å; V787-L866 HydrophobicContact CG1-CD1 3.55Å; V787-L866 CarbonylContact O-C 3.59Å; V787-L866 WeakPolarHBondContact O-CA 3.15Å; V787-C867 PolarHBondContact O-N 3Å |
| 788 | L | 91.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 105.1 | 177.3 | -52.2 | -174 | 0 | 0 | 0 | 108.7 | F408 T409 C867 K875 V878 V879 M904 | F408-L788 HydrophobicContact CB-CD1 4.23Å; F408-L788 HydrophobicContact CD1-CD1 3.67Å; F408-L788 HydrophobicContact CD1-CG 4.1Å; F408-L788 HydrophobicContact CE1-CD1 4.48Å; F408-L788 HydrophobicContact CG-CD1 4.3Å; T409-L788 PolarHBondContact O-N 3.19Å; L788-C867 HydrophobicContact CD2-CB 3.58Å; L788-C867 VanDerWaalsContact CD2-SG 3.54Å; L788-K875 HydrophobicContact CB-CD 4.19Å; L788-K875 HydrophobicContact CB-CG 4.09Å; L788-K875 HydrophobicContact CD1-CB 4.3Å; L788-K875 WeakPolarHBondContact O-CE 3.3Å; L788-K875 PolarHBondContact O-NZ 3.09Å; L788-V878 HydrophobicContact CD1-CB 4.06Å; L788-V878 HydrophobicContact CD1-CG1 3.96Å; L788-V878 HydrophobicContact CD2-CG1 3.9Å; L788-V879 HydrophobicContact CD1-CG2 4.46Å; L788-M904 HydrophobicContact CB-SD 4.19Å; L788-M904 HydrophobicContact CD1-SD 3.84Å; L788-M904 HydrophobicContact CG-SD 4.39Å |
| 789 | T | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -126.2 | 150.4 | -174.5 | -170.4 | 0 | 0 | 0 | 0 | 113.5 | D410 K411 D791 A796 C867 C868 R869 S870 | D410-T789 WeakPolarHBondContact OD1-CA 3.45Å; K411-T789 HydrophobicContact CB-CG2 4.32Å; K411-T789 WeakPolarHBondContact CB-OG1 3.46Å; T789-D791 VanDerWaalsContact C-N 3.29Å; T789-D791 HydrophobicContact CG2-CB 4.19Å; T789-D791 PolarHBondContact OG1-N 3.43Å; T789-A796 HydrophobicContact CG2-CB 3.68Å; T789-C867 PolarHBondContact N-O 2.98Å; T789-C868 CarbonylContact O-C 3.51Å; T789-R869 PolarHBondContact O-N 2.75Å; T789-R869 VanDerWaalsContact O-N 3.12Å; T789-S870 VanDerWaalsContact C-OG 3.26Å; T789-S870 PolarHBondContact N-OG 3.09Å; T789-S870 PolarHBondContact O-N 3.39Å; T789-S870 PolarHBondContact O-OG 3.47Å | ||
| 790 | G | 76 | Confident | 83 | Confident | 39 Ų | 39 | 29.4 Ų | 29.4 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -80.2 | -8.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R869 | G790-R869 WeakPolarHBondContact O-CA 3.5Š|
| 791 | D | 74.2 | Confident | 82.6 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 23% | 0.225 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -74.6 | 167.4 | -174.5 | -158.2 | -0.8 | 0 | 0 | 0 | 112.8 | K411 T789 T795 R869 | K411-D791 IonicContact NZ-OD2 3.53Å; K411-D791 PolarHBondContact NZ-OD2 2.87Å; T789-D791 VanDerWaalsContact C-N 3.29Å; T789-D791 HydrophobicContact CG2-CB 4.19Å; T789-D791 PolarHBondContact OG1-N 3.43Å; D791-T795 WeakPolarHBondContact OD2-CB 3.34Å; D791-R869 PolarHBondContact O-N 2.95Å |
| 792 | K | 69.1 | Low | 82.1 | Confident | 74 Ų | 74 | 29.6 Ų | 29.6 | 32% | 0.322 | 16% | 0.164 | S | C | . | . | trans | -64.9 | 144 | 176.8 | -63.3 | 179.3 | -176.7 | 176.5 | 0 | 111 | E794 T795 A796 | K792-E794 PolarHBondContact O-N 2.88Å; K792-T795 PolarHBondContact O-N 2.9Å; K792-T795 VanDerWaalsContact O-N 3.11Å; K792-A796 WeakPolarHBondContact O-CB 3.35Å; K792-A796 PolarHBondContact O-N 2.72Å | ||
| 793 | E | 75.7 | Confident | 81.8 | Confident | 96 Ų | 96 | 27.5 Ų | 27.5 | 45% | 0.449 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -52.4 | -50.2 | -179.8 | -175.5 | -178.9 | 178.7 | 0 | 0 | 113.3 | T795 A796 V797 V837 C868 | E793-T795 VanDerWaalsContact C-N 3.31Å; E793-T795 PolarHBondContact O-N 3.18Å; E793-A796 PolarHBondContact O-N 3.14Å; E793-V797 HydrophobicContact CG-CG2 4.21Å; E793-V797 WeakPolarHBondContact O-CB 3.21Å; E793-V797 WeakPolarHBondContact O-CG2 3.48Å; E793-V797 PolarHBondContact O-N 2.76Å; E793-V837 HydrophobicContact CG-CG1 3.92Å; E793-C868 HydrophobicContact CB-CB 4.02Å; E793-C868 HydrophobicContact CG-CB 4.48Å |
| 794 | E | 69.3 | Low | 81.1 | Confident | 105 Ų | 105 | 28.6 Ų | 28.6 | 49% | 0.491 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -49.2 | -49.3 | 175.8 | -61.5 | 161.9 | 179.5 | 0 | 0 | 111.7 | K622 K792 N798 | K622-E794 IonicContact NZ-OE1 3.26Å; K622-E794 PolarHBondContact NZ-OE1 2.83Å; K792-E794 PolarHBondContact O-N 2.88Å; E794-N798 WeakPolarHBondContact O-CB 3.4Å; E794-N798 VanDerWaalsContact O-CG 3.3Å; E794-N798 PolarHBondContact O-N 3.26Å; E794-N798 PolarHBondContact O-OD1 3.31Å |
| 795 | T | 72.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.2 | -37.2 | 178.8 | -27.8 | 0 | 0 | 0 | 0 | 112.6 | R708 D791 K792 E793 I799 | R708-T795 PolarHBondContact NH2-OG1 3.18Å; D791-T795 WeakPolarHBondContact OD2-CB 3.34Å; K792-T795 PolarHBondContact O-N 2.9Å; K792-T795 VanDerWaalsContact O-N 3.11Å; E793-T795 VanDerWaalsContact C-N 3.31Å; E793-T795 PolarHBondContact O-N 3.18Å; T795-I799 WeakPolarHBondContact O-CG1 3.45Å; T795-I799 PolarHBondContact O-N 3.3Å; T795-I799 VanDerWaalsContact O-N 3.07Å |
| 796 | A | 80.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.4 | -36.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T789 K792 E793 S800 L866 | T789-A796 HydrophobicContact CG2-CB 3.68Å; K792-A796 WeakPolarHBondContact O-CB 3.35Å; K792-A796 PolarHBondContact O-N 2.72Å; E793-A796 PolarHBondContact O-N 3.14Å; A796-S800 WeakPolarHBondContact O-CB 3.44Å; A796-S800 PolarHBondContact O-N 3.46Å; A796-S800 VanDerWaalsContact O-N 3.09Å; A796-S800 PolarHBondContact O-OG 3.46Å; A796-L866 HydrophobicContact CB-CD1 4.12Å; A796-L866 HydrophobicContact CB-CD2 4.09Å; A796-L866 HydrophobicContact CB-CG 4.43Å |
| 797 | V | 79.5 | Confident | 78 | Confident | 26 Ų | 26 | 33 Ų | 33 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 172.6 | 168.1 | 0 | 0 | 0 | 0 | 110 | E793 I799 S800 Y801 V837 L866 | E793-V797 HydrophobicContact CG-CG2 4.21Å; E793-V797 WeakPolarHBondContact O-CB 3.21Å; E793-V797 WeakPolarHBondContact O-CG2 3.48Å; E793-V797 PolarHBondContact O-N 2.76Å; V797-I799 PolarHBondContact O-N 2.8Å; V797-S800 WeakPolarHBondContact O-CA 3.45Å; V797-S800 WeakPolarHBondContact O-CB 3.16Å; V797-S800 PolarHBondContact O-N 3.5Å; V797-Y801 HydrophobicContact CG1-CD2 3.98Å; V797-Y801 HydrophobicContact CG1-CE2 3.33Å; V797-Y801 WeakPolarHBondContact O-CD2 3.39Å; V797-Y801 PolarHBondContact O-N 2.83Å; V797-V837 HydrophobicContact CG2-CG1 4.19Å; V797-V837 HydrophobicContact CG2-CG2 4.22Å; V797-L866 HydrophobicContact CB-CD2 4.38Å; V797-L866 HydrophobicContact CG2-CD2 3.65Å |
| 798 | N | 76.8 | Confident | 76.1 | Confident | 29 Ų | 29 | 38.5 Ų | 38.5 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -49.9 | 177.2 | -79.4 | 19.4 | 0 | 0 | 0 | 112.7 | G706 L707 E794 S800 Y801 S802 | G706-N798 WeakPolarHBondContact O-CB 3.42Å; L707-N798 PolarHBondContact O-ND2 3.39Å; L707-N798 VanDerWaalsContact O-ND2 3.11Å; E794-N798 WeakPolarHBondContact O-CB 3.4Å; E794-N798 VanDerWaalsContact O-CG 3.3Å; E794-N798 PolarHBondContact O-N 3.26Å; E794-N798 PolarHBondContact O-OD1 3.31Å; N798-S800 VanDerWaalsContact C-N 3.25Å; N798-S800 PolarHBondContact O-N 3.47Å; N798-Y801 PolarHBondContact O-N 3.17Å; N798-Y801 VanDerWaalsContact O-N 3.11Å; N798-S802 PolarHBondContact O-N 2.96Å; N798-S802 PolarHBondContact O-OG 2.9Å |
| 799 | I | 82.7 | Confident | 74.1 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -36.4 | 174.5 | -73.7 | -60.2 | 0 | 0 | 0 | 111.9 | K411 T416 D765 L767 T795 V797 Y801 S802 A803 | K411-I799 HydrophobicContact CD-CB 4Å; K411-I799 HydrophobicContact CD-CG1 3.83Å; K411-I799 HydrophobicContact CD-CG2 4.07Å; K411-I799 HydrophobicContact CG-CB 4.08Å; K411-I799 HydrophobicContact CG-CG1 4.28Å; K411-I799 HydrophobicContact CG-CG2 3.58Å; T416-I799 HydrophobicContact CG2-CD1 3.62Å; T416-I799 HydrophobicContact CG2-CG1 4.09Å; T416-I799 HydrophobicContact CG2-CG2 4.4Å; D765-I799 HydrophobicContact CB-CD1 3.79Å; D765-I799 HydrophobicContact CB-CG1 4.46Å; D765-I799 VanDerWaalsContact O-CD1 3.23Å; D765-I799 WeakPolarHBondContact O-CD1 3.48Å; L767-I799 HydrophobicContact CD2-CD1 4.06Å; L767-I799 HydrophobicContact CD2-CG2 4.05Å; T795-I799 WeakPolarHBondContact O-CG1 3.45Å; T795-I799 PolarHBondContact O-N 3.3Å; T795-I799 VanDerWaalsContact O-N 3.07Å; V797-I799 PolarHBondContact O-N 2.8Å; I799-Y801 VanDerWaalsContact C-N 3.31Å; I799-Y801 PolarHBondContact O-N 2.78Å; I799-S802 PolarHBondContact O-N 3.49Å; I799-A803 WeakPolarHBondContact O-CB 3.12Å; I799-A803 PolarHBondContact O-N 3.19Å |
| 800 | S | 82.8 | Confident | 72.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -30.9 | 177 | -65.7 | 0 | 0 | 0 | 0 | 113 | A796 V797 N798 H805 F806 | A796-S800 WeakPolarHBondContact O-CB 3.44Å; A796-S800 PolarHBondContact O-N 3.46Å; A796-S800 VanDerWaalsContact O-N 3.09Å; A796-S800 PolarHBondContact O-OG 3.46Å; V797-S800 WeakPolarHBondContact O-CA 3.45Å; V797-S800 WeakPolarHBondContact O-CB 3.16Å; V797-S800 PolarHBondContact O-N 3.5Å; N798-S800 VanDerWaalsContact C-N 3.25Å; N798-S800 PolarHBondContact O-N 3.47Å; S800-H805 WeakPolarHBondContact O-CA 3.44Å; S800-H805 WeakPolarHBondContact O-CB 3.37Å; S800-H805 PolarHBondContact O-N 2.92Å; S800-H805 PolarHBondContact OG-ND1 3.23Å; S800-F806 PolarHBondContact O-N 3.1Å |
| 801 | Y | 78.7 | Confident | 70.7 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.9 | -53.2 | 169.4 | -67.7 | -51.7 | 0 | 0 | 0 | 111.5 | V797 N798 I799 A803 G804 F806 | V797-Y801 HydrophobicContact CG1-CD2 3.98Å; V797-Y801 HydrophobicContact CG1-CE2 3.33Å; V797-Y801 WeakPolarHBondContact O-CD2 3.39Å; V797-Y801 PolarHBondContact O-N 2.83Å; N798-Y801 PolarHBondContact O-N 3.17Å; N798-Y801 VanDerWaalsContact O-N 3.11Å; I799-Y801 VanDerWaalsContact C-N 3.31Å; I799-Y801 PolarHBondContact O-N 2.78Å; Y801-A803 PolarHBondContact O-N 3.13Å; Y801-A803 VanDerWaalsContact O-N 3.16Å; Y801-G804 PolarHBondContact O-N 3.15Å; Y801-F806 HydrophobicContact CD1-CB 4.03Å; Y801-F806 WeakPolarHBondContact CD1-O 3.36Å; Y801-F806 HydrophobicContact CE1-CB 3.87Å |
| 802 | S | 79 | Confident | 69.4 | Low | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -33.4 | -180 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | L767 N798 I799 G804 | L767-S802 WeakPolarHBondContact CD1-O 3.4Å; N798-S802 PolarHBondContact O-N 2.96Å; N798-S802 PolarHBondContact O-OG 2.9Å; I799-S802 PolarHBondContact O-N 3.49Å; S802-G804 VanDerWaalsContact C-N 3.34Å |
| 803 | A | 82.1 | Confident | 68.7 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L767 V771 I775 I799 Y801 H805 | L767-A803 HydrophobicContact CD1-CB 4.09Å; L767-A803 HydrophobicContact CD2-CB 4.25Å; V771-A803 HydrophobicContact CG1-CB 4.11Å; I775-A803 HydrophobicContact CD1-CB 3.89Å; I799-A803 WeakPolarHBondContact O-CB 3.12Å; I799-A803 PolarHBondContact O-N 3.19Å; Y801-A803 PolarHBondContact O-N 3.13Å; Y801-A803 VanDerWaalsContact O-N 3.16Å; A803-H805 PolarHBondContact O-N 3.4Å |
| 804 | G | 75.6 | Confident | 68 | Low | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 21.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | R779 Y801 S802 | R779-G804 PolarHBondContact NH1-O 2.97Å; Y801-G804 PolarHBondContact O-N 3.15Å; S802-G804 VanDerWaalsContact C-N 3.34Å |
| 805 | H | 78.8 | Confident | 67.8 | Low | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -84.2 | -38.2 | 179.2 | 177.3 | -135.2 | 0 | 0 | 0 | 111.4 | V785 V787 S800 A803 T864 V865 | V785-H805 PolarHBondContact O-NE2 3Å; V787-H805 WeakPolarHBondContact CG2-CE1 3.44Å; V787-H805 VanDerWaalsContact CG2-ND1 3.33Å; V787-H805 WeakPolarHBondContact CG2-ND1 3.37Å; S800-H805 WeakPolarHBondContact O-CA 3.44Å; S800-H805 WeakPolarHBondContact O-CB 3.37Å; S800-H805 PolarHBondContact O-N 2.92Å; S800-H805 PolarHBondContact OG-ND1 3.23Å; A803-H805 PolarHBondContact O-N 3.4Å; H805-T864 WeakPolarHBondContact O-CG2 3.42Å; H805-T864 PolarHBondContact O-OG1 3.34Å; H805-V865 PolarHBondContact CE1-O 3.39Å |
| 806 | F | 71.5 | Confident | 67.4 | Low | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | trans | -118.9 | 150.3 | 178.1 | -88.8 | -117.2 | 0 | 0 | 0 | 112 | S800 Y801 I836 V837 L866 | S800-F806 PolarHBondContact O-N 3.1Å; Y801-F806 HydrophobicContact CD1-CB 4.03Å; Y801-F806 WeakPolarHBondContact CD1-O 3.36Å; Y801-F806 HydrophobicContact CE1-CB 3.87Å; F806-I836 WeakPolarHBondContact CZ-O 3.33Å; F806-V837 HydrophobicContact CE1-CG2 3.77Å; F806-V837 HydrophobicContact CZ-CG2 4.25Å; F806-L866 HydrophobicContact CE2-CB 3.77Å; F806-L866 HydrophobicContact CZ-CB 3.63Å | ||
| 807 | Y | 61.7 | Low | 66.8 | Low | 139 Ų | 139 | 60.6 Ų | 60.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | trans | -114.1 | 157.7 | 158.7 | -66.1 | -71.2 | 0 | 0 | 0 | 107.4 | V809 Q833 | Y807-V809 VanDerWaalsContact O-CG2 3.23Å; Y807-V809 WeakPolarHBondContact O-CG2 3.41Å; Y807-V809 PolarHBondContact O-N 3.46Å; Y807-Q833 VanDerWaalsContact CD2-OE1 3.31Å | ||
| 808 | P | 51.4 | Low | 66.3 | Low | 116 Ų | 116 | 60.3 Ų | 60.3 | 75% | 0.753 | 32% | 0.324 | S | S | * | . | trans | -62 | 108.7 | -167.6 | 19.9 | -32.2 | 0 | 0 | 0 | 113.4 | ||||
| 809 | V | 50 | Low | 65.9 | Low | 43 Ų | 43 | 59.5 Ų | 59.5 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | trans | -115.4 | 128.5 | -179.5 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | Y807 C811 F834 G835 | Y807-V809 VanDerWaalsContact O-CG2 3.23Å; Y807-V809 WeakPolarHBondContact O-CG2 3.41Å; Y807-V809 PolarHBondContact O-N 3.46Å; V809-C811 PolarHBondContact O-N 2.98Å; V809-F834 HydrophobicContact CG1-CD1 4.32Å; V809-G835 WeakPolarHBondContact CG1-O 3.42Å | ||
| 810 | K | 46.4 | Very low | 65.5 | Low | 198 Ų | 198 | 64.8 Ų | 64.8 | 86% | 0.861 | 34% | 0.344 | S | S | * | . | trans | -82.9 | 92.3 | 173.9 | -67.9 | 179.2 | 179.3 | 175.9 | 0 | 110.4 | ||||
| 811 | C | 47 | Very low | 65 | Low | 69 Ų | 69 | 71.4 Ų | 71.4 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | trans | -73 | 130.7 | 172.3 | -156.4 | 0 | 0 | 0 | 0 | 110.5 | V809 | V809-C811 PolarHBondContact O-N 2.98Š| ||
| 812 | G | 46.5 | Very low | 64.6 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | trans | -109.7 | 157.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F814 | G812-F814 VanDerWaalsContact C-N 3.27Å; G812-F814 PolarHBondContact O-N 3.35Å | ||
| 813 | S | 54.5 | Low | 64.4 | Low | 112 Ų | 112 | 71.5 Ų | 71.5 | 78% | 0.783 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -65.4 | -7.5 | -164.6 | 50.6 | 0 | 0 | 0 | 0 | 118.2 | ||
| 814 | F | 60.9 | Low | 64.1 | Low | 147 Ų | 147 | 77.1 Ų | 77.1 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | trans | -128.5 | 114 | -175.6 | -66.7 | -77.4 | 0 | 0 | 0 | 112.4 | G812 K816 S817 Q818 | G812-F814 VanDerWaalsContact C-N 3.27Å; G812-F814 PolarHBondContact O-N 3.35Å; F814-K816 VanDerWaalsContact C-N 3.28Å; F814-K816 PolarHBondContact O-N 2.97Å; F814-K816 VanDerWaalsContact O-N 3.15Å; F814-S817 PolarHBondContact O-N 3.09Å; F814-S817 VanDerWaalsContact O-N 3.12Å; F814-S817 PolarHBondContact O-OG 3Å; F814-Q818 PolarHBondContact O-N 3.5Å; F814-Q818 VanDerWaalsContact O-N 3.16Å | ||
| 815 | L | 64.2 | Low | 63.9 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.9 | -39.6 | -177.6 | -73 | 171.8 | 0 | 0 | 0 | 114 | Q818 I819 I851 | L815-Q818 PolarHBondContact O-N 3.37Å; L815-I819 WeakPolarHBondContact O-CG1 3.19Å; L815-I819 PolarHBondContact O-N 3.43Å; L815-I851 HydrophobicContact CD1-CG2 4.15Å |
| 816 | K | 64.8 | Low | 63.5 | Low | 142 Ų | 142 | 80.1 Ų | 80.1 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 178.7 | -73.6 | -173.4 | 174.7 | -174 | 0 | 112.4 | F814 Q818 I819 E820 L854 | F814-K816 VanDerWaalsContact C-N 3.28Å; F814-K816 PolarHBondContact O-N 2.97Å; F814-K816 VanDerWaalsContact O-N 3.15Å; K816-Q818 VanDerWaalsContact C-N 3.25Å; K816-Q818 PolarHBondContact O-N 3.49Å; K816-I819 PolarHBondContact O-N 3.34Å; K816-I819 VanDerWaalsContact O-N 3.15Å; K816-E820 PolarHBondContact O-N 3.02Å; K816-L854 HydrophobicContact CD-CD2 4.26Å; K816-L854 HydrophobicContact CG-CD2 3.62Å |
| 817 | S | 67.8 | Low | 63.7 | Low | 36 Ų | 36 | 88.1 Ų | 88.1 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.1 | -23.4 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | F814 R821 | F814-S817 PolarHBondContact O-N 3.09Å; F814-S817 VanDerWaalsContact O-N 3.12Å; F814-S817 PolarHBondContact O-OG 3Å; S817-R821 WeakPolarHBondContact O-CB 3.44Å; S817-R821 WeakPolarHBondContact O-CD 3.47Å; S817-R821 WeakPolarHBondContact O-CG 3.32Å; S817-R821 PolarHBondContact O-N 2.94Å; S817-R821 VanDerWaalsContact O-N 3.09Å |
| 818 | Q | 68.9 | Low | 64.4 | Low | 20 Ų | 20 | 91.7 Ų | 91.7 | 9% | 0.093 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.4 | -44.3 | 168.9 | -61.1 | -53.8 | -72.1 | 0 | 0 | 111.6 | F814 L815 K816 E820 R821 I822 | F814-Q818 PolarHBondContact O-N 3.5Å; F814-Q818 VanDerWaalsContact O-N 3.16Å; L815-Q818 PolarHBondContact O-N 3.37Å; K816-Q818 VanDerWaalsContact C-N 3.25Å; K816-Q818 PolarHBondContact O-N 3.49Å; Q818-E820 VanDerWaalsContact C-N 3.33Å; Q818-E820 PolarHBondContact O-N 3.14Å; Q818-R821 PolarHBondContact O-N 3.23Å; Q818-I822 WeakPolarHBondContact O-CB 3.29Å; Q818-I822 WeakPolarHBondContact O-CD1 3.36Å; Q818-I822 WeakPolarHBondContact O-CG1 3.43Å; Q818-I822 PolarHBondContact O-N 3.01Å |
| 819 | I | 69.5 | Low | 65.3 | Low | 12 Ų | 12 | 90 Ų | 90 | 6% | 0.062 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 177.1 | -64.9 | 164.4 | 0 | 0 | 0 | 111 | L815 K816 K823 L854 C858 | L815-I819 WeakPolarHBondContact O-CG1 3.19Å; L815-I819 PolarHBondContact O-N 3.43Å; K816-I819 PolarHBondContact O-N 3.34Å; K816-I819 VanDerWaalsContact O-N 3.15Å; I819-K823 HydrophobicContact CG2-CD 4.32Å; I819-K823 WeakPolarHBondContact O-CG 3.42Å; I819-K823 PolarHBondContact O-N 3.35Å; I819-K823 VanDerWaalsContact O-N 3.11Å; I819-L854 HydrophobicContact CD1-CB 4.48Å; I819-C858 HydrophobicContact CD1-CB 4.01Å; I819-C858 HydrophobicContact CG1-CB 3.74Å |
| 820 | E | 73.5 | Confident | 66.1 | Low | 114 Ų | 114 | 91.9 Ų | 91.9 | 53% | 0.533 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 175.8 | -73.3 | 160.2 | -179.1 | 0 | 0 | 111 | K816 Q818 I822 K823 E824 | K816-E820 PolarHBondContact O-N 3.02Å; Q818-E820 VanDerWaalsContact C-N 3.33Å; Q818-E820 PolarHBondContact O-N 3.14Å; E820-I822 PolarHBondContact O-N 3.3Å; E820-K823 WeakPolarHBondContact O-CB 3.28Å; E820-K823 PolarHBondContact O-N 2.84Å; E820-K823 VanDerWaalsContact O-N 3.09Å; E820-E824 WeakPolarHBondContact O-CG 3.2Å; E820-E824 PolarHBondContact O-N 3.49Å |
| 821 | R | 72.2 | Confident | 67 | Low | 141 Ų | 141 | 89.1 Ų | 89.1 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58 | -42 | 177.1 | -74.5 | 171.3 | -178 | -167.6 | 1.4 | 113.7 | S817 Q818 K823 E824 S825 | S817-R821 WeakPolarHBondContact O-CB 3.44Å; S817-R821 WeakPolarHBondContact O-CD 3.47Å; S817-R821 WeakPolarHBondContact O-CG 3.32Å; S817-R821 PolarHBondContact O-N 2.94Å; S817-R821 VanDerWaalsContact O-N 3.09Å; Q818-R821 PolarHBondContact O-N 3.23Å; R821-K823 VanDerWaalsContact C-N 3.29Å; R821-K823 PolarHBondContact O-N 2.88Å; R821-E824 PolarHBondContact O-N 2.8Å; R821-S825 WeakPolarHBondContact O-CB 3.48Å; R821-S825 PolarHBondContact O-N 3.22Å; R821-S825 PolarHBondContact O-OG 2.9Å |
| 822 | I | 70.2 | Confident | 67.9 | Low | 6 Ų | 6 | 87.7 Ų | 87.7 | 3% | 0.031 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 178.4 | -68.9 | 163 | 0 | 0 | 0 | 110.8 | Q818 E820 S825 K826 F834 E861 | Q818-I822 WeakPolarHBondContact O-CB 3.29Å; Q818-I822 WeakPolarHBondContact O-CD1 3.36Å; Q818-I822 WeakPolarHBondContact O-CG1 3.43Å; Q818-I822 PolarHBondContact O-N 3.01Å; E820-I822 PolarHBondContact O-N 3.3Å; I822-S825 WeakPolarHBondContact CA-OG 3.16Å; I822-S825 PolarHBondContact O-OG 3.43Å; I822-S825 VanDerWaalsContact O-OG 3.06Å; I822-K826 HydrophobicContact CG2-CD 4.29Å; I822-K826 WeakPolarHBondContact O-CB 3.46Å; I822-K826 WeakPolarHBondContact O-CG 3.42Å; I822-K826 PolarHBondContact O-N 3.27Å; I822-F834 HydrophobicContact CD1-CB 4.37Å; I822-F834 HydrophobicContact CG1-CB 4.1Å; I822-F834 HydrophobicContact CG1-CD1 3.84Å; I822-F834 HydrophobicContact CG1-CD2 4.35Å; I822-F834 HydrophobicContact CG1-CE1 4.45Å; I822-F834 HydrophobicContact CG1-CG 3.79Å; I822-F834 HydrophobicContact CG2-CD2 4.24Å; I822-F834 HydrophobicContact CG2-CG 4.39Å; I822-E861 HydrophobicContact CG2-CB 4.07Å |
| 823 | K | 74.1 | Confident | 69 | Low | 93 Ų | 93 | 90.5 Ų | 90.5 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.3 | -46.2 | 175.6 | -73.3 | 175.8 | 177.3 | -174.1 | 0 | 111.6 | I819 E820 R821 K826 M827 | I819-K823 HydrophobicContact CG2-CD 4.32Å; I819-K823 WeakPolarHBondContact O-CG 3.42Å; I819-K823 PolarHBondContact O-N 3.35Å; I819-K823 VanDerWaalsContact O-N 3.11Å; E820-K823 WeakPolarHBondContact O-CB 3.28Å; E820-K823 PolarHBondContact O-N 2.84Å; E820-K823 VanDerWaalsContact O-N 3.09Å; R821-K823 VanDerWaalsContact C-N 3.29Å; R821-K823 PolarHBondContact O-N 2.88Å; K823-K826 PolarHBondContact O-N 3.35Å; K823-M827 PolarHBondContact O-N 3.29Å; K823-M827 VanDerWaalsContact O-N 3.13Å |
| 824 | E | 77.5 | Confident | 69.9 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.2 | -50.1 | 176.7 | -71.8 | 170 | 173 | 0 | 0 | 111.1 | E820 R821 K826 M827 Y828 | E820-E824 WeakPolarHBondContact O-CG 3.2Å; E820-E824 PolarHBondContact O-N 3.49Å; R821-E824 PolarHBondContact O-N 2.8Å; E824-K826 PolarHBondContact O-N 3.47Å; E824-M827 WeakPolarHBondContact O-CB 3.2Å; E824-M827 PolarHBondContact O-N 2.84Å; E824-M827 VanDerWaalsContact O-N 3.14Å; E824-Y828 VanDerWaalsContact O-CD2 3.22Å; E824-Y828 WeakPolarHBondContact O-CD2 3.5Å; E824-Y828 PolarHBondContact O-N 3.37Å |
| 825 | S | 71.1 | Confident | 70.6 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 19% | 0.189 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | R821 I822 M827 Y828 D829 F834 | R821-S825 WeakPolarHBondContact O-CB 3.48Å; R821-S825 PolarHBondContact O-N 3.22Å; R821-S825 PolarHBondContact O-OG 2.9Å; I822-S825 WeakPolarHBondContact CA-OG 3.16Å; I822-S825 PolarHBondContact O-OG 3.43Å; I822-S825 VanDerWaalsContact O-OG 3.06Å; S825-M827 PolarHBondContact O-N 3.09Å; S825-Y828 PolarHBondContact O-N 2.81Å; S825-Y828 VanDerWaalsContact O-N 3.11Å; S825-D829 PolarHBondContact O-N 3.23Å; S825-F834 VanDerWaalsContact CB-CZ 3.49Å; S825-F834 WeakPolarHBondContact OG-CE2 3.27Å; S825-F834 WeakPolarHBondContact OG-CZ 3.33Å |
| 826 | K | 69.9 | Low | 71.5 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 27% | 0.274 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -24.9 | 175.8 | -78.4 | -179.5 | -177.8 | -170.8 | 0 | 113 | I822 K823 E824 E861 | I822-K826 HydrophobicContact CG2-CD 4.29Å; I822-K826 WeakPolarHBondContact O-CB 3.46Å; I822-K826 WeakPolarHBondContact O-CG 3.42Å; I822-K826 PolarHBondContact O-N 3.27Å; K823-K826 PolarHBondContact O-N 3.35Å; E824-K826 PolarHBondContact O-N 3.47Å; K826-E861 PolarHBondContact NZ-O 3.03Å; K826-E861 IonicContact NZ-OE2 3.6Å; K826-E861 PolarHBondContact NZ-OE2 3.05Å |
| 827 | M | 76.3 | Confident | 72.5 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 85% | 0.852 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -74.8 | -27.4 | 175.6 | -169.4 | 175.5 | 176 | 0 | 0 | 112.3 | K823 E824 S825 | K823-M827 PolarHBondContact O-N 3.29Å; K823-M827 VanDerWaalsContact O-N 3.13Å; E824-M827 WeakPolarHBondContact O-CB 3.2Å; E824-M827 PolarHBondContact O-N 2.84Å; E824-M827 VanDerWaalsContact O-N 3.14Å; S825-M827 PolarHBondContact O-N 3.09Å |
| 828 | Y | 76.6 | Confident | 73.3 | Confident | 215 Ų | 215 | 72.3 Ų | 72.3 | 84% | 0.843 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -85.7 | -42.4 | 172.9 | -72.2 | -74.4 | 0 | 0 | 0 | 112.9 | E824 S825 | E824-Y828 VanDerWaalsContact O-CD2 3.22Å; E824-Y828 WeakPolarHBondContact O-CD2 3.5Å; E824-Y828 PolarHBondContact O-N 3.37Å; S825-Y828 PolarHBondContact O-N 2.81Å; S825-Y828 VanDerWaalsContact O-N 3.11Å |
| 829 | D | 69.5 | Low | 74.1 | Confident | 81 Ų | 81 | 73 Ų | 73 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | trans | -144.7 | 110.3 | 177.9 | 174.4 | 12.1 | 0 | 0 | 0 | 110.3 | S825 D831 T832 | S825-D829 PolarHBondContact O-N 3.23Å; D829-D831 PolarHBondContact O-N 3.43Å; D829-D831 PolarHBondContact OD1-N 3.07Å; D829-T832 HydrophobicContact CB-CG2 3.77Å; D829-T832 WeakPolarHBondContact O-CB 3.18Å; D829-T832 PolarHBondContact O-N 3.5Å; D829-T832 PolarHBondContact O-OG1 3.38Å | ||
| 830 | A | 66.3 | Low | 74.6 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T832 | A830-T832 VanDerWaalsContact C-N 3.34Š|
| 831 | D | 65.5 | Low | 75.1 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.9 | 178.9 | -82.2 | -21.6 | 0 | 0 | 0 | 112.8 | D829 Q833 | D829-D831 PolarHBondContact O-N 3.43Å; D829-D831 PolarHBondContact OD1-N 3.07Å; D831-Q833 WeakPolarHBondContact O-CG 3.31Å; D831-Q833 PolarHBondContact O-N 2.77Å |
| 832 | T | 66.7 | Low | 75.7 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | trans | -61.7 | 121 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | D829 A830 F834 | D829-T832 HydrophobicContact CB-CG2 3.77Å; D829-T832 WeakPolarHBondContact O-CB 3.18Å; D829-T832 PolarHBondContact O-N 3.5Å; D829-T832 PolarHBondContact O-OG1 3.38Å; A830-T832 VanDerWaalsContact C-N 3.34Å; T832-F834 WeakPolarHBondContact OG1-CE2 3.43Å | ||
| 833 | Q | 68.2 | Low | 76.5 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | trans | -96.8 | 125.4 | -173.7 | -56.3 | -173.4 | 0.4 | 0 | 0 | 111.5 | R779 Y807 D831 T863 | R779-Q833 VanDerWaalsContact NH2-CD 3.31Å; Y807-Q833 VanDerWaalsContact CD2-OE1 3.31Å; D831-Q833 WeakPolarHBondContact O-CG 3.31Å; D831-Q833 PolarHBondContact O-N 2.77Å; Q833-T863 HydrophobicContact CB-CG2 4.25Å; Q833-T863 HydrophobicContact CG-CG2 4.39Å | ||
| 834 | F | 73.4 | Confident | 77 | Confident | 45 Ų | 45 | 69.4 Ų | 69.4 | 20% | 0.197 | 36% | 0.36 | C | S | . | . | trans | -115.2 | 119 | -179.8 | -71.8 | -85.6 | 0 | 0 | 0 | 111.5 | V809 I822 S825 T832 S862 T863 T864 | V809-F834 HydrophobicContact CG1-CD1 4.32Å; I822-F834 HydrophobicContact CD1-CB 4.37Å; I822-F834 HydrophobicContact CG1-CB 4.1Å; I822-F834 HydrophobicContact CG1-CD1 3.84Å; I822-F834 HydrophobicContact CG1-CD2 4.35Å; I822-F834 HydrophobicContact CG1-CE1 4.45Å; I822-F834 HydrophobicContact CG1-CG 3.79Å; I822-F834 HydrophobicContact CG2-CD2 4.24Å; I822-F834 HydrophobicContact CG2-CG 4.39Å; S825-F834 VanDerWaalsContact CB-CZ 3.49Å; S825-F834 WeakPolarHBondContact OG-CE2 3.27Å; S825-F834 WeakPolarHBondContact OG-CZ 3.33Å; T832-F834 WeakPolarHBondContact OG1-CE2 3.43Å; F834-S862 WeakPolarHBondContact O-CB 3.46Å; F834-T863 PolarHBondContact N-OG1 3.02Å; F834-T863 VanDerWaalsContact N-OG1 3.09Å; F834-T863 PolarHBondContact O-N 2.87Å; F834-T863 PolarHBondContact O-OG1 3.46Å; F834-T864 PolarHBondContact O-N 3.45Å | ||
| 835 | G | 77.3 | Confident | 77.4 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | V809 T864 | V809-G835 WeakPolarHBondContact CG1-O 3.42Å; G835-T864 CarbonylContact C-O 3.48Å; G835-T864 VanDerWaalsContact CA-O 3.31Å; G835-T864 WeakPolarHBondContact CA-O 3.5Å |
| 836 | I | 82.2 | Confident | 78 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.6 | 174.2 | -68.7 | 174.5 | 0 | 0 | 0 | 109.6 | F806 I838 C858 T864 V865 L866 | F806-I836 WeakPolarHBondContact CZ-O 3.33Å; I836-I838 HydrophobicContact CG2-CD1 3.52Å; I836-I838 HydrophobicContact CG2-CG1 3.63Å; I836-C858 HydrophobicContact CD1-CB 4.12Å; I836-C858 WeakPolarHBondContact CD1-O 3.45Å; I836-C858 VanDerWaalsContact CD1-SG 3.51Å; I836-T864 PolarHBondContact N-O 3.19Å; I836-V865 HydrophobicContact CB-CG1 4.43Å; I836-V865 HydrophobicContact CB-CG2 4.38Å; I836-V865 HydrophobicContact CG2-CG1 4.41Å; I836-V865 CarbonylContact O-C 3.43Å; I836-V865 WeakPolarHBondContact O-CA 3.28Å; I836-L866 PolarHBondContact O-N 3.44Å |
| 837 | V | 85.1 | Confident | 78.7 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.5 | 170.5 | -173 | 0 | 0 | 0 | 0 | 108.7 | E793 V797 F806 L866 | E793-V837 HydrophobicContact CG-CG1 3.92Å; V797-V837 HydrophobicContact CG2-CG1 4.19Å; V797-V837 HydrophobicContact CG2-CG2 4.22Å; F806-V837 HydrophobicContact CE1-CG2 3.77Å; F806-V837 HydrophobicContact CZ-CG2 4.25Å; V837-L866 WeakPolarHBondContact CA-O 3.44Å; V837-L866 HydrophobicContact CG1-CD2 4.2Å; V837-L866 HydrophobicContact CG2-CB 4.36Å; V837-L866 HydrophobicContact CG2-CD2 4.24Å |
| 838 | I | 85.6 | Confident | 79.2 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.9 | 179.7 | -66.3 | 167 | 0 | 0 | 0 | 109.1 | I836 L843 L855 L866 C867 C868 | I836-I838 HydrophobicContact CG2-CD1 3.52Å; I836-I838 HydrophobicContact CG2-CG1 3.63Å; I838-L843 HydrophobicContact CG2-CB 3.97Å; I838-L843 HydrophobicContact CG2-CD1 4.43Å; I838-L855 HydrophobicContact CD1-CD1 3.46Å; I838-L855 VanDerWaalsContact CD1-CD1 3.46Å; I838-L866 PolarHBondContact N-O 2.87Å; I838-C867 CarbonylContact O-C 3.48Å; I838-C867 WeakPolarHBondContact O-CA 3.48Å; I838-C868 PolarHBondContact O-N 2.76Å |
| 839 | D | 84.8 | Confident | 79.5 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 157.1 | 174 | 83.9 | -69.8 | 0 | 0 | 0 | 112.4 | Q841 S842 L843 C868 | D839-Q841 PolarHBondContact O-N 3.42Å; D839-Q841 VanDerWaalsContact O-N 3.12Å; D839-Q841 WeakPolarHBondContact OD2-CA 3.2Å; D839-Q841 WeakPolarHBondContact OD2-CB 3.45Å; D839-Q841 PolarHBondContact OD2-N 3.33Å; D839-S842 PolarHBondContact O-N 2.83Å; D839-S842 WeakPolarHBondContact OD1-CB 3.43Å; D839-S842 PolarHBondContact OD1-N 3.36Å; D839-S842 PolarHBondContact OD1-OG 3.39Å; D839-S842 PolarHBondContact OD2-N 3.21Å; D839-L843 WeakPolarHBondContact O-CB 3.45Å; D839-L843 PolarHBondContact O-N 2.99Å; D839-C868 CarbonylContact C-O 3.47Å; D839-C868 WeakPolarHBondContact CA-O 3.47Å |
| 840 | G | 80.8 | Confident | 80.2 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -21.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N844 C868 Q874 | G840-N844 PolarHBondContact O-N 3.29Å; G840-C868 PolarHBondContact N-O 3.07Å; G840-Q874 PolarHBondContact O-NE2 3.4Å |
| 841 | Q | 84.1 | Confident | 81 | Confident | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.9 | -47.2 | 174.2 | -55.6 | -173.9 | -8.5 | 0 | 0 | 110.7 | D839 L843 N844 Y845 | D839-Q841 PolarHBondContact O-N 3.42Å; D839-Q841 VanDerWaalsContact O-N 3.12Å; D839-Q841 WeakPolarHBondContact OD2-CA 3.2Å; D839-Q841 WeakPolarHBondContact OD2-CB 3.45Å; D839-Q841 PolarHBondContact OD2-N 3.33Å; Q841-L843 PolarHBondContact O-N 2.96Å; Q841-N844 WeakPolarHBondContact O-CB 3.37Å; Q841-N844 PolarHBondContact O-N 2.66Å; Q841-Y845 WeakPolarHBondContact O-CD2 3.46Å |
| 842 | S | 85.5 | Confident | 82 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 172.6 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | D839 N844 Y845 A846 | D839-S842 PolarHBondContact O-N 2.83Å; D839-S842 WeakPolarHBondContact OD1-CB 3.43Å; D839-S842 PolarHBondContact OD1-N 3.36Å; D839-S842 PolarHBondContact OD1-OG 3.39Å; D839-S842 PolarHBondContact OD2-N 3.21Å; S842-N844 VanDerWaalsContact C-N 3.34Å; S842-N844 PolarHBondContact O-N 3.29Å; S842-Y845 PolarHBondContact O-N 2.93Å; S842-A846 WeakPolarHBondContact O-CB 3.43Å; S842-A846 PolarHBondContact O-N 3.45Å |
| 843 | L | 85.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 177.3 | -172.9 | 60.8 | 0 | 0 | 0 | 112.5 | I838 D839 Q841 Y845 A846 L847 L855 Q874 V878 | I838-L843 HydrophobicContact CG2-CB 3.97Å; I838-L843 HydrophobicContact CG2-CD1 4.43Å; D839-L843 WeakPolarHBondContact O-CB 3.45Å; D839-L843 PolarHBondContact O-N 2.99Å; Q841-L843 PolarHBondContact O-N 2.96Å; L843-Y845 VanDerWaalsContact C-N 3.32Å; L843-Y845 PolarHBondContact O-N 3.39Å; L843-A846 PolarHBondContact O-N 3.16Å; L843-L847 HydrophobicContact CD1-CD1 4.02Å; L843-L847 HydrophobicContact CD1-CD2 4.27Å; L843-L847 HydrophobicContact CD1-CG 3.87Å; L843-L847 HydrophobicContact CD2-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.79Å; L843-L847 HydrophobicContact CG-CG 4.12Å; L843-L847 WeakPolarHBondContact O-CB 3.42Å; L843-L847 VanDerWaalsContact O-CG 3.28Å; L843-L847 WeakPolarHBondContact O-CG 3.49Å; L843-L847 PolarHBondContact O-N 3.48Å; L843-L855 HydrophobicContact CD1-CD2 4.2Å; L843-Q874 HydrophobicContact CD2-CB 4Å; L843-Q874 HydrophobicContact CD2-CG 4.47Å; L843-V878 HydrophobicContact CD1-CG2 3.88Å; L843-V878 HydrophobicContact CD2-CG2 3.8Å; L843-V878 HydrophobicContact CG-CG2 4.38Å |
| 844 | N | 84.7 | Confident | 83.6 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 173.8 | -84 | -29.5 | 0 | 0 | 0 | 112.1 | G840 Q841 S842 V848 Q874 | G840-N844 PolarHBondContact O-N 3.29Å; Q841-N844 WeakPolarHBondContact O-CB 3.37Å; Q841-N844 PolarHBondContact O-N 2.66Å; S842-N844 VanDerWaalsContact C-N 3.34Å; S842-N844 PolarHBondContact O-N 3.29Å; N844-V848 WeakPolarHBondContact O-CG2 3.26Å; N844-Q874 PolarHBondContact ND2-NE2 3.43Å; N844-Q874 PolarHBondContact OD1-NE2 3.49Å |
| 845 | Y | 85.8 | Confident | 84.1 | Confident | 179 Ų | 179 | 57.2 Ų | 57.2 | 70% | 0.702 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.7 | -35.2 | 176.8 | -62.8 | -72.3 | 0 | 0 | 0 | 112.2 | Q841 S842 L843 V848 | Q841-Y845 WeakPolarHBondContact O-CD2 3.46Å; S842-Y845 PolarHBondContact O-N 2.93Å; L843-Y845 VanDerWaalsContact C-N 3.32Å; L843-Y845 PolarHBondContact O-N 3.39Å; Y845-V848 PolarHBondContact O-N 3.31Å |
| 846 | A | 84.6 | Confident | 84.6 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -78.7 | -20.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | S842 L843 V848 I851 R852 L855 | S842-A846 WeakPolarHBondContact O-CB 3.43Å; S842-A846 PolarHBondContact O-N 3.45Å; L843-A846 PolarHBondContact O-N 3.16Å; A846-V848 VanDerWaalsContact C-N 3.34Å; A846-I851 HydrophobicContact CB-CG2 4.24Å; A846-I851 CarbonylContact O-C 3.49Å; A846-R852 WeakPolarHBondContact O-CA 3.46Å; A846-R852 PolarHBondContact O-N 3.16Å; A846-R852 VanDerWaalsContact O-N 3.14Å; A846-L855 HydrophobicContact CB-CB 4.48Å; A846-L855 HydrophobicContact CB-CD1 4.42Å; A846-L855 HydrophobicContact CB-CD2 3.85Å; A846-L855 HydrophobicContact CB-CG 4.47Å |
| 847 | L | 84.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.3 | 173.2 | -71.8 | 171.6 | 0 | 0 | 0 | 113.5 | L843 R852 L855 E877 L881 | L843-L847 HydrophobicContact CD1-CD1 4.02Å; L843-L847 HydrophobicContact CD1-CD2 4.27Å; L843-L847 HydrophobicContact CD1-CG 3.87Å; L843-L847 HydrophobicContact CD2-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.79Å; L843-L847 HydrophobicContact CG-CG 4.12Å; L843-L847 WeakPolarHBondContact O-CB 3.42Å; L843-L847 VanDerWaalsContact O-CG 3.28Å; L843-L847 WeakPolarHBondContact O-CG 3.49Å; L843-L847 PolarHBondContact O-N 3.48Å; L847-R852 WeakPolarHBondContact O-CD 3.1Å; L847-L855 HydrophobicContact CD2-CD2 4.27Å; L847-E877 HydrophobicContact CD1-CB 3.93Å; L847-L881 HydrophobicContact CD2-CD1 3.67Å |
| 848 | V | 86.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 60 Ų | 60 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -82.9 | 143.1 | 176.9 | 179 | 0 | 0 | 0 | 0 | 110.7 | N844 Y845 A846 I851 R852 | N844-V848 WeakPolarHBondContact O-CG2 3.26Å; Y845-V848 PolarHBondContact O-N 3.31Å; A846-V848 VanDerWaalsContact C-N 3.34Å; V848-I851 PolarHBondContact O-N 3.43Å; V848-I851 VanDerWaalsContact O-N 3.09Å; V848-R852 PolarHBondContact O-N 3.25Å |
| 849 | E | 82.7 | Confident | 84.4 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 142.1 | 175.8 | -69.8 | -178.9 | -171.6 | 0 | 0 | 111.4 | R852 | E849-R852 HydrophobicContact CG-CB 4.17Š|
| 850 | P | 83.4 | Confident | 84.3 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.8 | -9.5 | 8 | 34.2 | -36.3 | 0 | 0 | 0 | 114.9 | R852 S853 | P850-R852 PolarHBondContact O-N 2.96Å; P850-S853 PolarHBondContact O-N 3.47Å; P850-S853 VanDerWaalsContact O-N 3.08Å; P850-S853 PolarHBondContact O-OG 3.13Å |
| 851 | I | 84.5 | Confident | 84.1 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.9 | -33.8 | -171.9 | -56.2 | 177 | 0 | 0 | 0 | 111.8 | L815 A846 V848 S853 L854 L855 | L815-I851 HydrophobicContact CD1-CG2 4.15Å; A846-I851 HydrophobicContact CB-CG2 4.24Å; A846-I851 CarbonylContact O-C 3.49Å; V848-I851 PolarHBondContact O-N 3.43Å; V848-I851 VanDerWaalsContact O-N 3.09Å; I851-S853 PolarHBondContact O-N 3.34Å; I851-L854 PolarHBondContact O-N 2.99Å; I851-L855 PolarHBondContact O-N 3.49Å |
| 852 | R | 85.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -42.9 | -40.8 | 172.6 | -170.6 | -179.8 | 171.6 | -176.7 | -7.6 | 113.9 | A846 L847 V848 E849 P850 T856 L881 E884 | A846-R852 WeakPolarHBondContact O-CA 3.46Å; A846-R852 PolarHBondContact O-N 3.16Å; A846-R852 VanDerWaalsContact O-N 3.14Å; L847-R852 WeakPolarHBondContact O-CD 3.1Å; V848-R852 PolarHBondContact O-N 3.25Å; E849-R852 HydrophobicContact CG-CB 4.17Å; P850-R852 PolarHBondContact O-N 2.96Å; R852-T856 WeakPolarHBondContact O-CB 3.43Å; R852-T856 PolarHBondContact O-N 3.43Å; R852-T856 PolarHBondContact O-OG1 2.88Å; R852-L881 HydrophobicContact CG-CD1 3.95Å; R852-E884 IonicContact CZ-OE2 2.75Å; R852-E884 IonicContact NH1-OE2 3.63Å; R852-E884 IonicContact NH2-OE2 3.58Å; R852-E884 PolarHBondContact NH2-OE2 3.04Å |
| 853 | S | 84.8 | Confident | 83.3 | Confident | 77 Ų | 77 | 54.3 Ų | 54.3 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 178.8 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | P850 I851 T856 Q857 | P850-S853 PolarHBondContact O-N 3.47Å; P850-S853 VanDerWaalsContact O-N 3.08Å; P850-S853 PolarHBondContact O-OG 3.13Å; I851-S853 PolarHBondContact O-N 3.34Å; S853-T856 WeakPolarHBondContact O-CB 3.15Å; S853-T856 PolarHBondContact O-N 3.1Å; S853-Q857 PolarHBondContact O-N 3.2Å |
| 854 | L | 84.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | 177.8 | -66.1 | 102.3 | 0 | 0 | 0 | 111.7 | K816 I819 I851 T856 Q857 C858 | K816-L854 HydrophobicContact CD-CD2 4.26Å; K816-L854 HydrophobicContact CG-CD2 3.62Å; I819-L854 HydrophobicContact CD1-CB 4.48Å; I851-L854 PolarHBondContact O-N 2.99Å; L854-T856 VanDerWaalsContact C-N 3.31Å; L854-T856 PolarHBondContact O-N 3.3Å; L854-Q857 PolarHBondContact O-N 3.28Å; L854-C858 WeakPolarHBondContact O-CB 3.49Å; L854-C858 PolarHBondContact O-N 3.28Å |
| 855 | L | 85 | Confident | 83.4 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 171.8 | 176.5 | 66 | 0 | 0 | 0 | 110.3 | I838 L843 A846 L847 I851 Q857 C858 C859 L881 | I838-L855 HydrophobicContact CD1-CD1 3.46Å; I838-L855 VanDerWaalsContact CD1-CD1 3.46Å; L843-L855 HydrophobicContact CD1-CD2 4.2Å; A846-L855 HydrophobicContact CB-CB 4.48Å; A846-L855 HydrophobicContact CB-CD1 4.42Å; A846-L855 HydrophobicContact CB-CD2 3.85Å; A846-L855 HydrophobicContact CB-CG 4.47Å; L847-L855 HydrophobicContact CD2-CD2 4.27Å; I851-L855 PolarHBondContact O-N 3.49Å; L855-Q857 PolarHBondContact O-N 2.86Å; L855-C858 PolarHBondContact O-N 2.58Å; L855-C859 WeakPolarHBondContact O-CB 3.42Å; L855-C859 PolarHBondContact O-N 2.78Å; L855-C859 PolarHBondContact O-SG 3.47Å; L855-L881 HydrophobicContact CD2-CD1 3.85Å; L855-L881 HydrophobicContact CG-CD1 4.4Å |
| 856 | T | 86.3 | Confident | 83.6 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 178 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | R852 S853 L854 C859 L860 L881 | R852-T856 WeakPolarHBondContact O-CB 3.43Å; R852-T856 PolarHBondContact O-N 3.43Å; R852-T856 PolarHBondContact O-OG1 2.88Å; S853-T856 WeakPolarHBondContact O-CB 3.15Å; S853-T856 PolarHBondContact O-N 3.1Å; L854-T856 VanDerWaalsContact C-N 3.31Å; L854-T856 PolarHBondContact O-N 3.3Å; T856-C859 PolarHBondContact O-N 2.8Å; T856-L860 HydrophobicContact CG2-CD1 4.17Å; T856-L860 HydrophobicContact CG2-CG 4.38Å; T856-L860 WeakPolarHBondContact O-CB 3.4Å; T856-L860 VanDerWaalsContact O-CG 3.24Å; T856-L860 WeakPolarHBondContact O-CG 3.36Å; T856-L860 PolarHBondContact O-N 3.1Å; T856-L881 HydrophobicContact CG2-CD2 4.09Å; T856-L881 WeakPolarHBondContact OG1-CD2 3.47Å; T856-L881 WeakPolarHBondContact OG1-CG 2.98Å |
| 857 | Q | 83.7 | Confident | 83.8 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 177.2 | -174.3 | 173.8 | 23 | 0 | 0 | 112.1 | S853 L854 L855 C859 L860 E861 | S853-Q857 PolarHBondContact O-N 3.2Å; L854-Q857 PolarHBondContact O-N 3.28Å; L855-Q857 PolarHBondContact O-N 2.86Å; Q857-C859 PolarHBondContact O-N 2.65Å; Q857-L860 PolarHBondContact O-N 3.49Å; Q857-E861 PolarHBondContact O-N 3.29Å; Q857-E861 VanDerWaalsContact O-N 3.08Å |
| 858 | C | 82.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 179.3 | -158 | 0 | 0 | 0 | 0 | 111.4 | I819 I836 L854 L855 E861 S862 | I819-C858 HydrophobicContact CD1-CB 4.01Å; I819-C858 HydrophobicContact CG1-CB 3.74Å; I836-C858 HydrophobicContact CD1-CB 4.12Å; I836-C858 WeakPolarHBondContact CD1-O 3.45Å; I836-C858 VanDerWaalsContact CD1-SG 3.51Å; L854-C858 WeakPolarHBondContact O-CB 3.49Å; L854-C858 PolarHBondContact O-N 3.28Å; L855-C858 PolarHBondContact O-N 2.58Å; C858-E861 PolarHBondContact O-N 3.05Å; C858-S862 PolarHBondContact O-N 3.49Å |
| 859 | C | 83.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -32.2 | -179.8 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | W786 L855 T856 Q857 E861 S862 V865 | W786-C859 HydrophobicContact CH2-CB 3.35Å; W786-C859 HydrophobicContact CZ2-CB 3.72Å; W786-C859 HydrophobicContact CZ3-CB 4.25Å; L855-C859 WeakPolarHBondContact O-CB 3.42Å; L855-C859 PolarHBondContact O-N 2.78Å; L855-C859 PolarHBondContact O-SG 3.47Å; T856-C859 PolarHBondContact O-N 2.8Å; Q857-C859 PolarHBondContact O-N 2.65Å; C859-E861 VanDerWaalsContact C-N 3.31Å; C859-S862 WeakPolarHBondContact CA-OG 3.45Å; C859-S862 PolarHBondContact O-N 2.79Å; C859-S862 PolarHBondContact O-OG 3.29Å; C859-V865 HydrophobicContact CB-CG2 4.13Å |
| 860 | L | 83.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 172.5 | -75.6 | -179.1 | 0 | 0 | 0 | 112.3 | Y406 K784 T856 Q857 I882 R886 | Y406-L860 VanDerWaalsContact OH-CD2 3.29Å; Y406-L860 WeakPolarHBondContact OH-CD2 3.25Å; K784-L860 PolarHBondContact NZ-O 3.46Å; T856-L860 HydrophobicContact CG2-CD1 4.17Å; T856-L860 HydrophobicContact CG2-CG 4.38Å; T856-L860 WeakPolarHBondContact O-CB 3.4Å; T856-L860 VanDerWaalsContact O-CG 3.24Å; T856-L860 WeakPolarHBondContact O-CG 3.36Å; T856-L860 PolarHBondContact O-N 3.1Å; Q857-L860 PolarHBondContact O-N 3.49Å; L860-I882 HydrophobicContact CD2-CD1 3.94Å; L860-R886 HydrophobicContact CD1-CG 4.18Å |
| 861 | E | 76.8 | Confident | 83.4 | Confident | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -75.8 | -36 | 175.8 | -72.5 | -55.4 | 146.4 | 0 | 0 | 113.3 | I822 K826 Q857 C858 C859 | I822-E861 HydrophobicContact CG2-CB 4.07Å; K826-E861 PolarHBondContact NZ-O 3.03Å; K826-E861 IonicContact NZ-OE2 3.6Å; K826-E861 PolarHBondContact NZ-OE2 3.05Å; Q857-E861 PolarHBondContact O-N 3.29Å; Q857-E861 VanDerWaalsContact O-N 3.08Å; C858-E861 PolarHBondContact O-N 3.05Å; C859-E861 VanDerWaalsContact C-N 3.31Å |
| 862 | S | 77.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -60.1 | 151.1 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | K784 F834 C858 C859 V865 | K784-S862 PolarHBondContact NZ-O 3.32Å; F834-S862 WeakPolarHBondContact O-CB 3.46Å; C858-S862 PolarHBondContact O-N 3.49Å; C859-S862 WeakPolarHBondContact CA-OG 3.45Å; C859-S862 PolarHBondContact O-N 2.79Å; C859-S862 PolarHBondContact O-OG 3.29Å; S862-V865 VanDerWaalsContact OG-CG2 3.25Å; S862-V865 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 863 | T | 75.5 | Confident | 83 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.4 | -37.4 | 171.9 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | Q833 F834 | Q833-T863 HydrophobicContact CB-CG2 4.25Å; Q833-T863 HydrophobicContact CG-CG2 4.39Å; F834-T863 PolarHBondContact N-OG1 3.02Å; F834-T863 VanDerWaalsContact N-OG1 3.09Å; F834-T863 PolarHBondContact O-N 2.87Å; F834-T863 PolarHBondContact O-OG1 3.46Å |
| 864 | T | 82.8 | Confident | 83 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.8 | -176.4 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | H805 F834 G835 I836 | H805-T864 WeakPolarHBondContact O-CG2 3.42Å; H805-T864 PolarHBondContact O-OG1 3.34Å; F834-T864 PolarHBondContact O-N 3.45Å; G835-T864 CarbonylContact C-O 3.48Å; G835-T864 VanDerWaalsContact CA-O 3.31Å; G835-T864 WeakPolarHBondContact CA-O 3.5Å; I836-T864 PolarHBondContact N-O 3.19Å |
| 865 | V | 88.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | W786 V787 H805 I836 C859 S862 | W786-V865 CarbonylContact C-O 3.02Å; W786-V865 WeakPolarHBondContact CA-O 3.47Å; W786-V865 HydrophobicContact CB-CB 4.41Å; W786-V865 HydrophobicContact CD2-CB 3.56Å; W786-V865 HydrophobicContact CD2-CG1 4.34Å; W786-V865 HydrophobicContact CD2-CG2 3.67Å; W786-V865 VanDerWaalsContact CE2-CG2 3.44Å; W786-V865 HydrophobicContact CE3-CB 3.76Å; W786-V865 HydrophobicContact CE3-CG1 4.02Å; W786-V865 HydrophobicContact CE3-CG2 4.01Å; W786-V865 HydrophobicContact CG-CB 3.83Å; W786-V865 HydrophobicContact CG-CG2 4.22Å; W786-V865 HydrophobicContact CH2-CG2 4.05Å; W786-V865 HydrophobicContact CZ2-CB 4.46Å; W786-V865 HydrophobicContact CZ2-CG2 3.66Å; W786-V865 HydrophobicContact CZ3-CB 4.32Å; W786-V865 HydrophobicContact CZ3-CG1 4.32Å; W786-V865 HydrophobicContact CZ3-CG2 4.2Å; V787-V865 PolarHBondContact N-O 2.93Å; H805-V865 PolarHBondContact CE1-O 3.39Å; I836-V865 HydrophobicContact CB-CG1 4.43Å; I836-V865 HydrophobicContact CB-CG2 4.38Å; I836-V865 HydrophobicContact CG2-CG1 4.41Å; I836-V865 CarbonylContact O-C 3.43Å; I836-V865 WeakPolarHBondContact O-CA 3.28Å; C859-V865 HydrophobicContact CB-CG2 4.13Å; S862-V865 VanDerWaalsContact OG-CG2 3.25Å; S862-V865 WeakPolarHBondContact OG-CG2 3.4Å |
| 866 | L | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 115.2 | 176.4 | -179.3 | 65.6 | 0 | 0 | 0 | 108.8 | V787 A796 V797 F806 I836 V837 I838 | V787-L866 HydrophobicContact CB-CD1 3.6Å; V787-L866 HydrophobicContact CG1-CD1 3.55Å; V787-L866 CarbonylContact O-C 3.59Å; V787-L866 WeakPolarHBondContact O-CA 3.15Å; A796-L866 HydrophobicContact CB-CD1 4.12Å; A796-L866 HydrophobicContact CB-CD2 4.09Å; A796-L866 HydrophobicContact CB-CG 4.43Å; V797-L866 HydrophobicContact CB-CD2 4.38Å; V797-L866 HydrophobicContact CG2-CD2 3.65Å; F806-L866 HydrophobicContact CE2-CB 3.77Å; F806-L866 HydrophobicContact CZ-CB 3.63Å; I836-L866 PolarHBondContact O-N 3.44Å; V837-L866 WeakPolarHBondContact CA-O 3.44Å; V837-L866 HydrophobicContact CG1-CD2 4.2Å; V837-L866 HydrophobicContact CG2-CB 4.36Å; V837-L866 HydrophobicContact CG2-CD2 4.24Å; I838-L866 PolarHBondContact N-O 2.87Å |
| 867 | C | 88.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.7 | 170.8 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | V787 L788 T789 I838 | V787-C867 PolarHBondContact O-N 3Å; L788-C867 HydrophobicContact CD2-CB 3.58Å; L788-C867 VanDerWaalsContact CD2-SG 3.54Å; T789-C867 PolarHBondContact N-O 2.98Å; I838-C867 CarbonylContact O-C 3.48Å; I838-C867 WeakPolarHBondContact O-CA 3.48Å |
| 868 | C | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151 | -176.9 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | T789 E793 I838 D839 G840 S870 | T789-C868 CarbonylContact O-C 3.51Å; E793-C868 HydrophobicContact CB-CB 4.02Å; E793-C868 HydrophobicContact CG-CB 4.48Å; I838-C868 PolarHBondContact O-N 2.76Å; D839-C868 CarbonylContact C-O 3.47Å; D839-C868 WeakPolarHBondContact CA-O 3.47Å; G840-C868 PolarHBondContact N-O 3.07Å; C868-S870 PolarHBondContact O-N 3.37Å; C868-S870 VanDerWaalsContact O-N 3.08Å |
| 869 | R | 82 | Confident | 84.4 | Confident | 140 Ų | 140 | 28.2 Ų | 28.2 | 53% | 0.528 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 50.5 | 30.8 | -178.2 | -57.4 | -175.6 | 179.7 | 174.3 | 4.2 | 114.5 | T789 G790 D791 | T789-R869 PolarHBondContact O-N 2.75Å; T789-R869 VanDerWaalsContact O-N 3.12Å; G790-R869 WeakPolarHBondContact O-CA 3.5Å; D791-R869 PolarHBondContact O-N 2.95Å |
| 870 | S | 79.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | trans | -79.6 | 131 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | T789 C868 | T789-S870 VanDerWaalsContact C-OG 3.26Å; T789-S870 PolarHBondContact N-OG 3.09Å; T789-S870 PolarHBondContact O-N 3.39Å; T789-S870 PolarHBondContact O-OG 3.47Å; C868-S870 PolarHBondContact O-N 3.37Å; C868-S870 VanDerWaalsContact O-N 3.08Å | ||
| 871 | T | 81 | Confident | 85.1 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | trans | -76.9 | 157.5 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | L873 Q874 K875 | T871-L873 PolarHBondContact O-N 3.45Å; T871-L873 VanDerWaalsContact O-N 3.11Å; T871-Q874 WeakPolarHBondContact O-CB 3.16Å; T871-Q874 PolarHBondContact O-N 3.01Å; T871-Q874 VanDerWaalsContact OG1-CG 3.3Å; T871-Q874 WeakPolarHBondContact OG1-CG 3.31Å; T871-Q874 PolarHBondContact OG1-N 3.37Å; T871-Q874 PolarHBondContact OG1-OE1 2.9Å; T871-K875 WeakPolarHBondContact O-CG 3.49Å; T871-K875 PolarHBondContact O-N 3.04Å | ||
| 872 | P | 79 | Confident | 85.8 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 25% | 0.253 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -52.2 | -34.9 | 178.2 | -31.2 | 38.3 | 0 | 0 | 0 | 114.7 | A876 N900 S903 | P872-A876 PolarHBondContact O-N 2.9Å; P872-N900 WeakPolarHBondContact CB-O 3.21Å; P872-N900 HydrophobicContact CG-CB 4.13Å; P872-S903 VanDerWaalsContact O-CB 3.31Å; P872-S903 WeakPolarHBondContact O-CB 3.4Å |
| 873 | L | 82.3 | Confident | 86.3 | Confident | 96 Ų | 96 | 32.5 Ų | 32.5 | 50% | 0.503 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.8 | -46 | 176.7 | -174.9 | 63.1 | 0 | 0 | 0 | 111.6 | T871 K875 A876 E877 | T871-L873 PolarHBondContact O-N 3.45Å; T871-L873 VanDerWaalsContact O-N 3.11Å; L873-K875 VanDerWaalsContact C-N 3.29Å; L873-K875 PolarHBondContact O-N 3.24Å; L873-A876 WeakPolarHBondContact O-CB 3.48Å; L873-A876 PolarHBondContact O-N 3.33Å; L873-A876 VanDerWaalsContact O-N 3.08Å; L873-E877 PolarHBondContact O-N 2.67Å |
| 874 | Q | 86.4 | Confident | 86.9 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 175.3 | -73 | 171.8 | -27 | 0 | 0 | 112.2 | G840 L843 N844 T871 A876 E877 V878 | G840-Q874 PolarHBondContact O-NE2 3.4Å; L843-Q874 HydrophobicContact CD2-CB 4Å; L843-Q874 HydrophobicContact CD2-CG 4.47Å; N844-Q874 PolarHBondContact ND2-NE2 3.43Å; N844-Q874 PolarHBondContact OD1-NE2 3.49Å; T871-Q874 WeakPolarHBondContact O-CB 3.16Å; T871-Q874 PolarHBondContact O-N 3.01Å; T871-Q874 VanDerWaalsContact OG1-CG 3.3Å; T871-Q874 WeakPolarHBondContact OG1-CG 3.31Å; T871-Q874 PolarHBondContact OG1-N 3.37Å; T871-Q874 PolarHBondContact OG1-OE1 2.9Å; Q874-A876 VanDerWaalsContact C-N 3.31Å; Q874-A876 PolarHBondContact O-N 3.38Å; Q874-E877 PolarHBondContact O-N 2.92Å; Q874-V878 WeakPolarHBondContact O-CG2 3.28Å; Q874-V878 PolarHBondContact O-N 3.23Å |
| 875 | K | 88.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 173.9 | -65.4 | -165.2 | -174.9 | -161.9 | 0 | 111.4 | D410 L788 T871 L873 V878 V879 D901 M904 | D410-K875 VanDerWaalsContact CG-NZ 3.31Å; D410-K875 IonicContact OD1-NZ 2.79Å; D410-K875 PolarHBondContact OD1-NZ 2.82Å; L788-K875 HydrophobicContact CB-CD 4.19Å; L788-K875 HydrophobicContact CB-CG 4.09Å; L788-K875 HydrophobicContact CD1-CB 4.3Å; L788-K875 WeakPolarHBondContact O-CE 3.3Å; L788-K875 PolarHBondContact O-NZ 3.09Å; T871-K875 WeakPolarHBondContact O-CG 3.49Å; T871-K875 PolarHBondContact O-N 3.04Å; L873-K875 VanDerWaalsContact C-N 3.29Å; L873-K875 PolarHBondContact O-N 3.24Å; K875-V878 PolarHBondContact O-N 2.76Å; K875-V879 WeakPolarHBondContact O-CG2 3.49Å; K875-V879 PolarHBondContact O-N 3.42Å; K875-V879 VanDerWaalsContact O-N 3.17Å; K875-D901 IonicContact NZ-OD1 2.82Å; K875-D901 PolarHBondContact NZ-OD1 3.4Å; K875-M904 HydrophobicContact CB-CB 4.11Å; K875-M904 HydrophobicContact CB-CG 4.23Å; K875-M904 HydrophobicContact CB-SD 4.2Å; K875-M904 HydrophobicContact CD-SD 4.07Å |
| 876 | A | 88 | Confident | 86.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P872 L873 Q874 V879 R880 S903 E907 | P872-A876 PolarHBondContact O-N 2.9Å; L873-A876 WeakPolarHBondContact O-CB 3.48Å; L873-A876 PolarHBondContact O-N 3.33Å; L873-A876 VanDerWaalsContact O-N 3.08Å; Q874-A876 VanDerWaalsContact C-N 3.31Å; Q874-A876 PolarHBondContact O-N 3.38Å; A876-V879 PolarHBondContact O-N 3.16Å; A876-R880 WeakPolarHBondContact O-CB 3.46Å; A876-R880 PolarHBondContact O-N 2.74Å; A876-S903 WeakPolarHBondContact CB-O 3.39Å; A876-E907 HydrophobicContact CB-CB 4.19Å |
| 877 | E | 89.1 | Confident | 85.2 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 176.4 | -70.7 | 179.8 | 161.8 | 0 | 0 | 112.8 | L847 L873 Q874 R880 L881 | L847-E877 HydrophobicContact CD1-CB 3.93Å; L873-E877 PolarHBondContact O-N 2.67Å; Q874-E877 PolarHBondContact O-N 2.92Å; E877-R880 PolarHBondContact O-N 2.98Å; E877-L881 VanDerWaalsContact O-CB 3.31Å; E877-L881 WeakPolarHBondContact O-CB 3.32Å; E877-L881 PolarHBondContact O-N 3.46Å |
| 878 | V | 91.5 | Very high | 84.4 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | F408 W786 L788 L843 Q874 K875 R880 L881 I882 | F408-V878 HydrophobicContact CE1-CG1 4.09Å; W786-V878 HydrophobicContact CE3-CG1 4.08Å; W786-V878 HydrophobicContact CZ3-CG1 3.84Å; L788-V878 HydrophobicContact CD1-CB 4.06Å; L788-V878 HydrophobicContact CD1-CG1 3.96Å; L788-V878 HydrophobicContact CD2-CG1 3.9Å; L843-V878 HydrophobicContact CD1-CG2 3.88Å; L843-V878 HydrophobicContact CD2-CG2 3.8Å; L843-V878 HydrophobicContact CG-CG2 4.38Å; Q874-V878 WeakPolarHBondContact O-CG2 3.28Å; Q874-V878 PolarHBondContact O-N 3.23Å; K875-V878 PolarHBondContact O-N 2.76Å; V878-R880 VanDerWaalsContact C-N 3.31Å; V878-R880 PolarHBondContact O-N 3.29Å; V878-L881 PolarHBondContact O-N 3.23Å; V878-I882 PolarHBondContact O-N 3.18Å |
| 879 | V | 92 | Very high | 84 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F408 L788 K875 A876 I882 K883 M904 E907 A908 | F408-V879 HydrophobicContact CB-CG2 4.18Å; F408-V879 HydrophobicContact CD1-CG2 4.09Å; F408-V879 HydrophobicContact CD2-CB 4.49Å; F408-V879 HydrophobicContact CD2-CG1 4.4Å; F408-V879 HydrophobicContact CD2-CG2 3.73Å; F408-V879 HydrophobicContact CE1-CG2 4.41Å; F408-V879 HydrophobicContact CE2-CB 4.44Å; F408-V879 HydrophobicContact CE2-CG1 4.31Å; F408-V879 HydrophobicContact CE2-CG2 4.12Å; F408-V879 HydrophobicContact CG-CG2 3.72Å; F408-V879 HydrophobicContact CZ-CG2 4.44Å; L788-V879 HydrophobicContact CD1-CG2 4.46Å; K875-V879 WeakPolarHBondContact O-CG2 3.49Å; K875-V879 PolarHBondContact O-N 3.42Å; K875-V879 VanDerWaalsContact O-N 3.17Å; A876-V879 PolarHBondContact O-N 3.16Å; V879-I882 PolarHBondContact O-N 3.21Å; V879-K883 VanDerWaalsContact O-CB 3.32Å; V879-K883 WeakPolarHBondContact O-CB 3.38Å; V879-K883 PolarHBondContact O-N 2.93Å; V879-M904 HydrophobicContact CG2-CG 3.55Å; V879-E907 HydrophobicContact CB-CG 4.43Å; V879-E907 HydrophobicContact CG1-CB 4.35Å; V879-E907 HydrophobicContact CG1-CG 4.22Å; V879-A908 HydrophobicContact CG1-CB 3.94Å |
| 880 | R | 90.6 | Very high | 84.2 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 178.4 | -173.7 | 174.4 | 175.5 | -167.7 | -4.6 | 112.3 | A876 E877 V878 I882 K883 E884 E907 | A876-R880 WeakPolarHBondContact O-CB 3.46Å; A876-R880 PolarHBondContact O-N 2.74Å; E877-R880 PolarHBondContact O-N 2.98Å; V878-R880 VanDerWaalsContact C-N 3.31Å; V878-R880 PolarHBondContact O-N 3.29Å; R880-I882 VanDerWaalsContact C-N 3.33Å; R880-I882 PolarHBondContact O-N 2.94Å; R880-K883 PolarHBondContact O-N 3.32Å; R880-E884 HydrophobicContact CG-CG 4.34Å; R880-E884 IonicContact CZ-OE1 2.71Å; R880-E884 VanDerWaalsContact CZ-OE1 3.25Å; R880-E884 IonicContact NE-OE1 2.72Å; R880-E884 PolarHBondContact NE-OE1 2.88Å; R880-E884 IonicContact NE-OE2 2.79Å; R880-E884 IonicContact NH2-OE1 3.57Å; R880-E884 PolarHBondContact NH2-OE1 3.31Å; R880-E884 WeakPolarHBondContact O-CB 3.45Å; R880-E884 WeakPolarHBondContact O-CG 3.28Å; R880-E884 PolarHBondContact O-N 3.04Å; R880-E907 HydrophobicContact CB-CG 4.03Å |
| 881 | L | 90.8 | Very high | 84.7 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 176.4 | 176.3 | 152.4 | 0 | 0 | 0 | 111.5 | L847 R852 L855 T856 E877 V878 E884 S885 | L847-L881 HydrophobicContact CD2-CD1 3.67Å; R852-L881 HydrophobicContact CG-CD1 3.95Å; L855-L881 HydrophobicContact CD2-CD1 3.85Å; L855-L881 HydrophobicContact CG-CD1 4.4Å; T856-L881 HydrophobicContact CG2-CD2 4.09Å; T856-L881 WeakPolarHBondContact OG1-CD2 3.47Å; T856-L881 WeakPolarHBondContact OG1-CG 2.98Å; E877-L881 VanDerWaalsContact O-CB 3.31Å; E877-L881 WeakPolarHBondContact O-CB 3.32Å; E877-L881 PolarHBondContact O-N 3.46Å; V878-L881 PolarHBondContact O-N 3.23Å; L881-E884 PolarHBondContact O-N 3.46Å; L881-S885 WeakPolarHBondContact O-CB 3.19Å; L881-S885 PolarHBondContact O-N 3.16Å; L881-S885 VanDerWaalsContact O-N 3.1Å |
| 882 | I | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.1 | -39.4 | 177.3 | -73.2 | -69.1 | 0 | 0 | 0 | 112.4 | Y406 F408 W786 L860 V878 V879 R880 E884 S885 P890 T892 | Y406-I882 HydrophobicContact CD1-CG2 3.92Å; Y406-I882 HydrophobicContact CD2-CG2 3.87Å; Y406-I882 HydrophobicContact CE1-CD1 4.25Å; Y406-I882 HydrophobicContact CE1-CG2 4.17Å; Y406-I882 HydrophobicContact CE2-CG2 4.15Å; Y406-I882 HydrophobicContact CG-CG2 3.78Å; F408-I882 HydrophobicContact CZ-CB 3.9Å; F408-I882 HydrophobicContact CZ-CG1 4.08Å; F408-I882 HydrophobicContact CZ-CG2 4.09Å; W786-I882 HydrophobicContact CH2-CD1 3.31Å; W786-I882 HydrophobicContact CH2-CG1 3.34Å; W786-I882 HydrophobicContact CZ2-CD1 3.75Å; W786-I882 HydrophobicContact CZ2-CG1 4.04Å; W786-I882 HydrophobicContact CZ3-CD1 4.22Å; W786-I882 HydrophobicContact CZ3-CG1 3.74Å; L860-I882 HydrophobicContact CD2-CD1 3.94Å; V878-I882 PolarHBondContact O-N 3.18Å; V879-I882 PolarHBondContact O-N 3.21Å; R880-I882 VanDerWaalsContact C-N 3.33Å; R880-I882 PolarHBondContact O-N 2.94Å; I882-E884 PolarHBondContact O-N 3.14Å; I882-S885 VanDerWaalsContact O-CB 3.3Å; I882-S885 WeakPolarHBondContact O-CB 3.35Å; I882-S885 PolarHBondContact O-N 3.12Å; I882-S885 VanDerWaalsContact O-N 3.08Å; I882-S885 PolarHBondContact O-OG 3.49Å; I882-P890 HydrophobicContact CG2-CG 3.98Å; I882-P890 VanDerWaalsContact O-CG 3.26Å; I882-P890 WeakPolarHBondContact O-CG 3.37Å; I882-T892 HydrophobicContact CG2-CG2 3.9Å |
| 883 | K | 88.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -33.6 | 173.5 | 176.4 | 172 | 176.6 | -168.5 | 0 | 112.7 | V879 R880 T892 E907 | V879-K883 VanDerWaalsContact O-CB 3.32Å; V879-K883 WeakPolarHBondContact O-CB 3.38Å; V879-K883 PolarHBondContact O-N 2.93Å; R880-K883 PolarHBondContact O-N 3.32Å; K883-T892 HydrophobicContact CB-CG2 4.41Å; K883-E907 PolarHBondContact NZ-O 3Å; K883-E907 IonicContact NZ-OE1 3.93Å; K883-E907 PolarHBondContact NZ-OE1 2.95Å |
| 884 | E | 87.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.7 | 176.7 | -66.7 | 176.4 | 172.8 | 0 | 0 | 113.7 | R852 R880 L881 I882 R886 | R852-E884 IonicContact CZ-OE2 2.75Å; R852-E884 IonicContact NH1-OE2 3.63Å; R852-E884 IonicContact NH2-OE2 3.58Å; R852-E884 PolarHBondContact NH2-OE2 3.04Å; R880-E884 HydrophobicContact CG-CG 4.34Å; R880-E884 IonicContact CZ-OE1 2.71Å; R880-E884 VanDerWaalsContact CZ-OE1 3.25Å; R880-E884 IonicContact NE-OE1 2.72Å; R880-E884 PolarHBondContact NE-OE1 2.88Å; R880-E884 IonicContact NE-OE2 2.79Å; R880-E884 IonicContact NH2-OE1 3.57Å; R880-E884 PolarHBondContact NH2-OE1 3.31Å; R880-E884 WeakPolarHBondContact O-CB 3.45Å; R880-E884 WeakPolarHBondContact O-CG 3.28Å; R880-E884 PolarHBondContact O-N 3.04Å; L881-E884 PolarHBondContact O-N 3.46Å; I882-E884 PolarHBondContact O-N 3.14Å; E884-R886 PolarHBondContact O-N 2.97Å |
| 885 | S | 82 | Confident | 87.2 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -73.8 | -22.6 | -166.2 | 65.6 | 0 | 0 | 0 | 0 | 117 | L881 I882 | L881-S885 WeakPolarHBondContact O-CB 3.19Å; L881-S885 PolarHBondContact O-N 3.16Å; L881-S885 VanDerWaalsContact O-N 3.1Å; I882-S885 VanDerWaalsContact O-CB 3.3Å; I882-S885 WeakPolarHBondContact O-CB 3.35Å; I882-S885 PolarHBondContact O-N 3.12Å; I882-S885 VanDerWaalsContact O-N 3.08Å; I882-S885 PolarHBondContact O-OG 3.49Å |
| 886 | R | 78.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 42.8 Ų | 42.8 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -139.9 | 149.4 | -169 | -70.4 | 177.3 | 175 | -166.1 | -6.5 | 111.1 | L860 E884 S888 | L860-R886 HydrophobicContact CD1-CG 4.18Å; E884-R886 PolarHBondContact O-N 2.97Å; R886-S888 VanDerWaalsContact C-N 3.27Å; R886-S888 WeakPolarHBondContact CB-O 3.23Å; R886-S888 CarbonylContact O-C 3.59Å; R886-S888 PolarHBondContact O-N 2.83Å |
| 887 | K | 65.5 | Low | 87.2 | Confident | 225 Ų | 225 | 43.5 Ų | 43.5 | 98% | 0.978 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -57.5 | -38.8 | 174.6 | -72.5 | -177.2 | 178.7 | 175.9 | 0 | 112.4 | ||
| 888 | S | 71.6 | Confident | 86.5 | Confident | 75 Ų | 75 | 40.1 Ų | 40.1 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -87 | 103.1 | 163.2 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | R886 P890 | R886-S888 VanDerWaalsContact C-N 3.27Å; R886-S888 WeakPolarHBondContact CB-O 3.23Å; R886-S888 CarbonylContact O-C 3.59Å; R886-S888 PolarHBondContact O-N 2.83Å; S888-P890 WeakPolarHBondContact O-CD 3.47Å |
| 889 | I | 77.4 | Confident | 85.5 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 116.9 | -179.3 | -64.4 | 168 | 0 | 0 | 0 | 109 | Q293 | Q293-I889 PolarHBondContact NE2-O 3.37Š|
| 890 | P | 86.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 143.1 | 176.7 | 30.9 | -34 | 0 | 0 | 0 | 110 | E405 Y406 I882 S888 T892 H909 | E405-P890 HydrophobicContact CB-CB 4.48Å; E405-P890 VanDerWaalsContact OE2-CB 3.3Å; E405-P890 WeakPolarHBondContact OE2-CB 3.17Å; Y406-P890 HydrophobicContact CD2-CB 3.86Å; Y406-P890 HydrophobicContact CD2-CG 4.38Å; Y406-P890 HydrophobicContact CE2-CB 3.8Å; Y406-P890 HydrophobicContact CE2-CG 4.26Å; I882-P890 HydrophobicContact CG2-CG 3.98Å; I882-P890 VanDerWaalsContact O-CG 3.26Å; I882-P890 WeakPolarHBondContact O-CG 3.37Å; S888-P890 WeakPolarHBondContact O-CD 3.47Å; P890-T892 PolarHBondContact O-N 3.42Å; P890-H909 PolarHBondContact O-CE1 2.87Å; P890-H909 VanDerWaalsContact O-CE1 3.31Å |
| 891 | I | 90.9 | Very high | 84.4 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.7 | 172.9 | -62.7 | -64.5 | 0 | 0 | 0 | 109.4 | Q293 E400 Q403 V404 E405 Y406 H909 I910 | Q293-I891 HydrophobicContact CB-CD1 4.22Å; Q293-I891 HydrophobicContact CG-CD1 3.58Å; Q293-I891 VanDerWaalsContact NE2-CD1 3.29Å; E400-I891 WeakPolarHBondContact OE2-CD1 3.41Å; Q403-I891 HydrophobicContact CB-CG1 3.85Å; Q403-I891 VanDerWaalsContact O-CB 3.31Å; Q403-I891 WeakPolarHBondContact O-CB 3.47Å; V404-I891 HydrophobicContact CB-CG2 4.36Å; V404-I891 HydrophobicContact CG2-CG2 3.99Å; E405-I891 PolarHBondContact N-O 2.85Å; Y406-I891 PolarHBondContact N-O 2.87Å; Y406-I891 VanDerWaalsContact N-O 3.12Å; I891-H909 HydrophobicContact CD1-CB 4.41Å; I891-H909 HydrophobicContact CG2-CB 4.27Å; I891-I910 HydrophobicContact CG2-CD1 4.44Å |
| 892 | T | 93.9 | Very high | 84 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.5 | 179.8 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | F408 I882 K883 P890 H909 I910 | F408-T892 HydrophobicContact CE2-CG2 3.75Å; F408-T892 HydrophobicContact CZ-CG2 4.47Å; I882-T892 HydrophobicContact CG2-CG2 3.9Å; K883-T892 HydrophobicContact CB-CG2 4.41Å; P890-T892 PolarHBondContact O-N 3.42Å; T892-H909 PolarHBondContact N-ND1 3.18Å; T892-H909 WeakPolarHBondContact O-CA 3.46Å; T892-H909 WeakPolarHBondContact O-CB 3.35Å; T892-H909 PolarHBondContact O-N 3.43Å; T892-H909 PolarHBondContact OG1-N 2.82Å; T892-H909 PolarHBondContact OG1-ND1 3.13Å; T892-I910 PolarHBondContact O-N 3.12Å; T892-I910 VanDerWaalsContact O-N 3.12Å |
| 893 | A | 95.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 145.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V404 Y406 L407 F408 I910 F912 | V404-A893 HydrophobicContact CB-CB 4.5Å; V404-A893 HydrophobicContact CG1-CB 3.58Å; V404-A893 HydrophobicContact CG2-CB 4.02Å; Y406-A893 PolarHBondContact O-N 2.67Å; L407-A893 WeakPolarHBondContact CA-O 3.46Å; L407-A893 HydrophobicContact CD1-CB 4.01Å; F408-A893 WeakPolarHBondContact CD2-O 3.38Å; F408-A893 PolarHBondContact N-O 3.09Å; A893-I910 CarbonylContact C-O 3.57Å; A893-I910 VanDerWaalsContact CA-O 3.3Å; A893-I910 WeakPolarHBondContact CA-O 3.38Å; A893-I910 HydrophobicContact CB-CB 4.3Å; A893-F912 HydrophobicContact CB-CD2 4.23Å; A893-F912 HydrophobicContact CB-CE2 3.82Å |
| 894 | A | 95.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | F408 M904 I905 A908 I910 F912 | F408-A894 HydrophobicContact CB-CB 4.35Å; F408-A894 CarbonylContact O-C 3.59Å; F408-A894 VanDerWaalsContact O-CA 3.24Å; F408-A894 WeakPolarHBondContact O-CA 3.39Å; A894-M904 HydrophobicContact CB-CE 4.13Å; A894-M904 HydrophobicContact CB-CG 3.83Å; A894-I905 HydrophobicContact CB-CG1 4.31Å; A894-A908 HydrophobicContact CB-CB 3.52Å; A894-I910 PolarHBondContact N-O 3.17Å; A894-F912 PolarHBondContact O-N 3.37Å |
| 895 | I | 95.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.7 | 178.7 | -170.1 | 166.3 | 0 | 0 | 0 | 111.8 | L407 F408 T409 D410 T414 M904 F912 I914 F930 F933 L936 | L407-I895 HydrophobicContact CD1-CG2 4.05Å; F408-I895 PolarHBondContact O-N 3.01Å; T409-I895 WeakPolarHBondContact OG1-CG2 3.25Å; D410-I895 PolarHBondContact N-O 2.96Å; D410-I895 VanDerWaalsContact N-O 3.16Å; T414-I895 HydrophobicContact CG2-CG1 4.34Å; T414-I895 HydrophobicContact CG2-CG2 4.21Å; I895-M904 VanDerWaalsContact O-CE 3.31Å; I895-M904 WeakPolarHBondContact O-CE 3.3Å; I895-F912 WeakPolarHBondContact CA-O 3.44Å; I895-F912 HydrophobicContact CB-CB 3.89Å; I895-F912 HydrophobicContact CD1-CB 3.96Å; I895-F912 HydrophobicContact CG1-CB 3.75Å; I895-I914 HydrophobicContact CD1-CD1 3.93Å; I895-I914 HydrophobicContact CD1-CG1 4.03Å; I895-I914 HydrophobicContact CG1-CD1 4.15Å; I895-I914 HydrophobicContact CG1-CG1 4.13Å; I895-F930 HydrophobicContact CD1-CE2 3.98Å; I895-F930 HydrophobicContact CD1-CZ 3.83Å; I895-F933 HydrophobicContact CD1-CD2 4.12Å; I895-F933 HydrophobicContact CD1-CE2 4.49Å; I895-F933 HydrophobicContact CG2-CD2 4.49Å; I895-F933 HydrophobicContact CG2-CE2 4.04Å; I895-L936 HydrophobicContact CD1-CD2 4.14Å |
| 896 | G | 90.3 | Very high | 84 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 169.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T414 F912 G913 I914 A922 | T414-G896 WeakPolarHBondContact OG1-CA 3.49Å; G896-F912 PolarHBondContact N-O 2.81Å; G896-G913 WeakPolarHBondContact O-CA 3Å; G896-I914 PolarHBondContact O-N 3.32Å; G896-A922 WeakPolarHBondContact O-CB 3.35Å |
| 897 | D | 86.5 | Confident | 84.5 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -113.9 | -33.2 | 177.2 | 76.3 | -43.1 | 0 | 0 | 0 | 112.9 | T414 I914 A922 | T414-D897 PolarHBondContact OG1-N 3.36Å; D897-I914 HydrophobicContact CB-CB 3.98Å; D897-I914 HydrophobicContact CB-CG2 4.19Å; D897-A922 VanDerWaalsContact C-CB 3.45Å; D897-A922 WeakPolarHBondContact O-CB 3.42Å |
| 898 | G | 74.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 16.5 Ų | 16.5 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -86 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N900 | G898-N900 VanDerWaalsContact C-N 3.33Š|
| 899 | A | 71 | Confident | 86.7 | Confident | 14 Ų | 14 | 14.3 Ų | 14.3 | 12% | 0.116 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -73.9 | -23.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S184 D901 V902 Q921 | S184-A899 WeakPolarHBondContact O-CB 3.37Å; A899-D901 PolarHBondContact O-N 2.89Å; A899-D901 VanDerWaalsContact O-N 3.16Å; A899-V902 VanDerWaalsContact O-CB 3.27Å; A899-V902 WeakPolarHBondContact O-CB 3.25Å; A899-V902 PolarHBondContact O-N 3.25Å; A899-V902 VanDerWaalsContact O-N 3.09Å; A899-Q921 HydrophobicContact CB-CB 4.17Å |
| 900 | N | 75.9 | Confident | 87.5 | Confident | 7 Ų | 7 | 10.2 Ų | 10.2 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -48.7 | -42.4 | 172.3 | -73.3 | 19.1 | 0 | 0 | 0 | 112.5 | L185 D186 G187 P872 G898 V902 | L185-N900 VanDerWaalsContact C-OD1 3.3Å; L185-N900 PolarHBondContact O-OD1 3.26Å; L185-N900 VanDerWaalsContact O-OD1 3.08Å; D186-N900 WeakPolarHBondContact CA-OD1 3.34Å; D186-N900 PolarHBondContact N-OD1 3.34Å; D186-N900 PolarHBondContact O-ND2 2.9Å; D186-N900 PolarHBondContact O-OD1 3.31Å; G187-N900 WeakPolarHBondContact CA-ND2 3.44Å; G187-N900 PolarHBondContact N-ND2 3.36Å; G187-N900 PolarHBondContact N-OD1 3.18Å; P872-N900 WeakPolarHBondContact CB-O 3.21Å; P872-N900 HydrophobicContact CG-CB 4.13Å; G898-N900 VanDerWaalsContact C-N 3.33Å; N900-V902 VanDerWaalsContact C-N 3.3Å |
| 901 | D | 83.2 | Confident | 87.8 | Confident | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -86.1 | -11.7 | -168.9 | -51.6 | -49.5 | 0 | 0 | 0 | 110.5 | K875 A899 S903 M904 I905 | K875-D901 IonicContact NZ-OD1 2.82Å; K875-D901 PolarHBondContact NZ-OD1 3.4Å; A899-D901 PolarHBondContact O-N 2.89Å; A899-D901 VanDerWaalsContact O-N 3.16Å; D901-S903 VanDerWaalsContact C-N 3.25Å; D901-S903 PolarHBondContact O-N 3.14Å; D901-M904 HydrophobicContact CB-CE 4.05Å; D901-M904 CarbonylContact O-C 3.49Å; D901-M904 WeakPolarHBondContact O-CA 3.48Å; D901-M904 WeakPolarHBondContact O-CB 3.37Å; D901-M904 PolarHBondContact O-N 3.45Å; D901-I905 HydrophobicContact CB-CD1 3.91Å; D901-I905 HydrophobicContact CB-CG1 4.39Å; D901-I905 WeakPolarHBondContact O-CB 3.25Å; D901-I905 WeakPolarHBondContact O-CD1 3.4Å; D901-I905 WeakPolarHBondContact O-CG1 3.49Å; D901-I905 PolarHBondContact O-N 3.07Å |
| 902 | V | 81.8 | Confident | 88 | Confident | 20 Ų | 20 | 9.9 Ų | 9.9 | 12% | 0.121 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.1 | -42.3 | 175 | 171 | 0 | 0 | 0 | 0 | 111.1 | A899 N900 M904 I905 L906 A925 | A899-V902 VanDerWaalsContact O-CB 3.27Å; A899-V902 WeakPolarHBondContact O-CB 3.25Å; A899-V902 PolarHBondContact O-N 3.25Å; A899-V902 VanDerWaalsContact O-N 3.09Å; N900-V902 VanDerWaalsContact C-N 3.3Å; V902-M904 PolarHBondContact O-N 3.18Å; V902-I905 PolarHBondContact O-N 2.93Å; V902-L906 HydrophobicContact CG1-CD1 3.72Å; V902-L906 HydrophobicContact CG1-CG 4.24Å; V902-L906 VanDerWaalsContact O-CB 3.29Å; V902-L906 WeakPolarHBondContact O-CB 3.11Å; V902-L906 WeakPolarHBondContact O-CG 3.37Å; V902-L906 PolarHBondContact O-N 3.07Å; V902-A925 HydrophobicContact CB-CB 4.3Å; V902-A925 HydrophobicContact CG1-CB 3.67Å; V902-A925 HydrophobicContact CG2-CB 3.95Å |
| 903 | S | 84 | Confident | 87.9 | Confident | 34 Ų | 34 | 9.9 Ų | 9.9 | 24% | 0.238 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 176 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | P872 A876 D901 E907 | P872-S903 VanDerWaalsContact O-CB 3.31Å; P872-S903 WeakPolarHBondContact O-CB 3.4Å; A876-S903 WeakPolarHBondContact CB-O 3.39Å; D901-S903 VanDerWaalsContact C-N 3.25Å; D901-S903 PolarHBondContact O-N 3.14Å; S903-E907 WeakPolarHBondContact O-CB 3.48Å; S903-E907 PolarHBondContact O-N 3.12Å |
| 904 | M | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.4 | -45.4 | 177.5 | -169.3 | -178.1 | 65.8 | 0 | 0 | 111.9 | F408 L788 K875 V879 A894 I895 D901 V902 E907 A908 | F408-M904 HydrophobicContact CB-CG 4.43Å; F408-M904 HydrophobicContact CB-SD 3.97Å; L788-M904 HydrophobicContact CB-SD 4.19Å; L788-M904 HydrophobicContact CD1-SD 3.84Å; L788-M904 HydrophobicContact CG-SD 4.39Å; K875-M904 HydrophobicContact CB-CB 4.11Å; K875-M904 HydrophobicContact CB-CG 4.23Å; K875-M904 HydrophobicContact CB-SD 4.2Å; K875-M904 HydrophobicContact CD-SD 4.07Å; V879-M904 HydrophobicContact CG2-CG 3.55Å; A894-M904 HydrophobicContact CB-CE 4.13Å; A894-M904 HydrophobicContact CB-CG 3.83Å; I895-M904 VanDerWaalsContact O-CE 3.31Å; I895-M904 WeakPolarHBondContact O-CE 3.3Å; D901-M904 HydrophobicContact CB-CE 4.05Å; D901-M904 CarbonylContact O-C 3.49Å; D901-M904 WeakPolarHBondContact O-CA 3.48Å; D901-M904 WeakPolarHBondContact O-CB 3.37Å; D901-M904 PolarHBondContact O-N 3.45Å; V902-M904 PolarHBondContact O-N 3.18Å; M904-E907 PolarHBondContact O-N 2.67Å; M904-A908 WeakPolarHBondContact O-CB 3.45Å; M904-A908 PolarHBondContact O-N 3.28Å |
| 905 | I | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 179 | -73.4 | 169.1 | 0 | 0 | 0 | 111.8 | K290 A894 D901 V902 F912 A922 | K290-I905 PolarHBondContact NZ-O 2.91Å; A894-I905 HydrophobicContact CB-CG1 4.31Å; D901-I905 HydrophobicContact CB-CD1 3.91Å; D901-I905 HydrophobicContact CB-CG1 4.39Å; D901-I905 WeakPolarHBondContact O-CB 3.25Å; D901-I905 WeakPolarHBondContact O-CD1 3.4Å; D901-I905 WeakPolarHBondContact O-CG1 3.49Å; D901-I905 PolarHBondContact O-N 3.07Å; V902-I905 PolarHBondContact O-N 2.93Å; I905-F912 WeakPolarHBondContact CD1-O 3.3Å; I905-A922 HydrophobicContact CD1-CB 3.9Å |
| 906 | L | 87.8 | Confident | 86.3 | Confident | 21 Ų | 21 | 11.7 Ų | 11.7 | 11% | 0.11 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -77.1 | -32.9 | 177.7 | -71.2 | 175.7 | 0 | 0 | 0 | 112.7 | K285 K287 K290 V902 A925 | K285-L906 WeakPolarHBondContact O-CD1 3.43Å; K287-L906 HydrophobicContact CB-CD2 4.09Å; K287-L906 HydrophobicContact CD-CD2 4.34Å; K287-L906 HydrophobicContact CG-CD2 3.94Å; K290-L906 WeakPolarHBondContact CE-O 3.44Å; V902-L906 HydrophobicContact CG1-CD1 3.72Å; V902-L906 HydrophobicContact CG1-CG 4.24Å; V902-L906 VanDerWaalsContact O-CB 3.29Å; V902-L906 WeakPolarHBondContact O-CB 3.11Å; V902-L906 WeakPolarHBondContact O-CG 3.37Å; V902-L906 PolarHBondContact O-N 3.07Å; L906-A925 HydrophobicContact CD2-CB 4.39Å; L906-A925 HydrophobicContact CG-CB 4.46Å |
| 907 | E | 89.2 | Confident | 85.1 | Confident | 49 Ų | 49 | 19.6 Ų | 19.6 | 23% | 0.229 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -77.8 | -33.7 | 178.7 | -171.6 | 55.4 | -119.5 | 0 | 0 | 113 | A876 V879 R880 K883 S903 M904 | A876-E907 HydrophobicContact CB-CB 4.19Å; V879-E907 HydrophobicContact CB-CG 4.43Å; V879-E907 HydrophobicContact CG1-CB 4.35Å; V879-E907 HydrophobicContact CG1-CG 4.22Å; R880-E907 HydrophobicContact CB-CG 4.03Å; K883-E907 PolarHBondContact NZ-O 3Å; K883-E907 IonicContact NZ-OE1 3.93Å; K883-E907 PolarHBondContact NZ-OE1 2.95Å; S903-E907 WeakPolarHBondContact O-CB 3.48Å; S903-E907 PolarHBondContact O-N 3.12Å; M904-E907 PolarHBondContact O-N 2.67Å |
| 908 | A | 91.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -61.8 | 152.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K290 V879 A894 M904 I910 | K290-A908 WeakPolarHBondContact CD-O 3.25Å; K290-A908 WeakPolarHBondContact CE-O 3.44Å; K290-A908 PolarHBondContact NZ-O 3.3Å; V879-A908 HydrophobicContact CG1-CB 3.94Å; A894-A908 HydrophobicContact CB-CB 3.52Å; M904-A908 WeakPolarHBondContact O-CB 3.45Å; M904-A908 PolarHBondContact O-N 3.28Å; A908-I910 WeakPolarHBondContact CB-O 3.48Å; A908-I910 PolarHBondContact O-N 2.88Å |
| 909 | H | 92.1 | Very high | 83.2 | Confident | 29 Ų | 29 | 21.7 Ų | 21.7 | 13% | 0.134 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -62.1 | -32.5 | 174.2 | -63.4 | 92.7 | 0 | 0 | 0 | 112.1 | K290 P890 I891 T892 | K290-H909 WeakPolarHBondContact CD-O 3.44Å; P890-H909 PolarHBondContact O-CE1 2.87Å; P890-H909 VanDerWaalsContact O-CE1 3.31Å; I891-H909 HydrophobicContact CD1-CB 4.41Å; I891-H909 HydrophobicContact CG2-CB 4.27Å; T892-H909 PolarHBondContact N-ND1 3.18Å; T892-H909 WeakPolarHBondContact O-CA 3.46Å; T892-H909 WeakPolarHBondContact O-CB 3.35Å; T892-H909 PolarHBondContact O-N 3.43Å; T892-H909 PolarHBondContact OG1-N 2.82Å; T892-H909 PolarHBondContact OG1-ND1 3.13Å |
| 910 | I | 93.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.6 | 174.7 | -48.6 | 177.1 | 0 | 0 | 0 | 109.7 | E400 M401 V404 I891 T892 A893 A894 A908 F912 Y928 | E400-I910 HydrophobicContact CB-CD1 3.61Å; E400-I910 HydrophobicContact CB-CG1 4Å; E400-I910 WeakPolarHBondContact O-CD1 3.32Å; M401-I910 HydrophobicContact CB-CD1 4.43Å; M401-I910 HydrophobicContact CG-CD1 3.98Å; M401-I910 HydrophobicContact CG-CG2 4.45Å; V404-I910 HydrophobicContact CG2-CD1 3.67Å; I891-I910 HydrophobicContact CG2-CD1 4.44Å; T892-I910 PolarHBondContact O-N 3.12Å; T892-I910 VanDerWaalsContact O-N 3.12Å; A893-I910 CarbonylContact C-O 3.57Å; A893-I910 VanDerWaalsContact CA-O 3.3Å; A893-I910 WeakPolarHBondContact CA-O 3.38Å; A893-I910 HydrophobicContact CB-CB 4.3Å; A894-I910 PolarHBondContact N-O 3.17Å; A908-I910 WeakPolarHBondContact CB-O 3.48Å; A908-I910 PolarHBondContact O-N 2.88Å; I910-F912 HydrophobicContact CG2-CE1 4.07Å; I910-F912 HydrophobicContact CG2-CE2 3.97Å; I910-F912 HydrophobicContact CG2-CZ 3.71Å; I910-Y928 HydrophobicContact CG2-CD2 4.09Å; I910-Y928 HydrophobicContact CG2-CE2 4.19Å |
| 911 | G | 93 | Very high | 83.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S926 D927 Y928 | G911-S926 WeakPolarHBondContact O-CB 3.34Å; G911-D927 PolarHBondContact N-OD2 2.98Å; G911-D927 WeakPolarHBondContact O-CA 3.39Å; G911-D927 WeakPolarHBondContact O-CB 3.46Å; G911-D927 PolarHBondContact O-N 3.29Å; G911-Y928 PolarHBondContact O-N 2.91Å; G911-Y928 VanDerWaalsContact O-N 3.09Å |
| 912 | F | 95 | Very high | 83 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.1 | 170.3 | -62.6 | -66 | 0 | 0 | 0 | 110.1 | M401 A893 A894 I895 G896 I905 I910 Y928 F930 L936 V939 L940 | M401-F912 HydrophobicContact CG-CE1 4.46Å; M401-F912 HydrophobicContact CG-CZ 4.13Å; M401-F912 HydrophobicContact SD-CE1 3.88Å; M401-F912 HydrophobicContact SD-CZ 4.09Å; A893-F912 HydrophobicContact CB-CD2 4.23Å; A893-F912 HydrophobicContact CB-CE2 3.82Å; A894-F912 PolarHBondContact O-N 3.37Å; I895-F912 WeakPolarHBondContact CA-O 3.44Å; I895-F912 HydrophobicContact CB-CB 3.89Å; I895-F912 HydrophobicContact CD1-CB 3.96Å; I895-F912 HydrophobicContact CG1-CB 3.75Å; G896-F912 PolarHBondContact N-O 2.81Å; I905-F912 WeakPolarHBondContact CD1-O 3.3Å; I910-F912 HydrophobicContact CG2-CE1 4.07Å; I910-F912 HydrophobicContact CG2-CE2 3.97Å; I910-F912 HydrophobicContact CG2-CZ 3.71Å; F912-Y928 CarbonylContact C-O 3.54Å; F912-Y928 WeakPolarHBondContact CA-O 3.47Å; F912-Y928 HydrophobicContact CD1-CD2 4.4Å; F912-Y928 AromaticContact CE1-CD2 3.94Å; F912-Y928 HydrophobicContact CE1-CD2 3.94Å; F912-Y928 HydrophobicContact CE1-CG 4.41Å; F912-F930 HydrophobicContact CB-CE1 4.4Å; F912-F930 HydrophobicContact CB-CZ 4.35Å; F912-F930 AromaticContact CD1-CE1 3.76Å; F912-F930 HydrophobicContact CD1-CE1 3.76Å; F912-F930 HydrophobicContact CD1-CZ 4.34Å; F912-F930 HydrophobicContact CE1-CE1 4.42Å; F912-F930 HydrophobicContact CG-CE1 4.31Å; F912-F930 HydrophobicContact CG-CZ 4.47Å; F912-L936 HydrophobicContact CD1-CD1 4.47Å; F912-L936 HydrophobicContact CD2-CD1 3.83Å; F912-L936 HydrophobicContact CE1-CD1 4.43Å; F912-L936 HydrophobicContact CE2-CD1 3.76Å; F912-L936 HydrophobicContact CG-CD1 4.2Å; F912-L936 HydrophobicContact CZ-CD1 4.08Å; F912-V939 HydrophobicContact CE1-CG1 3.68Å; F912-V939 HydrophobicContact CZ-CG1 4.07Å; F912-L940 HydrophobicContact CE2-CD2 4.15Å; F912-L940 HydrophobicContact CZ-CD2 3.88Å |
| 913 | G | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G896 S926 Y928 A929 F930 | G896-G913 WeakPolarHBondContact O-CA 3Å; G913-S926 PolarHBondContact N-OG 3.23Å; G913-Y928 PolarHBondContact N-O 3.28Å; G913-A929 WeakPolarHBondContact O-CA 3.28Å; G913-A929 VanDerWaalsContact O-CB 3.26Å; G913-A929 WeakPolarHBondContact O-CB 3.47Å; G913-F930 PolarHBondContact O-N 3.22Å; G913-F930 VanDerWaalsContact O-N 3.12Å |
| 914 | I | 92.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142 | 171.5 | -69 | 179.6 | 0 | 0 | 0 | 109.5 | T414 I895 G896 D897 G916 V923 F930 F933 | T414-I914 HydrophobicContact CG2-CD1 3.92Å; I895-I914 HydrophobicContact CD1-CD1 3.93Å; I895-I914 HydrophobicContact CD1-CG1 4.03Å; I895-I914 HydrophobicContact CG1-CD1 4.15Å; I895-I914 HydrophobicContact CG1-CG1 4.13Å; G896-I914 PolarHBondContact O-N 3.32Å; D897-I914 HydrophobicContact CB-CB 3.98Å; D897-I914 HydrophobicContact CB-CG2 4.19Å; I914-G916 VanDerWaalsContact C-N 3.32Å; I914-G916 PolarHBondContact O-N 2.93Å; I914-V923 WeakPolarHBondContact O-CG2 3.48Å; I914-F930 WeakPolarHBondContact CA-O 3.3Å; I914-F930 HydrophobicContact CG1-CE2 4.45Å; I914-F933 HydrophobicContact CD1-CB 4.17Å |
| 915 | Y | 87.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.071 | 15% | 0.151 | C | C | . | . | trans | -70.5 | 84 | 175.5 | -70.7 | -77.3 | 0 | 0 | 0 | 111.4 | E388 R389 V923 F930 | E388-Y915 HydrophobicContact CB-CD2 4.35Å; E388-Y915 HydrophobicContact CB-CE2 4.06Å; R389-Y915 WeakPolarHBondContact O-CE2 3.49Å; R389-Y915 PolarHBondContact O-OH 3.43Å; Y915-V923 HydrophobicContact CD1-CG1 3.96Å; Y915-V923 HydrophobicContact CD1-CG2 3.89Å; Y915-V923 HydrophobicContact CE1-CG1 3.64Å; Y915-V923 HydrophobicContact CE1-CG2 4.38Å; Y915-V923 HydrophobicContact CG-CG2 4.25Å; Y915-F930 VanDerWaalsContact CD2-C 3.46Å; Y915-F930 WeakPolarHBondContact CD2-O 3.35Å; Y915-F930 PolarHBondContact N-O 3.35Å | ||
| 916 | G | 71.7 | Confident | 82.2 | Confident | 16 Ų | 16 | 32 Ų | 32 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | trans | -63.2 | 149 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I914 E918 | I914-G916 VanDerWaalsContact C-N 3.32Å; I914-G916 PolarHBondContact O-N 2.93Å; G916-E918 VanDerWaalsContact C-N 3.31Å; G916-E918 PolarHBondContact O-N 3.43Å | ||
| 917 | K | 66.3 | Low | 82.4 | Confident | 166 Ų | 166 | 31 Ų | 31 | 72% | 0.722 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -68.2 | -27.8 | 177.4 | -66.4 | 172.6 | -176.9 | 165.5 | 0 | 112.9 | E417 | E417-K917 PolarHBondContact O-NZ 3.32Š|
| 918 | E | 58.3 | Low | 82.6 | Confident | 50 Ų | 50 | 28.8 Ų | 28.8 | 23% | 0.234 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -103.7 | -10.6 | -169.9 | -63.2 | -176.8 | 104.8 | 0 | 0 | 113.9 | T181 A183 G916 | T181-E918 PolarHBondContact OG1-OE1 3.42Å; A183-E918 WeakPolarHBondContact CB-OE2 3.32Å; G916-E918 VanDerWaalsContact C-N 3.31Å; G916-E918 PolarHBondContact O-N 3.43Å |
| 919 | G | 63.1 | Low | 82.6 | Confident | 26 Ų | 26 | 28.8 Ų | 28.8 | 27% | 0.268 | 14% | 0.136 | S | C | . | . | trans | 178 | 162.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 920 | R | 72.7 | Confident | 82.7 | Confident | 113 Ų | 113 | 27.4 Ų | 27.4 | 43% | 0.426 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -109.3 | 35.1 | 177.6 | -62.9 | -176.2 | 177.3 | -154.9 | -6.6 | 112.3 | E388 V923 R924 | E388-R920 IonicContact OE1-CZ 2.67Å; E388-R920 IonicContact OE1-NH1 2.7Å; E388-R920 PolarHBondContact OE1-NH1 3.25Å; E388-R920 IonicContact OE1-NH2 2.87Å; E388-R920 PolarHBondContact OE1-NH2 2.84Å; R920-V923 HydrophobicContact CB-CB 4.37Å; R920-R924 VanDerWaalsContact O-CG 3.3Å; R920-R924 WeakPolarHBondContact O-CG 3.46Å; R920-R924 PolarHBondContact O-N 3.35Å |
| 921 | Q | 73.8 | Confident | 82.5 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 21% | 0.21 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.3 | -51.5 | -174.3 | -62.4 | -159.6 | 47.5 | 0 | 0 | 112 | S184 L280 A899 V923 R924 A925 | S184-Q921 PolarHBondContact O-NE2 2.72Å; L280-Q921 VanDerWaalsContact CD1-OE1 3.27Å; A899-Q921 HydrophobicContact CB-CB 4.17Å; Q921-V923 VanDerWaalsContact C-N 3.33Å; Q921-V923 PolarHBondContact O-N 3.35Å; Q921-R924 PolarHBondContact O-N 3Å; Q921-R924 VanDerWaalsContact O-N 3.09Å; Q921-A925 PolarHBondContact O-N 3.11Å; Q921-A925 VanDerWaalsContact O-N 3.15Å |
| 922 | A | 79.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G896 D897 I905 R924 A925 S926 | G896-A922 WeakPolarHBondContact O-CB 3.35Å; D897-A922 VanDerWaalsContact C-CB 3.45Å; D897-A922 WeakPolarHBondContact O-CB 3.42Å; I905-A922 HydrophobicContact CD1-CB 3.9Å; A922-R924 PolarHBondContact O-N 3.04Å; A922-R924 VanDerWaalsContact O-N 3.11Å; A922-A925 PolarHBondContact O-N 3.28Å; A922-S926 VanDerWaalsContact O-CB 3.3Å; A922-S926 WeakPolarHBondContact O-CB 3.49Å; A922-S926 PolarHBondContact O-N 3.05Å; A922-S926 PolarHBondContact O-OG 2.84Å |
| 923 | V | 84.3 | Confident | 82.4 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.8 | -27.6 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 114.2 | N393 I914 Y915 R920 Q921 A929 | N393-V923 PolarHBondContact ND2-O 3.16Å; I914-V923 WeakPolarHBondContact O-CG2 3.48Å; Y915-V923 HydrophobicContact CD1-CG1 3.96Å; Y915-V923 HydrophobicContact CD1-CG2 3.89Å; Y915-V923 HydrophobicContact CE1-CG1 3.64Å; Y915-V923 HydrophobicContact CE1-CG2 4.38Å; Y915-V923 HydrophobicContact CG-CG2 4.25Å; R920-V923 HydrophobicContact CB-CB 4.37Å; Q921-V923 VanDerWaalsContact C-N 3.33Å; Q921-V923 PolarHBondContact O-N 3.35Å; V923-A929 HydrophobicContact CB-CB 4.34Å; V923-A929 HydrophobicContact CG1-CB 3.84Å; V923-A929 HydrophobicContact CG2-CB 4.28Å |
| 924 | R | 77.6 | Confident | 82.4 | Confident | 115 Ų | 115 | 32.1 Ų | 32.1 | 43% | 0.434 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -88.4 | -29.6 | 177.3 | -78.2 | 173.5 | 171.3 | 162.1 | -2.9 | 112.7 | R920 Q921 A922 | R920-R924 VanDerWaalsContact O-CG 3.3Å; R920-R924 WeakPolarHBondContact O-CG 3.46Å; R920-R924 PolarHBondContact O-N 3.35Å; Q921-R924 PolarHBondContact O-N 3Å; Q921-R924 VanDerWaalsContact O-N 3.09Å; A922-R924 PolarHBondContact O-N 3.04Å; A922-R924 VanDerWaalsContact O-N 3.11Å |
| 925 | A | 77.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 13% | 0.132 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.9 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K287 V902 L906 Q921 A922 | K287-A925 PolarHBondContact NZ-O 3Å; V902-A925 HydrophobicContact CB-CB 4.3Å; V902-A925 HydrophobicContact CG1-CB 3.67Å; V902-A925 HydrophobicContact CG2-CB 3.95Å; L906-A925 HydrophobicContact CD2-CB 4.39Å; L906-A925 HydrophobicContact CG-CB 4.46Å; Q921-A925 PolarHBondContact O-N 3.11Å; Q921-A925 VanDerWaalsContact O-N 3.15Å; A922-A925 PolarHBondContact O-N 3.28Å |
| 926 | S | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -60.5 | 164.9 | -176.6 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | K287 N393 G911 G913 A922 Y928 | K287-S926 PolarHBondContact NZ-O 3.42Å; N393-S926 VanDerWaalsContact CB-O 3.29Å; N393-S926 WeakPolarHBondContact CB-O 3.42Å; N393-S926 PolarHBondContact ND2-O 2.9Å; G911-S926 WeakPolarHBondContact O-CB 3.34Å; G913-S926 PolarHBondContact N-OG 3.23Å; A922-S926 VanDerWaalsContact O-CB 3.3Å; A922-S926 WeakPolarHBondContact O-CB 3.49Å; A922-S926 PolarHBondContact O-N 3.05Å; A922-S926 PolarHBondContact O-OG 2.84Å; S926-Y928 WeakPolarHBondContact CB-O 3.46Å; S926-Y928 PolarHBondContact OG-O 2.67Å |
| 927 | D | 90.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -86.1 | -40.6 | 175.2 | -60 | -50.2 | 0 | 0 | 0 | 110.4 | K287 K290 N393 T394 L397 G911 | K287-D927 WeakPolarHBondContact CE-OD1 3.48Å; K287-D927 IonicContact NZ-OD1 2.7Å; K287-D927 PolarHBondContact NZ-OD1 2.92Å; K290-D927 WeakPolarHBondContact CE-OD2 3.43Å; K290-D927 IonicContact NZ-OD2 2.82Å; K290-D927 PolarHBondContact NZ-OD2 3Å; N393-D927 PolarHBondContact N-O 2.63Å; T394-D927 HydrophobicContact CG2-CB 3.6Å; T394-D927 WeakPolarHBondContact CG2-OD1 3.06Å; T394-D927 PolarHBondContact N-O 2.97Å; L397-D927 HydrophobicContact CD1-CB 4.19Å; G911-D927 PolarHBondContact N-OD2 2.98Å; G911-D927 WeakPolarHBondContact O-CA 3.39Å; G911-D927 WeakPolarHBondContact O-CB 3.46Å; G911-D927 PolarHBondContact O-N 3.29Å |
| 928 | Y | 93.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.5 | 173.1 | -53 | -74.8 | 0 | 0 | 0 | 110.7 | F375 K391 A392 T394 I398 M401 I910 G911 F912 G913 S926 | F375-Y928 HydrophobicContact CD1-CD1 4.14Å; F375-Y928 AromaticContact CE1-CD1 3.87Å; F375-Y928 HydrophobicContact CE1-CD1 3.87Å; F375-Y928 HydrophobicContact CE1-CG 4.29Å; F375-Y928 HydrophobicContact CZ-CD1 4.21Å; F375-Y928 HydrophobicContact CZ-CG 4.28Å; K391-Y928 CarbonylContact O-C 3.27Å; K391-Y928 WeakPolarHBondContact O-CA 3.2Å; A392-Y928 HydrophobicContact CB-CD1 3.93Å; A392-Y928 HydrophobicContact CB-CE1 3.97Å; T394-Y928 PolarHBondContact O-OH 3.05Å; I398-Y928 HydrophobicContact CG1-CE1 4.29Å; I398-Y928 WeakPolarHBondContact CG1-OH 2.98Å; I398-Y928 PolarHBondContact N-OH 3.3Å; M401-Y928 HydrophobicContact CE-CD2 4.32Å; M401-Y928 HydrophobicContact CE-CE1 4.24Å; M401-Y928 HydrophobicContact CE-CE2 3.97Å; M401-Y928 HydrophobicContact CG-CD2 4.48Å; M401-Y928 HydrophobicContact CG-CE2 4.2Å; M401-Y928 HydrophobicContact SD-CD2 3.8Å; M401-Y928 HydrophobicContact SD-CE2 3.87Å; M401-Y928 HydrophobicContact SD-CG 4.31Å; I910-Y928 HydrophobicContact CG2-CD2 4.09Å; I910-Y928 HydrophobicContact CG2-CE2 4.19Å; G911-Y928 PolarHBondContact O-N 2.91Å; G911-Y928 VanDerWaalsContact O-N 3.09Å; F912-Y928 CarbonylContact C-O 3.54Å; F912-Y928 WeakPolarHBondContact CA-O 3.47Å; F912-Y928 HydrophobicContact CD1-CD2 4.4Å; F912-Y928 AromaticContact CE1-CD2 3.94Å; F912-Y928 HydrophobicContact CE1-CD2 3.94Å; F912-Y928 HydrophobicContact CE1-CG 4.41Å; G913-Y928 PolarHBondContact N-O 3.28Å; S926-Y928 WeakPolarHBondContact CB-O 3.46Å; S926-Y928 PolarHBondContact OG-O 2.67Å |
| 929 | A | 92.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A390 K391 G913 V923 | A390-A929 CarbonylContact C-O 3.54Å; A390-A929 VanDerWaalsContact CA-O 3.28Å; A390-A929 WeakPolarHBondContact CA-O 2.87Å; K391-A929 HydrophobicContact CB-CB 4.48Å; K391-A929 PolarHBondContact N-O 3.22Å; K391-A929 PolarHBondContact O-N 3.47Å; G913-A929 WeakPolarHBondContact O-CA 3.28Å; G913-A929 VanDerWaalsContact O-CB 3.26Å; G913-A929 WeakPolarHBondContact O-CB 3.47Å; V923-A929 HydrophobicContact CB-CB 4.34Å; V923-A929 HydrophobicContact CG1-CB 3.84Å; V923-A929 HydrophobicContact CG2-CB 4.28Å |
| 930 | F | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 169.8 | -178.8 | 47.4 | -104.3 | 0 | 0 | 0 | 111.8 | F375 I895 F912 G913 I914 Y915 R932 Y935 L936 V939 | F375-F930 HydrophobicContact CZ-CD1 4.48Å; I895-F930 HydrophobicContact CD1-CE2 3.98Å; I895-F930 HydrophobicContact CD1-CZ 3.83Å; F912-F930 HydrophobicContact CB-CE1 4.4Å; F912-F930 HydrophobicContact CB-CZ 4.35Å; F912-F930 AromaticContact CD1-CE1 3.76Å; F912-F930 HydrophobicContact CD1-CE1 3.76Å; F912-F930 HydrophobicContact CD1-CZ 4.34Å; F912-F930 HydrophobicContact CE1-CE1 4.42Å; F912-F930 HydrophobicContact CG-CE1 4.31Å; F912-F930 HydrophobicContact CG-CZ 4.47Å; G913-F930 PolarHBondContact O-N 3.22Å; G913-F930 VanDerWaalsContact O-N 3.12Å; I914-F930 WeakPolarHBondContact CA-O 3.3Å; I914-F930 HydrophobicContact CG1-CE2 4.45Å; Y915-F930 VanDerWaalsContact CD2-C 3.46Å; Y915-F930 WeakPolarHBondContact CD2-O 3.35Å; Y915-F930 PolarHBondContact N-O 3.35Å; F930-R932 WeakPolarHBondContact CD2-O 3.36Å; F930-R932 VanDerWaalsContact CE2-O 3.3Å; F930-R932 WeakPolarHBondContact CE2-O 3.3Å; F930-Y935 HydrophobicContact CB-CD2 4.3Å; F930-Y935 HydrophobicContact CD2-CD2 4.27Å; F930-L936 HydrophobicContact CE2-CB 4.46Å; F930-L936 HydrophobicContact CZ-CB 4.08Å; F930-L936 HydrophobicContact CZ-CD1 4.01Å; F930-V939 HydrophobicContact CD1-CG2 4Å; F930-V939 HydrophobicContact CE1-CB 4.49Å; F930-V939 HydrophobicContact CE1-CG1 4.5Å; F930-V939 HydrophobicContact CE1-CG2 3.87Å |
| 931 | G | 89.2 | Confident | 89.4 | Confident | 5 Ų | 5 | 18 Ų | 18 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -69.1 | -39.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 932 | R | 91.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 16.2 Ų | 16.2 | 13% | 0.125 | 7% | 0.074 | C | C | . | . | trans | -146.1 | 157.2 | -170.1 | -52.7 | -168.7 | -160 | 166.3 | 14.7 | 112.6 | D383 E769 F930 H934 Y935 | D383-R932 IonicContact OD1-CZ 2.82Å; D383-R932 IonicContact OD1-NE 3.57Å; D383-R932 IonicContact OD1-NH2 2.72Å; D383-R932 PolarHBondContact OD1-NH2 3.24Å; D383-R932 WeakPolarHBondContact OD2-CG 3.26Å; D383-R932 IonicContact OD2-CZ 2.94Å; D383-R932 IonicContact OD2-NE 2.81Å; D383-R932 PolarHBondContact OD2-NE 3.01Å; D383-R932 IonicContact OD2-NH2 3.21Å; E769-R932 IonicContact OE2-CZ 3.57Å; E769-R932 IonicContact OE2-NH1 3.58Å; E769-R932 PolarHBondContact OE2-NH1 3.44Å; F930-R932 WeakPolarHBondContact CD2-O 3.36Å; F930-R932 VanDerWaalsContact CE2-O 3.3Å; F930-R932 WeakPolarHBondContact CE2-O 3.3Å; R932-H934 PolarHBondContact O-N 2.79Å; R932-Y935 HydrophobicContact CB-CD2 4.23Å; R932-Y935 HydrophobicContact CB-CE2 4.21Å; R932-Y935 HydrophobicContact CG-CE2 4.31Å; R932-Y935 PolarHBondContact O-N 3.38Å | ||
| 933 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -57.9 | -40.3 | -179 | -172.9 | -90 | 0 | 0 | 0 | 114 | L407 T414 L415 V771 T774 I775 I895 I914 Y935 L936 | L407-F933 HydrophobicContact CD2-CZ 4.44Å; T414-F933 HydrophobicContact CG2-CD2 4.13Å; T414-F933 WeakPolarHBondContact O-CB 3.41Å; L415-F933 HydrophobicContact CD2-CD1 4.18Å; L415-F933 HydrophobicContact CD2-CD2 3.83Å; L415-F933 HydrophobicContact CD2-CE1 3.96Å; L415-F933 HydrophobicContact CD2-CE2 3.59Å; L415-F933 HydrophobicContact CD2-CG 4.12Å; L415-F933 HydrophobicContact CD2-CZ 3.67Å; V771-F933 HydrophobicContact CB-CD1 4.41Å; V771-F933 HydrophobicContact CG1-CD1 4.45Å; V771-F933 HydrophobicContact CG2-CB 4Å; V771-F933 HydrophobicContact CG2-CD1 3.8Å; V771-F933 HydrophobicContact CG2-CG 4.15Å; T774-F933 HydrophobicContact CG2-CD1 4.04Å; T774-F933 HydrophobicContact CG2-CE1 3.69Å; I775-F933 HydrophobicContact CD1-CE1 4.49Å; I775-F933 HydrophobicContact CG1-CE1 3.98Å; I775-F933 HydrophobicContact CG1-CZ 4.21Å; I895-F933 HydrophobicContact CD1-CD2 4.12Å; I895-F933 HydrophobicContact CD1-CE2 4.49Å; I895-F933 HydrophobicContact CG2-CD2 4.49Å; I895-F933 HydrophobicContact CG2-CE2 4.04Å; I914-F933 HydrophobicContact CD1-CB 4.17Å; F933-Y935 PolarHBondContact O-N 2.99Å; F933-Y935 VanDerWaalsContact O-N 3.11Å; F933-L936 HydrophobicContact CE2-CD2 4.23Å; F933-L936 HydrophobicContact CZ-CD2 4.28Å; F933-L936 WeakPolarHBondContact O-CB 3.24Å; F933-L936 PolarHBondContact O-N 3.39Å |
| 934 | H | 92.1 | Very high | 91.4 | Very high | 61 Ų | 61 | 16.7 Ų | 16.7 | 28% | 0.282 | 8% | 0.075 | S | C | . | . | G | 310 helix | trans | -56.2 | -34.2 | -176 | -180 | 80.8 | 0 | 0 | 0 | 113.6 | E769 G770 T774 R932 L936 K937 | E769-H934 WeakPolarHBondContact O-CB 3.44Å; G770-H934 WeakPolarHBondContact CA-ND1 3.3Å; G770-H934 PolarHBondContact O-ND1 2.92Å; T774-H934 PolarHBondContact OG1-ND1 3.01Å; T774-H934 PolarHBondContact OG1-O 3.44Å; R932-H934 PolarHBondContact O-N 2.79Å; H934-L936 PolarHBondContact O-N 3.42Å; H934-K937 WeakPolarHBondContact O-CB 3.39Å; H934-K937 PolarHBondContact O-N 2.82Å |
| 935 | Y | 94.5 | Very high | 92 | Very high | 35 Ų | 35 | 11.3 Ų | 11.3 | 14% | 0.137 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -57.5 | -23.3 | 178 | -64.3 | -42.7 | 0 | 0 | 0 | 113.6 | N380 L381 Y382 D383 F930 R932 F933 K937 T938 V939 | N380-Y935 WeakPolarHBondContact O-CD1 3.42Å; N380-Y935 WeakPolarHBondContact O-CE1 3.31Å; L381-Y935 HydrophobicContact CD2-CD1 4.36Å; L381-Y935 HydrophobicContact CD2-CG 4.27Å; Y382-Y935 PolarHBondContact O-OH 3.37Å; D383-Y935 HydrophobicContact CB-CE2 4.24Å; F930-Y935 HydrophobicContact CB-CD2 4.3Å; F930-Y935 HydrophobicContact CD2-CD2 4.27Å; R932-Y935 HydrophobicContact CB-CD2 4.23Å; R932-Y935 HydrophobicContact CB-CE2 4.21Å; R932-Y935 HydrophobicContact CG-CE2 4.31Å; R932-Y935 PolarHBondContact O-N 3.38Å; F933-Y935 PolarHBondContact O-N 2.99Å; F933-Y935 VanDerWaalsContact O-N 3.11Å; Y935-K937 PolarHBondContact O-N 2.65Å; Y935-K937 VanDerWaalsContact O-N 3.15Å; Y935-T938 WeakPolarHBondContact O-CB 3.26Å; Y935-T938 PolarHBondContact O-N 3.33Å; Y935-V939 WeakPolarHBondContact O-CG2 3.43Å; Y935-V939 PolarHBondContact O-N 3.05Å |
| 936 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.9 | -30.1 | 175.3 | -171.4 | 62.3 | 0 | 0 | 0 | 112.7 | L407 T774 L778 I895 F912 F930 F933 H934 V939 L940 | L407-L936 HydrophobicContact CD1-CD2 4Å; L407-L936 HydrophobicContact CD2-CD2 3.43Å; L407-L936 VanDerWaalsContact CD2-CD2 3.43Å; L407-L936 HydrophobicContact CG-CD2 4.37Å; T774-L936 HydrophobicContact CG2-CB 4.5Å; L778-L936 HydrophobicContact CD1-CD2 4.11Å; L778-L936 HydrophobicContact CD1-CG 4.47Å; I895-L936 HydrophobicContact CD1-CD2 4.14Å; F912-L936 HydrophobicContact CD1-CD1 4.47Å; F912-L936 HydrophobicContact CD2-CD1 3.83Å; F912-L936 HydrophobicContact CE1-CD1 4.43Å; F912-L936 HydrophobicContact CE2-CD1 3.76Å; F912-L936 HydrophobicContact CG-CD1 4.2Å; F912-L936 HydrophobicContact CZ-CD1 4.08Å; F930-L936 HydrophobicContact CE2-CB 4.46Å; F930-L936 HydrophobicContact CZ-CB 4.08Å; F930-L936 HydrophobicContact CZ-CD1 4.01Å; F933-L936 HydrophobicContact CE2-CD2 4.23Å; F933-L936 HydrophobicContact CZ-CD2 4.28Å; F933-L936 WeakPolarHBondContact O-CB 3.24Å; F933-L936 PolarHBondContact O-N 3.39Å; H934-L936 PolarHBondContact O-N 3.42Å; L936-V939 PolarHBondContact O-N 3.14Å; L936-L940 HydrophobicContact CD1-CD1 3.79Å; L936-L940 HydrophobicContact CD1-CG 3.88Å; L936-L940 HydrophobicContact CD2-CD1 4.48Å; L936-L940 HydrophobicContact CG-CD1 3.9Å; L936-L940 HydrophobicContact CG-CG 4.31Å; L936-L940 PolarHBondContact O-N 3.4Å |
| 937 | K | 93.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 11.6 Ų | 11.6 | 17% | 0.174 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.2 | -49.8 | 171.8 | -173.8 | 179.5 | 179.8 | 179.1 | 0 | 111.2 | T774 A777 H934 Y935 L941 L1017 | T774-K937 HydrophobicContact CG2-CB 4.1Å; A777-K937 HydrophobicContact CB-CD 4.05Å; A777-K937 HydrophobicContact CB-CG 4.25Å; H934-K937 WeakPolarHBondContact O-CB 3.39Å; H934-K937 PolarHBondContact O-N 2.82Å; Y935-K937 PolarHBondContact O-N 2.65Å; Y935-K937 VanDerWaalsContact O-N 3.15Å; K937-L941 HydrophobicContact CG-CD1 3.77Å; K937-L941 WeakPolarHBondContact O-CB 3.39Å; K937-L941 VanDerWaalsContact O-CG 3.3Å; K937-L941 WeakPolarHBondContact O-CG 3.45Å; K937-L941 PolarHBondContact O-N 2.63Å; K937-L1017 HydrophobicContact CD-CD2 4.17Å; K937-L1017 HydrophobicContact CG-CD2 4Å |
| 938 | T | 93.6 | Very high | 93 | Very high | 19 Ų | 19 | 11.5 Ų | 11.5 | 12% | 0.117 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | L381 Y935 I942 H943 | L381-T938 HydrophobicContact CD2-CG2 3.91Å; Y935-T938 WeakPolarHBondContact O-CB 3.26Å; Y935-T938 PolarHBondContact O-N 3.33Å; T938-I942 HydrophobicContact CG2-CD1 4.08Å; T938-I942 WeakPolarHBondContact O-CB 3.37Å; T938-I942 PolarHBondContact O-N 2.83Å; T938-I942 VanDerWaalsContact O-N 3.15Å; T938-H943 PolarHBondContact O-N 2.96Å; T938-H943 VanDerWaalsContact O-N 3.17Å |
| 939 | V | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -63.4 | -47.3 | -179.4 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | F375 L381 M401 F912 F930 Y935 L936 H943 G944 | F375-V939 HydrophobicContact CE2-CB 4.36Å; F375-V939 HydrophobicContact CE2-CG1 3.89Å; F375-V939 HydrophobicContact CE2-CG2 3.76Å; F375-V939 HydrophobicContact CZ-CG1 4.39Å; F375-V939 HydrophobicContact CZ-CG2 4.1Å; L381-V939 HydrophobicContact CD1-CG2 4.15Å; L381-V939 HydrophobicContact CD2-CG2 3.9Å; M401-V939 HydrophobicContact SD-CG1 3.55Å; M401-V939 VanDerWaalsContact SD-CG1 3.55Å; F912-V939 HydrophobicContact CE1-CG1 3.68Å; F912-V939 HydrophobicContact CZ-CG1 4.07Å; F930-V939 HydrophobicContact CD1-CG2 4Å; F930-V939 HydrophobicContact CE1-CB 4.49Å; F930-V939 HydrophobicContact CE1-CG1 4.5Å; F930-V939 HydrophobicContact CE1-CG2 3.87Å; Y935-V939 WeakPolarHBondContact O-CG2 3.43Å; Y935-V939 PolarHBondContact O-N 3.05Å; L936-V939 PolarHBondContact O-N 3.14Å; V939-H943 WeakPolarHBondContact O-CB 3.26Å; V939-H943 PolarHBondContact O-N 3.18Å; V939-G944 PolarHBondContact O-N 3.35Å |
| 940 | L | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -81 | -52.8 | -179 | -63.8 | 175.8 | 0 | 0 | 0 | 111.8 | M401 V404 L778 I783 F912 L936 G944 H945 Y1023 | M401-L940 HydrophobicContact CB-CD2 4.21Å; M401-L940 WeakPolarHBondContact O-CD2 3.22Å; V404-L940 HydrophobicContact CB-CD2 4.39Å; V404-L940 HydrophobicContact CG2-CD2 3.86Å; L778-L940 HydrophobicContact CD2-CB 4.41Å; L778-L940 HydrophobicContact CD2-CD1 3.7Å; I783-L940 HydrophobicContact CD1-CD1 4.02Å; F912-L940 HydrophobicContact CE2-CD2 4.15Å; F912-L940 HydrophobicContact CZ-CD2 3.88Å; L936-L940 HydrophobicContact CD1-CD1 3.79Å; L936-L940 HydrophobicContact CD1-CG 3.88Å; L936-L940 HydrophobicContact CD2-CD1 4.48Å; L936-L940 HydrophobicContact CG-CD1 3.9Å; L936-L940 HydrophobicContact CG-CG 4.31Å; L936-L940 PolarHBondContact O-N 3.4Å; L940-G944 WeakPolarHBondContact O-CA 3.11Å; L940-G944 PolarHBondContact O-N 3.19Å; L940-H945 PolarHBondContact O-N 3.44Å; L940-Y1023 HydrophobicContact CB-CE2 4.39Å; L940-Y1023 WeakPolarHBondContact O-CE2 3.3Å |
| 941 | L | 93.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -73.6 | -32.3 | -170.6 | -54.6 | -179.3 | 0 | 0 | 0 | 113.7 | A777 A781 K937 H945 P1020 Y1023 | A777-L941 HydrophobicContact CB-CD1 4.34Å; A781-L941 HydrophobicContact CB-CD2 3.62Å; K937-L941 HydrophobicContact CG-CD1 3.77Å; K937-L941 WeakPolarHBondContact O-CB 3.39Å; K937-L941 VanDerWaalsContact O-CG 3.3Å; K937-L941 WeakPolarHBondContact O-CG 3.45Å; K937-L941 PolarHBondContact O-N 2.63Å; L941-H945 WeakPolarHBondContact O-CB 3.38Å; L941-P1020 HydrophobicContact CD1-CB 3.87Å; L941-P1020 HydrophobicContact CD1-CG 4.12Å; L941-P1020 HydrophobicContact CD2-CB 4.37Å; L941-Y1023 HydrophobicContact CD2-CD2 4.02Å; L941-Y1023 HydrophobicContact CD2-CG 4.13Å |
| 942 | I | 93 | Very high | 92.9 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 4% | 0.036 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -99.6 | -61.6 | 178.6 | -65.7 | 163.8 | 0 | 0 | 0 | 110.9 | T938 N946 K1013 L1016 L1017 | T938-I942 HydrophobicContact CG2-CD1 4.08Å; T938-I942 WeakPolarHBondContact O-CB 3.37Å; T938-I942 PolarHBondContact O-N 2.83Å; T938-I942 VanDerWaalsContact O-N 3.15Å; I942-N946 WeakPolarHBondContact O-CB 3.37Å; I942-N946 PolarHBondContact O-N 3.31Å; I942-N946 VanDerWaalsContact O-N 3.13Å; I942-N946 PolarHBondContact O-ND2 3.19Å; I942-K1013 HydrophobicContact CD1-CB 3.98Å; I942-K1013 HydrophobicContact CD1-CD 4.41Å; I942-K1013 HydrophobicContact CD1-CG 4.33Å; I942-K1013 HydrophobicContact CG1-CB 4.38Å; I942-K1013 HydrophobicContact CG2-CD 4.04Å; I942-K1013 HydrophobicContact CG2-CG 3.87Å; I942-L1016 HydrophobicContact CG1-CB 4.26Å; I942-L1016 HydrophobicContact CG1-CD1 4.46Å; I942-L1017 HydrophobicContact CD1-CD1 3.72Å; I942-L1017 HydrophobicContact CD1-CD2 3.92Å; I942-L1017 HydrophobicContact CD1-CG 3.7Å; I942-L1017 HydrophobicContact CG1-CD2 4.44Å; I942-L1017 HydrophobicContact CG1-CG 4.31Å |
| 943 | H | 93.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 13.1 Ų | 13.1 | 7% | 0.069 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -66.9 | -54.4 | -173.8 | -75.2 | -80.8 | 0 | 0 | 0 | 110.7 | D378 T938 V939 H945 N946 F947 | D378-H943 IonicContact OD2-CD2 3.22Å; D378-H943 IonicContact OD2-CE1 2.89Å; D378-H943 PolarHBondContact OD2-CE1 3.15Å; D378-H943 IonicContact OD2-NE2 2.74Å; D378-H943 PolarHBondContact OD2-NE2 3.26Å; T938-H943 PolarHBondContact O-N 2.96Å; T938-H943 VanDerWaalsContact O-N 3.17Å; V939-H943 WeakPolarHBondContact O-CB 3.26Å; V939-H943 PolarHBondContact O-N 3.18Å; H943-H945 VanDerWaalsContact C-N 3.35Å; H943-H945 PolarHBondContact O-N 3.49Å; H943-N946 PolarHBondContact O-N 3.38Å; H943-F947 HydrophobicContact CB-CD2 3.93Å; H943-F947 HydrophobicContact CB-CE2 3.78Å; H943-F947 AromaticContact ND1-CE2 3.49Å; H943-F947 WeakPolarHBondContact ND1-CE2 3.27Å; H943-F947 WeakPolarHBondContact O-CB 3.43Å; H943-F947 WeakPolarHBondContact O-CD2 3.49Å; H943-F947 WeakPolarHBondContact O-CG 3.39Å; H943-F947 PolarHBondContact O-N 3.46Å |
| 944 | G | 92.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -52.5 | -48.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M401 G402 V939 L940 Y948 | M401-G944 VanDerWaalsContact C-CA 3.47Å; G402-G944 VanDerWaalsContact CA-O 3.27Å; G402-G944 WeakPolarHBondContact CA-O 3.28Å; G402-G944 PolarHBondContact N-O 3.49Å; V939-G944 PolarHBondContact O-N 3.35Å; L940-G944 WeakPolarHBondContact O-CA 3.11Å; L940-G944 PolarHBondContact O-N 3.19Å; G944-Y948 VanDerWaalsContact O-CB 3.31Å; G944-Y948 WeakPolarHBondContact O-CB 3.31Å; G944-Y948 PolarHBondContact O-N 3.49Å |
| 945 | H | 91.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.009 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.6 | -52.5 | 177.4 | -175.8 | 99.1 | 0 | 0 | 0 | 112.8 | L940 L941 H943 Q949 I1026 | L940-H945 PolarHBondContact O-N 3.44Å; L941-H945 WeakPolarHBondContact O-CB 3.38Å; H943-H945 VanDerWaalsContact C-N 3.35Å; H943-H945 PolarHBondContact O-N 3.49Å; H945-Q949 WeakPolarHBondContact O-CB 3.47Å; H945-Q949 PolarHBondContact O-N 3.46Å; H945-Q949 VanDerWaalsContact O-N 3.09Å; H945-I1026 HydrophobicContact CB-CD1 3.97Å; H945-I1026 WeakPolarHBondContact ND1-CD1 3.4Å |
| 946 | N | 91.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 8.7 Ų | 8.7 | 5% | 0.048 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64 | -46 | -178.8 | -77.6 | -70.1 | 0 | 0 | 0 | 111.7 | I942 H943 Q949 R950 | I942-N946 WeakPolarHBondContact O-CB 3.37Å; I942-N946 PolarHBondContact O-N 3.31Å; I942-N946 VanDerWaalsContact O-N 3.13Å; I942-N946 PolarHBondContact O-ND2 3.19Å; H943-N946 PolarHBondContact O-N 3.38Å; N946-Q949 PolarHBondContact O-N 3Å; N946-R950 WeakPolarHBondContact O-CB 3.5Å; N946-R950 VanDerWaalsContact O-CD 3.25Å; N946-R950 WeakPolarHBondContact O-CD 3.12Å; N946-R950 WeakPolarHBondContact O-CG 3.46Å; N946-R950 PolarHBondContact O-N 3.11Å |
| 947 | F | 93 | Very high | 92.6 | Very high | 12 Ų | 12 | 8.7 Ų | 8.7 | 5% | 0.053 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | -178.1 | -68.9 | -57.7 | 0 | 0 | 0 | 112.7 | G371 I398 H943 Q949 R950 V951 | G371-F947 WeakPolarHBondContact O-CZ 3.5Å; I398-F947 HydrophobicContact CG2-CB 3.67Å; I398-F947 HydrophobicContact CG2-CD1 3.84Å; I398-F947 HydrophobicContact CG2-CD2 3.1Å; I398-F947 HydrophobicContact CG2-CE1 4.23Å; I398-F947 HydrophobicContact CG2-CE2 3.55Å; I398-F947 HydrophobicContact CG2-CG 3.27Å; I398-F947 HydrophobicContact CG2-CZ 4.1Å; H943-F947 HydrophobicContact CB-CD2 3.93Å; H943-F947 HydrophobicContact CB-CE2 3.78Å; H943-F947 AromaticContact ND1-CE2 3.49Å; H943-F947 WeakPolarHBondContact ND1-CE2 3.27Å; H943-F947 WeakPolarHBondContact O-CB 3.43Å; H943-F947 WeakPolarHBondContact O-CD2 3.49Å; H943-F947 WeakPolarHBondContact O-CG 3.39Å; H943-F947 PolarHBondContact O-N 3.46Å; F947-Q949 PolarHBondContact O-N 2.86Å; F947-R950 PolarHBondContact O-N 2.93Å; F947-V951 WeakPolarHBondContact O-CG2 3.18Å; F947-V951 PolarHBondContact O-N 2.9Å |
| 948 | Y | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.2 | 174.8 | -105 | 0 | 0 | 0 | 112.2 | V294 Q403 G944 S952 I1026 N1029 I1031 L1032 | V294-Y948 HydrophobicContact CG2-CD2 4.17Å; V294-Y948 HydrophobicContact CG2-CE2 3.94Å; Q403-Y948 HydrophobicContact CG-CD2 3.7Å; Q403-Y948 HydrophobicContact CG-CE2 3.85Å; Q403-Y948 HydrophobicContact CG-CG 4.33Å; Q403-Y948 VanDerWaalsContact NE2-CE1 3.34Å; G944-Y948 VanDerWaalsContact O-CB 3.31Å; G944-Y948 WeakPolarHBondContact O-CB 3.31Å; G944-Y948 PolarHBondContact O-N 3.49Å; Y948-S952 WeakPolarHBondContact CE2-OG 3.31Å; Y948-S952 WeakPolarHBondContact O-CB 2.92Å; Y948-S952 PolarHBondContact O-N 2.93Å; Y948-S952 PolarHBondContact O-OG 2.75Å; Y948-S952 PolarHBondContact OH-OG 3.27Å; Y948-I1026 HydrophobicContact CD1-CB 3.9Å; Y948-I1026 HydrophobicContact CD1-CD1 4.03Å; Y948-I1026 HydrophobicContact CD1-CG1 4.48Å; Y948-I1026 HydrophobicContact CD1-CG2 4.49Å; Y948-I1026 HydrophobicContact CE1-CB 4.03Å; Y948-I1026 WeakPolarHBondContact CE1-O 3.45Å; Y948-N1029 WeakPolarHBondContact CE2-OD1 3.3Å; Y948-N1029 VanDerWaalsContact OH-C 3.26Å; Y948-N1029 WeakPolarHBondContact OH-CA 3.23Å; Y948-I1031 HydrophobicContact CD1-CD1 3.98Å; Y948-I1031 HydrophobicContact CE1-CB 3.95Å; Y948-I1031 HydrophobicContact CE1-CD1 3.63Å; Y948-I1031 HydrophobicContact CE1-CG1 3.75Å; Y948-L1032 PolarHBondContact OH-N 3.07Å |
| 949 | Q | 91 | Very high | 92.4 | Very high | 27 Ų | 27 | 6.1 Ų | 6.1 | 13% | 0.126 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 180 | 179.7 | 161.3 | 0.8 | 0 | 0 | 112.2 | H945 N946 F947 S952 I953 S1010 I1031 | H945-Q949 WeakPolarHBondContact O-CB 3.47Å; H945-Q949 PolarHBondContact O-N 3.46Å; H945-Q949 VanDerWaalsContact O-N 3.09Å; N946-Q949 PolarHBondContact O-N 3Å; F947-Q949 PolarHBondContact O-N 2.86Å; Q949-S952 PolarHBondContact O-N 2.93Å; Q949-I953 HydrophobicContact CG-CD1 3.64Å; Q949-I953 HydrophobicContact CG-CG1 4.42Å; Q949-I953 WeakPolarHBondContact O-CG1 3.38Å; Q949-I953 PolarHBondContact O-N 2.76Å; Q949-S1010 VanDerWaalsContact CD-CB 3.44Å; Q949-S1010 VanDerWaalsContact CD-OG 3.24Å; Q949-S1010 VanDerWaalsContact OE1-CB 3.26Å; Q949-S1010 PolarHBondContact OE1-OG 3.28Å; Q949-I1031 HydrophobicContact CB-CD1 3.96Å; Q949-I1031 HydrophobicContact CG-CD1 3.96Å |
| 950 | R | 92.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 6.2 Ų | 6.2 | 9% | 0.087 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.6 | -69.5 | 159.2 | 175.1 | -165.2 | -10.2 | 111.9 | Q367 N946 F947 L954 G1005 I1006 E1008 | Q367-R950 VanDerWaalsContact NE2-CB 3.33Å; N946-R950 WeakPolarHBondContact O-CB 3.5Å; N946-R950 VanDerWaalsContact O-CD 3.25Å; N946-R950 WeakPolarHBondContact O-CD 3.12Å; N946-R950 WeakPolarHBondContact O-CG 3.46Å; N946-R950 PolarHBondContact O-N 3.11Å; F947-R950 PolarHBondContact O-N 2.93Å; R950-L954 VanDerWaalsContact O-CB 3.24Å; R950-L954 WeakPolarHBondContact O-CB 3.43Å; R950-L954 PolarHBondContact O-N 3.15Å; R950-L954 VanDerWaalsContact O-N 3.07Å; R950-G1005 WeakPolarHBondContact CD-O 3.3Å; R950-I1006 VanDerWaalsContact CZ-O 3.26Å; R950-I1006 PolarHBondContact NH1-O 3.33Å; R950-I1006 VanDerWaalsContact NH1-O 3.15Å; R950-I1006 PolarHBondContact NH2-O 2.93Å; R950-E1008 HydrophobicContact CG-CB 4.44Å; R950-E1008 PolarHBondContact NE-O 3.34Å; R950-E1008 PolarHBondContact NH2-O 3.17Å |
| 951 | V | 91.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 6.2 Ų | 6.2 | 2% | 0.024 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -66 | -43.7 | 179.4 | 175 | 0 | 0 | 0 | 0 | 110.7 | V294 E399 F947 I953 L954 V955 | V294-V951 HydrophobicContact CG1-CG1 4.05Å; E399-V951 HydrophobicContact CB-CB 4.18Å; E399-V951 HydrophobicContact CB-CG2 4.13Å; E399-V951 HydrophobicContact CG-CG1 4.42Å; F947-V951 WeakPolarHBondContact O-CG2 3.18Å; F947-V951 PolarHBondContact O-N 2.9Å; V951-I953 PolarHBondContact O-N 3.02Å; V951-L954 PolarHBondContact O-N 3.49Å; V951-V955 HydrophobicContact CG1-CG2 4.41Å; V951-V955 WeakPolarHBondContact O-CG2 3.25Å; V951-V955 PolarHBondContact O-N 2.81Å |
| 952 | S | 91.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | -179.5 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | Y948 Q949 V955 L956 | Y948-S952 WeakPolarHBondContact CE2-OG 3.31Å; Y948-S952 WeakPolarHBondContact O-CB 2.92Å; Y948-S952 PolarHBondContact O-N 2.93Å; Y948-S952 PolarHBondContact O-OG 2.75Å; Y948-S952 PolarHBondContact OH-OG 3.27Å; Q949-S952 PolarHBondContact O-N 2.93Å; S952-V955 PolarHBondContact O-N 3.33Å; S952-L956 WeakPolarHBondContact O-CG 3.46Å; S952-L956 PolarHBondContact O-N 3.44Å |
| 953 | I | 91.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 6.2 Ų | 6.2 | 9% | 0.092 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -69.5 | -37.8 | 178.6 | -66.3 | 172.1 | 0 | 0 | 0 | 110.6 | Q949 V951 V955 L956 Y957 Y1004 I1031 W1040 I1097 | Q949-I953 HydrophobicContact CG-CD1 3.64Å; Q949-I953 HydrophobicContact CG-CG1 4.42Å; Q949-I953 WeakPolarHBondContact O-CG1 3.38Å; Q949-I953 PolarHBondContact O-N 2.76Å; V951-I953 PolarHBondContact O-N 3.02Å; I953-V955 PolarHBondContact O-N 3.04Å; I953-L956 PolarHBondContact O-N 3.01Å; I953-Y957 VanDerWaalsContact O-CB 3.31Å; I953-Y957 WeakPolarHBondContact O-CB 3.27Å; I953-Y957 PolarHBondContact O-N 3.35Å; I953-Y1004 HydrophobicContact CB-CE1 4.01Å; I953-Y1004 VanDerWaalsContact CD1-OH 3.26Å; I953-Y1004 WeakPolarHBondContact CD1-OH 3.16Å; I953-Y1004 HydrophobicContact CG2-CE1 3.59Å; I953-I1031 HydrophobicContact CG1-CG2 4.25Å; I953-W1040 HydrophobicContact CG2-CH2 4.46Å; I953-W1040 HydrophobicContact CG2-CZ2 4.48Å; I953-I1097 HydrophobicContact CG2-CG2 3.87Å |
| 954 | L | 92 | Very high | 92.2 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.8 | -174.3 | 140.8 | 0 | 0 | 0 | 111.7 | L360 T363 I364 R950 V951 L956 Y957 F958 I1001 | L360-L954 HydrophobicContact CD1-CD2 3.76Å; T363-L954 HydrophobicContact CG2-CD1 3.85Å; T363-L954 HydrophobicContact CG2-CD2 4.46Å; I364-L954 HydrophobicContact CG1-CD2 3.72Å; R950-L954 VanDerWaalsContact O-CB 3.24Å; R950-L954 WeakPolarHBondContact O-CB 3.43Å; R950-L954 PolarHBondContact O-N 3.15Å; R950-L954 VanDerWaalsContact O-N 3.07Å; V951-L954 PolarHBondContact O-N 3.49Å; L954-L956 PolarHBondContact O-N 3.49Å; L954-Y957 PolarHBondContact O-N 3.39Å; L954-F958 HydrophobicContact CD1-CE2 4.28Å; L954-F958 HydrophobicContact CD2-CD2 3.64Å; L954-F958 HydrophobicContact CD2-CE2 3.72Å; L954-F958 HydrophobicContact CG-CD2 3.83Å; L954-F958 HydrophobicContact CG-CE2 3.85Å; L954-F958 WeakPolarHBondContact O-CD2 3.45Å; L954-F958 PolarHBondContact O-N 3.5Å; L954-I1001 HydrophobicContact CD1-CG1 3.93Å; L954-I1001 HydrophobicContact CG-CG1 3.93Å |
| 955 | V | 91.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 175.9 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | L298 L360 I364 V951 S952 I953 Y957 F958 F959 L1032 | L298-V955 HydrophobicContact CD1-CG1 4.28Å; L298-V955 HydrophobicContact CD1-CG2 3.96Å; L298-V955 HydrophobicContact CG-CG1 4.45Å; L360-V955 HydrophobicContact CD1-CG2 4.32Å; I364-V955 HydrophobicContact CD1-CG2 3.86Å; V951-V955 HydrophobicContact CG1-CG2 4.41Å; V951-V955 WeakPolarHBondContact O-CG2 3.25Å; V951-V955 PolarHBondContact O-N 2.81Å; S952-V955 PolarHBondContact O-N 3.33Å; I953-V955 PolarHBondContact O-N 3.04Å; V955-Y957 PolarHBondContact O-N 3.48Å; V955-F958 PolarHBondContact O-N 2.94Å; V955-F959 HydrophobicContact CG1-CD2 3.98Å; V955-F959 HydrophobicContact CG1-CE2 3.67Å; V955-F959 VanDerWaalsContact O-CD2 3.3Å; V955-F959 WeakPolarHBondContact O-CD2 3.45Å; V955-F959 PolarHBondContact O-N 2.94Å; V955-L1032 HydrophobicContact CB-CD2 4.21Å; V955-L1032 HydrophobicContact CG1-CD2 4.09Å |
| 956 | L | 92.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.016 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 178.1 | -68.7 | 171.8 | 0 | 0 | 0 | 111.6 | S952 I953 L954 F958 F959 Y960 I1031 L1032 F1037 W1040 | S952-L956 WeakPolarHBondContact O-CG 3.46Å; S952-L956 PolarHBondContact O-N 3.44Å; I953-L956 PolarHBondContact O-N 3.01Å; L954-L956 PolarHBondContact O-N 3.49Å; L956-F958 PolarHBondContact O-N 3.47Å; L956-F959 PolarHBondContact O-N 2.88Å; L956-Y960 WeakPolarHBondContact O-CB 3.32Å; L956-Y960 PolarHBondContact O-N 3.43Å; L956-I1031 HydrophobicContact CD1-CG2 4.45Å; L956-L1032 HydrophobicContact CD2-CD2 4.3Å; L956-L1032 HydrophobicContact CG-CD2 4.08Å; L956-F1037 HydrophobicContact CD2-CB 4.22Å; L956-F1037 HydrophobicContact CD2-CD2 4.07Å; L956-W1040 HydrophobicContact CB-CD2 3.91Å; L956-W1040 HydrophobicContact CB-CE3 4.28Å; L956-W1040 HydrophobicContact CB-CG 4.15Å; L956-W1040 HydrophobicContact CB-CZ2 4.39Å |
| 957 | Y | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 178.3 | 178.5 | -85.8 | 0 | 0 | 0 | 112.7 | I953 L954 V955 Y960 K961 I1001 W1040 V1090 V1094 I1097 | I953-Y957 VanDerWaalsContact O-CB 3.31Å; I953-Y957 WeakPolarHBondContact O-CB 3.27Å; I953-Y957 PolarHBondContact O-N 3.35Å; L954-Y957 PolarHBondContact O-N 3.39Å; V955-Y957 PolarHBondContact O-N 3.48Å; Y957-Y960 HydrophobicContact CD2-CD1 4.26Å; Y957-Y960 PolarHBondContact O-N 3.28Å; Y957-K961 HydrophobicContact CD1-CB 4.49Å; Y957-K961 HydrophobicContact CD1-CD 3.9Å; Y957-K961 HydrophobicContact CE1-CB 4.2Å; Y957-K961 HydrophobicContact CE1-CD 3.53Å; Y957-K961 HydrophobicContact CE1-CG 4.42Å; Y957-K961 WeakPolarHBondContact O-CB 3.18Å; Y957-K961 PolarHBondContact O-N 3.1Å; Y957-I1001 HydrophobicContact CD1-CB 3.89Å; Y957-I1001 HydrophobicContact CD1-CD1 3.46Å; Y957-I1001 VanDerWaalsContact CD1-CD1 3.46Å; Y957-I1001 HydrophobicContact CD1-CG1 3.42Å; Y957-I1001 VanDerWaalsContact CD1-CG1 3.42Å; Y957-I1001 HydrophobicContact CD1-CG2 4.4Å; Y957-I1001 HydrophobicContact CD2-CD1 4.24Å; Y957-I1001 HydrophobicContact CE1-CB 3.61Å; Y957-I1001 HydrophobicContact CE1-CD1 3.89Å; Y957-I1001 HydrophobicContact CE1-CG1 3.72Å; Y957-I1001 HydrophobicContact CE1-CG2 4.07Å; Y957-I1001 HydrophobicContact CG-CD1 3.62Å; Y957-I1001 HydrophobicContact CG-CG1 4.12Å; Y957-W1040 HydrophobicContact CD2-CZ3 4.19Å; Y957-V1090 HydrophobicContact CE2-CG1 4.46Å; Y957-V1090 WeakPolarHBondContact OH-CG1 3.22Å; Y957-V1090 PolarHBondContact OH-O 3.16Å; Y957-V1090 VanDerWaalsContact OH-O 3.12Å; Y957-V1094 HydrophobicContact CD2-CG2 4.43Å; Y957-V1094 HydrophobicContact CE1-CG2 4.37Å; Y957-V1094 HydrophobicContact CE2-CG2 3.46Å; Y957-V1094 VanDerWaalsContact CE2-CG2 3.46Å; Y957-V1094 VanDerWaalsContact CZ-CG2 3.4Å; Y957-V1094 WeakPolarHBondContact OH-CG2 3.32Å; Y957-I1097 HydrophobicContact CD2-CD1 4.26Å |
| 958 | F | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 177.9 | -99 | -94 | 0 | 0 | 0 | 113.1 | P357 L360 T363 L954 V955 L956 K961 N962 I1001 | P357-F958 HydrophobicContact CB-CB 4.47Å; P357-F958 HydrophobicContact CB-CD1 4.05Å; L360-F958 HydrophobicContact CB-CB 4.25Å; L360-F958 HydrophobicContact CB-CD1 3.76Å; L360-F958 HydrophobicContact CB-CE1 4.31Å; L360-F958 HydrophobicContact CB-CG 4.05Å; L360-F958 HydrophobicContact CD1-CB 3.66Å; L360-F958 HydrophobicContact CD1-CD1 4.22Å; L360-F958 HydrophobicContact CD1-CD2 3.82Å; L360-F958 HydrophobicContact CD1-CG 3.65Å; L360-F958 HydrophobicContact CD2-CB 4.25Å; L360-F958 HydrophobicContact CG-CB 4.28Å; L360-F958 HydrophobicContact CG-CG 4.38Å; T363-F958 HydrophobicContact CG2-CE2 3.88Å; T363-F958 HydrophobicContact CG2-CZ 3.92Å; T363-F958 WeakPolarHBondContact OG1-CZ 3.29Å; L954-F958 HydrophobicContact CD1-CE2 4.28Å; L954-F958 HydrophobicContact CD2-CD2 3.64Å; L954-F958 HydrophobicContact CD2-CE2 3.72Å; L954-F958 HydrophobicContact CG-CD2 3.83Å; L954-F958 HydrophobicContact CG-CE2 3.85Å; L954-F958 WeakPolarHBondContact O-CD2 3.45Å; L954-F958 PolarHBondContact O-N 3.5Å; V955-F958 PolarHBondContact O-N 2.94Å; L956-F958 PolarHBondContact O-N 3.47Å; F958-K961 HydrophobicContact CD1-CD 4.32Å; F958-K961 HydrophobicContact CG-CD 4.45Å; F958-N962 WeakPolarHBondContact O-CB 3.49Å; F958-N962 PolarHBondContact O-N 3.02Å; F958-N962 PolarHBondContact O-ND2 2.89Å; F958-I1001 HydrophobicContact CD2-CG1 4.36Å; F958-I1001 HydrophobicContact CD2-CG2 4.41Å; F958-I1001 HydrophobicContact CE2-CG1 4.1Å; F958-I1001 HydrophobicContact CE2-CG2 3.55Å; F958-I1001 HydrophobicContact CZ-CG2 3.93Å |
| 959 | F | 92.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 5.4 Ų | 5.4 | 2% | 0.022 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 172.7 | -70.4 | -55.4 | 0 | 0 | 0 | 111.2 | L298 I305 P357 L360 V955 L956 K961 N962 L963 F1037 | L298-F959 HydrophobicContact CG-CZ 4.41Å; I305-F959 HydrophobicContact CD1-CB 4.37Å; I305-F959 HydrophobicContact CD1-CD1 3.16Å; I305-F959 HydrophobicContact CD1-CD2 4.49Å; I305-F959 HydrophobicContact CD1-CE1 3.35Å; I305-F959 HydrophobicContact CD1-CG 3.79Å; I305-F959 HydrophobicContact CD1-CZ 4.11Å; P357-F959 HydrophobicContact CG-CD1 3.96Å; P357-F959 HydrophobicContact CG-CE1 3.86Å; L360-F959 HydrophobicContact CD2-CE1 4.46Å; L360-F959 HydrophobicContact CD2-CE2 4.41Å; L360-F959 HydrophobicContact CD2-CZ 4.16Å; V955-F959 HydrophobicContact CG1-CD2 3.98Å; V955-F959 HydrophobicContact CG1-CE2 3.67Å; V955-F959 VanDerWaalsContact O-CD2 3.3Å; V955-F959 WeakPolarHBondContact O-CD2 3.45Å; V955-F959 PolarHBondContact O-N 2.94Å; L956-F959 PolarHBondContact O-N 2.88Å; F959-K961 PolarHBondContact O-N 2.77Å; F959-N962 PolarHBondContact O-N 3.36Å; F959-L963 WeakPolarHBondContact O-CB 3.45Å; F959-L963 PolarHBondContact O-N 2.87Å; F959-F1037 HydrophobicContact CB-CE2 4.33Å; F959-F1037 AromaticContact CD2-CE2 3.89Å; F959-F1037 HydrophobicContact CD2-CE2 3.89Å; F959-F1037 HydrophobicContact CE2-CE2 4.47Å; F959-F1037 HydrophobicContact CG-CE2 4.24Å |
| 960 | Y | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 0% | 0.004 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.5 | -49.9 | 174.2 | 158.1 | -86.6 | 0 | 0 | 0 | 112.7 | L956 Y957 N962 L963 I964 W1040 A1044 H1047 V1090 K1093 | L956-Y960 WeakPolarHBondContact O-CB 3.32Å; L956-Y960 PolarHBondContact O-N 3.43Å; Y957-Y960 HydrophobicContact CD2-CD1 4.26Å; Y957-Y960 PolarHBondContact O-N 3.28Å; Y960-N962 VanDerWaalsContact C-N 3.32Å; Y960-N962 PolarHBondContact O-N 3.47Å; Y960-L963 PolarHBondContact O-N 3.22Å; Y960-I964 WeakPolarHBondContact O-CG2 3.46Å; Y960-I964 PolarHBondContact O-N 3.08Å; Y960-W1040 HydrophobicContact CD1-CZ3 4.4Å; Y960-W1040 HydrophobicContact CD2-CE3 4.3Å; Y960-W1040 AromaticContact CG-CE3 3.94Å; Y960-W1040 HydrophobicContact CG-CE3 3.94Å; Y960-W1040 HydrophobicContact CG-CZ3 4.21Å; Y960-A1044 HydrophobicContact CD2-CB 3.62Å; Y960-A1044 HydrophobicContact CE2-CB 4.12Å; Y960-A1044 HydrophobicContact CG-CB 4.38Å; Y960-H1047 AromaticContact CE2-CE1 3.99Å; Y960-H1047 AromaticContact CE2-ND1 3.41Å; Y960-H1047 WeakPolarHBondContact CE2-ND1 3.35Å; Y960-H1047 AromaticContact CZ-ND1 3.55Å; Y960-H1047 PolarHBondContact OH-ND1 2.92Å; Y960-V1090 HydrophobicContact CE1-CG2 4.2Å; Y960-K1093 HydrophobicContact CD1-CD 4.11Å; Y960-K1093 HydrophobicContact CE1-CD 3.42Å; Y960-K1093 VanDerWaalsContact CE1-CD 3.42Å; Y960-K1093 HydrophobicContact CE2-CD 3.9Å; Y960-K1093 WeakPolarHBondContact OH-CD 3.36Å |
| 961 | K | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70.8 | -26.6 | -174 | 87.4 | -172.1 | -173.1 | 69.3 | 0 | 113.3 | Y957 F958 F959 I964 F965 F992 N993 T997 V1090 | Y957-K961 HydrophobicContact CD1-CB 4.49Å; Y957-K961 HydrophobicContact CD1-CD 3.9Å; Y957-K961 HydrophobicContact CE1-CB 4.2Å; Y957-K961 HydrophobicContact CE1-CD 3.53Å; Y957-K961 HydrophobicContact CE1-CG 4.42Å; Y957-K961 WeakPolarHBondContact O-CB 3.18Å; Y957-K961 PolarHBondContact O-N 3.1Å; F958-K961 HydrophobicContact CD1-CD 4.32Å; F958-K961 HydrophobicContact CG-CD 4.45Å; F959-K961 PolarHBondContact O-N 2.77Å; K961-I964 VanDerWaalsContact O-CG2 3.3Å; K961-I964 WeakPolarHBondContact O-CG2 3.26Å; K961-F965 WeakPolarHBondContact O-CB 3.46Å; K961-F992 WeakPolarHBondContact O-CE1 3.35Å; K961-F992 WeakPolarHBondContact O-CZ 3.46Å; K961-N993 PolarHBondContact NZ-OD1 2.94Å; K961-T997 PolarHBondContact NZ-OG1 3.24Å; K961-V1090 HydrophobicContact CB-CG1 4.1Å |
| 962 | N | 91.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -84.5 | -33.1 | 177.5 | -81.2 | -91.8 | 0 | 0 | 0 | 111.2 | Y354 P357 F958 F959 Y960 T966 N993 | Y354-N962 VanDerWaalsContact O-CB 3.29Å; Y354-N962 WeakPolarHBondContact O-CB 3.14Å; Y354-N962 PolarHBondContact O-OD1 3.44Å; Y354-N962 VanDerWaalsContact O-OD1 3.08Å; P357-N962 HydrophobicContact CB-CB 4.48Å; P357-N962 WeakPolarHBondContact CB-ND2 3.45Å; F958-N962 WeakPolarHBondContact O-CB 3.49Å; F958-N962 PolarHBondContact O-N 3.02Å; F958-N962 PolarHBondContact O-ND2 2.89Å; F959-N962 PolarHBondContact O-N 3.36Å; Y960-N962 VanDerWaalsContact C-N 3.32Å; Y960-N962 PolarHBondContact O-N 3.47Å; N962-T966 PolarHBondContact O-N 2.87Å; N962-T966 VanDerWaalsContact O-N 3.09Å; N962-T966 PolarHBondContact O-OG1 3.32Å; N962-N993 PolarHBondContact OD1-ND2 3.11Å; N962-N993 PolarHBondContact OD1-OD1 3.44Å; N962-N993 VanDerWaalsContact OD1-OD1 3.1Å |
| 963 | L | 93.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 8 Ų | 8 | 5% | 0.052 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -71.3 | -46.3 | 174.3 | -173.2 | 63.2 | 0 | 0 | 0 | 112.3 | F308 I355 F959 Y960 F965 T966 L967 I1041 A1044 | F308-L963 HydrophobicContact CE1-CD1 4.08Å; I355-L963 HydrophobicContact CG2-CD1 4.28Å; F959-L963 WeakPolarHBondContact O-CB 3.45Å; F959-L963 PolarHBondContact O-N 2.87Å; Y960-L963 PolarHBondContact O-N 3.22Å; L963-F965 PolarHBondContact O-N 3.24Å; L963-T966 PolarHBondContact O-N 2.97Å; L963-T966 VanDerWaalsContact O-N 3.14Å; L963-L967 HydrophobicContact CD1-CD1 3.98Å; L963-L967 HydrophobicContact CD1-CD2 4.05Å; L963-L967 HydrophobicContact CD1-CG 3.71Å; L963-L967 HydrophobicContact CD2-CD1 4.3Å; L963-L967 HydrophobicContact CG-CD1 3.72Å; L963-L967 HydrophobicContact CG-CG 3.95Å; L963-L967 WeakPolarHBondContact O-CB 2.97Å; L963-L967 WeakPolarHBondContact O-CG 3.31Å; L963-L967 PolarHBondContact O-N 2.83Å; L963-I1041 HydrophobicContact CD2-CB 4.47Å; L963-I1041 HydrophobicContact CD2-CD1 3.62Å; L963-I1041 HydrophobicContact CD2-CG2 3.83Å; L963-A1044 HydrophobicContact CB-CB 4.11Å; L963-A1044 HydrophobicContact CD2-CB 3.95Å; L963-A1044 HydrophobicContact CG-CB 4.16Å |
| 964 | I | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.5 | -32 | 174.5 | -171 | -176.4 | 0 | 0 | 0 | 112.1 | Y960 K961 P968 H1047 A1048 I1086 I1089 V1090 | Y960-I964 WeakPolarHBondContact O-CG2 3.46Å; Y960-I964 PolarHBondContact O-N 3.08Å; K961-I964 VanDerWaalsContact O-CG2 3.3Å; K961-I964 WeakPolarHBondContact O-CG2 3.26Å; I964-P968 WeakPolarHBondContact O-CD 3.44Å; I964-P968 WeakPolarHBondContact O-CG 3.33Å; I964-H1047 HydrophobicContact CD1-CB 3.39Å; I964-H1047 HydrophobicContact CG1-CB 4.01Å; I964-A1048 HydrophobicContact CG1-CB 4.27Å; I964-I1086 HydrophobicContact CD1-CG2 4.21Å; I964-I1086 HydrophobicContact CG1-CG1 4.47Å; I964-I1086 HydrophobicContact CG1-CG2 4.28Å; I964-I1086 HydrophobicContact CG2-CG2 4.18Å; I964-I1089 HydrophobicContact CD1-CG2 4.1Å; I964-V1090 HydrophobicContact CD1-CG2 4.17Å; I964-V1090 HydrophobicContact CG2-CG2 3.81Å |
| 965 | F | 92.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 176.4 | -179.2 | -111.9 | 0 | 0 | 0 | 112.7 | Y354 K961 L963 Y984 L989 F992 I1083 | Y354-F965 HydrophobicContact CD1-CE1 4.23Å; Y354-F965 HydrophobicContact CG-CE1 4.13Å; K961-F965 WeakPolarHBondContact O-CB 3.46Å; L963-F965 PolarHBondContact O-N 3.24Å; F965-Y984 HydrophobicContact CD2-CE2 4.1Å; F965-Y984 AromaticContact CE2-CD2 3.92Å; F965-Y984 HydrophobicContact CE2-CD2 3.92Å; F965-Y984 AromaticContact CE2-CE2 3.85Å; F965-Y984 HydrophobicContact CE2-CE2 3.85Å; F965-Y984 HydrophobicContact CE2-CG 4.36Å; F965-Y984 AromaticContact CZ-CD2 3.96Å; F965-Y984 HydrophobicContact CZ-CD2 3.96Å; F965-Y984 HydrophobicContact CZ-CE2 4.22Å; F965-Y984 VanDerWaalsContact O-CE2 3.28Å; F965-Y984 WeakPolarHBondContact O-CE2 3.47Å; F965-Y984 PolarHBondContact O-OH 2.96Å; F965-L989 HydrophobicContact CE1-CD2 4.04Å; F965-L989 HydrophobicContact CZ-CD2 3.78Å; F965-F992 HydrophobicContact CB-CD1 4.07Å; F965-F992 HydrophobicContact CB-CE1 3.5Å; F965-F992 VanDerWaalsContact CB-CE1 3.5Å; F965-F992 HydrophobicContact CB-CZ 3.79Å; F965-F992 AromaticContact CD1-CD1 3.96Å; F965-F992 HydrophobicContact CD1-CD1 3.96Å; F965-F992 HydrophobicContact CD1-CE1 4.24Å; F965-F992 HydrophobicContact CD2-CB 4.34Å; F965-F992 AromaticContact CD2-CD1 3.62Å; F965-F992 HydrophobicContact CD2-CD1 3.62Å; F965-F992 AromaticContact CD2-CD2 3.79Å; F965-F992 HydrophobicContact CD2-CD2 3.79Å; F965-F992 AromaticContact CD2-CE1 3.78Å; F965-F992 HydrophobicContact CD2-CE1 3.78Å; F965-F992 AromaticContact CD2-CE2 3.93Å; F965-F992 HydrophobicContact CD2-CE2 3.93Å; F965-F992 AromaticContact CD2-CG 3.63Å; F965-F992 HydrophobicContact CD2-CG 3.63Å; F965-F992 AromaticContact CD2-CZ 3.92Å; F965-F992 HydrophobicContact CD2-CZ 3.92Å; F965-F992 HydrophobicContact CE1-CD1 4.27Å; F965-F992 HydrophobicContact CE2-CB 3.85Å; F965-F992 AromaticContact CE2-CD1 3.97Å; F965-F992 HydrophobicContact CE2-CD1 3.97Å; F965-F992 AromaticContact CE2-CD2 3.98Å; F965-F992 HydrophobicContact CE2-CD2 3.98Å; F965-F992 AromaticContact CE2-CG 3.65Å; F965-F992 HydrophobicContact CE2-CG 3.65Å; F965-F992 AromaticContact CG-CD1 3.61Å; F965-F992 HydrophobicContact CG-CD1 3.61Å; F965-F992 AromaticContact CG-CE1 3.58Å; F965-F992 HydrophobicContact CG-CE1 3.58Å; F965-F992 HydrophobicContact CG-CG 4.12Å; F965-F992 HydrophobicContact CG-CZ 4.05Å; F965-F992 HydrophobicContact CZ-CB 3.99Å; F965-F992 HydrophobicContact CZ-CD1 4.26Å; F965-F992 HydrophobicContact CZ-CG 4.13Å; F965-I1083 HydrophobicContact CE2-CD1 3.89Å; F965-I1083 HydrophobicContact CE2-CG1 4.34Å |
| 966 | T | 91.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -88.1 | -27.8 | -173 | -43.8 | 0 | 0 | 0 | 0 | 113.7 | Y352 Y354 I355 N962 L963 Q969 M970 | Y352-T966 HydrophobicContact CD1-CG2 4.21Å; Y354-T966 VanDerWaalsContact C-OG1 3.26Å; Y354-T966 PolarHBondContact O-OG1 3.28Å; I355-T966 HydrophobicContact CD1-CG2 4.25Å; I355-T966 HydrophobicContact CG1-CG2 3.63Å; I355-T966 PolarHBondContact N-OG1 3.08Å; N962-T966 PolarHBondContact O-N 2.87Å; N962-T966 VanDerWaalsContact O-N 3.09Å; N962-T966 PolarHBondContact O-OG1 3.32Å; L963-T966 PolarHBondContact O-N 2.97Å; L963-T966 VanDerWaalsContact O-N 3.14Å; T966-Q969 VanDerWaalsContact O-CB 3.22Å; T966-Q969 WeakPolarHBondContact O-CB 3.44Å; T966-Q969 PolarHBondContact O-N 2.93Å; T966-Q969 VanDerWaalsContact O-N 3.11Å; T966-M970 PolarHBondContact O-N 3.5Å |
| 967 | L | 93.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 179 | -77.7 | 175.4 | 0 | 0 | 0 | 114.5 | F308 L963 Q969 M970 F971 C1045 A1048 | F308-L967 HydrophobicContact CZ-CD2 4.39Å; L963-L967 HydrophobicContact CD1-CD1 3.98Å; L963-L967 HydrophobicContact CD1-CD2 4.05Å; L963-L967 HydrophobicContact CD1-CG 3.71Å; L963-L967 HydrophobicContact CD2-CD1 4.3Å; L963-L967 HydrophobicContact CG-CD1 3.72Å; L963-L967 HydrophobicContact CG-CG 3.95Å; L963-L967 WeakPolarHBondContact O-CB 2.97Å; L963-L967 WeakPolarHBondContact O-CG 3.31Å; L963-L967 PolarHBondContact O-N 2.83Å; L967-Q969 VanDerWaalsContact C-N 3.27Å; L967-Q969 PolarHBondContact O-N 2.83Å; L967-M970 HydrophobicContact CD2-CE 4.46Å; L967-M970 HydrophobicContact CD2-SD 4Å; L967-M970 CarbonylContact O-C 3.55Å; L967-M970 WeakPolarHBondContact O-CA 3.35Å; L967-M970 WeakPolarHBondContact O-CB 3.17Å; L967-M970 PolarHBondContact O-N 2.93Å; L967-F971 HydrophobicContact CB-CE2 4.12Å; L967-F971 HydrophobicContact CB-CZ 4.26Å; L967-F971 WeakPolarHBondContact O-CD2 3.06Å; L967-F971 VanDerWaalsContact O-CG 3.31Å; L967-F971 WeakPolarHBondContact O-CG 3.27Å; L967-F971 PolarHBondContact O-N 3.44Å; L967-C1045 HydrophobicContact CD1-CB 4.24Å; L967-A1048 HydrophobicContact CB-CB 3.53Å; L967-A1048 HydrophobicContact CD1-CB 3.81Å; L967-A1048 HydrophobicContact CG-CB 4.34Å |
| 968 | P | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.8 | -34.3 | 173.1 | -26.9 | 36.7 | 0 | 0 | 0 | 113.5 | I964 M970 F971 Y972 Y984 A1048 F1052 I1082 I1086 | I964-P968 WeakPolarHBondContact O-CD 3.44Å; I964-P968 WeakPolarHBondContact O-CG 3.33Å; P968-M970 VanDerWaalsContact C-N 3.31Å; P968-F971 PolarHBondContact O-N 2.94Å; P968-Y972 WeakPolarHBondContact O-CB 3.38Å; P968-Y972 PolarHBondContact O-N 3.11Å; P968-Y984 WeakPolarHBondContact CB-OH 3.29Å; P968-A1048 HydrophobicContact CG-CB 4.3Å; P968-F1052 HydrophobicContact CB-CB 4.09Å; P968-F1052 HydrophobicContact CB-CD2 3.92Å; P968-F1052 HydrophobicContact CB-CG 4.38Å; P968-F1052 HydrophobicContact CG-CB 4.41Å; P968-I1082 HydrophobicContact CB-CG2 4.24Å; P968-I1082 HydrophobicContact CG-CG2 4.49Å; P968-I1086 HydrophobicContact CG-CD1 3.86Å |
| 969 | Q | 90.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 173.1 | -165.6 | 97.3 | -32.6 | 0 | 0 | 111 | L351 T966 L967 S982 | L351-Q969 HydrophobicContact CD1-CG 4.4Å; L351-Q969 HydrophobicContact CD2-CG 4.34Å; L351-Q969 HydrophobicContact CG-CG 4.08Å; T966-Q969 VanDerWaalsContact O-CB 3.22Å; T966-Q969 WeakPolarHBondContact O-CB 3.44Å; T966-Q969 PolarHBondContact O-N 2.93Å; T966-Q969 VanDerWaalsContact O-N 3.11Å; L967-Q969 VanDerWaalsContact C-N 3.27Å; L967-Q969 PolarHBondContact O-N 2.83Å; Q969-S982 PolarHBondContact NE2-OG 2.95Å; Q969-S982 PolarHBondContact OE1-OG 3.29Å |
| 970 | M | 91.3 | Very high | 90.3 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 14% | 0.143 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.2 | -43.2 | 174.4 | -64.1 | 174.4 | 55.4 | 0 | 0 | 112.1 | F308 Y352 I355 T966 L967 P968 Y972 G973 | F308-M970 HydrophobicContact CE1-CE 4.33Å; F308-M970 HydrophobicContact CE1-SD 4.32Å; F308-M970 HydrophobicContact CZ-CE 3.98Å; F308-M970 HydrophobicContact CZ-SD 4.46Å; Y352-M970 HydrophobicContact CD1-CG 3.83Å; Y352-M970 HydrophobicContact CE1-CB 4.36Å; Y352-M970 HydrophobicContact CE1-CG 3.48Å; Y352-M970 VanDerWaalsContact CE1-CG 3.48Å; Y352-M970 HydrophobicContact CE2-CG 4.27Å; Y352-M970 HydrophobicContact CG-CG 4.39Å; I355-M970 HydrophobicContact CD1-SD 4.34Å; T966-M970 PolarHBondContact O-N 3.5Å; L967-M970 HydrophobicContact CD2-CE 4.46Å; L967-M970 HydrophobicContact CD2-SD 4Å; L967-M970 CarbonylContact O-C 3.55Å; L967-M970 WeakPolarHBondContact O-CA 3.35Å; L967-M970 WeakPolarHBondContact O-CB 3.17Å; L967-M970 PolarHBondContact O-N 2.93Å; P968-M970 VanDerWaalsContact C-N 3.31Å; M970-Y972 VanDerWaalsContact C-N 3.31Å; M970-Y972 PolarHBondContact O-N 3.21Å; M970-G973 PolarHBondContact O-N 3.46Å |
| 971 | F | 92.7 | Very high | 90 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 17% | 0.167 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 177.8 | -61.5 | -30.9 | 0 | 0 | 0 | 112.4 | L967 P968 G973 F974 F975 A1048 F1049 F1052 F1053 | L967-F971 HydrophobicContact CB-CE2 4.12Å; L967-F971 HydrophobicContact CB-CZ 4.26Å; L967-F971 WeakPolarHBondContact O-CD2 3.06Å; L967-F971 VanDerWaalsContact O-CG 3.31Å; L967-F971 WeakPolarHBondContact O-CG 3.27Å; L967-F971 PolarHBondContact O-N 3.44Å; P968-F971 PolarHBondContact O-N 2.94Å; F971-G973 PolarHBondContact O-N 2.86Å; F971-F974 HydrophobicContact CD1-CE2 4.1Å; F971-F974 WeakPolarHBondContact O-CB 3.36Å; F971-F974 VanDerWaalsContact O-CD2 3.22Å; F971-F974 WeakPolarHBondContact O-CD2 3.36Å; F971-F974 PolarHBondContact O-N 2.99Å; F971-F975 WeakPolarHBondContact O-CD2 3.37Å; F971-A1048 HydrophobicContact CE2-CB 4.09Å; F971-F1049 HydrophobicContact CE2-CB 4.5Å; F971-F1052 HydrophobicContact CB-CD1 3.66Å; F971-F1052 HydrophobicContact CB-CD2 4.27Å; F971-F1052 HydrophobicContact CB-CE1 3.8Å; F971-F1052 HydrophobicContact CB-CE2 4.36Å; F971-F1052 HydrophobicContact CB-CG 3.93Å; F971-F1052 HydrophobicContact CB-CZ 4.15Å; F971-F1052 HydrophobicContact CD2-CB 3.98Å; F971-F1052 HydrophobicContact CD2-CD1 4.2Å; F971-F1052 HydrophobicContact CD2-CG 4.12Å; F971-F1052 HydrophobicContact CG-CD1 4.37Å; F971-F1053 HydrophobicContact CB-CE2 4.5Å; F971-F1053 HydrophobicContact CD2-CE2 4.1Å; F971-F1053 HydrophobicContact CE2-CE2 4.47Å; F971-F1053 HydrophobicContact CG-CE2 4.17Å |
| 972 | Y | 91.4 | Very high | 89.8 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -25.3 | 172.1 | -173.9 | -115.5 | 0 | 0 | 0 | 113.5 | P968 M970 F974 F975 C976 Q981 V983 F1052 L1075 | P968-Y972 WeakPolarHBondContact O-CB 3.38Å; P968-Y972 PolarHBondContact O-N 3.11Å; M970-Y972 VanDerWaalsContact C-N 3.31Å; M970-Y972 PolarHBondContact O-N 3.21Å; Y972-F974 PolarHBondContact O-N 2.88Å; Y972-F975 HydrophobicContact CD2-CB 4.3Å; Y972-F975 HydrophobicContact CE2-CB 4.42Å; Y972-F975 PolarHBondContact O-N 3.12Å; Y972-C976 HydrophobicContact CD1-CB 4.07Å; Y972-C976 HydrophobicContact CE1-CB 3.58Å; Y972-C976 PolarHBondContact O-N 3.05Å; Y972-C976 PolarHBondContact O-SG 3.49Å; Y972-Q981 HydrophobicContact CE1-CB 4.2Å; Y972-Q981 HydrophobicContact CE1-CG 4.05Å; Y972-V983 HydrophobicContact CD1-CG2 3.44Å; Y972-V983 VanDerWaalsContact CD1-CG2 3.44Å; Y972-V983 HydrophobicContact CD2-CG2 4.01Å; Y972-V983 HydrophobicContact CE1-CG2 4.28Å; Y972-V983 HydrophobicContact CG-CG2 3.28Å; Y972-F1052 HydrophobicContact CD2-CE2 4.45Å; Y972-L1075 HydrophobicContact CE1-CD1 4.12Å; Y972-L1075 HydrophobicContact CE2-CD1 3.88Å; Y972-L1075 WeakPolarHBondContact OH-CD1 3.43Å |
| 973 | G | 89.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M970 F971 F975 A977 Y978 | M970-G973 PolarHBondContact O-N 3.46Å; F971-G973 PolarHBondContact O-N 2.86Å; G973-F975 VanDerWaalsContact C-N 3.26Å; G973-F975 PolarHBondContact O-N 3.33Å; G973-A977 PolarHBondContact O-N 2.74Å; G973-Y978 WeakPolarHBondContact O-CD2 3.26Å; G973-Y978 WeakPolarHBondContact O-CE2 3.45Å; G973-Y978 PolarHBondContact O-N 3.22Å |
| 974 | F | 88.8 | Confident | 89.4 | Confident | 123 Ų | 123 | 30.1 Ų | 30.1 | 54% | 0.539 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.9 | 175.4 | -59.5 | -55.1 | 0 | 0 | 0 | 113.5 | F971 Y972 Y978 | F971-F974 HydrophobicContact CD1-CE2 4.1Å; F971-F974 WeakPolarHBondContact O-CB 3.36Å; F971-F974 VanDerWaalsContact O-CD2 3.22Å; F971-F974 WeakPolarHBondContact O-CD2 3.36Å; F971-F974 PolarHBondContact O-N 2.99Å; Y972-F974 PolarHBondContact O-N 2.88Å; F974-Y978 HydrophobicContact CD1-CE2 4.23Å; F974-Y978 WeakPolarHBondContact CD1-OH 3.41Å; F974-Y978 WeakPolarHBondContact CE1-OH 3.26Å |
| 975 | F | 87.4 | Confident | 88.8 | Confident | 89 Ų | 89 | 30.5 Ų | 30.5 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -26.3 | -175.3 | -60.7 | -88.5 | 0 | 0 | 0 | 113 | F971 Y972 G973 F1052 F1053 Y1056 | F971-F975 WeakPolarHBondContact O-CD2 3.37Å; Y972-F975 HydrophobicContact CD2-CB 4.3Å; Y972-F975 HydrophobicContact CE2-CB 4.42Å; Y972-F975 PolarHBondContact O-N 3.12Å; G973-F975 VanDerWaalsContact C-N 3.26Å; G973-F975 PolarHBondContact O-N 3.33Å; F975-F1052 HydrophobicContact CD2-CE1 4.12Å; F975-F1052 AromaticContact CD2-CZ 3.83Å; F975-F1052 HydrophobicContact CD2-CZ 3.83Å; F975-F1052 AromaticContact CE2-CE1 3.57Å; F975-F1052 HydrophobicContact CE2-CE1 3.57Å; F975-F1052 AromaticContact CE2-CZ 3.79Å; F975-F1052 HydrophobicContact CE2-CZ 3.79Å; F975-F1052 HydrophobicContact CZ-CE1 4.37Å; F975-F1053 HydrophobicContact CE2-CE1 4.28Å; F975-F1053 HydrophobicContact CZ-CE1 4.17Å; F975-Y1056 AromaticContact CD1-CE2 3.79Å; F975-Y1056 HydrophobicContact CD1-CE2 3.79Å; F975-Y1056 AromaticContact CD1-CZ 3.98Å; F975-Y1056 HydrophobicContact CE1-CD2 4.3Å; F975-Y1056 AromaticContact CE1-CE1 4Å; F975-Y1056 HydrophobicContact CE1-CE1 4Å; F975-Y1056 AromaticContact CE1-CE2 3.59Å; F975-Y1056 HydrophobicContact CE1-CE2 3.59Å; F975-Y1056 AromaticContact CE1-CZ 3.41Å; F975-Y1056 VanDerWaalsContact CE1-CZ 3.41Å; F975-Y1056 WeakPolarHBondContact CE1-OH 3.47Å; F975-Y1056 HydrophobicContact CZ-CD2 4.49Å; F975-Y1056 HydrophobicContact CZ-CE1 4.34Å; F975-Y1056 HydrophobicContact CZ-CE2 4.2Å |
| 976 | C | 86.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 12% | 0.122 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.1 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | Y972 Y978 S979 | Y972-C976 HydrophobicContact CD1-CB 4.07Å; Y972-C976 HydrophobicContact CE1-CB 3.58Å; Y972-C976 PolarHBondContact O-N 3.05Å; Y972-C976 PolarHBondContact O-SG 3.49Å; C976-Y978 PolarHBondContact O-N 2.89Å; C976-S979 WeakPolarHBondContact CB-OG 3.39Å; C976-S979 VanDerWaalsContact O-CB 3.26Å; C976-S979 WeakPolarHBondContact O-CB 3.43Å; C976-S979 PolarHBondContact O-N 3.41Å; C976-S979 VanDerWaalsContact O-N 3.08Å; C976-S979 PolarHBondContact O-OG 3.42Å |
| 977 | A | 86.1 | Confident | 87.7 | Confident | 39 Ų | 39 | 34 Ų | 34 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 37.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G973 S979 | G973-A977 PolarHBondContact O-N 2.74Å; A977-S979 PolarHBondContact O-N 3.48Å |
| 978 | Y | 87.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.5 | -177.9 | -67.2 | -88.3 | 0 | 0 | 0 | 115.7 | L319 L323 F348 G973 F974 C976 Q980 | L319-Y978 HydrophobicContact CB-CD2 3.5Å; L319-Y978 VanDerWaalsContact CB-CD2 3.5Å; L319-Y978 HydrophobicContact CB-CE2 3.46Å; L319-Y978 VanDerWaalsContact CB-CE2 3.46Å; L319-Y978 HydrophobicContact CB-CG 4.09Å; L319-Y978 HydrophobicContact CD1-CD2 4.46Å; L319-Y978 HydrophobicContact CD1-CE1 4.32Å; L319-Y978 HydrophobicContact CD1-CE2 3.57Å; L319-Y978 VanDerWaalsContact CD1-CZ 3.48Å; L319-Y978 VanDerWaalsContact CD1-OH 3.29Å; L319-Y978 WeakPolarHBondContact CD1-OH 3.45Å; L319-Y978 HydrophobicContact CG-CE2 4.11Å; L323-Y978 HydrophobicContact CD1-CD2 4.2Å; L323-Y978 HydrophobicContact CD1-CE2 4.25Å; F348-Y978 HydrophobicContact CE1-CD1 4.36Å; F348-Y978 VanDerWaalsContact CZ-O 3.23Å; F348-Y978 WeakPolarHBondContact CZ-O 3.43Å; G973-Y978 WeakPolarHBondContact O-CD2 3.26Å; G973-Y978 WeakPolarHBondContact O-CE2 3.45Å; G973-Y978 PolarHBondContact O-N 3.22Å; F974-Y978 HydrophobicContact CD1-CE2 4.23Å; F974-Y978 WeakPolarHBondContact CD1-OH 3.41Å; F974-Y978 WeakPolarHBondContact CE1-OH 3.26Å; C976-Y978 PolarHBondContact O-N 2.89Å; Y978-Q980 PolarHBondContact O-N 3.37Å |
| 979 | S | 85.5 | Confident | 86.7 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 56% | 0.559 | 17% | 0.174 | S | C | * | . | trans | -65.8 | 14 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 116.4 | C976 A977 Q981 | C976-S979 WeakPolarHBondContact CB-OG 3.39Å; C976-S979 VanDerWaalsContact O-CB 3.26Å; C976-S979 WeakPolarHBondContact O-CB 3.43Å; C976-S979 PolarHBondContact O-N 3.41Å; C976-S979 VanDerWaalsContact O-N 3.08Å; C976-S979 PolarHBondContact O-OG 3.42Å; A977-S979 PolarHBondContact O-N 3.48Å; S979-Q981 PolarHBondContact O-N 3.33Å | ||
| 980 | Q | 85 | Confident | 86.2 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | 61.5 | 3 | -179.8 | -43.2 | -162.2 | -18.1 | 0 | 0 | 116.3 | E344 F348 Y978 S982 | E344-Q980 VanDerWaalsContact CA-NE2 3.32Å; E344-Q980 PolarHBondContact O-NE2 3.36Å; F348-Q980 HydrophobicContact CD1-CG 4.22Å; F348-Q980 HydrophobicContact CE1-CG 3.78Å; F348-Q980 HydrophobicContact CE2-CG 4.28Å; F348-Q980 HydrophobicContact CZ-CG 3.81Å; Y978-Q980 PolarHBondContact O-N 3.37Å; Q980-S982 PolarHBondContact O-N 3.46Å | ||
| 981 | Q | 87.1 | Confident | 85.7 | Confident | 93 Ų | 93 | 34.9 Ų | 34.9 | 44% | 0.435 | 18% | 0.181 | S | C | . | . | trans | -58 | 122.9 | 178 | 179.6 | 57.2 | 45.7 | 0 | 0 | 111.4 | Y972 S979 L1075 | Y972-Q981 HydrophobicContact CE1-CB 4.2Å; Y972-Q981 HydrophobicContact CE1-CG 4.05Å; S979-Q981 PolarHBondContact O-N 3.33Å; Q981-L1075 HydrophobicContact CG-CD2 3.71Å | ||
| 982 | S | 87.9 | Confident | 85.3 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | trans | -70.5 | 137.2 | 174.7 | -174.5 | 0 | 0 | 0 | 0 | 111 | Q969 Q980 Y984 | Q969-S982 PolarHBondContact NE2-OG 2.95Å; Q969-S982 PolarHBondContact OE1-OG 3.29Å; Q980-S982 PolarHBondContact O-N 3.46Å; S982-Y984 PolarHBondContact OG-N 3.45Å; S982-Y984 PolarHBondContact OG-O 3.4Å | ||
| 983 | V | 89.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -71.9 | -42.4 | 169 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | Y972 F1078 I1082 | Y972-V983 HydrophobicContact CD1-CG2 3.44Å; Y972-V983 VanDerWaalsContact CD1-CG2 3.44Å; Y972-V983 HydrophobicContact CD2-CG2 4.01Å; Y972-V983 HydrophobicContact CE1-CG2 4.28Å; Y972-V983 HydrophobicContact CG-CG2 3.28Å; V983-F1078 HydrophobicContact CG1-CD1 4.45Å; V983-I1082 HydrophobicContact CG1-CD1 4.4Å |
| 984 | Y | 87.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -88.7 | 134 | -176.4 | -52.4 | -60.4 | 0 | 0 | 0 | 111.5 | F965 P968 S982 L989 I1082 I1083 I1086 | F965-Y984 HydrophobicContact CD2-CE2 4.1Å; F965-Y984 AromaticContact CE2-CD2 3.92Å; F965-Y984 HydrophobicContact CE2-CD2 3.92Å; F965-Y984 AromaticContact CE2-CE2 3.85Å; F965-Y984 HydrophobicContact CE2-CE2 3.85Å; F965-Y984 HydrophobicContact CE2-CG 4.36Å; F965-Y984 AromaticContact CZ-CD2 3.96Å; F965-Y984 HydrophobicContact CZ-CD2 3.96Å; F965-Y984 HydrophobicContact CZ-CE2 4.22Å; F965-Y984 VanDerWaalsContact O-CE2 3.28Å; F965-Y984 WeakPolarHBondContact O-CE2 3.47Å; F965-Y984 PolarHBondContact O-OH 2.96Å; P968-Y984 WeakPolarHBondContact CB-OH 3.29Å; S982-Y984 PolarHBondContact OG-N 3.45Å; S982-Y984 PolarHBondContact OG-O 3.4Å; Y984-L989 HydrophobicContact CD2-CD2 4.04Å; Y984-L989 HydrophobicContact CG-CD2 4.46Å; Y984-I1082 HydrophobicContact CE1-CB 4.46Å; Y984-I1082 HydrophobicContact CE1-CG2 3.96Å; Y984-I1083 HydrophobicContact CD1-CB 3.92Å; Y984-I1083 HydrophobicContact CD1-CD1 4.31Å; Y984-I1083 HydrophobicContact CD1-CG1 4.4Å; Y984-I1083 HydrophobicContact CE1-CB 3.81Å; Y984-I1083 HydrophobicContact CE1-CG1 4.32Å; Y984-I1086 WeakPolarHBondContact OH-CD1 3.3Å |
| 985 | P | 82.7 | Confident | 83.7 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | trans | -50.1 | 138.9 | 161.8 | -31.4 | 37.7 | 0 | 0 | 0 | 112.4 | L987 Y988 L1136 | P985-L987 PolarHBondContact O-N 3.41Å; P985-L987 VanDerWaalsContact O-N 3.11Å; P985-Y988 HydrophobicContact CB-CD2 4.15Å; P985-Y988 HydrophobicContact CG-CD2 4.22Å; P985-Y988 HydrophobicContact CG-CE2 4.46Å; P985-Y988 PolarHBondContact O-N 2.88Å; P985-L1136 HydrophobicContact CB-CD1 4.47Å; P985-L1136 HydrophobicContact CB-CD2 3.86Å; P985-L1136 HydrophobicContact CB-CG 4.15Å; P985-L1136 HydrophobicContact CG-CD2 3.69Å; P985-L1136 HydrophobicContact CG-CG 4.45Å | ||
| 986 | Q | 79.3 | Confident | 83.4 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 23% | 0.229 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.6 | -36 | -172.4 | -69.6 | 179.1 | -5.8 | 0 | 0 | 113.8 | P91 Y988 L989 L1132 | P91-Q986 PolarHBondContact O-NE2 3.45Å; Q986-Y988 VanDerWaalsContact C-N 3.26Å; Q986-Y988 PolarHBondContact O-N 2.92Å; Q986-L989 WeakPolarHBondContact O-CB 3.24Å; Q986-L989 PolarHBondContact O-N 3.47Å; Q986-L1132 HydrophobicContact CB-CD2 4.32Å; Q986-L1132 HydrophobicContact CB-CG 4.14Å |
| 987 | L | 81 | Confident | 83.2 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 15% | 0.152 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 178.3 | -176.8 | 61 | 0 | 0 | 0 | 112.2 | P985 I990 L991 C1123 L1136 | P985-L987 PolarHBondContact O-N 3.41Å; P985-L987 VanDerWaalsContact O-N 3.11Å; L987-I990 PolarHBondContact O-N 2.89Å; L987-L991 HydrophobicContact CD1-CD1 4.14Å; L987-L991 HydrophobicContact CD1-CG 4.28Å; L987-L991 HydrophobicContact CD2-CD1 4.26Å; L987-L991 HydrophobicContact CG-CD1 3.77Å; L987-L991 HydrophobicContact CG-CG 4.3Å; L987-L991 WeakPolarHBondContact O-CG 3.47Å; L987-L991 PolarHBondContact O-N 2.77Å; L987-C1123 HydrophobicContact CD2-CB 4.33Å; L987-L1136 HydrophobicContact CB-CD1 4.22Å; L987-L1136 HydrophobicContact CD2-CD1 3.82Å |
| 988 | Y | 83.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.6 | -31 | 179.5 | -71.6 | -39.9 | 0 | 0 | 0 | 113.8 | P985 Q986 I990 L991 F992 M996 N1080 I1083 F1120 C1123 N1124 L1136 | P985-Y988 HydrophobicContact CB-CD2 4.15Å; P985-Y988 HydrophobicContact CG-CD2 4.22Å; P985-Y988 HydrophobicContact CG-CE2 4.46Å; P985-Y988 PolarHBondContact O-N 2.88Å; Q986-Y988 VanDerWaalsContact C-N 3.26Å; Q986-Y988 PolarHBondContact O-N 2.92Å; Y988-I990 PolarHBondContact O-N 3.39Å; Y988-L991 HydrophobicContact CD1-CD1 4.45Å; Y988-L991 PolarHBondContact O-N 3.05Å; Y988-F992 VanDerWaalsContact O-CB 3.26Å; Y988-F992 WeakPolarHBondContact O-CB 3.34Å; Y988-F992 PolarHBondContact O-N 3.2Å; Y988-M996 HydrophobicContact CD1-CE 3.92Å; Y988-M996 HydrophobicContact CE1-CE 3.93Å; Y988-N1080 VanDerWaalsContact CE2-OD1 3.24Å; Y988-N1080 WeakPolarHBondContact CE2-OD1 3.17Å; Y988-N1080 PolarHBondContact OH-OD1 3Å; Y988-I1083 VanDerWaalsContact CB-CD1 3.46Å; Y988-I1083 HydrophobicContact CD1-CD1 4.31Å; Y988-I1083 HydrophobicContact CD2-CD1 4.16Å; Y988-I1083 HydrophobicContact CD2-CG2 4.03Å; Y988-I1083 HydrophobicContact CE2-CG2 4.05Å; Y988-I1083 HydrophobicContact CG-CD1 3.76Å; Y988-F1120 AromaticContact CE1-CD2 3.9Å; Y988-F1120 HydrophobicContact CE1-CD2 3.9Å; Y988-F1120 HydrophobicContact CE1-CE2 4.14Å; Y988-F1120 HydrophobicContact CE2-CE2 4.4Å; Y988-F1120 AromaticContact CZ-CD2 3.89Å; Y988-F1120 AromaticContact CZ-CE2 3.69Å; Y988-F1120 WeakPolarHBondContact OH-CD2 3.48Å; Y988-F1120 WeakPolarHBondContact OH-CE2 3.43Å; Y988-C1123 HydrophobicContact CE1-CB 4.24Å; Y988-N1124 PolarHBondContact OH-ND2 3.03Å; Y988-N1124 PolarHBondContact OH-OD1 3.41Å; Y988-N1124 VanDerWaalsContact OH-OD1 3.1Å; Y988-L1136 HydrophobicContact CD2-CD2 4.39Å; Y988-L1136 HydrophobicContact CE2-CD1 4.32Å; Y988-L1136 HydrophobicContact CE2-CD2 3.62Å |
| 989 | L | 81 | Confident | 82.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.3 | -33.5 | 172.9 | -59.5 | 177.9 | 0 | 0 | 0 | 111.6 | V92 Y354 F965 Y984 Q986 | V92-L989 HydrophobicContact CG1-CD1 4.34Å; V92-L989 HydrophobicContact CG2-CD1 4.15Å; Y354-L989 HydrophobicContact CE1-CB 4.22Å; Y354-L989 WeakPolarHBondContact CE1-O 3.23Å; Y354-L989 HydrophobicContact CE2-CB 4.26Å; Y354-L989 HydrophobicContact CE2-CD1 4.23Å; Y354-L989 HydrophobicContact CE2-CD2 4.27Å; F965-L989 HydrophobicContact CE1-CD2 4.04Å; F965-L989 HydrophobicContact CZ-CD2 3.78Å; Y984-L989 HydrophobicContact CD2-CD2 4.04Å; Y984-L989 HydrophobicContact CG-CD2 4.46Å; Q986-L989 WeakPolarHBondContact O-CB 3.24Å; Q986-L989 PolarHBondContact O-N 3.47Å |
| 990 | I | 79.8 | Confident | 82.7 | Confident | 41 Ų | 41 | 25.7 Ų | 25.7 | 21% | 0.21 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -79.6 | -53.5 | 174.1 | -56.8 | 169.3 | 0 | 0 | 0 | 110.8 | T96 L987 Y988 F992 L994 L1132 | T96-I990 HydrophobicContact CG2-CD1 4.03Å; T96-I990 HydrophobicContact CG2-CG1 3.96Å; L987-I990 PolarHBondContact O-N 2.89Å; Y988-I990 PolarHBondContact O-N 3.39Å; I990-F992 VanDerWaalsContact C-N 3.34Å; I990-F992 PolarHBondContact O-N 2.95Å; I990-L994 WeakPolarHBondContact O-CB 3.33Å; I990-L994 PolarHBondContact O-N 3.36Å; I990-L1132 HydrophobicContact CD1-CD2 3.87Å |
| 991 | L | 81.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 24.5 Ų | 24.5 | 12% | 0.115 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.9 | -34.2 | -170.8 | -70.1 | 177.2 | 0 | 0 | 0 | 113.7 | L987 Y988 N993 L994 I995 M996 I1119 C1123 | L987-L991 HydrophobicContact CD1-CD1 4.14Å; L987-L991 HydrophobicContact CD1-CG 4.28Å; L987-L991 HydrophobicContact CD2-CD1 4.26Å; L987-L991 HydrophobicContact CG-CD1 3.77Å; L987-L991 HydrophobicContact CG-CG 4.3Å; L987-L991 WeakPolarHBondContact O-CG 3.47Å; L987-L991 PolarHBondContact O-N 2.77Å; Y988-L991 HydrophobicContact CD1-CD1 4.45Å; Y988-L991 PolarHBondContact O-N 3.05Å; L991-N993 PolarHBondContact O-N 2.88Å; L991-L994 PolarHBondContact O-N 3.28Å; L991-I995 HydrophobicContact CD2-CD1 3.95Å; L991-I995 PolarHBondContact O-N 3.27Å; L991-M996 HydrophobicContact CB-CE 4.2Å; L991-M996 HydrophobicContact CB-CG 4.42Å; L991-M996 HydrophobicContact CB-SD 4.25Å; L991-M996 HydrophobicContact CD1-CE 4.36Å; L991-M996 PolarHBondContact O-N 3.46Å; L991-I1119 HydrophobicContact CD1-CG2 3.95Å; L991-C1123 VanDerWaalsContact CD1-SG 3.56Å |
| 992 | F | 84.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -56.8 | -48.2 | -176.4 | -178.8 | -98 | 0 | 0 | 0 | 112.2 | K961 F965 Y988 I990 T997 I1083 I1086 | K961-F992 WeakPolarHBondContact O-CE1 3.35Å; K961-F992 WeakPolarHBondContact O-CZ 3.46Å; F965-F992 HydrophobicContact CB-CD1 4.07Å; F965-F992 HydrophobicContact CB-CE1 3.5Å; F965-F992 VanDerWaalsContact CB-CE1 3.5Å; F965-F992 HydrophobicContact CB-CZ 3.79Å; F965-F992 AromaticContact CD1-CD1 3.96Å; F965-F992 HydrophobicContact CD1-CD1 3.96Å; F965-F992 HydrophobicContact CD1-CE1 4.24Å; F965-F992 HydrophobicContact CD2-CB 4.34Å; F965-F992 AromaticContact CD2-CD1 3.62Å; F965-F992 HydrophobicContact CD2-CD1 3.62Å; F965-F992 AromaticContact CD2-CD2 3.79Å; F965-F992 HydrophobicContact CD2-CD2 3.79Å; F965-F992 AromaticContact CD2-CE1 3.78Å; F965-F992 HydrophobicContact CD2-CE1 3.78Å; F965-F992 AromaticContact CD2-CE2 3.93Å; F965-F992 HydrophobicContact CD2-CE2 3.93Å; F965-F992 AromaticContact CD2-CG 3.63Å; F965-F992 HydrophobicContact CD2-CG 3.63Å; F965-F992 AromaticContact CD2-CZ 3.92Å; F965-F992 HydrophobicContact CD2-CZ 3.92Å; F965-F992 HydrophobicContact CE1-CD1 4.27Å; F965-F992 HydrophobicContact CE2-CB 3.85Å; F965-F992 AromaticContact CE2-CD1 3.97Å; F965-F992 HydrophobicContact CE2-CD1 3.97Å; F965-F992 AromaticContact CE2-CD2 3.98Å; F965-F992 HydrophobicContact CE2-CD2 3.98Å; F965-F992 AromaticContact CE2-CG 3.65Å; F965-F992 HydrophobicContact CE2-CG 3.65Å; F965-F992 AromaticContact CG-CD1 3.61Å; F965-F992 HydrophobicContact CG-CD1 3.61Å; F965-F992 AromaticContact CG-CE1 3.58Å; F965-F992 HydrophobicContact CG-CE1 3.58Å; F965-F992 HydrophobicContact CG-CG 4.12Å; F965-F992 HydrophobicContact CG-CZ 4.05Å; F965-F992 HydrophobicContact CZ-CB 3.99Å; F965-F992 HydrophobicContact CZ-CD1 4.26Å; F965-F992 HydrophobicContact CZ-CG 4.13Å; Y988-F992 VanDerWaalsContact O-CB 3.26Å; Y988-F992 WeakPolarHBondContact O-CB 3.34Å; Y988-F992 PolarHBondContact O-N 3.2Å; I990-F992 VanDerWaalsContact C-N 3.34Å; I990-F992 PolarHBondContact O-N 2.95Å; F992-T997 HydrophobicContact CD2-CG2 3.95Å; F992-T997 HydrophobicContact CE1-CG2 4.16Å; F992-T997 HydrophobicContact CE2-CG2 3.52Å; F992-T997 HydrophobicContact CG-CG2 4.44Å; F992-T997 HydrophobicContact CZ-CG2 3.65Å; F992-T997 PolarHBondContact O-N 2.98Å; F992-T997 PolarHBondContact O-OG1 2.91Å; F992-I1083 HydrophobicContact CD2-CD1 4.49Å; F992-I1086 HydrophobicContact CE2-CG2 3.95Å; F992-I1086 HydrophobicContact CZ-CG2 4.15Å |
| 993 | N | 78.4 | Confident | 82.8 | Confident | 12 Ų | 12 | 21.2 Ų | 21.2 | 6% | 0.064 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -88.8 | -21.9 | -175.5 | -96.3 | -27.6 | 0 | 0 | 0 | 114.4 | S359 K961 N962 L991 | S359-N993 PolarHBondContact OG-O 2.88Å; S359-N993 VanDerWaalsContact OG-O 3.11Å; K961-N993 PolarHBondContact NZ-OD1 2.94Å; N962-N993 PolarHBondContact OD1-ND2 3.11Å; N962-N993 PolarHBondContact OD1-OD1 3.44Å; N962-N993 VanDerWaalsContact OD1-OD1 3.1Å; L991-N993 PolarHBondContact O-N 2.88Å |
| 994 | L | 77 | Confident | 82.7 | Confident | 80 Ų | 80 | 21.5 Ų | 21.5 | 42% | 0.419 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -87.9 | -44.2 | -179.1 | -174.6 | 67.4 | 0 | 0 | 0 | 113 | I990 L991 S998 | I990-L994 WeakPolarHBondContact O-CB 3.33Å; I990-L994 PolarHBondContact O-N 3.36Å; L991-L994 PolarHBondContact O-N 3.28Å; L994-S998 VanDerWaalsContact C-OG 3.31Å; L994-S998 PolarHBondContact O-OG 3.11Å |
| 995 | I | 79.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 21.3 Ų | 21.3 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -125.4 | -50.3 | -169.9 | -46.5 | -177.5 | 0 | 0 | 0 | 112.1 | L991 T997 S998 N1116 I1119 | L991-I995 HydrophobicContact CD2-CD1 3.95Å; L991-I995 PolarHBondContact O-N 3.27Å; I995-T997 VanDerWaalsContact C-N 3.29Å; I995-T997 PolarHBondContact O-N 2.9Å; I995-T997 VanDerWaalsContact O-N 3.17Å; I995-S998 PolarHBondContact O-OG 3.46Å; I995-N1116 PolarHBondContact O-OD1 3.39Å; I995-I1119 HydrophobicContact CD1-CD1 4.45Å; I995-I1119 HydrophobicContact CG2-CD1 3.71Å |
| 996 | M | 81 | Confident | 83 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -64.7 | -27.3 | -167.3 | -65.6 | 178.6 | 162.4 | 0 | 0 | 115 | Y988 L991 F1087 N1116 I1119 F1120 | Y988-M996 HydrophobicContact CD1-CE 3.92Å; Y988-M996 HydrophobicContact CE1-CE 3.93Å; L991-M996 HydrophobicContact CB-CE 4.2Å; L991-M996 HydrophobicContact CB-CG 4.42Å; L991-M996 HydrophobicContact CB-SD 4.25Å; L991-M996 HydrophobicContact CD1-CE 4.36Å; L991-M996 PolarHBondContact O-N 3.46Å; M996-F1087 HydrophobicContact CB-CD2 4.12Å; M996-F1087 HydrophobicContact CB-CE2 4.39Å; M996-N1116 WeakPolarHBondContact CA-OD1 3.2Å; M996-N1116 PolarHBondContact O-ND2 3.41Å; M996-I1119 HydrophobicContact CE-CG2 4.31Å; M996-F1120 HydrophobicContact CE-CB 4.44Å; M996-F1120 HydrophobicContact CE-CD2 4.28Å |
| 997 | T | 84 | Confident | 83.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -6.8 | -175.3 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | K961 F992 I995 I1001 V1090 | K961-T997 PolarHBondContact NZ-OG1 3.24Å; F992-T997 HydrophobicContact CD2-CG2 3.95Å; F992-T997 HydrophobicContact CE1-CG2 4.16Å; F992-T997 HydrophobicContact CE2-CG2 3.52Å; F992-T997 HydrophobicContact CG-CG2 4.44Å; F992-T997 HydrophobicContact CZ-CG2 3.65Å; F992-T997 PolarHBondContact O-N 2.98Å; F992-T997 PolarHBondContact O-OG1 2.91Å; I995-T997 VanDerWaalsContact C-N 3.29Å; I995-T997 PolarHBondContact O-N 2.9Å; I995-T997 VanDerWaalsContact O-N 3.17Å; T997-I1001 VanDerWaalsContact O-CG2 3.31Å; T997-I1001 WeakPolarHBondContact O-CG2 3.37Å; T997-V1090 HydrophobicContact CG2-CG1 3.8Å |
| 998 | S | 82.6 | Confident | 83.8 | Confident | 18 Ų | 18 | 21.8 Ų | 21.8 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -83.3 | -44.2 | -173.3 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | L994 I995 I1001 L1002 | L994-S998 VanDerWaalsContact C-OG 3.31Å; L994-S998 PolarHBondContact O-OG 3.11Å; I995-S998 PolarHBondContact O-OG 3.46Å; S998-I1001 VanDerWaalsContact O-CG2 3.28Å; S998-I1001 WeakPolarHBondContact O-CG2 3.41Å; S998-L1002 VanDerWaalsContact O-CB 3.3Å; S998-L1002 WeakPolarHBondContact O-CB 3.31Å; S998-L1002 PolarHBondContact O-N 3.33Å |
| 999 | L | 81.7 | Confident | 83.9 | Confident | 70 Ų | 70 | 23.6 Ų | 23.6 | 37% | 0.366 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.5 | -45.3 | -175.5 | -172.8 | 63.1 | 0 | 0 | 0 | 113.2 | I1001 L1002 L1003 A1112 | L999-I1001 PolarHBondContact O-N 3.5Å; L999-L1002 PolarHBondContact O-N 3.4Å; L999-L1003 HydrophobicContact CG-CD1 4.18Å; L999-L1003 VanDerWaalsContact O-CG 3.26Å; L999-L1003 WeakPolarHBondContact O-CG 3.33Å; L999-L1003 PolarHBondContact O-N 2.81Å; L999-A1112 HydrophobicContact CD2-CB 3.64Å; L999-A1112 HydrophobicContact CG-CB 4.06Å |
| 1000 | P | 84.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 179.2 | -22.9 | 34.6 | 0 | 0 | 0 | 113.4 | L1003 Y1004 N1091 V1094 | P1000-L1003 PolarHBondContact O-N 3.43Å; P1000-Y1004 PolarHBondContact O-N 2.89Å; P1000-N1091 VanDerWaalsContact CG-OD1 3.31Å; P1000-N1091 WeakPolarHBondContact CG-OD1 3.35Å; P1000-V1094 HydrophobicContact CB-CG2 4.49Å |
| 1001 | I | 87.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.8 | -31.5 | 178.8 | -170.5 | 64.2 | 0 | 0 | 0 | 112.5 | L954 Y957 F958 T997 S998 L999 Y1004 G1005 | L954-I1001 HydrophobicContact CD1-CG1 3.93Å; L954-I1001 HydrophobicContact CG-CG1 3.93Å; Y957-I1001 HydrophobicContact CD1-CB 3.89Å; Y957-I1001 HydrophobicContact CD1-CD1 3.46Å; Y957-I1001 VanDerWaalsContact CD1-CD1 3.46Å; Y957-I1001 HydrophobicContact CD1-CG1 3.42Å; Y957-I1001 VanDerWaalsContact CD1-CG1 3.42Å; Y957-I1001 HydrophobicContact CD1-CG2 4.4Å; Y957-I1001 HydrophobicContact CD2-CD1 4.24Å; Y957-I1001 HydrophobicContact CE1-CB 3.61Å; Y957-I1001 HydrophobicContact CE1-CD1 3.89Å; Y957-I1001 HydrophobicContact CE1-CG1 3.72Å; Y957-I1001 HydrophobicContact CE1-CG2 4.07Å; Y957-I1001 HydrophobicContact CG-CD1 3.62Å; Y957-I1001 HydrophobicContact CG-CG1 4.12Å; F958-I1001 HydrophobicContact CD2-CG1 4.36Å; F958-I1001 HydrophobicContact CD2-CG2 4.41Å; F958-I1001 HydrophobicContact CE2-CG1 4.1Å; F958-I1001 HydrophobicContact CE2-CG2 3.55Å; F958-I1001 HydrophobicContact CZ-CG2 3.93Å; T997-I1001 VanDerWaalsContact O-CG2 3.31Å; T997-I1001 WeakPolarHBondContact O-CG2 3.37Å; S998-I1001 VanDerWaalsContact O-CG2 3.28Å; S998-I1001 WeakPolarHBondContact O-CG2 3.41Å; L999-I1001 PolarHBondContact O-N 3.5Å; I1001-Y1004 HydrophobicContact CD1-CD1 3.9Å; I1001-Y1004 HydrophobicContact CD1-CG 4.35Å; I1001-Y1004 PolarHBondContact O-N 2.98Å; I1001-G1005 PolarHBondContact O-N 2.98Å |
| 1002 | L | 87.2 | Confident | 84.4 | Confident | 19 Ų | 19 | 24.8 Ų | 24.8 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 171 | 175.7 | 65.1 | 0 | 0 | 0 | 110.9 | T363 M366 S998 L999 G1005 I1006 | T363-L1002 HydrophobicContact CG2-CB 4.1Å; T363-L1002 HydrophobicContact CG2-CD1 3.95Å; M366-L1002 HydrophobicContact CB-CD1 4.45Å; M366-L1002 HydrophobicContact CE-CD2 3.87Å; M366-L1002 HydrophobicContact CG-CD1 4.18Å; M366-L1002 HydrophobicContact SD-CD1 4.14Å; M366-L1002 HydrophobicContact SD-CD2 3.68Å; S998-L1002 VanDerWaalsContact O-CB 3.3Å; S998-L1002 WeakPolarHBondContact O-CB 3.31Å; S998-L1002 PolarHBondContact O-N 3.33Å; L999-L1002 PolarHBondContact O-N 3.4Å; L1002-G1005 PolarHBondContact O-N 3.44Å; L1002-I1006 HydrophobicContact CD1-CD1 3.81Å; L1002-I1006 HydrophobicContact CD1-CG1 4.31Å; L1002-I1006 HydrophobicContact CG-CD1 3.81Å; L1002-I1006 WeakPolarHBondContact O-CD1 3.39Å; L1002-I1006 VanDerWaalsContact O-CG1 3.26Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.41Å; L1002-I1006 PolarHBondContact O-N 3.42Å |
| 1003 | L | 86 | Confident | 84.6 | Confident | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 177.4 | -67.1 | 164.3 | 0 | 0 | 0 | 111.8 | L999 P1000 I1006 F1007 I1108 | L999-L1003 HydrophobicContact CG-CD1 4.18Å; L999-L1003 VanDerWaalsContact O-CG 3.26Å; L999-L1003 WeakPolarHBondContact O-CG 3.33Å; L999-L1003 PolarHBondContact O-N 2.81Å; P1000-L1003 PolarHBondContact O-N 3.43Å; L1003-I1006 PolarHBondContact O-N 2.98Å; L1003-F1007 HydrophobicContact CD2-CD2 4.31Å; L1003-F1007 HydrophobicContact CD2-CE2 3.99Å; L1003-F1007 WeakPolarHBondContact O-CD2 3.47Å; L1003-F1007 PolarHBondContact O-N 3.28Å; L1003-I1108 HydrophobicContact CD1-CB 4.17Å; L1003-I1108 HydrophobicContact CD1-CG2 3.5Å; L1003-I1108 HydrophobicContact CD2-CB 4.42Å; L1003-I1108 HydrophobicContact CD2-CG2 3.72Å; L1003-I1108 HydrophobicContact CG-CG2 4.27Å |
| 1004 | Y | 87.6 | Confident | 85 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -52.8 | 170.4 | 175.7 | -92.8 | 0 | 0 | 0 | 111.2 | I953 P1000 I1001 I1006 F1007 E1008 I1097 S1098 | I953-Y1004 HydrophobicContact CB-CE1 4.01Å; I953-Y1004 VanDerWaalsContact CD1-OH 3.26Å; I953-Y1004 WeakPolarHBondContact CD1-OH 3.16Å; I953-Y1004 HydrophobicContact CG2-CE1 3.59Å; P1000-Y1004 PolarHBondContact O-N 2.89Å; I1001-Y1004 HydrophobicContact CD1-CD1 3.9Å; I1001-Y1004 HydrophobicContact CD1-CG 4.35Å; I1001-Y1004 PolarHBondContact O-N 2.98Å; Y1004-I1006 PolarHBondContact O-N 2.97Å; Y1004-I1006 VanDerWaalsContact O-N 3.13Å; Y1004-F1007 PolarHBondContact O-N 3.31Å; Y1004-E1008 HydrophobicContact CD2-CB 3.98Å; Y1004-E1008 HydrophobicContact CD2-CG 4.17Å; Y1004-E1008 HydrophobicContact CE1-CG 4.47Å; Y1004-E1008 HydrophobicContact CE2-CB 3.83Å; Y1004-E1008 VanDerWaalsContact CE2-CD 3.47Å; Y1004-E1008 HydrophobicContact CE2-CG 3.51Å; Y1004-E1008 WeakPolarHBondContact CE2-OE1 3.44Å; Y1004-E1008 HydrophobicContact CG-CB 4.39Å; Y1004-E1008 WeakPolarHBondContact O-CB 3.45Å; Y1004-E1008 PolarHBondContact O-N 3.5Å; Y1004-I1097 HydrophobicContact CE2-CG2 4.02Å; Y1004-S1098 WeakPolarHBondContact CD2-OG 3.34Å |
| 1005 | G | 86.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -23 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q367 R950 I1001 L1002 | Q367-G1005 WeakPolarHBondContact CG-O 3.34Å; Q367-G1005 PolarHBondContact NE2-O 2.88Å; R950-G1005 WeakPolarHBondContact CD-O 3.3Å; I1001-G1005 PolarHBondContact O-N 2.98Å; L1002-G1005 PolarHBondContact O-N 3.44Å |
| 1006 | I | 88.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88.7 | -49.7 | 178 | -69.1 | 165.3 | 0 | 0 | 0 | 111.7 | I370 F374 R950 L1002 L1003 Y1004 | I370-I1006 HydrophobicContact CD1-CD1 3.62Å; I370-I1006 HydrophobicContact CD1-CG1 4.31Å; I370-I1006 HydrophobicContact CG2-CD1 4.37Å; I370-I1006 HydrophobicContact CG2-CG1 4.19Å; I370-I1006 HydrophobicContact CG2-CG2 3.94Å; F374-I1006 HydrophobicContact CE2-CG2 3.52Å; F374-I1006 HydrophobicContact CZ-CG2 3.81Å; R950-I1006 VanDerWaalsContact CZ-O 3.26Å; R950-I1006 PolarHBondContact NH1-O 3.33Å; R950-I1006 VanDerWaalsContact NH1-O 3.15Å; R950-I1006 PolarHBondContact NH2-O 2.93Å; L1002-I1006 HydrophobicContact CD1-CD1 3.81Å; L1002-I1006 HydrophobicContact CD1-CG1 4.31Å; L1002-I1006 HydrophobicContact CG-CD1 3.81Å; L1002-I1006 WeakPolarHBondContact O-CD1 3.39Å; L1002-I1006 VanDerWaalsContact O-CG1 3.26Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.41Å; L1002-I1006 PolarHBondContact O-N 3.42Å; L1003-I1006 PolarHBondContact O-N 2.98Å; Y1004-I1006 PolarHBondContact O-N 2.97Å; Y1004-I1006 VanDerWaalsContact O-N 3.13Å |
| 1007 | F | 88 | Confident | 86.2 | Confident | 72 Ų | 72 | 29.3 Ų | 29.3 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -101.4 | -20.2 | -165.3 | -67.8 | -66.7 | 0 | 0 | 0 | 115.3 | F374 L1003 Y1004 I1009 V1105 | F374-F1007 HydrophobicContact CZ-CE1 4.04Å; L1003-F1007 HydrophobicContact CD2-CD2 4.31Å; L1003-F1007 HydrophobicContact CD2-CE2 3.99Å; L1003-F1007 WeakPolarHBondContact O-CD2 3.47Å; L1003-F1007 PolarHBondContact O-N 3.28Å; Y1004-F1007 PolarHBondContact O-N 3.31Å; F1007-I1009 PolarHBondContact O-N 3Å; F1007-V1105 HydrophobicContact CB-CG2 3.71Å; F1007-V1105 HydrophobicContact CD2-CG2 4.31Å; F1007-V1105 HydrophobicContact CG-CG2 4.05Å |
| 1008 | E | 88.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | trans | -58.2 | 136.9 | -172.4 | 174.3 | 70.3 | 153.8 | 0 | 0 | 112.7 | R950 Y1004 S1098 Y1099 Y1100 | R950-E1008 HydrophobicContact CG-CB 4.44Å; R950-E1008 PolarHBondContact NE-O 3.34Å; R950-E1008 PolarHBondContact NH2-O 3.17Å; Y1004-E1008 HydrophobicContact CD2-CB 3.98Å; Y1004-E1008 HydrophobicContact CD2-CG 4.17Å; Y1004-E1008 HydrophobicContact CE1-CG 4.47Å; Y1004-E1008 HydrophobicContact CE2-CB 3.83Å; Y1004-E1008 VanDerWaalsContact CE2-CD 3.47Å; Y1004-E1008 HydrophobicContact CE2-CG 3.51Å; Y1004-E1008 WeakPolarHBondContact CE2-OE1 3.44Å; Y1004-E1008 HydrophobicContact CG-CB 4.39Å; Y1004-E1008 WeakPolarHBondContact O-CB 3.45Å; Y1004-E1008 PolarHBondContact O-N 3.5Å; E1008-S1098 WeakPolarHBondContact OE1-CA 3.3Å; E1008-Y1099 PolarHBondContact OE1-N 3.09Å; E1008-Y1099 PolarHBondContact OE2-N 3.42Å; E1008-Y1100 WeakPolarHBondContact OE2-CB 3.22Å; E1008-Y1100 PolarHBondContact OE2-N 3.44Å | ||
| 1009 | I | 86.3 | Confident | 86.6 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | trans | -132.3 | 103.2 | 171.9 | -58.8 | 176.4 | 0 | 0 | 0 | 107.2 | F1007 I1011 Y1100 | F1007-I1009 PolarHBondContact O-N 3Å; I1009-I1011 WeakPolarHBondContact CG2-O 3.23Å; I1009-Y1100 HydrophobicContact CB-CD1 4.17Å; I1009-Y1100 HydrophobicContact CB-CD2 4.43Å; I1009-Y1100 HydrophobicContact CB-CG 4Å; I1009-Y1100 HydrophobicContact CD1-CD1 4.08Å; I1009-Y1100 HydrophobicContact CD1-CE1 3.88Å; I1009-Y1100 HydrophobicContact CG1-CD1 4.04Å; I1009-Y1100 HydrophobicContact CG1-CE1 4.35Å; I1009-Y1100 HydrophobicContact CG1-CG 4.39Å | ||
| 1010 | S | 81.6 | Confident | 87 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 12% | 0.119 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -68.7 | -42.8 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | Q949 | Q949-S1010 VanDerWaalsContact CD-CB 3.44Å; Q949-S1010 VanDerWaalsContact CD-OG 3.24Å; Q949-S1010 VanDerWaalsContact OE1-CB 3.26Å; Q949-S1010 PolarHBondContact OE1-OG 3.28Å |
| 1011 | I | 84.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -126.8 | 125.9 | -176.4 | -54 | -175.5 | 0 | 0 | 0 | 109 | I1009 I1015 L1016 L1022 W1178 | I1009-I1011 WeakPolarHBondContact CG2-O 3.23Å; I1011-I1015 HydrophobicContact CG2-CB 3.89Å; I1011-I1015 HydrophobicContact CG2-CG2 3.82Å; I1011-L1016 HydrophobicContact CB-CD1 4.33Å; I1011-L1016 HydrophobicContact CB-CD2 4.05Å; I1011-L1016 HydrophobicContact CB-CG 4.07Å; I1011-L1016 HydrophobicContact CD1-CD2 4.26Å; I1011-L1016 HydrophobicContact CG2-CD2 3.91Å; I1011-L1016 HydrophobicContact CG2-CG 3.82Å; I1011-L1022 HydrophobicContact CD1-CD1 4.37Å; I1011-W1178 HydrophobicContact CD1-CH2 3.89Å; I1011-W1178 HydrophobicContact CD1-CZ3 3.93Å |
| 1012 | P | 86.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 33.8 Ų | 33.8 | 40% | 0.403 | 18% | 0.178 | S | C | . | . | trans | -53.1 | 140 | 174.9 | -28.6 | 35.1 | 0 | 0 | 0 | 113.3 | S1014 I1015 L1016 | P1012-S1014 PolarHBondContact O-N 3Å; P1012-S1014 VanDerWaalsContact O-N 3.09Å; P1012-I1015 HydrophobicContact CB-CD1 4.45Å; P1012-I1015 HydrophobicContact CG-CD1 4.27Å; P1012-I1015 PolarHBondContact O-N 3.48Å; P1012-L1016 PolarHBondContact O-N 2.81Å | ||
| 1013 | K | 88.7 | Confident | 87.4 | Confident | 88 Ų | 88 | 33.1 Ų | 33.1 | 38% | 0.383 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -53.1 | -35 | -176.7 | -62.7 | -170.4 | 176.8 | -169.9 | 0 | 113.8 | I942 L1016 L1017 | I942-K1013 HydrophobicContact CD1-CB 3.98Å; I942-K1013 HydrophobicContact CD1-CD 4.41Å; I942-K1013 HydrophobicContact CD1-CG 4.33Å; I942-K1013 HydrophobicContact CG1-CB 4.38Å; I942-K1013 HydrophobicContact CG2-CD 4.04Å; I942-K1013 HydrophobicContact CG2-CG 3.87Å; K1013-L1016 PolarHBondContact O-N 3.33Å; K1013-L1017 WeakPolarHBondContact O-CG 3.46Å; K1013-L1017 PolarHBondContact O-N 3.04Å |
| 1014 | S | 86.9 | Confident | 87.5 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.5 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | P1012 L1016 L1017 E1018 | P1012-S1014 PolarHBondContact O-N 3Å; P1012-S1014 VanDerWaalsContact O-N 3.09Å; S1014-L1016 VanDerWaalsContact C-N 3.34Å; S1014-L1016 PolarHBondContact O-N 3.4Å; S1014-L1017 PolarHBondContact O-N 3.23Å; S1014-E1018 WeakPolarHBondContact O-CB 3.38Å; S1014-E1018 PolarHBondContact O-N 3.48Å |
| 1015 | I | 87 | Confident | 87.2 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -36.8 | -179 | -61.9 | 177.8 | 0 | 0 | 0 | 110.8 | I1011 P1012 L1017 E1018 F1019 L1022 | I1011-I1015 HydrophobicContact CG2-CB 3.89Å; I1011-I1015 HydrophobicContact CG2-CG2 3.82Å; P1012-I1015 HydrophobicContact CB-CD1 4.45Å; P1012-I1015 HydrophobicContact CG-CD1 4.27Å; P1012-I1015 PolarHBondContact O-N 3.48Å; I1015-L1017 VanDerWaalsContact C-N 3.31Å; I1015-L1017 PolarHBondContact O-N 2.9Å; I1015-E1018 PolarHBondContact O-N 2.9Å; I1015-F1019 HydrophobicContact CG2-CD2 4.04Å; I1015-F1019 PolarHBondContact O-N 2.89Å; I1015-L1022 HydrophobicContact CG2-CD1 3.91Å |
| 1016 | L | 88.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -28.6 | 175.3 | -67.3 | 172.2 | 0 | 0 | 0 | 113.3 | I942 I1011 P1012 K1013 S1014 L1022 | I942-L1016 HydrophobicContact CG1-CB 4.26Å; I942-L1016 HydrophobicContact CG1-CD1 4.46Å; I1011-L1016 HydrophobicContact CB-CD1 4.33Å; I1011-L1016 HydrophobicContact CB-CD2 4.05Å; I1011-L1016 HydrophobicContact CB-CG 4.07Å; I1011-L1016 HydrophobicContact CD1-CD2 4.26Å; I1011-L1016 HydrophobicContact CG2-CD2 3.91Å; I1011-L1016 HydrophobicContact CG2-CG 3.82Å; P1012-L1016 PolarHBondContact O-N 2.81Å; K1013-L1016 PolarHBondContact O-N 3.33Å; S1014-L1016 VanDerWaalsContact C-N 3.34Å; S1014-L1016 PolarHBondContact O-N 3.4Å; L1016-L1022 HydrophobicContact CD2-CB 4.45Å; L1016-L1022 HydrophobicContact CD2-CD1 4.38Å |
| 1017 | L | 87.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.1 | -29.3 | 175.9 | -68.9 | 172.5 | 0 | 0 | 0 | 113.3 | K937 I942 K1013 S1014 I1015 | K937-L1017 HydrophobicContact CD-CD2 4.17Å; K937-L1017 HydrophobicContact CG-CD2 4Å; I942-L1017 HydrophobicContact CD1-CD1 3.72Å; I942-L1017 HydrophobicContact CD1-CD2 3.92Å; I942-L1017 HydrophobicContact CD1-CG 3.7Å; I942-L1017 HydrophobicContact CG1-CD2 4.44Å; I942-L1017 HydrophobicContact CG1-CG 4.31Å; K1013-L1017 WeakPolarHBondContact O-CG 3.46Å; K1013-L1017 PolarHBondContact O-N 3.04Å; S1014-L1017 PolarHBondContact O-N 3.23Å; I1015-L1017 VanDerWaalsContact C-N 3.31Å; I1015-L1017 PolarHBondContact O-N 2.9Å |
| 1018 | E | 86.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 43 Ų | 43 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.6 | -37.6 | 173.7 | -171.2 | -173.9 | 175.5 | 0 | 0 | 111.3 | S1014 I1015 P1020 | S1014-E1018 WeakPolarHBondContact O-CB 3.38Å; S1014-E1018 PolarHBondContact O-N 3.48Å; I1015-E1018 PolarHBondContact O-N 2.9Å; E1018-P1020 WeakPolarHBondContact O-CD 3.48Å |
| 1019 | F | 88.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | trans | -125.1 | 76.4 | -178.1 | -58.9 | -77.2 | 0 | 0 | 0 | 112.7 | I1015 I1021 L1022 L1185 R1186 L1189 | I1015-F1019 HydrophobicContact CG2-CD2 4.04Å; I1015-F1019 PolarHBondContact O-N 2.89Å; F1019-I1021 HydrophobicContact CB-CG2 4.43Å; F1019-I1021 PolarHBondContact O-N 3.16Å; F1019-I1021 VanDerWaalsContact O-N 3.07Å; F1019-L1022 HydrophobicContact CB-CD1 3.99Å; F1019-L1022 HydrophobicContact CB-CG 3.94Å; F1019-L1022 WeakPolarHBondContact O-CB 3.04Å; F1019-L1022 WeakPolarHBondContact O-CG 3.38Å; F1019-L1022 PolarHBondContact O-N 3.34Å; F1019-L1022 VanDerWaalsContact O-N 3.09Å; F1019-L1185 HydrophobicContact CD1-CB 3.73Å; F1019-L1185 HydrophobicContact CD1-CD1 4.31Å; F1019-L1185 HydrophobicContact CD1-CG 4.47Å; F1019-L1185 HydrophobicContact CE1-CB 3.57Å; F1019-L1185 HydrophobicContact CG-CB 4.48Å; F1019-L1185 HydrophobicContact CG-CD1 4.46Å; F1019-L1185 HydrophobicContact CZ-CB 4.22Å; F1019-R1186 HydrophobicContact CE2-CG 4.08Å; F1019-R1186 HydrophobicContact CZ-CB 4.44Å; F1019-R1186 HydrophobicContact CZ-CG 3.56Å; F1019-L1189 HydrophobicContact CD1-CD1 4.06Å; F1019-L1189 HydrophobicContact CE1-CD1 3.27Å; F1019-L1189 HydrophobicContact CE1-CG 3.8Å; F1019-L1189 HydrophobicContact CZ-CD1 3.73Å | ||
| 1020 | P | 90 | Very high | 86 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -55 | -30.1 | 177.7 | -25.6 | 34.6 | 0 | 0 | 0 | 113.8 | A777 E780 A781 L941 E1018 L1022 Y1023 | A777-P1020 HydrophobicContact CB-CB 4.37Å; A777-P1020 HydrophobicContact CB-CG 3.87Å; A777-P1020 WeakPolarHBondContact O-CB 3.41Å; E780-P1020 HydrophobicContact CB-CB 4.11Å; E780-P1020 HydrophobicContact CB-CG 4.46Å; A781-P1020 WeakPolarHBondContact CA-O 3.21Å; A781-P1020 HydrophobicContact CB-CB 4.05Å; A781-P1020 WeakPolarHBondContact CB-O 3.09Å; L941-P1020 HydrophobicContact CD1-CB 3.87Å; L941-P1020 HydrophobicContact CD1-CG 4.12Å; L941-P1020 HydrophobicContact CD2-CB 4.37Å; E1018-P1020 WeakPolarHBondContact O-CD 3.48Å; P1020-L1022 PolarHBondContact O-N 3.34Å; P1020-Y1023 VanDerWaalsContact O-CB 3.25Å; P1020-Y1023 WeakPolarHBondContact O-CB 3.28Å; P1020-Y1023 PolarHBondContact O-N 2.95Å |
| 1021 | I | 89.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 35% | 0.354 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55 | -20.1 | 177.4 | -161 | 168.1 | 0 | 0 | 0 | 114.3 | E780 F1019 Y1023 K1024 L1185 | E780-I1021 WeakPolarHBondContact O-CA 3.19Å; F1019-I1021 HydrophobicContact CB-CG2 4.43Å; F1019-I1021 PolarHBondContact O-N 3.16Å; F1019-I1021 VanDerWaalsContact O-N 3.07Å; I1021-Y1023 PolarHBondContact O-N 2.7Å; I1021-K1024 WeakPolarHBondContact O-CB 3.29Å; I1021-K1024 PolarHBondContact O-N 3.28Å; I1021-L1185 HydrophobicContact CG2-CD1 4.35Å; I1021-L1185 HydrophobicContact CG2-CD2 4.05Å |
| 1022 | L | 89.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -62.6 | -26 | 173.6 | -65 | -180 | 0 | 0 | 0 | 112.8 | I1011 I1015 L1016 F1019 P1020 K1024 G1025 W1178 L1185 | I1011-L1022 HydrophobicContact CD1-CD1 4.37Å; I1015-L1022 HydrophobicContact CG2-CD1 3.91Å; L1016-L1022 HydrophobicContact CD2-CB 4.45Å; L1016-L1022 HydrophobicContact CD2-CD1 4.38Å; F1019-L1022 HydrophobicContact CB-CD1 3.99Å; F1019-L1022 HydrophobicContact CB-CG 3.94Å; F1019-L1022 WeakPolarHBondContact O-CB 3.04Å; F1019-L1022 WeakPolarHBondContact O-CG 3.38Å; F1019-L1022 PolarHBondContact O-N 3.34Å; F1019-L1022 VanDerWaalsContact O-N 3.09Å; P1020-L1022 PolarHBondContact O-N 3.34Å; L1022-K1024 VanDerWaalsContact C-N 3.33Å; L1022-K1024 PolarHBondContact O-N 3.41Å; L1022-G1025 PolarHBondContact O-N 3.06Å; L1022-G1025 VanDerWaalsContact O-N 3.16Å; L1022-W1178 HydrophobicContact CD2-CZ3 4.08Å; L1022-L1185 HydrophobicContact CD2-CD1 3.86Å |
| 1023 | Y | 90.5 | Very high | 86.4 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62.5 | -38.6 | 174 | -169.6 | -87.4 | 0 | 0 | 0 | 112.1 | M401 G402 Q403 V404 A781 I783 L940 L941 P1020 I1021 G1025 I1026 A1027 | M401-Y1023 PolarHBondContact O-OH 2.61Å; G402-Y1023 VanDerWaalsContact C-OH 3.22Å; Q403-Y1023 PolarHBondContact N-OH 3.13Å; V404-Y1023 PolarHBondContact N-OH 3.31Å; V404-Y1023 WeakPolarHBondContact O-CE1 3.3Å; A781-Y1023 HydrophobicContact CB-CD1 4.29Å; A781-Y1023 HydrophobicContact CB-CG 4.23Å; I783-Y1023 HydrophobicContact CD1-CD1 4.1Å; I783-Y1023 HydrophobicContact CD1-CE1 3.69Å; I783-Y1023 HydrophobicContact CG1-CD1 4.18Å; I783-Y1023 HydrophobicContact CG1-CE1 3.96Å; L940-Y1023 HydrophobicContact CB-CE2 4.39Å; L940-Y1023 WeakPolarHBondContact O-CE2 3.3Å; L941-Y1023 HydrophobicContact CD2-CD2 4.02Å; L941-Y1023 HydrophobicContact CD2-CG 4.13Å; P1020-Y1023 VanDerWaalsContact O-CB 3.25Å; P1020-Y1023 WeakPolarHBondContact O-CB 3.28Å; P1020-Y1023 PolarHBondContact O-N 2.95Å; I1021-Y1023 PolarHBondContact O-N 2.7Å; Y1023-G1025 PolarHBondContact O-N 2.95Å; Y1023-G1025 VanDerWaalsContact O-N 3.1Å; Y1023-I1026 HydrophobicContact CD2-CD1 4.33Å; Y1023-I1026 HydrophobicContact CE2-CD1 4.48Å; Y1023-I1026 WeakPolarHBondContact O-CG1 3.29Å; Y1023-I1026 PolarHBondContact O-N 3.13Å; Y1023-A1027 PolarHBondContact O-N 3.04Å |
| 1024 | K | 86.4 | Confident | 86.4 | Confident | 144 Ų | 144 | 42.5 Ų | 42.5 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -58.1 | -27.1 | 175.3 | -167.5 | 177.4 | 179.5 | -179.2 | 0 | 112.5 | A781 I1021 L1022 | A781-K1024 PolarHBondContact O-N 2.78Å; I1021-K1024 WeakPolarHBondContact O-CB 3.29Å; I1021-K1024 PolarHBondContact O-N 3.28Å; L1022-K1024 VanDerWaalsContact C-N 3.33Å; L1022-K1024 PolarHBondContact O-N 3.41Å |
| 1025 | G | 82.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 46 Ų | 46 | 55% | 0.546 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -72.2 | -23.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1022 Y1023 S1030 | L1022-G1025 PolarHBondContact O-N 3.06Å; L1022-G1025 VanDerWaalsContact O-N 3.16Å; Y1023-G1025 PolarHBondContact O-N 2.95Å; Y1023-G1025 VanDerWaalsContact O-N 3.1Å; G1025-S1030 WeakPolarHBondContact O-CB 3.36Å; G1025-S1030 PolarHBondContact O-OG 3.36Å |
| 1026 | I | 85.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.046 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -19.8 | 177.7 | 61.3 | 161.1 | 0 | 0 | 0 | 113.6 | G402 Q403 H945 Y948 Y1023 S1030 I1031 | G402-I1026 WeakPolarHBondContact O-CD1 3.35Å; Q403-I1026 PolarHBondContact NE2-O 3.05Å; H945-I1026 HydrophobicContact CB-CD1 3.97Å; H945-I1026 WeakPolarHBondContact ND1-CD1 3.4Å; Y948-I1026 HydrophobicContact CD1-CB 3.9Å; Y948-I1026 HydrophobicContact CD1-CD1 4.03Å; Y948-I1026 HydrophobicContact CD1-CG1 4.48Å; Y948-I1026 HydrophobicContact CD1-CG2 4.49Å; Y948-I1026 HydrophobicContact CE1-CB 4.03Å; Y948-I1026 WeakPolarHBondContact CE1-O 3.45Å; Y1023-I1026 HydrophobicContact CD2-CD1 4.33Å; Y1023-I1026 HydrophobicContact CE2-CD1 4.48Å; Y1023-I1026 WeakPolarHBondContact O-CG1 3.29Å; Y1023-I1026 PolarHBondContact O-N 3.13Å; I1026-S1030 WeakPolarHBondContact CA-OG 3.32Å; I1026-I1031 HydrophobicContact CG2-CD1 4.17Å |
| 1027 | A | 80 | Confident | 86.9 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1023 N1029 S1030 | Y1023-A1027 PolarHBondContact O-N 3.04Å; A1027-N1029 PolarHBondContact O-N 3.03Å; A1027-S1030 PolarHBondContact O-N 3.31Å |
| 1028 | N | 81.8 | Confident | 87.1 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.2 | -175.7 | -80.9 | -78.1 | 0 | 0 | 0 | 115 | E405 S1030 | E405-N1028 PolarHBondContact OE1-ND2 3.2Å; E405-N1028 PolarHBondContact OE1-OD1 3.21Å; N1028-S1030 VanDerWaalsContact C-N 3.34Å; N1028-S1030 PolarHBondContact O-N 3.4Å |
| 1029 | N | 81.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 43 | -177.6 | -76.5 | -80.7 | 0 | 0 | 0 | 113.4 | Q403 Y948 A1027 I1031 L1032 S1033 | Q403-N1029 VanDerWaalsContact OE1-CA 3.29Å; Q403-N1029 PolarHBondContact OE1-ND2 2.7Å; Y948-N1029 WeakPolarHBondContact CE2-OD1 3.3Å; Y948-N1029 VanDerWaalsContact OH-C 3.26Å; Y948-N1029 WeakPolarHBondContact OH-CA 3.23Å; A1027-N1029 PolarHBondContact O-N 3.03Å; N1029-I1031 VanDerWaalsContact C-N 3.31Å; N1029-I1031 PolarHBondContact O-N 3.15Å; N1029-L1032 CarbonylContact O-C 3.58Å; N1029-L1032 VanDerWaalsContact O-C 3.27Å; N1029-L1032 PolarHBondContact O-N 3.4Å; N1029-S1033 PolarHBondContact O-N 3.22Å |
| 1030 | S | 83.5 | Confident | 87.7 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 28% | 0.28 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -60.1 | -36.7 | -172.5 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | G1025 I1026 A1027 N1028 S1033 | G1025-S1030 WeakPolarHBondContact O-CB 3.36Å; G1025-S1030 PolarHBondContact O-OG 3.36Å; I1026-S1030 WeakPolarHBondContact CA-OG 3.32Å; A1027-S1030 PolarHBondContact O-N 3.31Å; N1028-S1030 VanDerWaalsContact C-N 3.34Å; N1028-S1030 PolarHBondContact O-N 3.4Å; S1030-S1033 WeakPolarHBondContact O-CB 3.28Å; S1030-S1033 PolarHBondContact O-N 3.15Å; S1030-S1033 PolarHBondContact O-OG 2.74Å |
| 1031 | I | 86.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -42.5 | 178.5 | -55.5 | -179.8 | 0 | 0 | 0 | 110.3 | Y948 Q949 I953 L956 I1026 N1029 S1033 R1036 | Y948-I1031 HydrophobicContact CD1-CD1 3.98Å; Y948-I1031 HydrophobicContact CE1-CB 3.95Å; Y948-I1031 HydrophobicContact CE1-CD1 3.63Å; Y948-I1031 HydrophobicContact CE1-CG1 3.75Å; Q949-I1031 HydrophobicContact CB-CD1 3.96Å; Q949-I1031 HydrophobicContact CG-CD1 3.96Å; I953-I1031 HydrophobicContact CG1-CG2 4.25Å; L956-I1031 HydrophobicContact CD1-CG2 4.45Å; I1026-I1031 HydrophobicContact CG2-CD1 4.17Å; N1029-I1031 VanDerWaalsContact C-N 3.31Å; N1029-I1031 PolarHBondContact O-N 3.15Å; I1031-S1033 PolarHBondContact O-N 2.95Å; I1031-R1036 WeakPolarHBondContact O-CB 3.49Å; I1031-R1036 VanDerWaalsContact O-CD 3.23Å; I1031-R1036 WeakPolarHBondContact O-CD 3.36Å |
| 1032 | L | 87 | Confident | 88.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 29.9 | 174.2 | -70.1 | 170.3 | 0 | 0 | 0 | 113.1 | V294 Y301 Y948 V955 L956 N1029 | V294-L1032 HydrophobicContact CB-CD1 4.31Å; V294-L1032 HydrophobicContact CG1-CD1 3.58Å; V294-L1032 HydrophobicContact CG2-CD1 4.1Å; Y301-L1032 PolarHBondContact OH-O 3.13Å; Y948-L1032 PolarHBondContact OH-N 3.07Å; V955-L1032 HydrophobicContact CB-CD2 4.21Å; V955-L1032 HydrophobicContact CG1-CD2 4.09Å; L956-L1032 HydrophobicContact CD2-CD2 4.3Å; L956-L1032 HydrophobicContact CG-CD2 4.08Å; N1029-L1032 CarbonylContact O-C 3.58Å; N1029-L1032 VanDerWaalsContact O-C 3.27Å; N1029-L1032 PolarHBondContact O-N 3.4Å |
| 1033 | S | 88.2 | Confident | 88.3 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | trans | -71.5 | 149.1 | 175 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | N1029 S1030 I1031 R1035 R1036 F1037 | N1029-S1033 PolarHBondContact O-N 3.22Å; S1030-S1033 WeakPolarHBondContact O-CB 3.28Å; S1030-S1033 PolarHBondContact O-N 3.15Å; S1030-S1033 PolarHBondContact O-OG 2.74Å; I1031-S1033 PolarHBondContact O-N 2.95Å; S1033-R1035 PolarHBondContact O-N 3.35Å; S1033-R1035 VanDerWaalsContact O-N 3.14Å; S1033-R1036 PolarHBondContact O-N 3.24Å; S1033-F1037 PolarHBondContact O-N 3.29Å | ||
| 1034 | K | 88.2 | Confident | 88.5 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -53.8 | -37 | 179.5 | -63 | -177.9 | -178 | -179.7 | 0 | 112.3 | Y301 F1037 I1038 | Y301-K1034 PolarHBondContact OH-N 2.72Å; K1034-F1037 PolarHBondContact O-N 2.93Å; K1034-I1038 VanDerWaalsContact O-CG1 3.28Å; K1034-I1038 WeakPolarHBondContact O-CG1 3.3Å; K1034-I1038 PolarHBondContact O-N 2.86Å |
| 1035 | R | 90.9 | Very high | 88.9 | Confident | 151 Ų | 151 | 49.8 Ų | 49.8 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 177.3 | 179.7 | 177.7 | 174.6 | 179.2 | -1.1 | 112.1 | S1033 I1038 I1039 Y1332 | S1033-R1035 PolarHBondContact O-N 3.35Å; S1033-R1035 VanDerWaalsContact O-N 3.14Å; R1035-I1038 PolarHBondContact O-N 3.47Å; R1035-I1039 HydrophobicContact CG-CD1 4.09Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.31Å; R1035-I1039 PolarHBondContact O-N 3.12Å; R1035-Y1332 PolarHBondContact NH1-OH 2.91Å; R1035-Y1332 PolarHBondContact NH2-OH 3.35Å |
| 1036 | R | 90.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 52 Ų | 52 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.7 | -75.5 | -177.1 | 173.2 | -159.5 | -0.7 | 110.7 | I1031 S1033 I1038 I1039 W1040 | I1031-R1036 WeakPolarHBondContact O-CB 3.49Å; I1031-R1036 VanDerWaalsContact O-CD 3.23Å; I1031-R1036 WeakPolarHBondContact O-CD 3.36Å; S1033-R1036 PolarHBondContact O-N 3.24Å; R1036-I1038 VanDerWaalsContact C-N 3.35Å; R1036-I1038 PolarHBondContact O-N 2.89Å; R1036-I1039 PolarHBondContact O-N 3.32Å; R1036-W1040 VanDerWaalsContact O-CD1 3.22Å; R1036-W1040 PolarHBondContact O-N 3Å |
| 1037 | F | 91.2 | Very high | 90 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.5 | -48.3 | 173.6 | -177.7 | -97.8 | 0 | 0 | 0 | 112.2 | Y301 I305 L956 F959 S1033 K1034 I1039 W1040 I1041 | Y301-F1037 HydrophobicContact CD1-CB 4.44Å; Y301-F1037 AromaticContact CD1-CD1 3.75Å; Y301-F1037 HydrophobicContact CD1-CD1 3.75Å; Y301-F1037 AromaticContact CD1-CD2 3.79Å; Y301-F1037 HydrophobicContact CD1-CD2 3.79Å; Y301-F1037 AromaticContact CD1-CE1 3.84Å; Y301-F1037 HydrophobicContact CD1-CE1 3.84Å; Y301-F1037 AromaticContact CD1-CE2 3.89Å; Y301-F1037 HydrophobicContact CD1-CE2 3.89Å; Y301-F1037 AromaticContact CD1-CG 3.72Å; Y301-F1037 HydrophobicContact CD1-CG 3.72Å; Y301-F1037 AromaticContact CD1-CZ 3.91Å; Y301-F1037 HydrophobicContact CD1-CZ 3.91Å; Y301-F1037 HydrophobicContact CD2-CD2 4.19Å; Y301-F1037 HydrophobicContact CD2-CE2 4.43Å; Y301-F1037 HydrophobicContact CE1-CB 3.8Å; Y301-F1037 AromaticContact CE1-CD1 3.76Å; Y301-F1037 HydrophobicContact CE1-CD1 3.76Å; Y301-F1037 AromaticContact CE1-CD2 3.99Å; Y301-F1037 HydrophobicContact CE1-CD2 3.99Å; Y301-F1037 HydrophobicContact CE1-CE1 4.33Å; Y301-F1037 AromaticContact CE1-CG 3.57Å; Y301-F1037 HydrophobicContact CE1-CG 3.57Å; Y301-F1037 HydrophobicContact CE2-CD2 4.35Å; Y301-F1037 AromaticContact CG-CD2 3.92Å; Y301-F1037 HydrophobicContact CG-CD2 3.92Å; Y301-F1037 AromaticContact CG-CE2 3.86Å; Y301-F1037 HydrophobicContact CG-CE2 3.86Å; Y301-F1037 HydrophobicContact CG-CG 4.32Å; Y301-F1037 HydrophobicContact CG-CZ 4.19Å; I305-F1037 HydrophobicContact CD1-CZ 4.1Å; I305-F1037 HydrophobicContact CG1-CZ 4.42Å; L956-F1037 HydrophobicContact CD2-CB 4.22Å; L956-F1037 HydrophobicContact CD2-CD2 4.07Å; F959-F1037 HydrophobicContact CB-CE2 4.33Å; F959-F1037 AromaticContact CD2-CE2 3.89Å; F959-F1037 HydrophobicContact CD2-CE2 3.89Å; F959-F1037 HydrophobicContact CE2-CE2 4.47Å; F959-F1037 HydrophobicContact CG-CE2 4.24Å; S1033-F1037 PolarHBondContact O-N 3.29Å; K1034-F1037 PolarHBondContact O-N 2.93Å; F1037-I1039 PolarHBondContact O-N 3.04Å; F1037-W1040 PolarHBondContact O-N 3.44Å; F1037-I1041 HydrophobicContact CD1-CG1 4.09Å; F1037-I1041 HydrophobicContact CE1-CD1 4.25Å; F1037-I1041 HydrophobicContact CE1-CG1 3.75Å; F1037-I1041 HydrophobicContact CE2-CD1 4.28Å; F1037-I1041 HydrophobicContact CE2-CG1 4.28Å; F1037-I1041 HydrophobicContact CG-CG1 4.5Å; F1037-I1041 HydrophobicContact CZ-CD1 3.87Å; F1037-I1041 HydrophobicContact CZ-CG1 3.85Å; F1037-I1041 VanDerWaalsContact O-CG1 3.26Å; F1037-I1041 WeakPolarHBondContact O-CG1 3.24Å; F1037-I1041 PolarHBondContact O-N 3.45Å |
| 1038 | I | 92.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 50.7 Ų | 50.7 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.6 | -69 | 163.1 | 0 | 0 | 0 | 111.7 | K1034 R1035 R1036 W1040 I1041 S1042 | K1034-I1038 VanDerWaalsContact O-CG1 3.28Å; K1034-I1038 WeakPolarHBondContact O-CG1 3.3Å; K1034-I1038 PolarHBondContact O-N 2.86Å; R1035-I1038 PolarHBondContact O-N 3.47Å; R1036-I1038 VanDerWaalsContact C-N 3.35Å; R1036-I1038 PolarHBondContact O-N 2.89Å; I1038-W1040 VanDerWaalsContact C-N 3.32Å; I1038-W1040 PolarHBondContact O-N 2.92Å; I1038-I1041 PolarHBondContact O-N 3.19Å; I1038-S1042 PolarHBondContact O-N 2.98Å; I1038-S1042 PolarHBondContact O-OG 2.92Å |
| 1039 | I | 92.8 | Very high | 91.4 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 35% | 0.349 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 177.3 | -68.2 | 163.4 | 0 | 0 | 0 | 111 | R1035 R1036 F1037 I1041 S1042 L1043 I1170 | R1035-I1039 HydrophobicContact CG-CD1 4.09Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.31Å; R1035-I1039 PolarHBondContact O-N 3.12Å; R1036-I1039 PolarHBondContact O-N 3.32Å; F1037-I1039 PolarHBondContact O-N 3.04Å; I1039-I1041 PolarHBondContact O-N 2.95Å; I1039-S1042 PolarHBondContact O-N 2.72Å; I1039-L1043 HydrophobicContact CG2-CD1 4.14Å; I1039-L1043 WeakPolarHBondContact O-CG 3.48Å; I1039-L1043 PolarHBondContact O-N 2.91Å; I1039-I1170 HydrophobicContact CG2-CD1 4.46Å |
| 1040 | W | 93.8 | Very high | 92 | Very high | 37 Ų | 37 | 51 Ų | 51 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 178.3 | -84.1 | 78.4 | 0 | 0 | 0 | 113.1 | I953 L956 Y957 Y960 R1036 F1037 I1038 A1044 I1097 | I953-W1040 HydrophobicContact CG2-CH2 4.46Å; I953-W1040 HydrophobicContact CG2-CZ2 4.48Å; L956-W1040 HydrophobicContact CB-CD2 3.91Å; L956-W1040 HydrophobicContact CB-CE3 4.28Å; L956-W1040 HydrophobicContact CB-CG 4.15Å; L956-W1040 HydrophobicContact CB-CZ2 4.39Å; Y957-W1040 HydrophobicContact CD2-CZ3 4.19Å; Y960-W1040 HydrophobicContact CD1-CZ3 4.4Å; Y960-W1040 HydrophobicContact CD2-CE3 4.3Å; Y960-W1040 AromaticContact CG-CE3 3.94Å; Y960-W1040 HydrophobicContact CG-CE3 3.94Å; Y960-W1040 HydrophobicContact CG-CZ3 4.21Å; R1036-W1040 VanDerWaalsContact O-CD1 3.22Å; R1036-W1040 PolarHBondContact O-N 3Å; F1037-W1040 PolarHBondContact O-N 3.44Å; I1038-W1040 VanDerWaalsContact C-N 3.32Å; I1038-W1040 PolarHBondContact O-N 2.92Å; W1040-A1044 PolarHBondContact O-N 3.47Å; W1040-I1097 HydrophobicContact CH2-CD1 3.47Å; W1040-I1097 VanDerWaalsContact CH2-CD1 3.47Å; W1040-I1097 HydrophobicContact CH2-CG1 4.33Å; W1040-I1097 HydrophobicContact CZ2-CD1 4.28Å; W1040-I1097 HydrophobicContact CZ3-CD1 4.22Å |
| 1041 | I | 93.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 173.6 | -66.6 | -69.5 | 0 | 0 | 0 | 110.7 | L963 F1037 I1038 I1039 L1043 A1044 C1045 | L963-I1041 HydrophobicContact CD2-CB 4.47Å; L963-I1041 HydrophobicContact CD2-CD1 3.62Å; L963-I1041 HydrophobicContact CD2-CG2 3.83Å; F1037-I1041 HydrophobicContact CD1-CG1 4.09Å; F1037-I1041 HydrophobicContact CE1-CD1 4.25Å; F1037-I1041 HydrophobicContact CE1-CG1 3.75Å; F1037-I1041 HydrophobicContact CE2-CD1 4.28Å; F1037-I1041 HydrophobicContact CE2-CG1 4.28Å; F1037-I1041 HydrophobicContact CG-CG1 4.5Å; F1037-I1041 HydrophobicContact CZ-CD1 3.87Å; F1037-I1041 HydrophobicContact CZ-CG1 3.85Å; F1037-I1041 VanDerWaalsContact O-CG1 3.26Å; F1037-I1041 WeakPolarHBondContact O-CG1 3.24Å; F1037-I1041 PolarHBondContact O-N 3.45Å; I1038-I1041 PolarHBondContact O-N 3.19Å; I1039-I1041 PolarHBondContact O-N 2.95Å; I1041-L1043 VanDerWaalsContact C-N 3.34Å; I1041-L1043 PolarHBondContact O-N 3.43Å; I1041-A1044 WeakPolarHBondContact O-CB 3.45Å; I1041-A1044 PolarHBondContact O-N 3.34Å; I1041-A1044 VanDerWaalsContact O-N 3.17Å; I1041-C1045 PolarHBondContact O-N 3.37Å; I1041-C1045 PolarHBondContact O-SG 3.3Å; I1041-C1045 VanDerWaalsContact O-SG 3.33Å |
| 1042 | S | 94.2 | Very high | 92.9 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 49% | 0.49 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | I1038 I1039 C1045 W1046 | I1038-S1042 PolarHBondContact O-N 2.98Å; I1038-S1042 PolarHBondContact O-OG 2.92Å; I1039-S1042 PolarHBondContact O-N 2.72Å; S1042-C1045 PolarHBondContact O-N 3Å; S1042-W1046 PolarHBondContact O-N 2.95Å |
| 1043 | L | 94.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 173.1 | -71.1 | 169.4 | 0 | 0 | 0 | 112.1 | I1039 I1041 C1045 W1046 H1047 P1166 I1170 | I1039-L1043 HydrophobicContact CG2-CD1 4.14Å; I1039-L1043 WeakPolarHBondContact O-CG 3.48Å; I1039-L1043 PolarHBondContact O-N 2.91Å; I1041-L1043 VanDerWaalsContact C-N 3.34Å; I1041-L1043 PolarHBondContact O-N 3.43Å; L1043-C1045 VanDerWaalsContact C-N 3.34Å; L1043-C1045 PolarHBondContact O-N 3.2Å; L1043-W1046 PolarHBondContact O-N 3.13Å; L1043-H1047 PolarHBondContact O-N 3.02Å; L1043-H1047 PolarHBondContact O-ND1 3.05Å; L1043-P1166 HydrophobicContact CD2-CB 4.08Å; L1043-I1170 HydrophobicContact CD1-CD1 3.99Å; L1043-I1170 HydrophobicContact CD2-CD1 4.1Å; L1043-I1170 HydrophobicContact CG-CD1 4.48Å |
| 1044 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y960 L963 W1040 I1041 A1048 | Y960-A1044 HydrophobicContact CD2-CB 3.62Å; Y960-A1044 HydrophobicContact CE2-CB 4.12Å; Y960-A1044 HydrophobicContact CG-CB 4.38Å; L963-A1044 HydrophobicContact CB-CB 4.11Å; L963-A1044 HydrophobicContact CD2-CB 3.95Å; L963-A1044 HydrophobicContact CG-CB 4.16Å; W1040-A1044 PolarHBondContact O-N 3.47Å; I1041-A1044 WeakPolarHBondContact O-CB 3.45Å; I1041-A1044 PolarHBondContact O-N 3.34Å; I1041-A1044 VanDerWaalsContact O-N 3.17Å; A1044-A1048 VanDerWaalsContact O-CB 3.23Å; A1044-A1048 WeakPolarHBondContact O-CB 3.04Å; A1044-A1048 PolarHBondContact O-N 3.28Å |
| 1045 | C | 94.7 | Very high | 93.3 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 34% | 0.338 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 174.6 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | L967 I1041 S1042 L1043 A1048 F1049 | L967-C1045 HydrophobicContact CD1-CB 4.24Å; I1041-C1045 PolarHBondContact O-N 3.37Å; I1041-C1045 PolarHBondContact O-SG 3.3Å; I1041-C1045 VanDerWaalsContact O-SG 3.33Å; S1042-C1045 PolarHBondContact O-N 3Å; L1043-C1045 VanDerWaalsContact C-N 3.34Å; L1043-C1045 PolarHBondContact O-N 3.2Å; C1045-A1048 PolarHBondContact O-N 3.47Å; C1045-F1049 VanDerWaalsContact O-CB 3.24Å; C1045-F1049 WeakPolarHBondContact O-CB 3.21Å; C1045-F1049 PolarHBondContact O-N 3.13Å |
| 1046 | W | 95.7 | Very high | 93.2 | Very high | 99 Ų | 99 | 38.8 Ų | 38.8 | 38% | 0.375 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.2 | -50.6 | 176.7 | 174.1 | -111.8 | 0 | 0 | 0 | 111.8 | S1042 L1043 A1048 F1049 I1050 A1163 | S1042-W1046 PolarHBondContact O-N 2.95Å; L1043-W1046 PolarHBondContact O-N 3.13Å; W1046-A1048 PolarHBondContact O-N 3.5Å; W1046-F1049 WeakPolarHBondContact O-CB 3.07Å; W1046-F1049 PolarHBondContact O-N 3.08Å; W1046-I1050 HydrophobicContact CD2-CG1 4.06Å; W1046-I1050 HydrophobicContact CE3-CG1 4.4Å; W1046-I1050 HydrophobicContact CH2-CD1 3.8Å; W1046-I1050 HydrophobicContact CH2-CG1 4.17Å; W1046-I1050 HydrophobicContact CZ2-CD1 3.81Å; W1046-I1050 HydrophobicContact CZ2-CG1 3.78Å; W1046-I1050 HydrophobicContact CZ3-CD1 4.22Å; W1046-I1050 HydrophobicContact CZ3-CG1 4.46Å; W1046-I1050 WeakPolarHBondContact O-CG1 3.15Å; W1046-I1050 PolarHBondContact O-N 2.92Å; W1046-A1163 PolarHBondContact NE1-O 2.95Å |
| 1047 | H | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -37 | -179.8 | -57.6 | 157.6 | 0 | 0 | 0 | 112.5 | Y960 I964 L1043 F1049 A1051 I1089 A1163 D1167 | Y960-H1047 AromaticContact CE2-CE1 3.99Å; Y960-H1047 AromaticContact CE2-ND1 3.41Å; Y960-H1047 WeakPolarHBondContact CE2-ND1 3.35Å; Y960-H1047 AromaticContact CZ-ND1 3.55Å; Y960-H1047 PolarHBondContact OH-ND1 2.92Å; I964-H1047 HydrophobicContact CD1-CB 3.39Å; I964-H1047 HydrophobicContact CG1-CB 4.01Å; L1043-H1047 PolarHBondContact O-N 3.02Å; L1043-H1047 PolarHBondContact O-ND1 3.05Å; H1047-F1049 VanDerWaalsContact C-N 3.33Å; H1047-A1051 WeakPolarHBondContact O-CB 3.15Å; H1047-A1051 PolarHBondContact O-N 3.36Å; H1047-I1089 HydrophobicContact CB-CG2 4.18Å; H1047-A1163 PolarHBondContact CD2-O 3.32Å; H1047-A1163 PolarHBondContact NE2-O 3.04Å; H1047-D1167 IonicContact CE1-OD2 3.62Å; H1047-D1167 PolarHBondContact CE1-OD2 3.34Å; H1047-D1167 IonicContact NE2-OD2 3.61Å |
| 1048 | A | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I964 L967 P968 F971 A1044 C1045 W1046 F1052 | I964-A1048 HydrophobicContact CG1-CB 4.27Å; L967-A1048 HydrophobicContact CB-CB 3.53Å; L967-A1048 HydrophobicContact CD1-CB 3.81Å; L967-A1048 HydrophobicContact CG-CB 4.34Å; P968-A1048 HydrophobicContact CG-CB 4.3Å; F971-A1048 HydrophobicContact CE2-CB 4.09Å; A1044-A1048 VanDerWaalsContact O-CB 3.23Å; A1044-A1048 WeakPolarHBondContact O-CB 3.04Å; A1044-A1048 PolarHBondContact O-N 3.28Å; C1045-A1048 PolarHBondContact O-N 3.47Å; W1046-A1048 PolarHBondContact O-N 3.5Å; A1048-F1052 VanDerWaalsContact O-CB 3.25Å; A1048-F1052 WeakPolarHBondContact O-CB 3.26Å; A1048-F1052 PolarHBondContact O-N 2.86Å |
| 1049 | F | 95.3 | Very high | 92 | Very high | 94 Ų | 94 | 35.5 Ų | 35.5 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -50.8 | 177.1 | -177.9 | -88.5 | 0 | 0 | 0 | 111 | F971 C1045 W1046 H1047 F1052 F1053 | F971-F1049 HydrophobicContact CE2-CB 4.5Å; C1045-F1049 VanDerWaalsContact O-CB 3.24Å; C1045-F1049 WeakPolarHBondContact O-CB 3.21Å; C1045-F1049 PolarHBondContact O-N 3.13Å; W1046-F1049 WeakPolarHBondContact O-CB 3.07Å; W1046-F1049 PolarHBondContact O-N 3.08Å; H1047-F1049 VanDerWaalsContact C-N 3.33Å; F1049-F1052 PolarHBondContact O-N 2.91Å; F1049-F1053 HydrophobicContact CD1-CD2 4.4Å; F1049-F1053 AromaticContact CD2-CD2 3.35Å; F1049-F1053 HydrophobicContact CD2-CD2 3.35Å; F1049-F1053 AromaticContact CD2-CE2 3.51Å; F1049-F1053 HydrophobicContact CD2-CE2 3.51Å; F1049-F1053 HydrophobicContact CD2-CG 4.44Å; F1049-F1053 HydrophobicContact CE1-CD2 4.43Å; F1049-F1053 AromaticContact CE2-CD2 3.4Å; F1049-F1053 HydrophobicContact CE2-CD2 3.4Å; F1049-F1053 AromaticContact CE2-CE2 3.53Å; F1049-F1053 HydrophobicContact CE2-CE2 3.53Å; F1049-F1053 HydrophobicContact CE2-CG 4.17Å; F1049-F1053 HydrophobicContact CE2-CZ 4.39Å; F1049-F1053 AromaticContact CG-CD2 3.88Å; F1049-F1053 HydrophobicContact CG-CD2 3.88Å; F1049-F1053 HydrophobicContact CG-CE2 4.42Å; F1049-F1053 AromaticContact CZ-CD2 3.96Å; F1049-F1053 HydrophobicContact CZ-CD2 3.96Å; F1049-F1053 HydrophobicContact CZ-CE2 4.46Å; F1049-F1053 HydrophobicContact CZ-CG 4.35Å; F1049-F1053 WeakPolarHBondContact O-CB 3.31Å; F1049-F1053 PolarHBondContact O-N 3.32Å |
| 1050 | I | 95.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.8 | -63.8 | -61 | 0 | 0 | 0 | 111.7 | W1046 G1054 L1159 L1162 A1163 | W1046-I1050 HydrophobicContact CD2-CG1 4.06Å; W1046-I1050 HydrophobicContact CE3-CG1 4.4Å; W1046-I1050 HydrophobicContact CH2-CD1 3.8Å; W1046-I1050 HydrophobicContact CH2-CG1 4.17Å; W1046-I1050 HydrophobicContact CZ2-CD1 3.81Å; W1046-I1050 HydrophobicContact CZ2-CG1 3.78Å; W1046-I1050 HydrophobicContact CZ3-CD1 4.22Å; W1046-I1050 HydrophobicContact CZ3-CG1 4.46Å; W1046-I1050 WeakPolarHBondContact O-CG1 3.15Å; W1046-I1050 PolarHBondContact O-N 2.92Å; I1050-G1054 WeakPolarHBondContact O-CA 3.49Å; I1050-G1054 PolarHBondContact O-N 3.08Å; I1050-L1159 HydrophobicContact CG2-CD2 4.13Å; I1050-L1162 HydrophobicContact CD1-CD2 4.07Å; I1050-L1162 HydrophobicContact CD1-CG 4.28Å; I1050-L1162 HydrophobicContact CG2-CB 4.37Å; I1050-L1162 HydrophobicContact CG2-CD2 4.19Å; I1050-L1162 HydrophobicContact CG2-CG 4.23Å; I1050-A1163 HydrophobicContact CB-CB 4.41Å; I1050-A1163 HydrophobicContact CG2-CB 4.09Å |
| 1051 | A | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1047 S1055 I1085 I1086 | H1047-A1051 WeakPolarHBondContact O-CB 3.15Å; H1047-A1051 PolarHBondContact O-N 3.36Å; A1051-S1055 WeakPolarHBondContact O-CB 3.24Å; A1051-S1055 PolarHBondContact O-N 3.45Å; A1051-S1055 PolarHBondContact O-OG 3.22Å; A1051-I1085 HydrophobicContact CB-CG2 4.02Å; A1051-I1086 HydrophobicContact CB-CG1 3.97Å |
| 1052 | F | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73 | -58.4 | -178.5 | -179.8 | -91.6 | 0 | 0 | 0 | 112.6 | P968 F971 Y972 F975 A1048 F1049 S1055 Y1056 F1078 I1082 | P968-F1052 HydrophobicContact CB-CB 4.09Å; P968-F1052 HydrophobicContact CB-CD2 3.92Å; P968-F1052 HydrophobicContact CB-CG 4.38Å; P968-F1052 HydrophobicContact CG-CB 4.41Å; F971-F1052 HydrophobicContact CB-CD1 3.66Å; F971-F1052 HydrophobicContact CB-CD2 4.27Å; F971-F1052 HydrophobicContact CB-CE1 3.8Å; F971-F1052 HydrophobicContact CB-CE2 4.36Å; F971-F1052 HydrophobicContact CB-CG 3.93Å; F971-F1052 HydrophobicContact CB-CZ 4.15Å; F971-F1052 HydrophobicContact CD2-CB 3.98Å; F971-F1052 HydrophobicContact CD2-CD1 4.2Å; F971-F1052 HydrophobicContact CD2-CG 4.12Å; F971-F1052 HydrophobicContact CG-CD1 4.37Å; Y972-F1052 HydrophobicContact CD2-CE2 4.45Å; F975-F1052 HydrophobicContact CD2-CE1 4.12Å; F975-F1052 AromaticContact CD2-CZ 3.83Å; F975-F1052 HydrophobicContact CD2-CZ 3.83Å; F975-F1052 AromaticContact CE2-CE1 3.57Å; F975-F1052 HydrophobicContact CE2-CE1 3.57Å; F975-F1052 AromaticContact CE2-CZ 3.79Å; F975-F1052 HydrophobicContact CE2-CZ 3.79Å; F975-F1052 HydrophobicContact CZ-CE1 4.37Å; A1048-F1052 VanDerWaalsContact O-CB 3.25Å; A1048-F1052 WeakPolarHBondContact O-CB 3.26Å; A1048-F1052 PolarHBondContact O-N 2.86Å; F1049-F1052 PolarHBondContact O-N 2.91Å; F1052-S1055 PolarHBondContact O-N 2.92Å; F1052-Y1056 WeakPolarHBondContact O-CB 3.25Å; F1052-Y1056 PolarHBondContact O-N 3.34Å; F1052-F1078 HydrophobicContact CD2-CZ 4.37Å; F1052-F1078 AromaticContact CE2-CE1 3.97Å; F1052-F1078 HydrophobicContact CE2-CE1 3.97Å; F1052-F1078 AromaticContact CE2-CZ 3.96Å; F1052-F1078 HydrophobicContact CE2-CZ 3.96Å; F1052-F1078 HydrophobicContact CZ-CZ 4.36Å; F1052-I1082 HydrophobicContact CD2-CD1 3.86Å; F1052-I1082 HydrophobicContact CE2-CD1 4.38Å |
| 1053 | F | 92.9 | Very high | 87.1 | Confident | 39 Ų | 39 | 41 Ų | 41 | 17% | 0.171 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.7 | -36.2 | -175.2 | -71.8 | -78.1 | 0 | 0 | 0 | 111.7 | F971 F975 F1049 Y1056 F1057 | F971-F1053 HydrophobicContact CB-CE2 4.5Å; F971-F1053 HydrophobicContact CD2-CE2 4.1Å; F971-F1053 HydrophobicContact CE2-CE2 4.47Å; F971-F1053 HydrophobicContact CG-CE2 4.17Å; F975-F1053 HydrophobicContact CE2-CE1 4.28Å; F975-F1053 HydrophobicContact CZ-CE1 4.17Å; F1049-F1053 HydrophobicContact CD1-CD2 4.4Å; F1049-F1053 AromaticContact CD2-CD2 3.35Å; F1049-F1053 HydrophobicContact CD2-CD2 3.35Å; F1049-F1053 AromaticContact CD2-CE2 3.51Å; F1049-F1053 HydrophobicContact CD2-CE2 3.51Å; F1049-F1053 HydrophobicContact CD2-CG 4.44Å; F1049-F1053 HydrophobicContact CE1-CD2 4.43Å; F1049-F1053 AromaticContact CE2-CD2 3.4Å; F1049-F1053 HydrophobicContact CE2-CD2 3.4Å; F1049-F1053 AromaticContact CE2-CE2 3.53Å; F1049-F1053 HydrophobicContact CE2-CE2 3.53Å; F1049-F1053 HydrophobicContact CE2-CG 4.17Å; F1049-F1053 HydrophobicContact CE2-CZ 4.39Å; F1049-F1053 AromaticContact CG-CD2 3.88Å; F1049-F1053 HydrophobicContact CG-CD2 3.88Å; F1049-F1053 HydrophobicContact CG-CE2 4.42Å; F1049-F1053 AromaticContact CZ-CD2 3.96Å; F1049-F1053 HydrophobicContact CZ-CD2 3.96Å; F1049-F1053 HydrophobicContact CZ-CE2 4.46Å; F1049-F1053 HydrophobicContact CZ-CG 4.35Å; F1049-F1053 WeakPolarHBondContact O-CB 3.31Å; F1049-F1053 PolarHBondContact O-N 3.32Å; F1053-Y1056 PolarHBondContact O-N 3.1Å; F1053-F1057 HydrophobicContact CB-CD2 4.35Å; F1053-F1057 HydrophobicContact CB-CE2 4.03Å; F1053-F1057 WeakPolarHBondContact O-CD2 3.22Å; F1053-F1057 WeakPolarHBondContact O-CG 3.22Å; F1053-F1057 PolarHBondContact O-N 3.38Å |
| 1054 | G | 90.6 | Very high | 85.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1050 L1058 | I1050-G1054 WeakPolarHBondContact O-CA 3.49Å; I1050-G1054 PolarHBondContact O-N 3.08Å; G1054-L1058 VanDerWaalsContact O-CG 3.3Å; G1054-L1058 WeakPolarHBondContact O-CG 3.43Å; G1054-L1058 PolarHBondContact O-N 3.49Å |
| 1055 | S | 88.8 | Confident | 83 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 171 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | A1051 F1052 F1057 L1058 T1059 F1081 I1085 | A1051-S1055 WeakPolarHBondContact O-CB 3.24Å; A1051-S1055 PolarHBondContact O-N 3.45Å; A1051-S1055 PolarHBondContact O-OG 3.22Å; F1052-S1055 PolarHBondContact O-N 2.92Å; S1055-F1057 PolarHBondContact O-N 2.71Å; S1055-L1058 PolarHBondContact O-N 2.86Å; S1055-T1059 WeakPolarHBondContact O-CG2 3.41Å; S1055-T1059 PolarHBondContact O-N 3.14Å; S1055-T1059 PolarHBondContact O-OG1 2.82Å; S1055-T1059 VanDerWaalsContact O-OG1 3.13Å; S1055-F1081 VanDerWaalsContact OG-CD1 3.23Å; S1055-F1081 WeakPolarHBondContact OG-CD1 3.41Å; S1055-F1081 WeakPolarHBondContact OG-CE1 3.41Å; S1055-I1085 VanDerWaalsContact OG-CD1 3.3Å; S1055-I1085 WeakPolarHBondContact OG-CD1 3.2Å |
| 1056 | Y | 88.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | -178.4 | 176.2 | -94.8 | 0 | 0 | 0 | 112.6 | F975 F1052 F1053 L1058 T1059 F1060 F1078 | F975-Y1056 AromaticContact CD1-CE2 3.79Å; F975-Y1056 HydrophobicContact CD1-CE2 3.79Å; F975-Y1056 AromaticContact CD1-CZ 3.98Å; F975-Y1056 HydrophobicContact CE1-CD2 4.3Å; F975-Y1056 AromaticContact CE1-CE1 4Å; F975-Y1056 HydrophobicContact CE1-CE1 4Å; F975-Y1056 AromaticContact CE1-CE2 3.59Å; F975-Y1056 HydrophobicContact CE1-CE2 3.59Å; F975-Y1056 AromaticContact CE1-CZ 3.41Å; F975-Y1056 VanDerWaalsContact CE1-CZ 3.41Å; F975-Y1056 WeakPolarHBondContact CE1-OH 3.47Å; F975-Y1056 HydrophobicContact CZ-CD2 4.49Å; F975-Y1056 HydrophobicContact CZ-CE1 4.34Å; F975-Y1056 HydrophobicContact CZ-CE2 4.2Å; F1052-Y1056 WeakPolarHBondContact O-CB 3.25Å; F1052-Y1056 PolarHBondContact O-N 3.34Å; F1053-Y1056 PolarHBondContact O-N 3.1Å; Y1056-L1058 PolarHBondContact O-N 2.81Å; Y1056-T1059 PolarHBondContact O-N 3.09Å; Y1056-F1060 HydrophobicContact CD2-CB 4.37Å; Y1056-F1060 AromaticContact CD2-CD2 3.39Å; Y1056-F1060 HydrophobicContact CD2-CD2 3.39Å; Y1056-F1060 AromaticContact CD2-CE2 3.97Å; Y1056-F1060 HydrophobicContact CD2-CE2 3.97Å; Y1056-F1060 HydrophobicContact CD2-CG 4.14Å; Y1056-F1060 HydrophobicContact CE2-CB 4.09Å; Y1056-F1060 AromaticContact CE2-CD2 3.64Å; Y1056-F1060 HydrophobicContact CE2-CD2 3.64Å; Y1056-F1060 HydrophobicContact CE2-CE2 4.29Å; Y1056-F1060 AromaticContact CE2-CG 3.96Å; Y1056-F1060 HydrophobicContact CE2-CG 3.96Å; Y1056-F1060 HydrophobicContact CG-CD2 4.21Å; Y1056-F1060 WeakPolarHBondContact O-CB 3.48Å; Y1056-F1060 PolarHBondContact O-N 3.06Å; Y1056-F1078 HydrophobicContact CD2-CZ 4.39Å |
| 1057 | F | 87.1 | Confident | 78.7 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 45% | 0.447 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -62.4 | -42.2 | 176.8 | -69.1 | -53.5 | 0 | 0 | 0 | 111.7 | F1053 S1055 Q1061 G1062 | F1053-F1057 HydrophobicContact CB-CD2 4.35Å; F1053-F1057 HydrophobicContact CB-CE2 4.03Å; F1053-F1057 WeakPolarHBondContact O-CD2 3.22Å; F1053-F1057 WeakPolarHBondContact O-CG 3.22Å; F1053-F1057 PolarHBondContact O-N 3.38Å; S1055-F1057 PolarHBondContact O-N 2.71Å; F1057-Q1061 HydrophobicContact CD1-CG 4.37Å; F1057-Q1061 VanDerWaalsContact CD1-OE1 3.27Å; F1057-Q1061 WeakPolarHBondContact O-CB 3.43Å; F1057-Q1061 PolarHBondContact O-N 3.11Å; F1057-G1062 PolarHBondContact O-N 2.94Å |
| 1058 | L | 83.7 | Confident | 76.7 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -66.2 | -42.4 | 176.5 | -66.4 | 173.9 | 0 | 0 | 0 | 112.9 | G1054 S1055 Y1056 F1081 L1151 L1159 | G1054-L1058 VanDerWaalsContact O-CG 3.3Å; G1054-L1058 WeakPolarHBondContact O-CG 3.43Å; G1054-L1058 PolarHBondContact O-N 3.49Å; S1055-L1058 PolarHBondContact O-N 2.86Å; Y1056-L1058 PolarHBondContact O-N 2.81Å; L1058-F1081 HydrophobicContact CD1-CE1 4.4Å; L1058-F1081 HydrophobicContact CD1-CZ 4.46Å; L1058-L1151 HydrophobicContact CD2-CD1 4.02Å; L1058-L1159 HydrophobicContact CD1-CD1 3.75Å; L1058-L1159 HydrophobicContact CD1-CG 4.27Å |
| 1059 | T | 79.2 | Confident | 74.6 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -87.9 | -31.2 | -171.8 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | S1055 Y1056 Q1063 L1072 F1078 F1081 | S1055-T1059 WeakPolarHBondContact O-CG2 3.41Å; S1055-T1059 PolarHBondContact O-N 3.14Å; S1055-T1059 PolarHBondContact O-OG1 2.82Å; S1055-T1059 VanDerWaalsContact O-OG1 3.13Å; Y1056-T1059 PolarHBondContact O-N 3.09Å; T1059-Q1063 WeakPolarHBondContact O-CG 3.49Å; T1059-Q1063 PolarHBondContact O-NE2 3.04Å; T1059-L1072 HydrophobicContact CG2-CD2 3.72Å; T1059-L1072 HydrophobicContact CG2-CG 3.82Å; T1059-F1078 HydrophobicContact CG2-CD2 4.1Å; T1059-F1078 VanDerWaalsContact OG1-CD2 3.27Å; T1059-F1078 WeakPolarHBondContact OG1-CD2 3.21Å; T1059-F1081 HydrophobicContact CG2-CD1 4.09Å; T1059-F1081 HydrophobicContact CG2-CE1 4.41Å |
| 1060 | F | 77.8 | Confident | 72.6 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -106.7 | -40.8 | -175.7 | -69.5 | -78.9 | 0 | 0 | 0 | 113.5 | Y1056 G1073 F1078 | Y1056-F1060 HydrophobicContact CD2-CB 4.37Å; Y1056-F1060 AromaticContact CD2-CD2 3.39Å; Y1056-F1060 HydrophobicContact CD2-CD2 3.39Å; Y1056-F1060 AromaticContact CD2-CE2 3.97Å; Y1056-F1060 HydrophobicContact CD2-CE2 3.97Å; Y1056-F1060 HydrophobicContact CD2-CG 4.14Å; Y1056-F1060 HydrophobicContact CE2-CB 4.09Å; Y1056-F1060 AromaticContact CE2-CD2 3.64Å; Y1056-F1060 HydrophobicContact CE2-CD2 3.64Å; Y1056-F1060 HydrophobicContact CE2-CE2 4.29Å; Y1056-F1060 AromaticContact CE2-CG 3.96Å; Y1056-F1060 HydrophobicContact CE2-CG 3.96Å; Y1056-F1060 HydrophobicContact CG-CD2 4.21Å; Y1056-F1060 WeakPolarHBondContact O-CB 3.48Å; Y1056-F1060 PolarHBondContact O-N 3.06Å; F1060-G1073 VanDerWaalsContact CE1-O 3.23Å; F1060-G1073 WeakPolarHBondContact CE1-O 3.47Å; F1060-G1073 VanDerWaalsContact CZ-O 3.24Å; F1060-G1073 WeakPolarHBondContact CZ-O 3.27Å; F1060-F1078 HydrophobicContact CD2-CD2 4.45Å; F1060-F1078 HydrophobicContact CD2-CE2 4.3Å; F1060-F1078 HydrophobicContact CE2-CD1 4.17Å; F1060-F1078 AromaticContact CE2-CD2 3.77Å; F1060-F1078 HydrophobicContact CE2-CD2 3.77Å; F1060-F1078 HydrophobicContact CE2-CE1 4.25Å; F1060-F1078 AromaticContact CE2-CE2 3.87Å; F1060-F1078 HydrophobicContact CE2-CE2 3.87Å; F1060-F1078 AromaticContact CE2-CG 3.92Å; F1060-F1078 HydrophobicContact CE2-CG 3.92Å; F1060-F1078 HydrophobicContact CE2-CZ 4.09Å; F1060-F1078 HydrophobicContact CZ-CG 4.47Å |
| 1061 | Q | 72.2 | Confident | 71.2 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -88 | -24.2 | 176.9 | -69.5 | -169.1 | -9.3 | 0 | 0 | 113.2 | F1057 Q1063 | F1057-Q1061 HydrophobicContact CD1-CG 4.37Å; F1057-Q1061 VanDerWaalsContact CD1-OE1 3.27Å; F1057-Q1061 WeakPolarHBondContact O-CB 3.43Å; F1057-Q1061 PolarHBondContact O-N 3.11Å; Q1061-Q1063 PolarHBondContact O-N 2.94Å; Q1061-Q1063 VanDerWaalsContact O-N 3.1Å |
| 1062 | G | 61.9 | Low | 70.1 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -71.9 | 10.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1057 G1064 L1069 | F1057-G1062 PolarHBondContact O-N 2.94Å; G1062-G1064 PolarHBondContact O-N 3.33Å; G1062-L1069 WeakPolarHBondContact O-CD2 3.48Å |
| 1063 | Q | 58.2 | Low | 68.9 | Low | 84 Ų | 84 | 67.4 Ų | 67.4 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | trans | -83.3 | 95.1 | -178 | -62.2 | -167 | 9 | 0 | 0 | 111.2 | T1059 Q1061 | T1059-Q1063 WeakPolarHBondContact O-CG 3.49Å; T1059-Q1063 PolarHBondContact O-NE2 3.04Å; Q1061-Q1063 PolarHBondContact O-N 2.94Å; Q1061-Q1063 VanDerWaalsContact O-N 3.1Å | ||
| 1064 | G | 53.6 | Low | 68.3 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | trans | -77 | 154.5 | 158 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1062 D1066 | G1062-G1064 PolarHBondContact O-N 3.33Å; G1064-D1066 PolarHBondContact O-N 3.23Å | ||
| 1065 | D | 50 | Low | 68 | Low | 174 Ų | 174 | 70.7 Ų | 70.7 | 93% | 0.93 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -63.7 | 1.3 | -166.6 | -88.2 | -37.6 | 0 | 0 | 0 | 117.1 | ||
| 1066 | D | 49.6 | Very low | 67.8 | Low | 132 Ų | 132 | 73.3 Ų | 73.3 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -102.6 | 104.5 | -168.7 | -79.1 | -50.4 | 0 | 0 | 0 | 115.7 | G1064 G1068 | G1064-D1066 PolarHBondContact O-N 3.23Å; D1066-G1068 VanDerWaalsContact C-N 3.33Å; D1066-G1068 PolarHBondContact O-N 2.91Å |
| 1067 | N | 50.7 | Low | 67.5 | Low | 165 Ų | 165 | 70.8 Ų | 70.8 | 88% | 0.882 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 20.3 | 135.7 | -71.5 | -46.1 | 0 | 0 | 0 | 121.7 | ||
| 1068 | G | 52.4 | Low | 67.5 | Low | 18 Ų | 18 | 66 Ų | 66 | 19% | 0.186 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -180 | -24.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | D1066 S1070 | D1066-G1068 VanDerWaalsContact C-N 3.33Å; D1066-G1068 PolarHBondContact O-N 2.91Å; G1068-S1070 PolarHBondContact O-N 2.94Å |
| 1069 | L | 51.8 | Low | 67.7 | Low | 53 Ų | 53 | 63.7 Ų | 63.7 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -62.9 | -30.8 | -179.9 | -126.2 | 72.5 | 0 | 0 | 0 | 113 | G1062 K1071 L1072 L1151 | G1062-L1069 WeakPolarHBondContact O-CD2 3.48Å; L1069-K1071 PolarHBondContact O-N 3.46Å; L1069-L1072 WeakPolarHBondContact O-CB 3.43Å; L1069-L1072 PolarHBondContact O-N 3.47Å; L1069-L1072 VanDerWaalsContact O-N 3.08Å; L1069-L1151 HydrophobicContact CD2-CD2 4.12Å; L1069-L1151 HydrophobicContact CG-CD2 4.43Å |
| 1070 | S | 53.6 | Low | 68 | Low | 75 Ų | 75 | 63.6 Ų | 63.6 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -55.6 | -26.1 | -176.2 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | G1068 L1072 G1073 | G1068-S1070 PolarHBondContact O-N 2.94Å; S1070-L1072 PolarHBondContact O-N 2.83Å; S1070-G1073 PolarHBondContact O-N 2.85Å |
| 1071 | K | 64.8 | Low | 68.5 | Low | 134 Ų | 134 | 60.1 Ų | 60.1 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -68.6 | -20.9 | 179.3 | -65.8 | -173.7 | 178.8 | 179 | 0 | 113.6 | L1069 G1073 N1074 I1142 | L1069-K1071 PolarHBondContact O-N 3.46Å; K1071-G1073 VanDerWaalsContact C-N 3.32Å; K1071-G1073 PolarHBondContact O-N 3.12Å; K1071-N1074 WeakPolarHBondContact O-CB 3.47Å; K1071-N1074 PolarHBondContact O-N 3.44Å; K1071-I1142 HydrophobicContact CB-CG2 3.62Å |
| 1072 | L | 70.1 | Confident | 69.4 | Low | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.6 | -27 | -179.8 | -162.6 | 69.6 | 0 | 0 | 0 | 112.6 | T1059 L1069 S1070 N1074 T1143 L1151 T1152 | T1059-L1072 HydrophobicContact CG2-CD2 3.72Å; T1059-L1072 HydrophobicContact CG2-CG 3.82Å; L1069-L1072 WeakPolarHBondContact O-CB 3.43Å; L1069-L1072 PolarHBondContact O-N 3.47Å; L1069-L1072 VanDerWaalsContact O-N 3.08Å; S1070-L1072 PolarHBondContact O-N 2.83Å; L1072-N1074 PolarHBondContact O-N 3.41Å; L1072-T1143 HydrophobicContact CD1-CG2 3.91Å; L1072-L1151 HydrophobicContact CD2-CD2 4.24Å; L1072-T1152 HydrophobicContact CD1-CG2 3.54Å; L1072-T1152 HydrophobicContact CD2-CG2 3.68Å; L1072-T1152 HydrophobicContact CG-CG2 4.29Å |
| 1073 | G | 70.5 | Confident | 70.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -72.8 | -3.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1060 S1070 K1071 L1075 | F1060-G1073 VanDerWaalsContact CE1-O 3.23Å; F1060-G1073 WeakPolarHBondContact CE1-O 3.47Å; F1060-G1073 VanDerWaalsContact CZ-O 3.24Å; F1060-G1073 WeakPolarHBondContact CZ-O 3.27Å; S1070-G1073 PolarHBondContact O-N 2.85Å; K1071-G1073 VanDerWaalsContact C-N 3.32Å; K1071-G1073 PolarHBondContact O-N 3.12Å; G1073-L1075 PolarHBondContact O-N 3.46Å |
| 1074 | N | 79.5 | Confident | 72.2 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -64.9 | 132.1 | 171.3 | -176.9 | -3.1 | 0 | 0 | 0 | 109.9 | K1071 L1072 L1076 C1077 F1078 | K1071-N1074 WeakPolarHBondContact O-CB 3.47Å; K1071-N1074 PolarHBondContact O-N 3.44Å; L1072-N1074 PolarHBondContact O-N 3.41Å; N1074-L1076 PolarHBondContact O-N 3.06Å; N1074-L1076 VanDerWaalsContact O-N 3.08Å; N1074-C1077 HydrophobicContact CB-CB 4.45Å; N1074-C1077 WeakPolarHBondContact O-CA 3.45Å; N1074-C1077 WeakPolarHBondContact O-CB 3.5Å; N1074-C1077 PolarHBondContact O-N 3.03Å; N1074-F1078 PolarHBondContact O-N 3.12Å |
| 1075 | L | 84.3 | Confident | 74 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -48.8 | -41.1 | -175.4 | 179.7 | 59.3 | 0 | 0 | 0 | 113.4 | Y972 Q981 G1073 F1078 G1079 | Y972-L1075 HydrophobicContact CE1-CD1 4.12Å; Y972-L1075 HydrophobicContact CE2-CD1 3.88Å; Y972-L1075 WeakPolarHBondContact OH-CD1 3.43Å; Q981-L1075 HydrophobicContact CG-CD2 3.71Å; G1073-L1075 PolarHBondContact O-N 3.46Å; L1075-F1078 HydrophobicContact CD1-CD1 4.42Å; L1075-F1078 PolarHBondContact O-N 3.27Å; L1075-G1079 PolarHBondContact O-N 3.14Å |
| 1076 | L | 83.7 | Confident | 76 | Confident | 55 Ų | 55 | 37.8 Ų | 37.8 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 178.9 | -66.4 | 93.8 | 0 | 0 | 0 | 112.3 | N1074 N1080 Q1135 T1139 | N1074-L1076 PolarHBondContact O-N 3.06Å; N1074-L1076 VanDerWaalsContact O-N 3.08Å; L1076-N1080 VanDerWaalsContact O-CB 3.24Å; L1076-N1080 WeakPolarHBondContact O-CB 3.29Å; L1076-N1080 PolarHBondContact O-N 2.97Å; L1076-Q1135 HydrophobicContact CD2-CB 3.9Å; L1076-Q1135 WeakPolarHBondContact CD2-O 3.39Å; L1076-T1139 HydrophobicContact CB-CG2 4.33Å |
| 1077 | C | 83 | Confident | 78 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.8 | -41.5 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | N1074 N1080 F1081 T1143 | N1074-C1077 HydrophobicContact CB-CB 4.45Å; N1074-C1077 WeakPolarHBondContact O-CA 3.45Å; N1074-C1077 WeakPolarHBondContact O-CB 3.5Å; N1074-C1077 PolarHBondContact O-N 3.03Å; C1077-N1080 PolarHBondContact O-N 3.27Å; C1077-F1081 WeakPolarHBondContact O-CB 3.27Å; C1077-F1081 PolarHBondContact O-N 2.83Å; C1077-T1143 HydrophobicContact CB-CG2 3.63Å |
| 1078 | F | 86.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 174.4 | 178.5 | -116.5 | 0 | 0 | 0 | 112.4 | V983 F1052 Y1056 T1059 F1060 N1074 L1075 N1080 F1081 I1082 | V983-F1078 HydrophobicContact CG1-CD1 4.45Å; F1052-F1078 HydrophobicContact CD2-CZ 4.37Å; F1052-F1078 AromaticContact CE2-CE1 3.97Å; F1052-F1078 HydrophobicContact CE2-CE1 3.97Å; F1052-F1078 AromaticContact CE2-CZ 3.96Å; F1052-F1078 HydrophobicContact CE2-CZ 3.96Å; F1052-F1078 HydrophobicContact CZ-CZ 4.36Å; Y1056-F1078 HydrophobicContact CD2-CZ 4.39Å; T1059-F1078 HydrophobicContact CG2-CD2 4.1Å; T1059-F1078 VanDerWaalsContact OG1-CD2 3.27Å; T1059-F1078 WeakPolarHBondContact OG1-CD2 3.21Å; F1060-F1078 HydrophobicContact CD2-CD2 4.45Å; F1060-F1078 HydrophobicContact CD2-CE2 4.3Å; F1060-F1078 HydrophobicContact CE2-CD1 4.17Å; F1060-F1078 AromaticContact CE2-CD2 3.77Å; F1060-F1078 HydrophobicContact CE2-CD2 3.77Å; F1060-F1078 HydrophobicContact CE2-CE1 4.25Å; F1060-F1078 AromaticContact CE2-CE2 3.87Å; F1060-F1078 HydrophobicContact CE2-CE2 3.87Å; F1060-F1078 AromaticContact CE2-CG 3.92Å; F1060-F1078 HydrophobicContact CE2-CG 3.92Å; F1060-F1078 HydrophobicContact CE2-CZ 4.09Å; F1060-F1078 HydrophobicContact CZ-CG 4.47Å; N1074-F1078 PolarHBondContact O-N 3.12Å; L1075-F1078 HydrophobicContact CD1-CD1 4.42Å; L1075-F1078 PolarHBondContact O-N 3.27Å; F1078-N1080 PolarHBondContact O-N 3.31Å; F1078-F1081 PolarHBondContact O-N 2.91Å; F1078-I1082 HydrophobicContact CD1-CD1 4.01Å; F1078-I1082 HydrophobicContact CD2-CD1 4.13Å; F1078-I1082 HydrophobicContact CE1-CD1 3.52Å; F1078-I1082 HydrophobicContact CE2-CD1 3.65Å; F1078-I1082 HydrophobicContact CE2-CG1 4.31Å; F1078-I1082 HydrophobicContact CG-CD1 4.3Å; F1078-I1082 HydrophobicContact CZ-CD1 3.34Å; F1078-I1082 HydrophobicContact CZ-CG1 4.45Å; F1078-I1082 PolarHBondContact O-N 3.31Å |
| 1079 | G | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1075 F1081 I1083 | L1075-G1079 PolarHBondContact O-N 3.14Å; G1079-F1081 VanDerWaalsContact C-N 3.33Å; G1079-I1083 WeakPolarHBondContact O-CG2 3.37Å; G1079-I1083 PolarHBondContact O-N 3.1Å; G1079-I1083 VanDerWaalsContact O-N 3.09Å |
| 1080 | N | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.8 | -35.3 | 174 | -159.2 | 36.3 | 0 | 0 | 0 | 112.4 | Y988 L1076 C1077 F1078 I1083 F1084 F1120 N1124 | Y988-N1080 VanDerWaalsContact CE2-OD1 3.24Å; Y988-N1080 WeakPolarHBondContact CE2-OD1 3.17Å; Y988-N1080 PolarHBondContact OH-OD1 3Å; L1076-N1080 VanDerWaalsContact O-CB 3.24Å; L1076-N1080 WeakPolarHBondContact O-CB 3.29Å; L1076-N1080 PolarHBondContact O-N 2.97Å; C1077-N1080 PolarHBondContact O-N 3.27Å; F1078-N1080 PolarHBondContact O-N 3.31Å; N1080-I1083 WeakPolarHBondContact O-CG2 3.28Å; N1080-F1084 PolarHBondContact O-N 3.14Å; N1080-F1120 WeakPolarHBondContact OD1-CE2 3.39Å; N1080-F1120 WeakPolarHBondContact OD1-CZ 3.45Å; N1080-N1124 VanDerWaalsContact CG-OD1 3.3Å; N1080-N1124 PolarHBondContact ND2-OD1 3.43Å; N1080-N1124 PolarHBondContact OD1-OD1 2.87Å; N1080-N1124 VanDerWaalsContact OD1-OD1 3.12Å |
| 1081 | F | 87.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.3 | -48.8 | 177.3 | -174.4 | -123.2 | 0 | 0 | 0 | 111.9 | S1055 L1058 T1059 C1077 F1078 G1079 I1083 F1084 I1085 T1152 I1156 | S1055-F1081 VanDerWaalsContact OG-CD1 3.23Å; S1055-F1081 WeakPolarHBondContact OG-CD1 3.41Å; S1055-F1081 WeakPolarHBondContact OG-CE1 3.41Å; L1058-F1081 HydrophobicContact CD1-CE1 4.4Å; L1058-F1081 HydrophobicContact CD1-CZ 4.46Å; T1059-F1081 HydrophobicContact CG2-CD1 4.09Å; T1059-F1081 HydrophobicContact CG2-CE1 4.41Å; C1077-F1081 WeakPolarHBondContact O-CB 3.27Å; C1077-F1081 PolarHBondContact O-N 2.83Å; F1078-F1081 PolarHBondContact O-N 2.91Å; G1079-F1081 VanDerWaalsContact C-N 3.33Å; F1081-I1083 PolarHBondContact O-N 2.87Å; F1081-F1084 PolarHBondContact O-N 3.44Å; F1081-I1085 HydrophobicContact CD1-CD1 4.04Å; F1081-I1085 HydrophobicContact CD2-CD1 4.36Å; F1081-I1085 HydrophobicContact CE1-CD1 3.75Å; F1081-I1085 HydrophobicContact CE2-CD1 4.1Å; F1081-I1085 HydrophobicContact CG-CD1 4.33Å; F1081-I1085 HydrophobicContact CZ-CD1 3.78Å; F1081-I1085 PolarHBondContact O-N 2.94Å; F1081-T1152 HydrophobicContact CD2-CG2 4.04Å; F1081-T1152 HydrophobicContact CE2-CG2 3.9Å; F1081-T1152 WeakPolarHBondContact CE2-O 3.34Å; F1081-I1156 HydrophobicContact CD2-CD1 4.22Å; F1081-I1156 HydrophobicContact CD2-CG1 4.33Å; F1081-I1156 HydrophobicContact CE2-CD1 3.76Å; F1081-I1156 HydrophobicContact CE2-CG1 3.62Å; F1081-I1156 HydrophobicContact CZ-CG1 4.29Å |
| 1082 | I | 91.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 177.3 | -72.6 | 170 | 0 | 0 | 0 | 111.1 | P968 V983 Y984 F1052 F1078 F1084 I1085 I1086 | P968-I1082 HydrophobicContact CB-CG2 4.24Å; P968-I1082 HydrophobicContact CG-CG2 4.49Å; V983-I1082 HydrophobicContact CG1-CD1 4.4Å; Y984-I1082 HydrophobicContact CE1-CB 4.46Å; Y984-I1082 HydrophobicContact CE1-CG2 3.96Å; F1052-I1082 HydrophobicContact CD2-CD1 3.86Å; F1052-I1082 HydrophobicContact CE2-CD1 4.38Å; F1078-I1082 HydrophobicContact CD1-CD1 4.01Å; F1078-I1082 HydrophobicContact CD2-CD1 4.13Å; F1078-I1082 HydrophobicContact CE1-CD1 3.52Å; F1078-I1082 HydrophobicContact CE2-CD1 3.65Å; F1078-I1082 HydrophobicContact CE2-CG1 4.31Å; F1078-I1082 HydrophobicContact CG-CD1 4.3Å; F1078-I1082 HydrophobicContact CZ-CD1 3.34Å; F1078-I1082 HydrophobicContact CZ-CG1 4.45Å; F1078-I1082 PolarHBondContact O-N 3.31Å; I1082-F1084 VanDerWaalsContact C-N 3.28Å; I1082-F1084 PolarHBondContact O-N 2.94Å; I1082-I1085 PolarHBondContact O-N 3.31Å; I1082-I1086 HydrophobicContact CG2-CD1 3.58Å; I1082-I1086 HydrophobicContact CG2-CG1 4.31Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.49Å; I1082-I1086 PolarHBondContact O-N 3.05Å |
| 1083 | I | 89.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.5 | -32.5 | -175.9 | -161.8 | 176.1 | 0 | 0 | 0 | 112.4 | F965 Y984 Y988 F992 G1079 N1080 F1081 I1086 F1087 F1120 | F965-I1083 HydrophobicContact CE2-CD1 3.89Å; F965-I1083 HydrophobicContact CE2-CG1 4.34Å; Y984-I1083 HydrophobicContact CD1-CB 3.92Å; Y984-I1083 HydrophobicContact CD1-CD1 4.31Å; Y984-I1083 HydrophobicContact CD1-CG1 4.4Å; Y984-I1083 HydrophobicContact CE1-CB 3.81Å; Y984-I1083 HydrophobicContact CE1-CG1 4.32Å; Y988-I1083 VanDerWaalsContact CB-CD1 3.46Å; Y988-I1083 HydrophobicContact CD1-CD1 4.31Å; Y988-I1083 HydrophobicContact CD2-CD1 4.16Å; Y988-I1083 HydrophobicContact CD2-CG2 4.03Å; Y988-I1083 HydrophobicContact CE2-CG2 4.05Å; Y988-I1083 HydrophobicContact CG-CD1 3.76Å; F992-I1083 HydrophobicContact CD2-CD1 4.49Å; G1079-I1083 WeakPolarHBondContact O-CG2 3.37Å; G1079-I1083 PolarHBondContact O-N 3.1Å; G1079-I1083 VanDerWaalsContact O-N 3.09Å; N1080-I1083 WeakPolarHBondContact O-CG2 3.28Å; F1081-I1083 PolarHBondContact O-N 2.87Å; I1083-I1086 PolarHBondContact O-N 3.41Å; I1083-F1087 VanDerWaalsContact O-CB 3.29Å; I1083-F1087 WeakPolarHBondContact O-CB 3.38Å; I1083-F1087 PolarHBondContact O-N 3Å; I1083-F1120 HydrophobicContact CG2-CE2 4.1Å |
| 1084 | F | 89.1 | Confident | 88.7 | Confident | 15 Ų | 15 | 13.2 Ų | 13.2 | 7% | 0.066 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 175 | -169.6 | -99.1 | 0 | 0 | 0 | 111.9 | N1080 F1081 I1082 F1087 L1088 F1120 W1144 I1156 | N1080-F1084 PolarHBondContact O-N 3.14Å; F1081-F1084 PolarHBondContact O-N 3.44Å; I1082-F1084 VanDerWaalsContact C-N 3.28Å; I1082-F1084 PolarHBondContact O-N 2.94Å; F1084-F1087 WeakPolarHBondContact O-CB 3.23Å; F1084-F1087 PolarHBondContact O-N 2.97Å; F1084-L1088 HydrophobicContact CD1-CD1 3.8Å; F1084-L1088 HydrophobicContact CD1-CG 4.29Å; F1084-L1088 HydrophobicContact CE1-CD1 3.48Å; F1084-L1088 VanDerWaalsContact CE1-CD1 3.48Å; F1084-L1088 HydrophobicContact CE1-CG 4.07Å; F1084-L1088 HydrophobicContact CZ-CD1 4.24Å; F1084-L1088 HydrophobicContact CZ-CG 4.47Å; F1084-L1088 WeakPolarHBondContact O-CG 3.29Å; F1084-L1088 PolarHBondContact O-N 3.33Å; F1084-F1120 HydrophobicContact CB-CE1 4.45Å; F1084-F1120 HydrophobicContact CB-CE2 4.25Å; F1084-F1120 HydrophobicContact CB-CZ 3.88Å; F1084-F1120 AromaticContact CD2-CD1 3.72Å; F1084-F1120 HydrophobicContact CD2-CD1 3.72Å; F1084-F1120 HydrophobicContact CD2-CD2 4.29Å; F1084-F1120 AromaticContact CD2-CE1 3.48Å; F1084-F1120 HydrophobicContact CD2-CE1 3.48Å; F1084-F1120 VanDerWaalsContact CD2-CE1 3.48Å; F1084-F1120 HydrophobicContact CD2-CE2 4.09Å; F1084-F1120 HydrophobicContact CD2-CG 4.12Å; F1084-F1120 AromaticContact CD2-CZ 3.69Å; F1084-F1120 HydrophobicContact CD2-CZ 3.69Å; F1084-F1120 AromaticContact CE2-CD1 3.96Å; F1084-F1120 HydrophobicContact CE2-CD1 3.96Å; F1084-F1120 HydrophobicContact CE2-CE1 4.04Å; F1084-F1120 HydrophobicContact CG-CE1 4.24Å; F1084-F1120 HydrophobicContact CG-CZ 4.16Å; F1084-W1144 HydrophobicContact CB-CH2 3.95Å; F1084-W1144 HydrophobicContact CB-CZ2 4.09Å; F1084-W1144 AromaticContact CD1-CH2 3.38Å; F1084-W1144 HydrophobicContact CD1-CH2 3.38Å; F1084-W1144 HydrophobicContact CD1-CZ2 4.25Å; F1084-W1144 HydrophobicContact CD1-CZ3 4.06Å; F1084-W1144 HydrophobicContact CD2-CH2 4.13Å; F1084-W1144 HydrophobicContact CD2-CZ2 4.26Å; F1084-W1144 AromaticContact CE1-CH2 3.77Å; F1084-W1144 HydrophobicContact CE1-CH2 3.77Å; F1084-W1144 HydrophobicContact CE1-CZ3 4.01Å; F1084-W1144 HydrophobicContact CE2-CH2 4.49Å; F1084-W1144 AromaticContact CG-CH2 3.55Å; F1084-W1144 HydrophobicContact CG-CH2 3.55Å; F1084-W1144 AromaticContact CG-CZ2 3.95Å; F1084-W1144 HydrophobicContact CG-CZ2 3.95Å; F1084-W1144 HydrophobicContact CZ-CH2 4.32Å; F1084-I1156 HydrophobicContact CD1-CD1 3.65Å; F1084-I1156 HydrophobicContact CD1-CG1 4.17Å; F1084-I1156 HydrophobicContact CD1-CG2 4.49Å; F1084-I1156 HydrophobicContact CE1-CD1 3.89Å; F1084-I1156 HydrophobicContact CE1-CG2 4.32Å |
| 1085 | I | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.1 | -69.4 | 162.1 | 0 | 0 | 0 | 110.7 | A1051 S1055 F1081 I1082 F1087 L1088 I1089 I1156 L1159 | A1051-I1085 HydrophobicContact CB-CG2 4.02Å; S1055-I1085 VanDerWaalsContact OG-CD1 3.3Å; S1055-I1085 WeakPolarHBondContact OG-CD1 3.2Å; F1081-I1085 HydrophobicContact CD1-CD1 4.04Å; F1081-I1085 HydrophobicContact CD2-CD1 4.36Å; F1081-I1085 HydrophobicContact CE1-CD1 3.75Å; F1081-I1085 HydrophobicContact CE2-CD1 4.1Å; F1081-I1085 HydrophobicContact CG-CD1 4.33Å; F1081-I1085 HydrophobicContact CZ-CD1 3.78Å; F1081-I1085 PolarHBondContact O-N 2.94Å; I1082-I1085 PolarHBondContact O-N 3.31Å; I1085-F1087 PolarHBondContact O-N 3.25Å; I1085-L1088 PolarHBondContact O-N 2.92Å; I1085-I1089 HydrophobicContact CG2-CD1 3.6Å; I1085-I1089 HydrophobicContact CG2-CG1 4.36Å; I1085-I1089 VanDerWaalsContact O-CG1 3.32Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.4Å; I1085-I1089 PolarHBondContact O-N 2.85Å; I1085-I1156 HydrophobicContact CD1-CG1 4.25Å; I1085-I1156 HydrophobicContact CG1-CG1 3.74Å; I1085-L1159 HydrophobicContact CD1-CD1 3.79Å; I1085-L1159 HydrophobicContact CG2-CB 4.49Å |
| 1086 | I | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.8 | -66.6 | 168.2 | 0 | 0 | 0 | 110.9 | I964 P968 Y984 F992 A1051 I1082 I1083 L1088 I1089 V1090 | I964-I1086 HydrophobicContact CD1-CG2 4.21Å; I964-I1086 HydrophobicContact CG1-CG1 4.47Å; I964-I1086 HydrophobicContact CG1-CG2 4.28Å; I964-I1086 HydrophobicContact CG2-CG2 4.18Å; P968-I1086 HydrophobicContact CG-CD1 3.86Å; Y984-I1086 WeakPolarHBondContact OH-CD1 3.3Å; F992-I1086 HydrophobicContact CE2-CG2 3.95Å; F992-I1086 HydrophobicContact CZ-CG2 4.15Å; A1051-I1086 HydrophobicContact CB-CG1 3.97Å; I1082-I1086 HydrophobicContact CG2-CD1 3.58Å; I1082-I1086 HydrophobicContact CG2-CG1 4.31Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.49Å; I1082-I1086 PolarHBondContact O-N 3.05Å; I1083-I1086 PolarHBondContact O-N 3.41Å; I1086-L1088 VanDerWaalsContact C-N 3.33Å; I1086-L1088 PolarHBondContact O-N 3.05Å; I1086-I1089 PolarHBondContact O-N 3.16Å; I1086-V1090 HydrophobicContact CG2-CG2 4.03Å; I1086-V1090 WeakPolarHBondContact O-CB 3.5Å; I1086-V1090 WeakPolarHBondContact O-CG2 3.03Å; I1086-V1090 PolarHBondContact O-N 2.73Å |
| 1087 | F | 90.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 10.4 Ų | 10.4 | 2% | 0.022 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56 | -46.4 | 175.6 | 164.1 | -100.6 | 0 | 0 | 0 | 111.7 | M996 I1083 F1084 I1085 N1091 F1113 N1116 I1117 | M996-F1087 HydrophobicContact CB-CD2 4.12Å; M996-F1087 HydrophobicContact CB-CE2 4.39Å; I1083-F1087 VanDerWaalsContact O-CB 3.29Å; I1083-F1087 WeakPolarHBondContact O-CB 3.38Å; I1083-F1087 PolarHBondContact O-N 3Å; F1084-F1087 WeakPolarHBondContact O-CB 3.23Å; F1084-F1087 PolarHBondContact O-N 2.97Å; I1085-F1087 PolarHBondContact O-N 3.25Å; F1087-N1091 WeakPolarHBondContact CD2-ND2 3.48Å; F1087-N1091 WeakPolarHBondContact CE2-ND2 3.34Å; F1087-N1091 WeakPolarHBondContact O-CB 3.13Å; F1087-N1091 PolarHBondContact O-N 3.37Å; F1087-N1091 PolarHBondContact O-ND2 3.22Å; F1087-F1113 HydrophobicContact CE1-CD2 4.23Å; F1087-F1113 AromaticContact CE1-CE2 3.78Å; F1087-F1113 HydrophobicContact CE1-CE2 3.78Å; F1087-F1113 HydrophobicContact CE1-CZ 4.38Å; F1087-F1113 AromaticContact CZ-CD2 3.85Å; F1087-F1113 HydrophobicContact CZ-CD2 3.85Å; F1087-F1113 AromaticContact CZ-CE2 3.88Å; F1087-F1113 HydrophobicContact CZ-CE2 3.88Å; F1087-N1116 HydrophobicContact CE2-CB 3.53Å; F1087-N1116 HydrophobicContact CZ-CB 3.6Å; F1087-I1117 HydrophobicContact CE1-CG1 3.99Å; F1087-I1117 HydrophobicContact CZ-CG1 4.35Å |
| 1088 | L | 90.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 11 Ų | 11 | 11% | 0.105 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.7 | -52.3 | 177.6 | -71 | 177.3 | 0 | 0 | 0 | 112.3 | F1084 I1085 I1086 V1090 N1091 I1092 F1113 I1156 T1160 | F1084-L1088 HydrophobicContact CD1-CD1 3.8Å; F1084-L1088 HydrophobicContact CD1-CG 4.29Å; F1084-L1088 HydrophobicContact CE1-CD1 3.48Å; F1084-L1088 VanDerWaalsContact CE1-CD1 3.48Å; F1084-L1088 HydrophobicContact CE1-CG 4.07Å; F1084-L1088 HydrophobicContact CZ-CD1 4.24Å; F1084-L1088 HydrophobicContact CZ-CG 4.47Å; F1084-L1088 WeakPolarHBondContact O-CG 3.29Å; F1084-L1088 PolarHBondContact O-N 3.33Å; I1085-L1088 PolarHBondContact O-N 2.92Å; I1086-L1088 VanDerWaalsContact C-N 3.33Å; I1086-L1088 PolarHBondContact O-N 3.05Å; L1088-V1090 VanDerWaalsContact C-N 3.3Å; L1088-V1090 PolarHBondContact O-N 3.26Å; L1088-N1091 PolarHBondContact O-N 2.66Å; L1088-I1092 HydrophobicContact CB-CD1 4.41Å; L1088-I1092 WeakPolarHBondContact O-CB 3.48Å; L1088-I1092 VanDerWaalsContact O-CG1 3.27Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.39Å; L1088-I1092 PolarHBondContact O-N 2.82Å; L1088-F1113 HydrophobicContact CD2-CE2 3.94Å; L1088-F1113 HydrophobicContact CD2-CZ 3.59Å; L1088-I1156 HydrophobicContact CD1-CG2 3.34Å; L1088-T1160 HydrophobicContact CB-CG2 4.5Å |
| 1089 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | 178.7 | -68.2 | 165.7 | 0 | 0 | 0 | 110.5 | I964 H1047 I1085 I1086 K1093 T1160 A1163 L1164 | I964-I1089 HydrophobicContact CD1-CG2 4.1Å; H1047-I1089 HydrophobicContact CB-CG2 4.18Å; I1085-I1089 HydrophobicContact CG2-CD1 3.6Å; I1085-I1089 HydrophobicContact CG2-CG1 4.36Å; I1085-I1089 VanDerWaalsContact O-CG1 3.32Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.4Å; I1085-I1089 PolarHBondContact O-N 2.85Å; I1086-I1089 PolarHBondContact O-N 3.16Å; I1089-K1093 VanDerWaalsContact O-CB 3.24Å; I1089-K1093 WeakPolarHBondContact O-CB 3.1Å; I1089-K1093 PolarHBondContact O-N 3.25Å; I1089-T1160 HydrophobicContact CG1-CG2 4.2Å; I1089-A1163 HydrophobicContact CD1-CB 3.54Å; I1089-A1163 HydrophobicContact CG1-CB 4.05Å; I1089-L1164 HydrophobicContact CG2-CD2 4.06Å |
| 1090 | V | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | -178.7 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | Y957 Y960 K961 I964 T997 I1086 L1088 V1094 | Y957-V1090 HydrophobicContact CE2-CG1 4.46Å; Y957-V1090 WeakPolarHBondContact OH-CG1 3.22Å; Y957-V1090 PolarHBondContact OH-O 3.16Å; Y957-V1090 VanDerWaalsContact OH-O 3.12Å; Y960-V1090 HydrophobicContact CE1-CG2 4.2Å; K961-V1090 HydrophobicContact CB-CG1 4.1Å; I964-V1090 HydrophobicContact CD1-CG2 4.17Å; I964-V1090 HydrophobicContact CG2-CG2 3.81Å; T997-V1090 HydrophobicContact CG2-CG1 3.8Å; I1086-V1090 HydrophobicContact CG2-CG2 4.03Å; I1086-V1090 WeakPolarHBondContact O-CB 3.5Å; I1086-V1090 WeakPolarHBondContact O-CG2 3.03Å; I1086-V1090 PolarHBondContact O-N 2.73Å; L1088-V1090 VanDerWaalsContact C-N 3.3Å; L1088-V1090 PolarHBondContact O-N 3.26Å; V1090-V1094 PolarHBondContact O-N 3.09Å |
| 1091 | N | 89.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.5 | -41.2 | 179.5 | -83.5 | -94.1 | 0 | 0 | 0 | 113.4 | P1000 F1087 L1088 K1093 V1094 W1109 F1113 | P1000-N1091 VanDerWaalsContact CG-OD1 3.31Å; P1000-N1091 WeakPolarHBondContact CG-OD1 3.35Å; F1087-N1091 WeakPolarHBondContact CD2-ND2 3.48Å; F1087-N1091 WeakPolarHBondContact CE2-ND2 3.34Å; F1087-N1091 WeakPolarHBondContact O-CB 3.13Å; F1087-N1091 PolarHBondContact O-N 3.37Å; F1087-N1091 PolarHBondContact O-ND2 3.22Å; L1088-N1091 PolarHBondContact O-N 2.66Å; N1091-K1093 VanDerWaalsContact C-N 3.33Å; N1091-V1094 WeakPolarHBondContact O-CB 3.45Å; N1091-V1094 PolarHBondContact O-N 3.47Å; N1091-W1109 HydrophobicContact CB-CZ2 4.34Å; N1091-F1113 HydrophobicContact CB-CD2 4.01Å; N1091-F1113 HydrophobicContact CB-CE2 3.98Å |
| 1092 | I | 90.6 | Very high | 88.4 | Confident | 52 Ų | 52 | 25.3 Ų | 25.3 | 27% | 0.267 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 177.7 | -65.6 | 164.3 | 0 | 0 | 0 | 110.1 | L1088 V1094 L1095 L1096 T1160 L1164 | L1088-I1092 HydrophobicContact CB-CD1 4.41Å; L1088-I1092 WeakPolarHBondContact O-CB 3.48Å; L1088-I1092 VanDerWaalsContact O-CG1 3.27Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.39Å; L1088-I1092 PolarHBondContact O-N 2.82Å; I1092-V1094 VanDerWaalsContact C-N 3.26Å; I1092-V1094 PolarHBondContact O-N 2.75Å; I1092-L1095 WeakPolarHBondContact O-CB 3.22Å; I1092-L1095 PolarHBondContact O-N 3.45Å; I1092-L1096 HydrophobicContact CG2-CD1 4.41Å; I1092-L1096 HydrophobicContact CG2-CG 4.35Å; I1092-L1096 PolarHBondContact O-N 3.03Å; I1092-T1160 HydrophobicContact CD1-CG2 3.74Å; I1092-L1164 HydrophobicContact CB-CD1 4.02Å; I1092-L1164 HydrophobicContact CD1-CD1 4.38Å; I1092-L1164 HydrophobicContact CG2-CD1 3.54Å |
| 1093 | K | 92 | Very high | 88 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -36 | 175.6 | -170 | -176.4 | 178.7 | 71.9 | 0 | 112.6 | Y960 I1089 N1091 L1095 L1096 I1097 D1167 | Y960-K1093 HydrophobicContact CD1-CD 4.11Å; Y960-K1093 HydrophobicContact CE1-CD 3.42Å; Y960-K1093 VanDerWaalsContact CE1-CD 3.42Å; Y960-K1093 HydrophobicContact CE2-CD 3.9Å; Y960-K1093 WeakPolarHBondContact OH-CD 3.36Å; I1089-K1093 VanDerWaalsContact O-CB 3.24Å; I1089-K1093 WeakPolarHBondContact O-CB 3.1Å; I1089-K1093 PolarHBondContact O-N 3.25Å; N1091-K1093 VanDerWaalsContact C-N 3.33Å; K1093-L1095 VanDerWaalsContact C-N 3.3Å; K1093-L1095 PolarHBondContact O-N 3.34Å; K1093-L1096 PolarHBondContact O-N 2.99Å; K1093-I1097 HydrophobicContact CG-CD1 3.85Å; K1093-I1097 HydrophobicContact CG-CG1 4.43Å; K1093-I1097 VanDerWaalsContact O-CD1 3.26Å; K1093-I1097 WeakPolarHBondContact O-CD1 3.44Å; K1093-I1097 VanDerWaalsContact O-CG1 3.24Å; K1093-I1097 WeakPolarHBondContact O-CG1 3.46Å; K1093-I1097 PolarHBondContact O-N 3.23Å; K1093-D1167 IonicContact NZ-OD1 2.77Å; K1093-D1167 PolarHBondContact NZ-OD1 3.15Å; K1093-D1167 IonicContact NZ-OD2 2.63Å; K1093-D1167 PolarHBondContact NZ-OD2 3.44Å |
| 1094 | V | 89.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 173.3 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | Y957 P1000 V1090 N1091 I1092 I1097 S1098 | Y957-V1094 HydrophobicContact CD2-CG2 4.43Å; Y957-V1094 HydrophobicContact CE1-CG2 4.37Å; Y957-V1094 HydrophobicContact CE2-CG2 3.46Å; Y957-V1094 VanDerWaalsContact CE2-CG2 3.46Å; Y957-V1094 VanDerWaalsContact CZ-CG2 3.4Å; Y957-V1094 WeakPolarHBondContact OH-CG2 3.32Å; P1000-V1094 HydrophobicContact CB-CG2 4.49Å; V1090-V1094 PolarHBondContact O-N 3.09Å; N1091-V1094 WeakPolarHBondContact O-CB 3.45Å; N1091-V1094 PolarHBondContact O-N 3.47Å; I1092-V1094 VanDerWaalsContact C-N 3.26Å; I1092-V1094 PolarHBondContact O-N 2.75Å; V1094-I1097 PolarHBondContact O-N 3.49Å; V1094-S1098 PolarHBondContact O-N 2.72Å; V1094-S1098 VanDerWaalsContact O-N 3.15Å; V1094-S1098 PolarHBondContact O-OG 3.33Å |
| 1095 | L | 87.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 176.6 | -66 | 179.7 | 0 | 0 | 0 | 111.8 | I1092 K1093 I1097 S1098 L1101 L1106 W1109 | I1092-L1095 WeakPolarHBondContact O-CB 3.22Å; I1092-L1095 PolarHBondContact O-N 3.45Å; K1093-L1095 VanDerWaalsContact C-N 3.3Å; K1093-L1095 PolarHBondContact O-N 3.34Å; L1095-I1097 PolarHBondContact O-N 2.91Å; L1095-S1098 PolarHBondContact O-N 3.4Å; L1095-S1098 VanDerWaalsContact O-N 3.13Å; L1095-L1101 HydrophobicContact CD2-CD2 3.96Å; L1095-L1106 HydrophobicContact CD2-CD2 4.46Å; L1095-W1109 HydrophobicContact CD1-CD2 4.14Å; L1095-W1109 HydrophobicContact CD1-CE3 4.17Å; L1095-W1109 HydrophobicContact CD1-CH2 3.59Å; L1095-W1109 HydrophobicContact CD1-CZ2 3.47Å; L1095-W1109 VanDerWaalsContact CD1-CZ2 3.47Å; L1095-W1109 HydrophobicContact CD1-CZ3 3.93Å; L1095-W1109 HydrophobicContact CD2-CD2 3.87Å; L1095-W1109 HydrophobicContact CD2-CE3 4.42Å; L1095-W1109 HydrophobicContact CD2-CG 4.01Å; L1095-W1109 HydrophobicContact CD2-CZ2 4.44Å; L1095-W1109 HydrophobicContact CG-CD2 4.19Å; L1095-W1109 HydrophobicContact CG-CH2 4.43Å; L1095-W1109 HydrophobicContact CG-CZ2 3.83Å |
| 1096 | L | 88.7 | Confident | 87 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -28.8 | 177.9 | -64.7 | 179.4 | 0 | 0 | 0 | 113.5 | I1092 K1093 L1164 D1167 L1168 R1171 | I1092-L1096 HydrophobicContact CG2-CD1 4.41Å; I1092-L1096 HydrophobicContact CG2-CG 4.35Å; I1092-L1096 PolarHBondContact O-N 3.03Å; K1093-L1096 PolarHBondContact O-N 2.99Å; L1096-L1164 HydrophobicContact CD1-CD2 4.07Å; L1096-D1167 HydrophobicContact CD1-CB 4.17Å; L1096-L1168 HydrophobicContact CD1-CD2 4.34Å; L1096-L1168 HydrophobicContact CD2-CD2 3.71Å; L1096-R1171 PolarHBondContact O-NH1 3.24Å |
| 1097 | I | 87.9 | Confident | 86.6 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.2 | -28.7 | 176.2 | -62.6 | 155 | 0 | 0 | 0 | 111.5 | I953 Y957 Y1004 W1040 K1093 V1094 L1095 Y1099 R1171 | I953-I1097 HydrophobicContact CG2-CG2 3.87Å; Y957-I1097 HydrophobicContact CD2-CD1 4.26Å; Y1004-I1097 HydrophobicContact CE2-CG2 4.02Å; W1040-I1097 HydrophobicContact CH2-CD1 3.47Å; W1040-I1097 VanDerWaalsContact CH2-CD1 3.47Å; W1040-I1097 HydrophobicContact CH2-CG1 4.33Å; W1040-I1097 HydrophobicContact CZ2-CD1 4.28Å; W1040-I1097 HydrophobicContact CZ3-CD1 4.22Å; K1093-I1097 HydrophobicContact CG-CD1 3.85Å; K1093-I1097 HydrophobicContact CG-CG1 4.43Å; K1093-I1097 VanDerWaalsContact O-CD1 3.26Å; K1093-I1097 WeakPolarHBondContact O-CD1 3.44Å; K1093-I1097 VanDerWaalsContact O-CG1 3.24Å; K1093-I1097 WeakPolarHBondContact O-CG1 3.46Å; K1093-I1097 PolarHBondContact O-N 3.23Å; V1094-I1097 PolarHBondContact O-N 3.49Å; L1095-I1097 PolarHBondContact O-N 2.91Å; I1097-Y1099 WeakPolarHBondContact O-CD2 3.31Å; I1097-Y1099 PolarHBondContact O-N 3.19Å; I1097-R1171 PolarHBondContact O-NH1 3.43Å |
| 1098 | S | 87.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | trans | -70.9 | 126.5 | -173.1 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | Y1004 E1008 V1094 L1095 | Y1004-S1098 WeakPolarHBondContact CD2-OG 3.34Å; E1008-S1098 WeakPolarHBondContact OE1-CA 3.3Å; V1094-S1098 PolarHBondContact O-N 2.72Å; V1094-S1098 VanDerWaalsContact O-N 3.15Å; V1094-S1098 PolarHBondContact O-OG 3.33Å; L1095-S1098 PolarHBondContact O-N 3.4Å; L1095-S1098 VanDerWaalsContact O-N 3.13Å | ||
| 1099 | Y | 83.6 | Confident | 86.1 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -91.5 | -33.9 | 170.2 | -72.3 | -101.6 | 0 | 0 | 0 | 111.7 | E1008 I1097 L1101 R1171 D1175 | E1008-Y1099 PolarHBondContact OE1-N 3.09Å; E1008-Y1099 PolarHBondContact OE2-N 3.42Å; I1097-Y1099 WeakPolarHBondContact O-CD2 3.31Å; I1097-Y1099 PolarHBondContact O-N 3.19Å; Y1099-L1101 PolarHBondContact O-N 2.85Å; Y1099-R1171 VanDerWaalsContact CE2-NH1 3.34Å; Y1099-R1171 VanDerWaalsContact CZ-CZ 3.48Å; Y1099-D1175 VanDerWaalsContact CE1-OD1 3.25Å; Y1099-D1175 WeakPolarHBondContact CE1-OD1 3.24Å; Y1099-D1175 PolarHBondContact OH-OD1 3.5Å |
| 1100 | Y | 81 | Confident | 85.8 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 35% | 0.349 | 25% | 0.245 | S | C | . | . | trans | -104 | 67.1 | -170.8 | -164.4 | -121.9 | 0 | 0 | 0 | 113.6 | E1008 I1009 N1102 | E1008-Y1100 WeakPolarHBondContact OE2-CB 3.22Å; E1008-Y1100 PolarHBondContact OE2-N 3.44Å; I1009-Y1100 HydrophobicContact CB-CD1 4.17Å; I1009-Y1100 HydrophobicContact CB-CD2 4.43Å; I1009-Y1100 HydrophobicContact CB-CG 4Å; I1009-Y1100 HydrophobicContact CD1-CD1 4.08Å; I1009-Y1100 HydrophobicContact CD1-CE1 3.88Å; I1009-Y1100 HydrophobicContact CG1-CD1 4.04Å; I1009-Y1100 HydrophobicContact CG1-CE1 4.35Å; I1009-Y1100 HydrophobicContact CG1-CG 4.39Å; Y1100-N1102 VanDerWaalsContact C-N 3.27Å; Y1100-N1102 HydrophobicContact CE1-CB 4.47Å; Y1100-N1102 WeakPolarHBondContact CE1-ND2 3.28Å; Y1100-N1102 WeakPolarHBondContact CE2-OD1 3.43Å; Y1100-N1102 VanDerWaalsContact CZ-CG 3.43Å; Y1100-N1102 VanDerWaalsContact CZ-OD1 3.23Å; Y1100-N1102 PolarHBondContact O-N 3.38Å; Y1100-N1102 PolarHBondContact OH-ND2 2.83Å; Y1100-N1102 PolarHBondContact OH-OD1 2.83Å | ||
| 1101 | L | 78.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | trans | -79.7 | 67.6 | 178.7 | -64.5 | 178.9 | 0 | 0 | 0 | 112.7 | L1095 Y1099 L1106 | L1095-L1101 HydrophobicContact CD2-CD2 3.96Å; Y1099-L1101 PolarHBondContact O-N 2.85Å; L1101-L1106 HydrophobicContact CB-CD1 4.21Å; L1101-L1106 HydrophobicContact CB-CD2 4.2Å; L1101-L1106 HydrophobicContact CB-CG 4.15Å; L1101-L1106 HydrophobicContact CD1-CD2 4.4Å; L1101-L1106 HydrophobicContact CD2-CD2 3.96Å; L1101-L1106 HydrophobicContact CG-CD2 4.42Å | ||
| 1102 | N | 78.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | trans | -61.5 | 150.6 | 168 | -90.7 | -2.3 | 0 | 0 | 0 | 111.7 | Y1100 I1104 V1105 L1106 | Y1100-N1102 VanDerWaalsContact C-N 3.27Å; Y1100-N1102 HydrophobicContact CE1-CB 4.47Å; Y1100-N1102 WeakPolarHBondContact CE1-ND2 3.28Å; Y1100-N1102 WeakPolarHBondContact CE2-OD1 3.43Å; Y1100-N1102 VanDerWaalsContact CZ-CG 3.43Å; Y1100-N1102 VanDerWaalsContact CZ-OD1 3.23Å; Y1100-N1102 PolarHBondContact O-N 3.38Å; Y1100-N1102 PolarHBondContact OH-ND2 2.83Å; Y1100-N1102 PolarHBondContact OH-OD1 2.83Å; N1102-I1104 PolarHBondContact O-N 2.95Å; N1102-I1104 VanDerWaalsContact O-N 3.14Å; N1102-V1105 HydrophobicContact CB-CB 4.39Å; N1102-V1105 HydrophobicContact CB-CG2 4.07Å; N1102-V1105 PolarHBondContact O-N 3.03Å; N1102-L1106 PolarHBondContact O-N 3.34Å | ||
| 1103 | W | 83.9 | Confident | 85 | Confident | 174 Ų | 174 | 55 Ų | 55 | 66% | 0.659 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -55.3 | -34.7 | 175.6 | 76.1 | -94.7 | 0 | 0 | 0 | 113.1 | L1107 | W1103-L1107 HydrophobicContact CZ3-CD2 4.05Å; W1103-L1107 WeakPolarHBondContact O-CB 3.25Å; W1103-L1107 PolarHBondContact O-N 3.43Å |
| 1104 | I | 81 | Confident | 84.8 | Confident | 76 Ų | 76 | 60 Ų | 60 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 174.6 | -58.5 | 177.7 | 0 | 0 | 0 | 110.9 | N1102 L1107 I1108 | N1102-I1104 PolarHBondContact O-N 2.95Å; N1102-I1104 VanDerWaalsContact O-N 3.14Å; I1104-L1107 PolarHBondContact O-N 3.24Å; I1104-I1108 HydrophobicContact CG2-CD1 3.73Å; I1104-I1108 HydrophobicContact CG2-CG1 4.38Å; I1104-I1108 VanDerWaalsContact O-CG1 3.25Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.42Å; I1104-I1108 PolarHBondContact O-N 3.43Å |
| 1105 | V | 81.2 | Confident | 84.6 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 179.7 | 177.2 | 0 | 0 | 0 | 0 | 110 | F1007 N1102 I1108 W1109 | F1007-V1105 HydrophobicContact CB-CG2 3.71Å; F1007-V1105 HydrophobicContact CD2-CG2 4.31Å; F1007-V1105 HydrophobicContact CG-CG2 4.05Å; N1102-V1105 HydrophobicContact CB-CB 4.39Å; N1102-V1105 HydrophobicContact CB-CG2 4.07Å; N1102-V1105 PolarHBondContact O-N 3.03Å; V1105-I1108 PolarHBondContact O-N 2.93Å; V1105-W1109 WeakPolarHBondContact O-CB 3.01Å; V1105-W1109 PolarHBondContact O-N 3.46Å |
| 1106 | L | 84.8 | Confident | 84.3 | Confident | 65 Ų | 65 | 61 Ų | 61 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 174 | -72.2 | 171.5 | 0 | 0 | 0 | 112.3 | L1095 L1101 N1102 S1110 | L1095-L1106 HydrophobicContact CD2-CD2 4.46Å; L1101-L1106 HydrophobicContact CB-CD1 4.21Å; L1101-L1106 HydrophobicContact CB-CD2 4.2Å; L1101-L1106 HydrophobicContact CB-CG 4.15Å; L1101-L1106 HydrophobicContact CD1-CD2 4.4Å; L1101-L1106 HydrophobicContact CD2-CD2 3.96Å; L1101-L1106 HydrophobicContact CG-CD2 4.42Å; N1102-L1106 PolarHBondContact O-N 3.34Å; L1106-S1110 WeakPolarHBondContact O-CB 3.39Å; L1106-S1110 PolarHBondContact O-N 3.45Å; L1106-S1110 PolarHBondContact O-OG 3.05Å |
| 1107 | L | 86.2 | Confident | 84.1 | Confident | 104 Ų | 104 | 60.9 Ų | 60.9 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 176.5 | -179.6 | 70.2 | 0 | 0 | 0 | 111.4 | W1103 I1104 S1110 L1111 | W1103-L1107 HydrophobicContact CZ3-CD2 4.05Å; W1103-L1107 WeakPolarHBondContact O-CB 3.25Å; W1103-L1107 PolarHBondContact O-N 3.43Å; I1104-L1107 PolarHBondContact O-N 3.24Å; L1107-S1110 PolarHBondContact O-N 3.31Å; L1107-L1111 WeakPolarHBondContact O-CB 3.17Å; L1107-L1111 PolarHBondContact O-N 2.89Å |
| 1108 | I | 83.3 | Confident | 83.9 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | -179 | -53.9 | 163.5 | 0 | 0 | 0 | 110.4 | L1003 I1104 V1105 L1111 A1112 | L1003-I1108 HydrophobicContact CD1-CB 4.17Å; L1003-I1108 HydrophobicContact CD1-CG2 3.5Å; L1003-I1108 HydrophobicContact CD2-CB 4.42Å; L1003-I1108 HydrophobicContact CD2-CG2 3.72Å; L1003-I1108 HydrophobicContact CG-CG2 4.27Å; I1104-I1108 HydrophobicContact CG2-CD1 3.73Å; I1104-I1108 HydrophobicContact CG2-CG1 4.38Å; I1104-I1108 VanDerWaalsContact O-CG1 3.25Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.42Å; I1104-I1108 PolarHBondContact O-N 3.43Å; V1105-I1108 PolarHBondContact O-N 2.93Å; I1108-L1111 PolarHBondContact O-N 3.16Å; I1108-A1112 VanDerWaalsContact O-CB 3.31Å; I1108-A1112 WeakPolarHBondContact O-CB 3.18Å; I1108-A1112 PolarHBondContact O-N 3.26Å |
| 1109 | W | 86.1 | Confident | 83.7 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 171.8 | -179.5 | 96.2 | 0 | 0 | 0 | 111.3 | N1091 L1095 V1105 L1111 A1112 F1113 | N1091-W1109 HydrophobicContact CB-CZ2 4.34Å; L1095-W1109 HydrophobicContact CD1-CD2 4.14Å; L1095-W1109 HydrophobicContact CD1-CE3 4.17Å; L1095-W1109 HydrophobicContact CD1-CH2 3.59Å; L1095-W1109 HydrophobicContact CD1-CZ2 3.47Å; L1095-W1109 VanDerWaalsContact CD1-CZ2 3.47Å; L1095-W1109 HydrophobicContact CD1-CZ3 3.93Å; L1095-W1109 HydrophobicContact CD2-CD2 3.87Å; L1095-W1109 HydrophobicContact CD2-CE3 4.42Å; L1095-W1109 HydrophobicContact CD2-CG 4.01Å; L1095-W1109 HydrophobicContact CD2-CZ2 4.44Å; L1095-W1109 HydrophobicContact CG-CD2 4.19Å; L1095-W1109 HydrophobicContact CG-CH2 4.43Å; L1095-W1109 HydrophobicContact CG-CZ2 3.83Å; V1105-W1109 WeakPolarHBondContact O-CB 3.01Å; V1105-W1109 PolarHBondContact O-N 3.46Å; W1109-L1111 VanDerWaalsContact C-N 3.34Å; W1109-L1111 PolarHBondContact O-N 3.41Å; W1109-A1112 WeakPolarHBondContact O-CB 3.39Å; W1109-A1112 PolarHBondContact O-N 3.17Å; W1109-F1113 HydrophobicContact CE3-CB 4.35Å; W1109-F1113 HydrophobicContact CH2-CB 4.11Å; W1109-F1113 HydrophobicContact CH2-CD1 4.1Å; W1109-F1113 AromaticContact CH2-CD2 3.85Å; W1109-F1113 HydrophobicContact CH2-CD2 3.85Å; W1109-F1113 HydrophobicContact CH2-CE1 4.46Å; W1109-F1113 HydrophobicContact CH2-CE2 4.25Å; W1109-F1113 AromaticContact CH2-CG 3.76Å; W1109-F1113 HydrophobicContact CH2-CG 3.76Å; W1109-F1113 HydrophobicContact CZ2-CB 4.38Å; W1109-F1113 AromaticContact CZ2-CD2 3.91Å; W1109-F1113 HydrophobicContact CZ2-CD2 3.91Å; W1109-F1113 HydrophobicContact CZ2-CE2 4.42Å; W1109-F1113 HydrophobicContact CZ2-CG 4.18Å; W1109-F1113 HydrophobicContact CZ3-CB 4.11Å; W1109-F1113 HydrophobicContact CZ3-CD1 4.32Å; W1109-F1113 HydrophobicContact CZ3-CG 4.13Å; W1109-F1113 VanDerWaalsContact O-CB 3.3Å; W1109-F1113 WeakPolarHBondContact O-CB 3.4Å; W1109-F1113 PolarHBondContact O-N 3.04Å |
| 1110 | S | 87.2 | Confident | 83.6 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | L1106 L1107 F1113 L1114 | L1106-S1110 WeakPolarHBondContact O-CB 3.39Å; L1106-S1110 PolarHBondContact O-N 3.45Å; L1106-S1110 PolarHBondContact O-OG 3.05Å; L1107-S1110 PolarHBondContact O-N 3.31Å; S1110-F1113 PolarHBondContact O-N 3.43Å; S1110-L1114 VanDerWaalsContact O-CB 3.32Å; S1110-L1114 WeakPolarHBondContact O-CB 3.32Å; S1110-L1114 WeakPolarHBondContact O-CG 3.24Å; S1110-L1114 PolarHBondContact O-N 2.84Å |
| 1111 | L | 86.8 | Confident | 83.6 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 173.9 | -178.6 | 61.9 | 0 | 0 | 0 | 111.6 | L1107 I1108 W1109 F1113 L1114 V1115 | L1107-L1111 WeakPolarHBondContact O-CB 3.17Å; L1107-L1111 PolarHBondContact O-N 2.89Å; I1108-L1111 PolarHBondContact O-N 3.16Å; W1109-L1111 VanDerWaalsContact C-N 3.34Å; W1109-L1111 PolarHBondContact O-N 3.41Å; L1111-F1113 PolarHBondContact O-N 3.41Å; L1111-L1114 PolarHBondContact O-N 3.27Å; L1111-V1115 HydrophobicContact CD1-CG2 4.3Å; L1111-V1115 WeakPolarHBondContact O-CB 3.38Å; L1111-V1115 VanDerWaalsContact O-CG2 3.24Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.49Å; L1111-V1115 PolarHBondContact O-N 3.17Å |
| 1112 | A | 83.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L999 I1108 W1109 V1115 N1116 | L999-A1112 HydrophobicContact CD2-CB 3.64Å; L999-A1112 HydrophobicContact CG-CB 4.06Å; I1108-A1112 VanDerWaalsContact O-CB 3.31Å; I1108-A1112 WeakPolarHBondContact O-CB 3.18Å; I1108-A1112 PolarHBondContact O-N 3.26Å; W1109-A1112 WeakPolarHBondContact O-CB 3.39Å; W1109-A1112 PolarHBondContact O-N 3.17Å; A1112-V1115 PolarHBondContact O-N 3.28Å; A1112-N1116 WeakPolarHBondContact O-CB 3.31Å; A1112-N1116 VanDerWaalsContact O-CG 3.23Å; A1112-N1116 PolarHBondContact O-N 3.34Å; A1112-N1116 PolarHBondContact O-ND2 2.96Å; A1112-N1116 VanDerWaalsContact O-ND2 3.13Å |
| 1113 | F | 85.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.5 | -171.6 | -105.7 | 0 | 0 | 0 | 111.6 | F1087 L1088 N1091 W1109 S1110 L1111 N1116 I1117 | F1087-F1113 HydrophobicContact CE1-CD2 4.23Å; F1087-F1113 AromaticContact CE1-CE2 3.78Å; F1087-F1113 HydrophobicContact CE1-CE2 3.78Å; F1087-F1113 HydrophobicContact CE1-CZ 4.38Å; F1087-F1113 AromaticContact CZ-CD2 3.85Å; F1087-F1113 HydrophobicContact CZ-CD2 3.85Å; F1087-F1113 AromaticContact CZ-CE2 3.88Å; F1087-F1113 HydrophobicContact CZ-CE2 3.88Å; L1088-F1113 HydrophobicContact CD2-CE2 3.94Å; L1088-F1113 HydrophobicContact CD2-CZ 3.59Å; N1091-F1113 HydrophobicContact CB-CD2 4.01Å; N1091-F1113 HydrophobicContact CB-CE2 3.98Å; W1109-F1113 HydrophobicContact CE3-CB 4.35Å; W1109-F1113 HydrophobicContact CH2-CB 4.11Å; W1109-F1113 HydrophobicContact CH2-CD1 4.1Å; W1109-F1113 AromaticContact CH2-CD2 3.85Å; W1109-F1113 HydrophobicContact CH2-CD2 3.85Å; W1109-F1113 HydrophobicContact CH2-CE1 4.46Å; W1109-F1113 HydrophobicContact CH2-CE2 4.25Å; W1109-F1113 AromaticContact CH2-CG 3.76Å; W1109-F1113 HydrophobicContact CH2-CG 3.76Å; W1109-F1113 HydrophobicContact CZ2-CB 4.38Å; W1109-F1113 AromaticContact CZ2-CD2 3.91Å; W1109-F1113 HydrophobicContact CZ2-CD2 3.91Å; W1109-F1113 HydrophobicContact CZ2-CE2 4.42Å; W1109-F1113 HydrophobicContact CZ2-CG 4.18Å; W1109-F1113 HydrophobicContact CZ3-CB 4.11Å; W1109-F1113 HydrophobicContact CZ3-CD1 4.32Å; W1109-F1113 HydrophobicContact CZ3-CG 4.13Å; W1109-F1113 VanDerWaalsContact O-CB 3.3Å; W1109-F1113 WeakPolarHBondContact O-CB 3.4Å; W1109-F1113 PolarHBondContact O-N 3.04Å; S1110-F1113 PolarHBondContact O-N 3.43Å; L1111-F1113 PolarHBondContact O-N 3.41Å; F1113-N1116 PolarHBondContact O-N 3.11Å; F1113-I1117 HydrophobicContact CD1-CD1 3.76Å; F1113-I1117 HydrophobicContact CE1-CD1 3.39Å; F1113-I1117 HydrophobicContact CE1-CG1 4.48Å; F1113-I1117 HydrophobicContact CZ-CD1 3.85Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.27Å; F1113-I1117 PolarHBondContact O-N 3.2Å |
| 1114 | L | 87.9 | Confident | 83.7 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 55% | 0.55 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174 | -74.1 | 171.2 | 0 | 0 | 0 | 112.5 | S1110 L1111 N1116 I1117 S1118 | S1110-L1114 VanDerWaalsContact O-CB 3.32Å; S1110-L1114 WeakPolarHBondContact O-CB 3.32Å; S1110-L1114 WeakPolarHBondContact O-CG 3.24Å; S1110-L1114 PolarHBondContact O-N 2.84Å; L1111-L1114 PolarHBondContact O-N 3.27Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-I1117 PolarHBondContact O-N 3.38Å; L1114-S1118 VanDerWaalsContact O-CB 3.29Å; L1114-S1118 WeakPolarHBondContact O-CB 3.15Å; L1114-S1118 PolarHBondContact O-N 2.65Å; L1114-S1118 PolarHBondContact O-OG 3.02Å |
| 1115 | V | 85.7 | Confident | 83.6 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.6 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | L1111 A1112 S1118 I1119 | L1111-V1115 HydrophobicContact CD1-CG2 4.3Å; L1111-V1115 WeakPolarHBondContact O-CB 3.38Å; L1111-V1115 VanDerWaalsContact O-CG2 3.24Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.49Å; L1111-V1115 PolarHBondContact O-N 3.17Å; A1112-V1115 PolarHBondContact O-N 3.28Å; V1115-S1118 WeakPolarHBondContact O-CB 3.31Å; V1115-S1118 PolarHBondContact O-N 3.47Å; V1115-I1119 HydrophobicContact CG1-CD1 3.9Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; V1115-I1119 PolarHBondContact O-N 3.31Å |
| 1116 | N | 81.5 | Confident | 83.5 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 177.9 | -74.1 | -33 | 0 | 0 | 0 | 113.2 | I995 M996 F1087 A1112 F1113 L1114 S1118 I1119 F1120 | I995-N1116 PolarHBondContact O-OD1 3.39Å; M996-N1116 WeakPolarHBondContact CA-OD1 3.2Å; M996-N1116 PolarHBondContact O-ND2 3.41Å; F1087-N1116 HydrophobicContact CE2-CB 3.53Å; F1087-N1116 HydrophobicContact CZ-CB 3.6Å; A1112-N1116 WeakPolarHBondContact O-CB 3.31Å; A1112-N1116 VanDerWaalsContact O-CG 3.23Å; A1112-N1116 PolarHBondContact O-N 3.34Å; A1112-N1116 PolarHBondContact O-ND2 2.96Å; A1112-N1116 VanDerWaalsContact O-ND2 3.13Å; F1113-N1116 PolarHBondContact O-N 3.11Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; N1116-S1118 VanDerWaalsContact C-N 3.32Å; N1116-I1119 PolarHBondContact O-N 2.69Å; N1116-F1120 WeakPolarHBondContact O-CB 3.23Å; N1116-F1120 PolarHBondContact O-N 3.42Å |
| 1117 | I | 84.1 | Confident | 82.9 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 169.5 | -71.7 | 173.9 | 0 | 0 | 0 | 110.2 | F1087 F1113 L1114 I1119 F1120 L1121 | F1087-I1117 HydrophobicContact CE1-CG1 3.99Å; F1087-I1117 HydrophobicContact CZ-CG1 4.35Å; F1113-I1117 HydrophobicContact CD1-CD1 3.76Å; F1113-I1117 HydrophobicContact CE1-CD1 3.39Å; F1113-I1117 HydrophobicContact CE1-CG1 4.48Å; F1113-I1117 HydrophobicContact CZ-CD1 3.85Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.27Å; F1113-I1117 PolarHBondContact O-N 3.2Å; L1114-I1117 PolarHBondContact O-N 3.38Å; I1117-I1119 PolarHBondContact O-N 3.28Å; I1117-F1120 WeakPolarHBondContact O-CB 3.37Å; I1117-F1120 PolarHBondContact O-N 2.95Å; I1117-L1121 HydrophobicContact CG2-CD1 3.98Å; I1117-L1121 HydrophobicContact CG2-CG 4.29Å; I1117-L1121 VanDerWaalsContact O-CG 3.32Å; I1117-L1121 WeakPolarHBondContact O-CG 3.1Å; I1117-L1121 PolarHBondContact O-N 3Å |
| 1118 | S | 85.3 | Confident | 82.1 | Confident | 57 Ų | 57 | 50 Ų | 50 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | L1114 V1115 N1116 L1121 I1122 | L1114-S1118 VanDerWaalsContact O-CB 3.29Å; L1114-S1118 WeakPolarHBondContact O-CB 3.15Å; L1114-S1118 PolarHBondContact O-N 2.65Å; L1114-S1118 PolarHBondContact O-OG 3.02Å; V1115-S1118 WeakPolarHBondContact O-CB 3.31Å; V1115-S1118 PolarHBondContact O-N 3.47Å; N1116-S1118 VanDerWaalsContact C-N 3.32Å; S1118-L1121 PolarHBondContact O-N 2.87Å; S1118-I1122 WeakPolarHBondContact O-CB 3.41Å; S1118-I1122 WeakPolarHBondContact O-CD1 3.31Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; S1118-I1122 PolarHBondContact O-N 3.47Å |
| 1119 | I | 82.3 | Confident | 81.3 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.179 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 173.4 | -73.2 | 160 | 0 | 0 | 0 | 110.3 | L991 I995 M996 V1115 N1116 I1117 L1121 I1122 C1123 | L991-I1119 HydrophobicContact CD1-CG2 3.95Å; I995-I1119 HydrophobicContact CD1-CD1 4.45Å; I995-I1119 HydrophobicContact CG2-CD1 3.71Å; M996-I1119 HydrophobicContact CE-CG2 4.31Å; V1115-I1119 HydrophobicContact CG1-CD1 3.9Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; V1115-I1119 PolarHBondContact O-N 3.31Å; N1116-I1119 PolarHBondContact O-N 2.69Å; I1117-I1119 PolarHBondContact O-N 3.28Å; I1119-L1121 PolarHBondContact O-N 3.43Å; I1119-I1122 PolarHBondContact O-N 3.17Å; I1119-C1123 VanDerWaalsContact O-CB 3.31Å; I1119-C1123 WeakPolarHBondContact O-CB 3.3Å; I1119-C1123 PolarHBondContact O-N 3.19Å; I1119-C1123 PolarHBondContact O-SG 3.26Å |
| 1120 | F | 80.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 177.5 | -173.9 | -94 | 0 | 0 | 0 | 111.7 | Y988 M996 N1080 I1083 F1084 N1116 I1117 C1123 N1124 W1144 | Y988-F1120 AromaticContact CE1-CD2 3.9Å; Y988-F1120 HydrophobicContact CE1-CD2 3.9Å; Y988-F1120 HydrophobicContact CE1-CE2 4.14Å; Y988-F1120 HydrophobicContact CE2-CE2 4.4Å; Y988-F1120 AromaticContact CZ-CD2 3.89Å; Y988-F1120 AromaticContact CZ-CE2 3.69Å; Y988-F1120 WeakPolarHBondContact OH-CD2 3.48Å; Y988-F1120 WeakPolarHBondContact OH-CE2 3.43Å; M996-F1120 HydrophobicContact CE-CB 4.44Å; M996-F1120 HydrophobicContact CE-CD2 4.28Å; N1080-F1120 WeakPolarHBondContact OD1-CE2 3.39Å; N1080-F1120 WeakPolarHBondContact OD1-CZ 3.45Å; I1083-F1120 HydrophobicContact CG2-CE2 4.1Å; F1084-F1120 HydrophobicContact CB-CE1 4.45Å; F1084-F1120 HydrophobicContact CB-CE2 4.25Å; F1084-F1120 HydrophobicContact CB-CZ 3.88Å; F1084-F1120 AromaticContact CD2-CD1 3.72Å; F1084-F1120 HydrophobicContact CD2-CD1 3.72Å; F1084-F1120 HydrophobicContact CD2-CD2 4.29Å; F1084-F1120 AromaticContact CD2-CE1 3.48Å; F1084-F1120 HydrophobicContact CD2-CE1 3.48Å; F1084-F1120 VanDerWaalsContact CD2-CE1 3.48Å; F1084-F1120 HydrophobicContact CD2-CE2 4.09Å; F1084-F1120 HydrophobicContact CD2-CG 4.12Å; F1084-F1120 AromaticContact CD2-CZ 3.69Å; F1084-F1120 HydrophobicContact CD2-CZ 3.69Å; F1084-F1120 AromaticContact CE2-CD1 3.96Å; F1084-F1120 HydrophobicContact CE2-CD1 3.96Å; F1084-F1120 HydrophobicContact CE2-CE1 4.04Å; F1084-F1120 HydrophobicContact CG-CE1 4.24Å; F1084-F1120 HydrophobicContact CG-CZ 4.16Å; N1116-F1120 WeakPolarHBondContact O-CB 3.23Å; N1116-F1120 PolarHBondContact O-N 3.42Å; I1117-F1120 WeakPolarHBondContact O-CB 3.37Å; I1117-F1120 PolarHBondContact O-N 2.95Å; F1120-C1123 PolarHBondContact O-N 3.34Å; F1120-N1124 WeakPolarHBondContact CE1-ND2 3.21Å; F1120-N1124 PolarHBondContact O-N 2.99Å; F1120-N1124 PolarHBondContact O-ND2 2.84Å; F1120-W1144 AromaticContact CE1-CE2 3.77Å; F1120-W1144 AromaticContact CE1-CZ2 3.55Å; F1120-W1144 HydrophobicContact CE1-CZ2 3.55Å; F1120-W1144 AromaticContact CE1-NE1 3.71Å; F1120-W1144 AromaticContact CZ-CZ2 3.79Å; F1120-W1144 HydrophobicContact CZ-CZ2 3.79Å |
| 1121 | L | 81.8 | Confident | 79.4 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 174.9 | -69 | 172.4 | 0 | 0 | 0 | 111.8 | I1117 S1118 I1119 C1123 N1124 V1125 Y1140 | I1117-L1121 HydrophobicContact CG2-CD1 3.98Å; I1117-L1121 HydrophobicContact CG2-CG 4.29Å; I1117-L1121 VanDerWaalsContact O-CG 3.32Å; I1117-L1121 WeakPolarHBondContact O-CG 3.1Å; I1117-L1121 PolarHBondContact O-N 3Å; S1118-L1121 PolarHBondContact O-N 2.87Å; I1119-L1121 PolarHBondContact O-N 3.43Å; L1121-C1123 VanDerWaalsContact C-N 3.29Å; L1121-C1123 PolarHBondContact O-N 3.42Å; L1121-N1124 PolarHBondContact O-N 3.47Å; L1121-N1124 VanDerWaalsContact O-N 3.16Å; L1121-V1125 WeakPolarHBondContact O-CB 3.43Å; L1121-V1125 VanDerWaalsContact O-CG2 3.29Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.45Å; L1121-V1125 PolarHBondContact O-N 3.42Å; L1121-Y1140 HydrophobicContact CD2-CD2 4.11Å; L1121-Y1140 HydrophobicContact CD2-CE2 3.37Å |
| 1122 | I | 83.4 | Confident | 78.5 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 178.3 | -68.3 | 163.7 | 0 | 0 | 0 | 110.7 | S1118 I1119 N1124 V1125 V1126 F1128 | S1118-I1122 WeakPolarHBondContact O-CB 3.41Å; S1118-I1122 WeakPolarHBondContact O-CD1 3.31Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; S1118-I1122 PolarHBondContact O-N 3.47Å; I1119-I1122 PolarHBondContact O-N 3.17Å; I1122-N1124 VanDerWaalsContact C-N 3.28Å; I1122-N1124 PolarHBondContact O-N 3.34Å; I1122-V1125 PolarHBondContact O-N 2.9Å; I1122-V1126 HydrophobicContact CG2-CB 4.34Å; I1122-V1126 HydrophobicContact CG2-CG2 3.98Å; I1122-V1126 WeakPolarHBondContact O-CB 3.36Å; I1122-V1126 PolarHBondContact O-N 2.91Å; I1122-F1128 HydrophobicContact CG2-CZ 4.04Å |
| 1123 | C | 80.5 | Confident | 77.8 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -33 | 178.6 | -73 | 0 | 0 | 0 | 0 | 113.7 | L987 Y988 L991 I1119 F1120 L1121 L1136 | L987-C1123 HydrophobicContact CD2-CB 4.33Å; Y988-C1123 HydrophobicContact CE1-CB 4.24Å; L991-C1123 VanDerWaalsContact CD1-SG 3.56Å; I1119-C1123 VanDerWaalsContact O-CB 3.31Å; I1119-C1123 WeakPolarHBondContact O-CB 3.3Å; I1119-C1123 PolarHBondContact O-N 3.19Å; I1119-C1123 PolarHBondContact O-SG 3.26Å; F1120-C1123 PolarHBondContact O-N 3.34Å; L1121-C1123 VanDerWaalsContact C-N 3.29Å; L1121-C1123 PolarHBondContact O-N 3.42Å; C1123-L1136 HydrophobicContact CB-CD1 4.23Å; C1123-L1136 WeakPolarHBondContact O-CB 3.32Å |
| 1124 | N | 78.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -97.5 | -16.6 | -178 | -61.9 | -75.2 | 0 | 0 | 0 | 114.1 | Y988 N1080 F1120 L1121 I1122 T1139 Y1140 | Y988-N1124 PolarHBondContact OH-ND2 3.03Å; Y988-N1124 PolarHBondContact OH-OD1 3.41Å; Y988-N1124 VanDerWaalsContact OH-OD1 3.1Å; N1080-N1124 VanDerWaalsContact CG-OD1 3.3Å; N1080-N1124 PolarHBondContact ND2-OD1 3.43Å; N1080-N1124 PolarHBondContact OD1-OD1 2.87Å; N1080-N1124 VanDerWaalsContact OD1-OD1 3.12Å; F1120-N1124 WeakPolarHBondContact CE1-ND2 3.21Å; F1120-N1124 PolarHBondContact O-N 2.99Å; F1120-N1124 PolarHBondContact O-ND2 2.84Å; L1121-N1124 PolarHBondContact O-N 3.47Å; L1121-N1124 VanDerWaalsContact O-N 3.16Å; I1122-N1124 VanDerWaalsContact C-N 3.28Å; I1122-N1124 PolarHBondContact O-N 3.34Å; N1124-T1139 PolarHBondContact OD1-OG1 3.06Å; N1124-Y1140 HydrophobicContact CB-CD2 4.37Å; N1124-Y1140 HydrophobicContact CB-CG 4.5Å; N1124-Y1140 WeakPolarHBondContact O-CB 3.24Å |
| 1125 | V | 79.7 | Confident | 76.4 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -101.2 | -39.1 | -176.6 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | L1121 I1122 Y1140 | L1121-V1125 WeakPolarHBondContact O-CB 3.43Å; L1121-V1125 VanDerWaalsContact O-CG2 3.29Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.45Å; L1121-V1125 PolarHBondContact O-N 3.42Å; I1122-V1125 PolarHBondContact O-N 2.9Å; V1125-Y1140 HydrophobicContact CG2-CD1 3.74Å; V1125-Y1140 HydrophobicContact CG2-CD2 4.02Å; V1125-Y1140 HydrophobicContact CG2-CE1 4.3Å; V1125-Y1140 HydrophobicContact CG2-CG 3.59Å |
| 1126 | V | 79 | Confident | 76 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 42% | 0.418 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -91 | 132.3 | -172.3 | -179.1 | 0 | 0 | 0 | 0 | 111 | I1122 F1128 | I1122-V1126 HydrophobicContact CG2-CB 4.34Å; I1122-V1126 HydrophobicContact CG2-CG2 3.98Å; I1122-V1126 WeakPolarHBondContact O-CB 3.36Å; I1122-V1126 PolarHBondContact O-N 2.91Å; V1126-F1128 HydrophobicContact CB-CE2 4.33Å; V1126-F1128 VanDerWaalsContact O-CD2 3.26Å; V1126-F1128 WeakPolarHBondContact O-CD2 3.32Å; V1126-F1128 PolarHBondContact O-N 2.96Å |
| 1127 | I | 72.6 | Confident | 75.8 | Confident | 100 Ų | 100 | 62 Ų | 62 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | trans | -71.6 | 108 | 168.4 | -56.5 | 173.3 | 0 | 0 | 0 | 108 | Y1137 | I1127-Y1137 HydrophobicContact CB-CD2 4.47Å; I1127-Y1137 HydrophobicContact CD1-CD1 4.3Å; I1127-Y1137 HydrophobicContact CD1-CD2 4.22Å; I1127-Y1137 HydrophobicContact CD1-CE1 3.99Å; I1127-Y1137 HydrophobicContact CD1-CE2 3.91Å; I1127-Y1137 HydrophobicContact CD1-CG 4.39Å; I1127-Y1137 HydrophobicContact CG1-CD1 4.03Å; I1127-Y1137 HydrophobicContact CG1-CD2 3.32Å; I1127-Y1137 HydrophobicContact CG1-CE1 4.11Å; I1127-Y1137 HydrophobicContact CG1-CE2 3.42Å; I1127-Y1137 VanDerWaalsContact CG1-CE2 3.42Å; I1127-Y1137 HydrophobicContact CG1-CG 3.64Å | ||
| 1128 | F | 69.2 | Low | 75.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | trans | -74.5 | 140.8 | 170.1 | -69.3 | -95.9 | 0 | 0 | 0 | 110.1 | I1122 V1126 T1130 | I1122-F1128 HydrophobicContact CG2-CZ 4.04Å; V1126-F1128 HydrophobicContact CB-CE2 4.33Å; V1126-F1128 VanDerWaalsContact O-CD2 3.26Å; V1126-F1128 WeakPolarHBondContact O-CD2 3.32Å; V1126-F1128 PolarHBondContact O-N 2.96Å; F1128-T1130 PolarHBondContact O-N 2.93Å | ||
| 1129 | P | 66.6 | Low | 74.8 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -67.7 | -21.1 | 174.8 | 28.1 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 1130 | T | 66.4 | Low | 74.6 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -82.6 | 138.5 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | F1128 L1132 G1133 | F1128-T1130 PolarHBondContact O-N 2.93Å; T1130-L1132 PolarHBondContact O-N 3.22Å; T1130-L1132 VanDerWaalsContact O-N 3.08Å; T1130-G1133 PolarHBondContact O-N 2.84Å; T1130-G1133 VanDerWaalsContact O-N 3.08Å |
| 1131 | E | 67.2 | Low | 74.3 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -53 | -33.5 | -179.9 | -59.2 | -53.7 | 145.9 | 0 | 0 | 113.4 | G1133 K1134 | E1131-G1133 PolarHBondContact O-N 2.96Å; E1131-K1134 PolarHBondContact O-N 2.84Å; E1131-K1134 IonicContact OE1-NZ 2.62Å; E1131-K1134 PolarHBondContact OE1-NZ 3.03Å; E1131-K1134 WeakPolarHBondContact OE2-CD 3.33Å; E1131-K1134 WeakPolarHBondContact OE2-CE 3.25Å; E1131-K1134 IonicContact OE2-NZ 3Å; E1131-K1134 PolarHBondContact OE2-NZ 3.25Å |
| 1132 | L | 66.9 | Low | 74 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.4 | -34 | 178.4 | -110.8 | 84.8 | 0 | 0 | 0 | 114.2 | Q986 I990 T1130 | Q986-L1132 HydrophobicContact CB-CD2 4.32Å; Q986-L1132 HydrophobicContact CB-CG 4.14Å; I990-L1132 HydrophobicContact CD1-CD2 3.87Å; T1130-L1132 PolarHBondContact O-N 3.22Å; T1130-L1132 VanDerWaalsContact O-N 3.08Å |
| 1133 | G | 68.1 | Low | 73.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -98.5 | -20.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1130 E1131 Q1135 L1136 | T1130-G1133 PolarHBondContact O-N 2.84Å; T1130-G1133 VanDerWaalsContact O-N 3.08Å; E1131-G1133 PolarHBondContact O-N 2.96Å; G1133-Q1135 PolarHBondContact O-N 2.83Å; G1133-L1136 PolarHBondContact O-N 3.34Å |
| 1134 | K | 71.8 | Confident | 73.5 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59 | -33 | -177.5 | -66.8 | -174.9 | -168.8 | 166.4 | 0 | 113 | E1131 L1136 Y1137 | E1131-K1134 PolarHBondContact O-N 2.84Å; E1131-K1134 IonicContact OE1-NZ 2.62Å; E1131-K1134 PolarHBondContact OE1-NZ 3.03Å; E1131-K1134 WeakPolarHBondContact OE2-CD 3.33Å; E1131-K1134 WeakPolarHBondContact OE2-CE 3.25Å; E1131-K1134 IonicContact OE2-NZ 3Å; E1131-K1134 PolarHBondContact OE2-NZ 3.25Å; K1134-L1136 PolarHBondContact O-N 3.46Å; K1134-Y1137 PolarHBondContact O-N 2.72Å |
| 1135 | Q | 73.8 | Confident | 73.4 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.7 | 177.7 | -66 | -177.2 | -6.4 | 0 | 0 | 113.8 | L1076 G1133 | L1076-Q1135 HydrophobicContact CD2-CB 3.9Å; L1076-Q1135 WeakPolarHBondContact CD2-O 3.39Å; G1133-Q1135 PolarHBondContact O-N 2.83Å |
| 1136 | L | 77.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14.6 | -178.3 | -71.6 | 167.4 | 0 | 0 | 0 | 113.3 | P985 L987 Y988 C1123 G1133 K1134 G1138 T1139 | P985-L1136 HydrophobicContact CB-CD1 4.47Å; P985-L1136 HydrophobicContact CB-CD2 3.86Å; P985-L1136 HydrophobicContact CB-CG 4.15Å; P985-L1136 HydrophobicContact CG-CD2 3.69Å; P985-L1136 HydrophobicContact CG-CG 4.45Å; L987-L1136 HydrophobicContact CB-CD1 4.22Å; L987-L1136 HydrophobicContact CD2-CD1 3.82Å; Y988-L1136 HydrophobicContact CD2-CD2 4.39Å; Y988-L1136 HydrophobicContact CE2-CD1 4.32Å; Y988-L1136 HydrophobicContact CE2-CD2 3.62Å; C1123-L1136 HydrophobicContact CB-CD1 4.23Å; C1123-L1136 WeakPolarHBondContact O-CB 3.32Å; G1133-L1136 PolarHBondContact O-N 3.34Å; K1134-L1136 PolarHBondContact O-N 3.46Å; L1136-G1138 PolarHBondContact O-N 3.42Å; L1136-T1139 WeakPolarHBondContact O-CB 3.39Å; L1136-T1139 WeakPolarHBondContact O-CG2 3.43Å; L1136-T1139 PolarHBondContact O-N 2.88Å; L1136-T1139 PolarHBondContact O-OG1 2.85Å |
| 1137 | Y | 75.7 | Confident | 72.5 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 130.1 | -176.1 | 179 | -112.6 | 0 | 0 | 0 | 111.8 | I1127 K1134 T1139 | I1127-Y1137 HydrophobicContact CB-CD2 4.47Å; I1127-Y1137 HydrophobicContact CD1-CD1 4.3Å; I1127-Y1137 HydrophobicContact CD1-CD2 4.22Å; I1127-Y1137 HydrophobicContact CD1-CE1 3.99Å; I1127-Y1137 HydrophobicContact CD1-CE2 3.91Å; I1127-Y1137 HydrophobicContact CD1-CG 4.39Å; I1127-Y1137 HydrophobicContact CG1-CD1 4.03Å; I1127-Y1137 HydrophobicContact CG1-CD2 3.32Å; I1127-Y1137 HydrophobicContact CG1-CE1 4.11Å; I1127-Y1137 HydrophobicContact CG1-CE2 3.42Å; I1127-Y1137 VanDerWaalsContact CG1-CE2 3.42Å; I1127-Y1137 HydrophobicContact CG1-CG 3.64Å; K1134-Y1137 PolarHBondContact O-N 2.72Å; Y1137-T1139 PolarHBondContact O-N 3.47Å |
| 1138 | G | 72.6 | Confident | 72.3 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1136 Y1140 T1141 | L1136-G1138 PolarHBondContact O-N 3.42Å; G1138-Y1140 PolarHBondContact O-N 2.67Å; G1138-T1141 PolarHBondContact O-N 3.2Å; G1138-T1141 PolarHBondContact O-OG1 2.87Å; G1138-T1141 VanDerWaalsContact O-OG1 3.04Å |
| 1139 | T | 77.5 | Confident | 72.7 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -32.2 | 167.6 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | L1076 N1124 L1136 Y1137 T1141 I1142 T1143 | L1076-T1139 HydrophobicContact CB-CG2 4.33Å; N1124-T1139 PolarHBondContact OD1-OG1 3.06Å; L1136-T1139 WeakPolarHBondContact O-CB 3.39Å; L1136-T1139 WeakPolarHBondContact O-CG2 3.43Å; L1136-T1139 PolarHBondContact O-N 2.88Å; L1136-T1139 PolarHBondContact O-OG1 2.85Å; Y1137-T1139 PolarHBondContact O-N 3.47Å; T1139-T1141 PolarHBondContact O-N 3.21Å; T1139-I1142 PolarHBondContact O-N 3.47Å; T1139-T1143 PolarHBondContact O-N 3.28Å; T1139-T1143 PolarHBondContact O-OG1 2.97Å |
| 1140 | Y | 76.4 | Confident | 73.3 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.8 | -48.9 | -179.7 | -178.6 | -100.9 | 0 | 0 | 0 | 112.2 | L1121 N1124 V1125 G1138 I1142 T1143 W1144 T1145 | L1121-Y1140 HydrophobicContact CD2-CD2 4.11Å; L1121-Y1140 HydrophobicContact CD2-CE2 3.37Å; N1124-Y1140 HydrophobicContact CB-CD2 4.37Å; N1124-Y1140 HydrophobicContact CB-CG 4.5Å; N1124-Y1140 WeakPolarHBondContact O-CB 3.24Å; V1125-Y1140 HydrophobicContact CG2-CD1 3.74Å; V1125-Y1140 HydrophobicContact CG2-CD2 4.02Å; V1125-Y1140 HydrophobicContact CG2-CE1 4.3Å; V1125-Y1140 HydrophobicContact CG2-CG 3.59Å; G1138-Y1140 PolarHBondContact O-N 2.67Å; Y1140-I1142 VanDerWaalsContact C-N 3.27Å; Y1140-I1142 PolarHBondContact O-N 2.82Å; Y1140-T1143 PolarHBondContact O-N 2.83Å; Y1140-W1144 HydrophobicContact CD2-CB 4.07Å; Y1140-W1144 AromaticContact CD2-CD1 3.26Å; Y1140-W1144 AromaticContact CD2-CG 3.9Å; Y1140-W1144 HydrophobicContact CD2-CG 3.9Å; Y1140-W1144 HydrophobicContact CE2-CB 3.7Å; Y1140-W1144 AromaticContact CE2-CD1 3.62Å; Y1140-W1144 AromaticContact CE2-CG 3.8Å; Y1140-W1144 HydrophobicContact CE2-CG 3.8Å; Y1140-W1144 WeakPolarHBondContact O-CB 3.26Å; Y1140-W1144 PolarHBondContact O-N 2.85Å; Y1140-T1145 HydrophobicContact CD1-CG2 4.37Å; Y1140-T1145 HydrophobicContact CE1-CG2 3.59Å |
| 1141 | T | 75.8 | Confident | 73.9 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72 | -24.1 | -174.3 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | G1138 T1139 T1145 G1146 | G1138-T1141 PolarHBondContact O-N 3.2Å; G1138-T1141 PolarHBondContact O-OG1 2.87Å; G1138-T1141 VanDerWaalsContact O-OG1 3.04Å; T1139-T1141 PolarHBondContact O-N 3.21Å; T1141-T1145 WeakPolarHBondContact CA-OG1 3.42Å; T1141-T1145 CarbonylContact O-C 3.56Å; T1141-T1145 PolarHBondContact O-OG1 3.03Å; T1141-G1146 VanDerWaalsContact O-CA 3.32Å; T1141-G1146 WeakPolarHBondContact O-CA 3.46Å; T1141-G1146 PolarHBondContact O-N 3.02Å |
| 1142 | I | 75 | Confident | 74.6 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.4 | -46.7 | 174.2 | -62.9 | 170.5 | 0 | 0 | 0 | 110.9 | K1071 T1139 Y1140 | K1071-I1142 HydrophobicContact CB-CG2 3.62Å; T1139-I1142 PolarHBondContact O-N 3.47Å; Y1140-I1142 VanDerWaalsContact C-N 3.27Å; Y1140-I1142 PolarHBondContact O-N 2.82Å |
| 1143 | T | 75.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -85.7 | -35.4 | -170.3 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | L1072 C1077 T1139 Y1140 T1152 | L1072-T1143 HydrophobicContact CD1-CG2 3.91Å; C1077-T1143 HydrophobicContact CB-CG2 3.63Å; T1139-T1143 PolarHBondContact O-N 3.28Å; T1139-T1143 PolarHBondContact O-OG1 2.97Å; Y1140-T1143 PolarHBondContact O-N 2.83Å; T1143-T1152 WeakPolarHBondContact O-CG2 3.4Å; T1143-T1152 PolarHBondContact O-OG1 2.86Å |
| 1144 | W | 77 | Confident | 76.4 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -26.4 | -169.3 | -55.4 | 105.8 | 0 | 0 | 0 | 115 | F1084 F1120 Y1140 A1149 W1153 I1156 | F1084-W1144 HydrophobicContact CB-CH2 3.95Å; F1084-W1144 HydrophobicContact CB-CZ2 4.09Å; F1084-W1144 AromaticContact CD1-CH2 3.38Å; F1084-W1144 HydrophobicContact CD1-CH2 3.38Å; F1084-W1144 HydrophobicContact CD1-CZ2 4.25Å; F1084-W1144 HydrophobicContact CD1-CZ3 4.06Å; F1084-W1144 HydrophobicContact CD2-CH2 4.13Å; F1084-W1144 HydrophobicContact CD2-CZ2 4.26Å; F1084-W1144 AromaticContact CE1-CH2 3.77Å; F1084-W1144 HydrophobicContact CE1-CH2 3.77Å; F1084-W1144 HydrophobicContact CE1-CZ3 4.01Å; F1084-W1144 HydrophobicContact CE2-CH2 4.49Å; F1084-W1144 AromaticContact CG-CH2 3.55Å; F1084-W1144 HydrophobicContact CG-CH2 3.55Å; F1084-W1144 AromaticContact CG-CZ2 3.95Å; F1084-W1144 HydrophobicContact CG-CZ2 3.95Å; F1084-W1144 HydrophobicContact CZ-CH2 4.32Å; F1120-W1144 AromaticContact CE1-CE2 3.77Å; F1120-W1144 AromaticContact CE1-CZ2 3.55Å; F1120-W1144 HydrophobicContact CE1-CZ2 3.55Å; F1120-W1144 AromaticContact CE1-NE1 3.71Å; F1120-W1144 AromaticContact CZ-CZ2 3.79Å; F1120-W1144 HydrophobicContact CZ-CZ2 3.79Å; Y1140-W1144 HydrophobicContact CD2-CB 4.07Å; Y1140-W1144 AromaticContact CD2-CD1 3.26Å; Y1140-W1144 AromaticContact CD2-CG 3.9Å; Y1140-W1144 HydrophobicContact CD2-CG 3.9Å; Y1140-W1144 HydrophobicContact CE2-CB 3.7Å; Y1140-W1144 AromaticContact CE2-CD1 3.62Å; Y1140-W1144 AromaticContact CE2-CG 3.8Å; Y1140-W1144 HydrophobicContact CE2-CG 3.8Å; Y1140-W1144 WeakPolarHBondContact O-CB 3.26Å; Y1140-W1144 PolarHBondContact O-N 2.85Å; W1144-A1149 VanDerWaalsContact O-CB 3.31Å; W1144-A1149 WeakPolarHBondContact O-CB 3.47Å; W1144-W1153 HydrophobicContact CE3-CD2 4.42Å; W1144-W1153 AromaticContact CE3-CE2 3.92Å; W1144-W1153 AromaticContact CE3-CH2 3.94Å; W1144-W1153 HydrophobicContact CE3-CH2 3.94Å; W1144-W1153 AromaticContact CE3-CZ2 3.68Å; W1144-W1153 HydrophobicContact CE3-CZ2 3.68Å; W1144-W1153 HydrophobicContact CE3-CZ3 4.41Å; W1144-W1153 HydrophobicContact CZ3-CE3 4.48Å; W1144-W1153 HydrophobicContact CZ3-CH2 4.24Å; W1144-W1153 HydrophobicContact CZ3-CZ2 4.36Å; W1144-W1153 HydrophobicContact CZ3-CZ3 4.3Å; W1144-W1153 PolarHBondContact O-NE1 3.47Å; W1144-I1156 HydrophobicContact CH2-CD1 3.46Å; W1144-I1156 VanDerWaalsContact CH2-CD1 3.46Å; W1144-I1156 HydrophobicContact CZ3-CD1 3.28Å |
| 1145 | T | 77.6 | Confident | 77.1 | Confident | 84 Ų | 84 | 51 Ų | 51 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -125.9 | 2.5 | -177.6 | 70.3 | 0 | 0 | 0 | 0 | 114.1 | Y1140 T1141 | Y1140-T1145 HydrophobicContact CD1-CG2 4.37Å; Y1140-T1145 HydrophobicContact CE1-CG2 3.59Å; T1141-T1145 WeakPolarHBondContact CA-OG1 3.42Å; T1141-T1145 CarbonylContact O-C 3.56Å; T1141-T1145 PolarHBondContact O-OG1 3.03Å |
| 1146 | G | 72.5 | Confident | 77.8 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -81.2 | -180 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1141 G1148 A1149 | T1141-G1146 VanDerWaalsContact O-CA 3.32Å; T1141-G1146 WeakPolarHBondContact O-CA 3.46Å; T1141-G1146 PolarHBondContact O-N 3.02Å; G1146-G1148 PolarHBondContact O-N 3.07Å; G1146-A1149 WeakPolarHBondContact O-CB 3.4Å; G1146-A1149 PolarHBondContact O-N 2.73Å |
| 1147 | S | 67.4 | Low | 78.4 | Confident | 97 Ų | 97 | 53 Ų | 53 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.2 | 174.8 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | A1149 | S1147-A1149 VanDerWaalsContact C-N 3.31Å; S1147-A1149 PolarHBondContact O-N 2.88Å |
| 1148 | G | 68.3 | Low | 79.2 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1146 G1150 L1151 T1152 | G1146-G1148 PolarHBondContact O-N 3.07Å; G1148-G1150 VanDerWaalsContact C-N 3.3Å; G1148-G1150 PolarHBondContact O-N 3.08Å; G1148-L1151 WeakPolarHBondContact O-CB 3.42Å; G1148-L1151 PolarHBondContact O-N 3.12Å; G1148-L1151 VanDerWaalsContact O-N 3.09Å; G1148-T1152 PolarHBondContact O-N 3.22Å; G1148-T1152 VanDerWaalsContact O-N 3.17Å |
| 1149 | A | 76.3 | Confident | 80.2 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -36.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1144 G1146 S1147 L1151 T1152 W1153 | W1144-A1149 VanDerWaalsContact O-CB 3.31Å; W1144-A1149 WeakPolarHBondContact O-CB 3.47Å; G1146-A1149 WeakPolarHBondContact O-CB 3.4Å; G1146-A1149 PolarHBondContact O-N 2.73Å; S1147-A1149 VanDerWaalsContact C-N 3.31Å; S1147-A1149 PolarHBondContact O-N 2.88Å; A1149-L1151 VanDerWaalsContact C-N 3.28Å; A1149-L1151 PolarHBondContact O-N 3.5Å; A1149-T1152 WeakPolarHBondContact CA-OG1 3.34Å; A1149-T1152 PolarHBondContact O-N 3.18Å; A1149-T1152 PolarHBondContact O-OG1 3.38Å; A1149-W1153 PolarHBondContact O-N 2.67Å |
| 1150 | G | 79.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 56% | 0.557 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.4 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1148 F1154 | G1148-G1150 VanDerWaalsContact C-N 3.3Å; G1148-G1150 PolarHBondContact O-N 3.08Å; G1150-F1154 WeakPolarHBondContact O-CB 3.23Å; G1150-F1154 PolarHBondContact O-N 3Å; G1150-F1154 VanDerWaalsContact O-N 3.09Å |
| 1151 | L | 79.7 | Confident | 81.6 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.3 | -176.2 | 66.2 | 0 | 0 | 0 | 111.9 | L1058 L1069 L1072 G1148 A1149 G1155 | L1058-L1151 HydrophobicContact CD2-CD1 4.02Å; L1069-L1151 HydrophobicContact CD2-CD2 4.12Å; L1069-L1151 HydrophobicContact CG-CD2 4.43Å; L1072-L1151 HydrophobicContact CD2-CD2 4.24Å; G1148-L1151 WeakPolarHBondContact O-CB 3.42Å; G1148-L1151 PolarHBondContact O-N 3.12Å; G1148-L1151 VanDerWaalsContact O-N 3.09Å; A1149-L1151 VanDerWaalsContact C-N 3.28Å; A1149-L1151 PolarHBondContact O-N 3.5Å; L1151-G1155 WeakPolarHBondContact O-CA 3.3Å; L1151-G1155 PolarHBondContact O-N 3.05Å |
| 1152 | T | 80.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.7 | -49.1 | 179.3 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | L1072 F1081 T1143 G1148 A1149 G1155 I1156 | L1072-T1152 HydrophobicContact CD1-CG2 3.54Å; L1072-T1152 HydrophobicContact CD2-CG2 3.68Å; L1072-T1152 HydrophobicContact CG-CG2 4.29Å; F1081-T1152 HydrophobicContact CD2-CG2 4.04Å; F1081-T1152 HydrophobicContact CE2-CG2 3.9Å; F1081-T1152 WeakPolarHBondContact CE2-O 3.34Å; T1143-T1152 WeakPolarHBondContact O-CG2 3.4Å; T1143-T1152 PolarHBondContact O-OG1 2.86Å; G1148-T1152 PolarHBondContact O-N 3.22Å; G1148-T1152 VanDerWaalsContact O-N 3.17Å; A1149-T1152 WeakPolarHBondContact CA-OG1 3.34Å; A1149-T1152 PolarHBondContact O-N 3.18Å; A1149-T1152 PolarHBondContact O-OG1 3.38Å; T1152-G1155 PolarHBondContact O-N 3.03Å; T1152-I1156 WeakPolarHBondContact O-CB 3.2Å; T1152-I1156 VanDerWaalsContact O-CD1 3.28Å; T1152-I1156 WeakPolarHBondContact O-CD1 2.98Å; T1152-I1156 VanDerWaalsContact O-CG1 3.3Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.41Å; T1152-I1156 PolarHBondContact O-N 3.2Å |
| 1153 | W | 85.6 | Confident | 83.4 | Confident | 134 Ų | 134 | 47 Ų | 47 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 178.6 | -72.1 | 114.9 | 0 | 0 | 0 | 112.7 | W1144 A1149 F1157 | W1144-W1153 HydrophobicContact CE3-CD2 4.42Å; W1144-W1153 AromaticContact CE3-CE2 3.92Å; W1144-W1153 AromaticContact CE3-CH2 3.94Å; W1144-W1153 HydrophobicContact CE3-CH2 3.94Å; W1144-W1153 AromaticContact CE3-CZ2 3.68Å; W1144-W1153 HydrophobicContact CE3-CZ2 3.68Å; W1144-W1153 HydrophobicContact CE3-CZ3 4.41Å; W1144-W1153 HydrophobicContact CZ3-CE3 4.48Å; W1144-W1153 HydrophobicContact CZ3-CH2 4.24Å; W1144-W1153 HydrophobicContact CZ3-CZ2 4.36Å; W1144-W1153 HydrophobicContact CZ3-CZ3 4.3Å; W1144-W1153 PolarHBondContact O-NE1 3.47Å; A1149-W1153 PolarHBondContact O-N 2.67Å; W1153-F1157 PolarHBondContact O-N 3.12Å |
| 1154 | F | 87.3 | Confident | 84.2 | Confident | 136 Ų | 136 | 47.7 Ų | 47.7 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 176 | -176.7 | -105.6 | 0 | 0 | 0 | 111.8 | G1150 I1156 F1157 C1158 | G1150-F1154 WeakPolarHBondContact O-CB 3.23Å; G1150-F1154 PolarHBondContact O-N 3Å; G1150-F1154 VanDerWaalsContact O-N 3.09Å; F1154-I1156 VanDerWaalsContact C-N 3.32Å; F1154-I1156 PolarHBondContact O-N 3.29Å; F1154-F1157 PolarHBondContact O-N 3.21Å; F1154-C1158 WeakPolarHBondContact CZ-SG 3.48Å; F1154-C1158 PolarHBondContact O-N 3.37Å |
| 1155 | G | 87.2 | Confident | 85 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1151 T1152 L1159 | L1151-G1155 WeakPolarHBondContact O-CA 3.3Å; L1151-G1155 PolarHBondContact O-N 3.05Å; T1152-G1155 PolarHBondContact O-N 3.03Å; G1155-L1159 WeakPolarHBondContact O-CB 3.29Å; G1155-L1159 WeakPolarHBondContact O-CG 3.38Å; G1155-L1159 PolarHBondContact O-N 3.08Å |
| 1156 | I | 88.7 | Confident | 85.7 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 175.4 | -77.6 | 154.6 | 0 | 0 | 0 | 111.8 | F1081 F1084 I1085 L1088 W1144 T1152 F1154 T1160 | F1081-I1156 HydrophobicContact CD2-CD1 4.22Å; F1081-I1156 HydrophobicContact CD2-CG1 4.33Å; F1081-I1156 HydrophobicContact CE2-CD1 3.76Å; F1081-I1156 HydrophobicContact CE2-CG1 3.62Å; F1081-I1156 HydrophobicContact CZ-CG1 4.29Å; F1084-I1156 HydrophobicContact CD1-CD1 3.65Å; F1084-I1156 HydrophobicContact CD1-CG1 4.17Å; F1084-I1156 HydrophobicContact CD1-CG2 4.49Å; F1084-I1156 HydrophobicContact CE1-CD1 3.89Å; F1084-I1156 HydrophobicContact CE1-CG2 4.32Å; I1085-I1156 HydrophobicContact CD1-CG1 4.25Å; I1085-I1156 HydrophobicContact CG1-CG1 3.74Å; L1088-I1156 HydrophobicContact CD1-CG2 3.34Å; W1144-I1156 HydrophobicContact CH2-CD1 3.46Å; W1144-I1156 VanDerWaalsContact CH2-CD1 3.46Å; W1144-I1156 HydrophobicContact CZ3-CD1 3.28Å; T1152-I1156 WeakPolarHBondContact O-CB 3.2Å; T1152-I1156 VanDerWaalsContact O-CD1 3.28Å; T1152-I1156 WeakPolarHBondContact O-CD1 2.98Å; T1152-I1156 VanDerWaalsContact O-CG1 3.3Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.41Å; T1152-I1156 PolarHBondContact O-N 3.2Å; F1154-I1156 VanDerWaalsContact C-N 3.32Å; F1154-I1156 PolarHBondContact O-N 3.29Å; I1156-T1160 WeakPolarHBondContact O-CB 3.24Å; I1156-T1160 PolarHBondContact O-N 3Å; I1156-T1160 PolarHBondContact O-OG1 3.18Å |
| 1157 | F | 90.5 | Very high | 86.6 | Confident | 134 Ų | 134 | 47.9 Ų | 47.9 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.5 | -52 | 179.2 | 179.9 | -101.8 | 0 | 0 | 0 | 111 | W1153 F1154 I1161 | W1153-F1157 PolarHBondContact O-N 3.12Å; F1154-F1157 PolarHBondContact O-N 3.21Å; F1157-I1161 HydrophobicContact CD1-CD1 3.97Å; F1157-I1161 HydrophobicContact CD2-CD1 4.07Å; F1157-I1161 HydrophobicContact CE1-CD1 3.54Å; F1157-I1161 HydrophobicContact CE2-CD1 3.65Å; F1157-I1161 HydrophobicContact CG-CD1 4.23Å; F1157-I1161 HydrophobicContact CZ-CD1 3.36Å; F1157-I1161 WeakPolarHBondContact O-CG1 3.35Å; F1157-I1161 PolarHBondContact O-N 3.44Å |
| 1158 | C | 92.1 | Very high | 87.8 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 32% | 0.324 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | -179.8 | -70.4 | 0 | 0 | 0 | 0 | 113.1 | F1154 I1161 L1162 | F1154-C1158 WeakPolarHBondContact CZ-SG 3.48Å; F1154-C1158 PolarHBondContact O-N 3.37Å; C1158-I1161 PolarHBondContact O-N 3.34Å; C1158-L1162 VanDerWaalsContact O-CB 3.23Å; C1158-L1162 WeakPolarHBondContact O-CB 3.18Å; C1158-L1162 PolarHBondContact O-N 3.26Å |
| 1159 | L | 92.9 | Very high | 88.9 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -35.2 | -178.7 | -67.9 | 177.8 | 0 | 0 | 0 | 112.4 | I1050 L1058 I1085 G1155 A1163 | I1050-L1159 HydrophobicContact CG2-CD2 4.13Å; L1058-L1159 HydrophobicContact CD1-CD1 3.75Å; L1058-L1159 HydrophobicContact CD1-CG 4.27Å; I1085-L1159 HydrophobicContact CD1-CD1 3.79Å; I1085-L1159 HydrophobicContact CG2-CB 4.49Å; G1155-L1159 WeakPolarHBondContact O-CB 3.29Å; G1155-L1159 WeakPolarHBondContact O-CG 3.38Å; G1155-L1159 PolarHBondContact O-N 3.08Å; L1159-A1163 WeakPolarHBondContact O-CB 3.3Å; L1159-A1163 PolarHBondContact O-N 2.9Å |
| 1160 | T | 92.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | L1088 I1089 I1092 I1156 L1164 | L1088-T1160 HydrophobicContact CB-CG2 4.5Å; I1089-T1160 HydrophobicContact CG1-CG2 4.2Å; I1092-T1160 HydrophobicContact CD1-CG2 3.74Å; I1156-T1160 WeakPolarHBondContact O-CB 3.24Å; I1156-T1160 PolarHBondContact O-N 3Å; I1156-T1160 PolarHBondContact O-OG1 3.18Å; T1160-L1164 HydrophobicContact CG2-CD1 3.86Å; T1160-L1164 WeakPolarHBondContact O-CB 3.46Å; T1160-L1164 WeakPolarHBondContact O-CD1 3.22Å; T1160-L1164 VanDerWaalsContact O-CG 3.22Å; T1160-L1164 WeakPolarHBondContact O-CG 3.44Å; T1160-L1164 PolarHBondContact O-N 3.48Å; T1160-L1164 VanDerWaalsContact O-N 3.14Å |
| 1161 | I | 92.4 | Very high | 90 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 173.1 | -70.4 | 171.8 | 0 | 0 | 0 | 110.6 | F1157 C1158 A1163 L1164 I1165 | F1157-I1161 HydrophobicContact CD1-CD1 3.97Å; F1157-I1161 HydrophobicContact CD2-CD1 4.07Å; F1157-I1161 HydrophobicContact CE1-CD1 3.54Å; F1157-I1161 HydrophobicContact CE2-CD1 3.65Å; F1157-I1161 HydrophobicContact CG-CD1 4.23Å; F1157-I1161 HydrophobicContact CZ-CD1 3.36Å; F1157-I1161 WeakPolarHBondContact O-CG1 3.35Å; F1157-I1161 PolarHBondContact O-N 3.44Å; C1158-I1161 PolarHBondContact O-N 3.34Å; I1161-A1163 VanDerWaalsContact C-N 3.28Å; I1161-A1163 PolarHBondContact O-N 2.75Å; I1161-L1164 PolarHBondContact O-N 3.32Å; I1161-I1165 HydrophobicContact CG2-CD1 4.4Å; I1161-I1165 HydrophobicContact CG2-CG1 4.47Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.32Å; I1161-I1165 PolarHBondContact O-N 2.87Å; I1161-I1165 VanDerWaalsContact O-N 3.1Å |
| 1162 | L | 93.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 40% | 0.403 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | -178.7 | -177.9 | 62.1 | 0 | 0 | 0 | 112.3 | I1050 C1158 | I1050-L1162 HydrophobicContact CD1-CD2 4.07Å; I1050-L1162 HydrophobicContact CD1-CG 4.28Å; I1050-L1162 HydrophobicContact CG2-CB 4.37Å; I1050-L1162 HydrophobicContact CG2-CD2 4.19Å; I1050-L1162 HydrophobicContact CG2-CG 4.23Å; C1158-L1162 VanDerWaalsContact O-CB 3.23Å; C1158-L1162 WeakPolarHBondContact O-CB 3.18Å; C1158-L1162 PolarHBondContact O-N 3.26Å |
| 1163 | A | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W1046 H1047 I1050 I1089 L1159 I1161 P1166 | W1046-A1163 PolarHBondContact NE1-O 2.95Å; H1047-A1163 PolarHBondContact CD2-O 3.32Å; H1047-A1163 PolarHBondContact NE2-O 3.04Å; I1050-A1163 HydrophobicContact CB-CB 4.41Å; I1050-A1163 HydrophobicContact CG2-CB 4.09Å; I1089-A1163 HydrophobicContact CD1-CB 3.54Å; I1089-A1163 HydrophobicContact CG1-CB 4.05Å; L1159-A1163 WeakPolarHBondContact O-CB 3.3Å; L1159-A1163 PolarHBondContact O-N 2.9Å; I1161-A1163 VanDerWaalsContact C-N 3.28Å; I1161-A1163 PolarHBondContact O-N 2.75Å; A1163-P1166 VanDerWaalsContact O-CD 3.31Å; A1163-P1166 WeakPolarHBondContact O-CD 3.3Å |
| 1164 | L | 93.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -83.2 | -8.1 | -171.3 | -66.8 | 172.6 | 0 | 0 | 0 | 115.7 | I1089 I1092 L1096 T1160 I1161 D1167 L1168 | I1089-L1164 HydrophobicContact CG2-CD2 4.06Å; I1092-L1164 HydrophobicContact CB-CD1 4.02Å; I1092-L1164 HydrophobicContact CD1-CD1 4.38Å; I1092-L1164 HydrophobicContact CG2-CD1 3.54Å; L1096-L1164 HydrophobicContact CD1-CD2 4.07Å; T1160-L1164 HydrophobicContact CG2-CD1 3.86Å; T1160-L1164 WeakPolarHBondContact O-CB 3.46Å; T1160-L1164 WeakPolarHBondContact O-CD1 3.22Å; T1160-L1164 VanDerWaalsContact O-CG 3.22Å; T1160-L1164 WeakPolarHBondContact O-CG 3.44Å; T1160-L1164 PolarHBondContact O-N 3.48Å; T1160-L1164 VanDerWaalsContact O-N 3.14Å; I1161-L1164 PolarHBondContact O-N 3.32Å; L1164-D1167 WeakPolarHBondContact O-CB 3.38Å; L1164-D1167 PolarHBondContact O-N 3.35Å; L1164-D1167 VanDerWaalsContact O-N 3.13Å; L1164-L1168 PolarHBondContact O-N 3.24Å; L1164-L1168 VanDerWaalsContact O-N 3.15Å |
| 1165 | I | 92.9 | Very high | 90.8 | Very high | 77 Ų | 77 | 53 Ų | 53 | 40% | 0.395 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53 | -48 | 178.1 | -77.6 | 164.8 | 0 | 0 | 0 | 112.9 | I1161 D1167 L1168 I1169 | I1161-I1165 HydrophobicContact CG2-CD1 4.4Å; I1161-I1165 HydrophobicContact CG2-CG1 4.47Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.32Å; I1161-I1165 PolarHBondContact O-N 2.87Å; I1161-I1165 VanDerWaalsContact O-N 3.1Å; I1165-D1167 VanDerWaalsContact C-N 3.3Å; I1165-D1167 PolarHBondContact O-N 2.93Å; I1165-L1168 PolarHBondContact O-N 3Å; I1165-I1169 HydrophobicContact CG2-CD1 3.8Å; I1165-I1169 WeakPolarHBondContact O-CG1 3.27Å; I1165-I1169 PolarHBondContact O-N 3.3Å; I1165-I1169 VanDerWaalsContact O-N 3.1Å |
| 1166 | P | 92.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 21% | 0.214 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -33 | 178.2 | -25.2 | 37.8 | 0 | 0 | 0 | 113.7 | L1043 A1163 I1169 I1170 | L1043-P1166 HydrophobicContact CD2-CB 4.08Å; A1163-P1166 VanDerWaalsContact O-CD 3.31Å; A1163-P1166 WeakPolarHBondContact O-CD 3.3Å; P1166-I1169 PolarHBondContact O-N 3.03Å; P1166-I1170 VanDerWaalsContact O-CG1 3.28Å; P1166-I1170 WeakPolarHBondContact O-CG1 3.26Å; P1166-I1170 PolarHBondContact O-N 3.2Å |
| 1167 | D | 91.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.8 | -93.4 | -42.2 | 0 | 0 | 0 | 111.6 | H1047 K1093 L1096 L1164 I1165 I1169 I1170 R1171 | H1047-D1167 IonicContact CE1-OD2 3.62Å; H1047-D1167 PolarHBondContact CE1-OD2 3.34Å; H1047-D1167 IonicContact NE2-OD2 3.61Å; K1093-D1167 IonicContact NZ-OD1 2.77Å; K1093-D1167 PolarHBondContact NZ-OD1 3.15Å; K1093-D1167 IonicContact NZ-OD2 2.63Å; K1093-D1167 PolarHBondContact NZ-OD2 3.44Å; L1096-D1167 HydrophobicContact CD1-CB 4.17Å; L1164-D1167 WeakPolarHBondContact O-CB 3.38Å; L1164-D1167 PolarHBondContact O-N 3.35Å; L1164-D1167 VanDerWaalsContact O-N 3.13Å; I1165-D1167 VanDerWaalsContact C-N 3.3Å; I1165-D1167 PolarHBondContact O-N 2.93Å; D1167-I1169 PolarHBondContact O-N 3.09Å; D1167-I1170 PolarHBondContact O-N 2.87Å; D1167-R1171 WeakPolarHBondContact O-CB 3.49Å; D1167-R1171 PolarHBondContact O-N 3.42Å |
| 1168 | L | 91.4 | Very high | 90.1 | Very high | 88 Ų | 88 | 59 Ų | 59 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.3 | -67.4 | 169.5 | 0 | 0 | 0 | 112.2 | L1096 L1164 I1165 T1172 | L1096-L1168 HydrophobicContact CD1-CD2 4.34Å; L1096-L1168 HydrophobicContact CD2-CD2 3.71Å; L1164-L1168 PolarHBondContact O-N 3.24Å; L1164-L1168 VanDerWaalsContact O-N 3.15Å; I1165-L1168 PolarHBondContact O-N 3Å; L1168-T1172 WeakPolarHBondContact O-CG2 3.43Å; L1168-T1172 PolarHBondContact O-N 3.21Å; L1168-T1172 PolarHBondContact O-OG1 3.03Å |
| 1169 | I | 92 | Very high | 89.6 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 48% | 0.482 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 176.8 | -65.6 | 166.8 | 0 | 0 | 0 | 110.5 | I1165 P1166 D1167 R1171 T1172 I1173 | I1165-I1169 HydrophobicContact CG2-CD1 3.8Å; I1165-I1169 WeakPolarHBondContact O-CG1 3.27Å; I1165-I1169 PolarHBondContact O-N 3.3Å; I1165-I1169 VanDerWaalsContact O-N 3.1Å; P1166-I1169 PolarHBondContact O-N 3.03Å; D1167-I1169 PolarHBondContact O-N 3.09Å; I1169-R1171 VanDerWaalsContact C-N 3.34Å; I1169-R1171 PolarHBondContact O-N 3.45Å; I1169-T1172 PolarHBondContact O-N 2.89Å; I1169-T1172 PolarHBondContact O-OG1 3.43Å; I1169-I1173 HydrophobicContact CG2-CD1 3.96Å; I1169-I1173 WeakPolarHBondContact O-CD1 3.37Å; I1169-I1173 VanDerWaalsContact O-CG1 3.3Å; I1169-I1173 WeakPolarHBondContact O-CG1 3.47Å; I1169-I1173 PolarHBondContact O-N 3.19Å |
| 1170 | I | 89.8 | Confident | 89.3 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.297 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 177.3 | -68.9 | 166.1 | 0 | 0 | 0 | 110.2 | I1039 L1043 P1166 D1167 T1172 I1173 E1174 | I1039-I1170 HydrophobicContact CG2-CD1 4.46Å; L1043-I1170 HydrophobicContact CD1-CD1 3.99Å; L1043-I1170 HydrophobicContact CD2-CD1 4.1Å; L1043-I1170 HydrophobicContact CG-CD1 4.48Å; P1166-I1170 VanDerWaalsContact O-CG1 3.28Å; P1166-I1170 WeakPolarHBondContact O-CG1 3.26Å; P1166-I1170 PolarHBondContact O-N 3.2Å; D1167-I1170 PolarHBondContact O-N 2.87Å; I1170-T1172 PolarHBondContact O-N 3Å; I1170-I1173 PolarHBondContact O-N 3.33Å; I1170-E1174 HydrophobicContact CG2-CG 4.42Å; I1170-E1174 WeakPolarHBondContact O-CG 3.24Å; I1170-E1174 PolarHBondContact O-N 2.92Å |
| 1171 | R | 88.3 | Confident | 89 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | -179.5 | 178.4 | 63.3 | -166.1 | -143.2 | 14.9 | 112.8 | L1096 I1097 Y1099 D1167 I1169 I1173 E1174 D1175 | L1096-R1171 PolarHBondContact O-NH1 3.24Å; I1097-R1171 PolarHBondContact O-NH1 3.43Å; Y1099-R1171 VanDerWaalsContact CE2-NH1 3.34Å; Y1099-R1171 VanDerWaalsContact CZ-CZ 3.48Å; D1167-R1171 WeakPolarHBondContact O-CB 3.49Å; D1167-R1171 PolarHBondContact O-N 3.42Å; I1169-R1171 VanDerWaalsContact C-N 3.34Å; I1169-R1171 PolarHBondContact O-N 3.45Å; R1171-I1173 VanDerWaalsContact C-N 3.34Å; R1171-I1173 PolarHBondContact O-N 3.36Å; R1171-E1174 PolarHBondContact O-N 3.28Å; R1171-D1175 IonicContact CZ-OD1 3.35Å; R1171-D1175 IonicContact CZ-OD2 2.7Å; R1171-D1175 VanDerWaalsContact NE-CG 3.3Å; R1171-D1175 IonicContact NE-OD1 3Å; R1171-D1175 PolarHBondContact NE-OD1 3.42Å; R1171-D1175 IonicContact NE-OD2 2.61Å; R1171-D1175 PolarHBondContact NE-OD2 3.42Å; R1171-D1175 IonicContact NH2-OD1 2.72Å; R1171-D1175 PolarHBondContact NH2-OD1 2.84Å; R1171-D1175 IonicContact NH2-OD2 3.66Å; R1171-D1175 PolarHBondContact NH2-OD2 3.23Å; R1171-D1175 PolarHBondContact O-N 2.82Å |
| 1172 | T | 89.7 | Confident | 88.5 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | L1168 I1169 I1170 Q1176 | L1168-T1172 WeakPolarHBondContact O-CG2 3.43Å; L1168-T1172 PolarHBondContact O-N 3.21Å; L1168-T1172 PolarHBondContact O-OG1 3.03Å; I1169-T1172 PolarHBondContact O-N 2.89Å; I1169-T1172 PolarHBondContact O-OG1 3.43Å; I1170-T1172 PolarHBondContact O-N 3Å; T1172-Q1176 WeakPolarHBondContact O-CB 3.2Å; T1172-Q1176 VanDerWaalsContact O-CG 3.3Å; T1172-Q1176 WeakPolarHBondContact O-CG 3.32Å; T1172-Q1176 PolarHBondContact O-N 3.34Å; T1172-Q1176 VanDerWaalsContact O-N 3.14Å |
| 1173 | I | 90.2 | Very high | 88.1 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 173.4 | -65.4 | 166.1 | 0 | 0 | 0 | 111.2 | I1169 I1170 R1171 G1177 | I1169-I1173 HydrophobicContact CG2-CD1 3.96Å; I1169-I1173 WeakPolarHBondContact O-CD1 3.37Å; I1169-I1173 VanDerWaalsContact O-CG1 3.3Å; I1169-I1173 WeakPolarHBondContact O-CG1 3.47Å; I1169-I1173 PolarHBondContact O-N 3.19Å; I1170-I1173 PolarHBondContact O-N 3.33Å; R1171-I1173 VanDerWaalsContact C-N 3.34Å; R1171-I1173 PolarHBondContact O-N 3.36Å; I1173-G1177 PolarHBondContact O-N 3.13Å |
| 1174 | E | 85.5 | Confident | 87.8 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 41% | 0.407 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 178.6 | -71.8 | -169.8 | 151.4 | 0 | 0 | 112.3 | I1170 R1171 G1177 W1178 | I1170-E1174 HydrophobicContact CG2-CG 4.42Å; I1170-E1174 WeakPolarHBondContact O-CG 3.24Å; I1170-E1174 PolarHBondContact O-N 2.92Å; R1171-E1174 PolarHBondContact O-N 3.28Å; E1174-G1177 PolarHBondContact O-N 3.4Å; E1174-W1178 VanDerWaalsContact O-CD1 3.3Å; E1174-W1178 PolarHBondContact O-N 2.95Å |
| 1175 | D | 84.8 | Confident | 87.4 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 179.1 | -76.5 | -28.6 | 0 | 0 | 0 | 111.9 | Y1099 R1171 W1178 Q1179 | Y1099-D1175 VanDerWaalsContact CE1-OD1 3.25Å; Y1099-D1175 WeakPolarHBondContact CE1-OD1 3.24Å; Y1099-D1175 PolarHBondContact OH-OD1 3.5Å; R1171-D1175 IonicContact CZ-OD1 3.35Å; R1171-D1175 IonicContact CZ-OD2 2.7Å; R1171-D1175 VanDerWaalsContact NE-CG 3.3Å; R1171-D1175 IonicContact NE-OD1 3Å; R1171-D1175 PolarHBondContact NE-OD1 3.42Å; R1171-D1175 IonicContact NE-OD2 2.61Å; R1171-D1175 PolarHBondContact NE-OD2 3.42Å; R1171-D1175 IonicContact NH2-OD1 2.72Å; R1171-D1175 PolarHBondContact NH2-OD1 2.84Å; R1171-D1175 IonicContact NH2-OD2 3.66Å; R1171-D1175 PolarHBondContact NH2-OD2 3.23Å; R1171-D1175 PolarHBondContact O-N 2.82Å; D1175-W1178 PolarHBondContact O-N 3.2Å; D1175-Q1179 WeakPolarHBondContact O-CG 3.24Å; D1175-Q1179 PolarHBondContact O-N 3.38Å |
| 1176 | Q | 86.5 | Confident | 87 | Confident | 136 Ų | 136 | 73.4 Ų | 73.4 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 174.8 | -75.3 | -179.5 | -0.1 | 0 | 0 | 111.8 | T1172 W1178 Q1179 W1180 | T1172-Q1176 WeakPolarHBondContact O-CB 3.2Å; T1172-Q1176 VanDerWaalsContact O-CG 3.3Å; T1172-Q1176 WeakPolarHBondContact O-CG 3.32Å; T1172-Q1176 PolarHBondContact O-N 3.34Å; T1172-Q1176 VanDerWaalsContact O-N 3.14Å; Q1176-W1178 VanDerWaalsContact C-N 3.33Å; Q1176-W1178 PolarHBondContact O-N 3.26Å; Q1176-Q1179 PolarHBondContact O-N 3.39Å; Q1176-W1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-W1180 PolarHBondContact O-N 3.04Å |
| 1177 | G | 83.6 | Confident | 86.7 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1173 E1174 R1181 | I1173-G1177 PolarHBondContact O-N 3.13Å; E1174-G1177 PolarHBondContact O-N 3.4Å; G1177-R1181 WeakPolarHBondContact O-CB 3.35Å; G1177-R1181 PolarHBondContact O-N 2.85Å |
| 1178 | W | 81.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 37% | 0.367 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 175.7 | -88.2 | 114 | 0 | 0 | 0 | 113.4 | I1011 L1022 E1174 D1175 Q1176 W1180 R1181 I1182 | I1011-W1178 HydrophobicContact CD1-CH2 3.89Å; I1011-W1178 HydrophobicContact CD1-CZ3 3.93Å; L1022-W1178 HydrophobicContact CD2-CZ3 4.08Å; E1174-W1178 VanDerWaalsContact O-CD1 3.3Å; E1174-W1178 PolarHBondContact O-N 2.95Å; D1175-W1178 PolarHBondContact O-N 3.2Å; Q1176-W1178 VanDerWaalsContact C-N 3.33Å; Q1176-W1178 PolarHBondContact O-N 3.26Å; W1178-W1180 PolarHBondContact O-N 2.97Å; W1178-R1181 PolarHBondContact O-N 3.11Å; W1178-I1182 WeakPolarHBondContact O-CG1 3.46Å; W1178-I1182 PolarHBondContact O-N 3.33Å |
| 1179 | Q | 82.3 | Confident | 85.7 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.9 | -72.4 | -177.6 | 7.9 | 0 | 0 | 111.5 | D1175 Q1176 R1181 I1182 N1183 | D1175-Q1179 WeakPolarHBondContact O-CG 3.24Å; D1175-Q1179 PolarHBondContact O-N 3.38Å; Q1176-Q1179 PolarHBondContact O-N 3.39Å; Q1179-R1181 PolarHBondContact O-N 3.22Å; Q1179-I1182 PolarHBondContact O-N 2.98Å; Q1179-N1183 WeakPolarHBondContact O-CB 3.18Å; Q1179-N1183 VanDerWaalsContact O-CG 3.27Å; Q1179-N1183 PolarHBondContact O-N 3.46Å; Q1179-N1183 PolarHBondContact O-ND2 2.77Å |
| 1180 | W | 86.8 | Confident | 85.2 | Confident | 164 Ų | 164 | 81 Ų | 81 | 62% | 0.621 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58 | -47 | 173.9 | 177.8 | 84.9 | 0 | 0 | 0 | 111.7 | Q1176 W1178 I1182 N1183 N1184 | Q1176-W1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-W1180 PolarHBondContact O-N 3.04Å; W1178-W1180 PolarHBondContact O-N 2.97Å; W1180-I1182 PolarHBondContact O-N 2.8Å; W1180-N1183 PolarHBondContact O-N 2.89Å; W1180-N1184 VanDerWaalsContact CH2-ND2 3.3Å; W1180-N1184 WeakPolarHBondContact CH2-ND2 3.39Å; W1180-N1184 WeakPolarHBondContact CZ2-ND2 3.47Å; W1180-N1184 VanDerWaalsContact O-CG 3.31Å; W1180-N1184 PolarHBondContact O-N 2.68Å; W1180-N1184 PolarHBondContact O-OD1 3.04Å |
| 1181 | R | 85.1 | Confident | 84.9 | Confident | 99 Ų | 99 | 84 Ų | 84 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | -179.7 | -175.5 | 58.6 | 173.9 | 167.3 | 2.6 | 112.7 | G1177 W1178 Q1179 L1185 | G1177-R1181 WeakPolarHBondContact O-CB 3.35Å; G1177-R1181 PolarHBondContact O-N 2.85Å; W1178-R1181 PolarHBondContact O-N 3.11Å; Q1179-R1181 PolarHBondContact O-N 3.22Å; R1181-L1185 HydrophobicContact CG-CD1 4.36Å; R1181-L1185 VanDerWaalsContact O-CG 3.31Å; R1181-L1185 WeakPolarHBondContact O-CG 3.47Å; R1181-L1185 PolarHBondContact O-N 3.37Å; R1181-L1185 VanDerWaalsContact O-N 3.12Å |
| 1182 | I | 82.6 | Confident | 84.2 | Confident | 28 Ų | 28 | 88.7 Ų | 88.7 | 14% | 0.144 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 178.1 | -67.5 | 169.4 | 0 | 0 | 0 | 111 | W1178 Q1179 W1180 L1185 R1186 | W1178-I1182 WeakPolarHBondContact O-CG1 3.46Å; W1178-I1182 PolarHBondContact O-N 3.33Å; Q1179-I1182 PolarHBondContact O-N 2.98Å; W1180-I1182 PolarHBondContact O-N 2.8Å; I1182-L1185 PolarHBondContact O-N 3.22Å; I1182-R1186 WeakPolarHBondContact O-CG 3.31Å; I1182-R1186 PolarHBondContact O-N 2.72Å |
| 1183 | N | 86.4 | Confident | 83.5 | Confident | 82 Ų | 82 | 90.9 Ų | 90.9 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 177.4 | -72.2 | -19.7 | 0 | 0 | 0 | 111.7 | Q1179 W1180 L1185 R1186 E1187 | Q1179-N1183 WeakPolarHBondContact O-CB 3.18Å; Q1179-N1183 VanDerWaalsContact O-CG 3.27Å; Q1179-N1183 PolarHBondContact O-N 3.46Å; Q1179-N1183 PolarHBondContact O-ND2 2.77Å; W1180-N1183 PolarHBondContact O-N 2.89Å; N1183-L1185 PolarHBondContact O-N 2.98Å; N1183-R1186 WeakPolarHBondContact O-CB 3.27Å; N1183-R1186 PolarHBondContact O-N 3.12Å; N1183-E1187 PolarHBondContact O-N 2.87Å |
| 1184 | N | 87.6 | Confident | 82.7 | Confident | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 175 | -70.7 | 8.5 | 0 | 0 | 0 | 112.3 | W1180 R1186 E1187 E1188 | W1180-N1184 VanDerWaalsContact CH2-ND2 3.3Å; W1180-N1184 WeakPolarHBondContact CH2-ND2 3.39Å; W1180-N1184 WeakPolarHBondContact CZ2-ND2 3.47Å; W1180-N1184 VanDerWaalsContact O-CG 3.31Å; W1180-N1184 PolarHBondContact O-N 2.68Å; W1180-N1184 PolarHBondContact O-OD1 3.04Å; N1184-R1186 VanDerWaalsContact C-N 3.29Å; N1184-R1186 PolarHBondContact O-N 3.1Å; N1184-E1187 WeakPolarHBondContact O-CB 3.38Å; N1184-E1187 PolarHBondContact O-N 3.47Å; N1184-E1187 VanDerWaalsContact O-N 3.08Å; N1184-E1188 WeakPolarHBondContact O-CG 3.46Å; N1184-E1188 PolarHBondContact O-N 3.35Å |
| 1185 | L | 83.5 | Confident | 82 | Confident | 6 Ų | 6 | 94 Ų | 94 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 177.9 | -71.7 | 170.6 | 0 | 0 | 0 | 111.9 | F1019 I1021 L1022 R1181 I1182 N1183 E1188 L1189 | F1019-L1185 HydrophobicContact CD1-CB 3.73Å; F1019-L1185 HydrophobicContact CD1-CD1 4.31Å; F1019-L1185 HydrophobicContact CD1-CG 4.47Å; F1019-L1185 HydrophobicContact CE1-CB 3.57Å; F1019-L1185 HydrophobicContact CG-CB 4.48Å; F1019-L1185 HydrophobicContact CG-CD1 4.46Å; F1019-L1185 HydrophobicContact CZ-CB 4.22Å; I1021-L1185 HydrophobicContact CG2-CD1 4.35Å; I1021-L1185 HydrophobicContact CG2-CD2 4.05Å; L1022-L1185 HydrophobicContact CD2-CD1 3.86Å; R1181-L1185 HydrophobicContact CG-CD1 4.36Å; R1181-L1185 VanDerWaalsContact O-CG 3.31Å; R1181-L1185 WeakPolarHBondContact O-CG 3.47Å; R1181-L1185 PolarHBondContact O-N 3.37Å; R1181-L1185 VanDerWaalsContact O-N 3.12Å; I1182-L1185 PolarHBondContact O-N 3.22Å; N1183-L1185 PolarHBondContact O-N 2.98Å; L1185-E1188 PolarHBondContact O-N 2.84Å; L1185-L1189 PolarHBondContact O-N 2.94Å |
| 1186 | R | 86.2 | Confident | 80.9 | Confident | 96 Ų | 96 | 94.2 Ų | 94.2 | 36% | 0.362 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 172 | -74.8 | 172.6 | 170.9 | 162.7 | -0.6 | 112.7 | F1019 I1182 N1183 N1184 K1190 | F1019-R1186 HydrophobicContact CE2-CG 4.08Å; F1019-R1186 HydrophobicContact CZ-CB 4.44Å; F1019-R1186 HydrophobicContact CZ-CG 3.56Å; I1182-R1186 WeakPolarHBondContact O-CG 3.31Å; I1182-R1186 PolarHBondContact O-N 2.72Å; N1183-R1186 WeakPolarHBondContact O-CB 3.27Å; N1183-R1186 PolarHBondContact O-N 3.12Å; N1184-R1186 VanDerWaalsContact C-N 3.29Å; N1184-R1186 PolarHBondContact O-N 3.1Å; R1186-K1190 WeakPolarHBondContact O-CB 3.29Å; R1186-K1190 VanDerWaalsContact O-CG 3.28Å; R1186-K1190 WeakPolarHBondContact O-CG 3.46Å; R1186-K1190 PolarHBondContact O-N 3.4Å |
| 1187 | E | 86.1 | Confident | 79.9 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 174.6 | -73 | -174.9 | -171.5 | 0 | 0 | 112.3 | N1183 N1184 K1190 K1191 | N1183-E1187 PolarHBondContact O-N 2.87Å; N1184-E1187 WeakPolarHBondContact O-CB 3.38Å; N1184-E1187 PolarHBondContact O-N 3.47Å; N1184-E1187 VanDerWaalsContact O-N 3.08Å; E1187-K1190 PolarHBondContact O-N 2.9Å; E1187-K1191 WeakPolarHBondContact O-CG 3.28Å; E1187-K1191 PolarHBondContact O-N 3.07Å |
| 1188 | E | 82.7 | Confident | 78.9 | Confident | 88 Ų | 88 | 97 Ų | 97 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.1 | -73.9 | 172.5 | -160.8 | 0 | 0 | 111.6 | N1184 L1185 K1190 K1191 K1192 | N1184-E1188 WeakPolarHBondContact O-CG 3.46Å; N1184-E1188 PolarHBondContact O-N 3.35Å; L1185-E1188 PolarHBondContact O-N 2.84Å; E1188-K1190 PolarHBondContact O-N 3.48Å; E1188-K1191 PolarHBondContact O-N 3.27Å; E1188-K1192 WeakPolarHBondContact O-CG 3.18Å; E1188-K1192 PolarHBondContact O-N 3.48Å |
| 1189 | L | 79.3 | Confident | 77.4 | Confident | 64 Ų | 64 | 99.2 Ų | 99.2 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.3 | -76.7 | -173.5 | 0 | 0 | 0 | 112.1 | F1019 L1185 K1191 K1192 Q1193 | F1019-L1189 HydrophobicContact CD1-CD1 4.06Å; F1019-L1189 HydrophobicContact CE1-CD1 3.27Å; F1019-L1189 HydrophobicContact CE1-CG 3.8Å; F1019-L1189 HydrophobicContact CZ-CD1 3.73Å; L1185-L1189 PolarHBondContact O-N 2.94Å; L1189-K1191 VanDerWaalsContact C-N 3.3Å; L1189-K1191 PolarHBondContact O-N 3.13Å; L1189-K1192 PolarHBondContact O-N 2.87Å; L1189-Q1193 WeakPolarHBondContact O-CB 3.32Å; L1189-Q1193 WeakPolarHBondContact O-CG 3.43Å; L1189-Q1193 PolarHBondContact O-N 3.19Å |
| 1190 | K | 82.2 | Confident | 75.9 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.7 | -36.1 | 175.9 | -76.2 | 172.2 | -179.4 | 179.1 | 0 | 112.4 | R1186 E1187 E1188 K1194 | R1186-K1190 WeakPolarHBondContact O-CB 3.29Å; R1186-K1190 VanDerWaalsContact O-CG 3.28Å; R1186-K1190 WeakPolarHBondContact O-CG 3.46Å; R1186-K1190 PolarHBondContact O-N 3.4Å; E1187-K1190 PolarHBondContact O-N 2.9Å; E1188-K1190 PolarHBondContact O-N 3.48Å; K1190-K1194 WeakPolarHBondContact O-CG 3.49Å; K1190-K1194 PolarHBondContact O-N 3.48Å; K1190-K1194 VanDerWaalsContact O-N 3.12Å |
| 1191 | K | 81.8 | Confident | 74.3 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -53.4 | 173.8 | -74 | 172.2 | -177.7 | 175.3 | 0 | 110.8 | E1187 E1188 L1189 Q1193 K1194 E1195 | E1187-K1191 WeakPolarHBondContact O-CG 3.28Å; E1187-K1191 PolarHBondContact O-N 3.07Å; E1188-K1191 PolarHBondContact O-N 3.27Å; L1189-K1191 VanDerWaalsContact C-N 3.3Å; L1189-K1191 PolarHBondContact O-N 3.13Å; K1191-Q1193 VanDerWaalsContact C-N 3.3Å; K1191-Q1193 PolarHBondContact O-N 2.95Å; K1191-K1194 WeakPolarHBondContact O-CA 3.19Å; K1191-K1194 WeakPolarHBondContact O-CB 3.26Å; K1191-K1194 PolarHBondContact O-N 3.42Å; K1191-E1195 WeakPolarHBondContact O-CG 3.23Å; K1191-E1195 PolarHBondContact O-N 2.82Å |
| 1192 | K | 74.8 | Confident | 72.7 | Confident | 140 Ų | 140 | 97.6 Ų | 97.6 | 61% | 0.609 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.9 | -39.7 | 177.5 | -71.2 | -175.8 | 176 | -173.5 | 0 | 113.1 | E1188 L1189 E1195 S1196 | E1188-K1192 WeakPolarHBondContact O-CG 3.18Å; E1188-K1192 PolarHBondContact O-N 3.48Å; L1189-K1192 PolarHBondContact O-N 2.87Å; K1192-E1195 PolarHBondContact O-N 3.2Å; K1192-S1196 WeakPolarHBondContact O-CB 3.2Å; K1192-S1196 PolarHBondContact O-N 2.94Å |
| 1193 | Q | 73.6 | Confident | 70.9 | Confident | 121 Ų | 121 | 99.7 Ų | 99.7 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.3 | -35.4 | 174.9 | -74.9 | 178.7 | -8.9 | 0 | 0 | 113.2 | L1189 K1191 K1197 | L1189-Q1193 WeakPolarHBondContact O-CB 3.32Å; L1189-Q1193 WeakPolarHBondContact O-CG 3.43Å; L1189-Q1193 PolarHBondContact O-N 3.19Å; K1191-Q1193 VanDerWaalsContact C-N 3.3Å; K1191-Q1193 PolarHBondContact O-N 2.95Å; Q1193-K1197 WeakPolarHBondContact O-CG 3.41Å; Q1193-K1197 PolarHBondContact O-N 3.03Å |
| 1194 | K | 73.6 | Confident | 69.1 | Low | 154 Ų | 154 | 98.8 Ų | 98.8 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.7 | -46 | 173.1 | -77.3 | 178.6 | 176.4 | -171.3 | 0 | 111.3 | K1190 K1191 K1197 T1198 | K1190-K1194 WeakPolarHBondContact O-CG 3.49Å; K1190-K1194 PolarHBondContact O-N 3.48Å; K1190-K1194 VanDerWaalsContact O-N 3.12Å; K1191-K1194 WeakPolarHBondContact O-CA 3.19Å; K1191-K1194 WeakPolarHBondContact O-CB 3.26Å; K1191-K1194 PolarHBondContact O-N 3.42Å; K1194-K1197 PolarHBondContact O-N 2.83Å; K1194-T1198 PolarHBondContact O-N 3.1Å; K1194-T1198 PolarHBondContact O-OG1 3.26Å; K1194-T1198 VanDerWaalsContact O-OG1 3.06Å |
| 1195 | E | 71.5 | Confident | 67 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 178.1 | -73.5 | 157.5 | -165.1 | 0 | 0 | 111.4 | K1191 K1192 K1197 T1198 Q1199 | K1191-E1195 WeakPolarHBondContact O-CG 3.23Å; K1191-E1195 PolarHBondContact O-N 2.82Å; K1192-E1195 PolarHBondContact O-N 3.2Å; E1195-K1197 PolarHBondContact O-N 2.83Å; E1195-T1198 PolarHBondContact O-N 3.46Å; E1195-Q1199 WeakPolarHBondContact O-CG 3.43Å; E1195-Q1199 PolarHBondContact O-N 2.89Å |
| 1196 | S | 62 | Low | 65.4 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 34% | 0.343 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | K1192 T1198 Q1199 T1200 | K1192-S1196 WeakPolarHBondContact O-CB 3.2Å; K1192-S1196 PolarHBondContact O-N 2.94Å; S1196-T1198 VanDerWaalsContact C-N 3.31Å; S1196-T1198 PolarHBondContact O-N 3.36Å; S1196-Q1199 PolarHBondContact O-N 2.95Å; S1196-T1200 PolarHBondContact O-N 3.17Å; S1196-T1200 PolarHBondContact O-OG1 2.68Å |
| 1197 | K | 64.3 | Low | 63.4 | Low | 148 Ų | 148 | 107.8 Ų | 107.8 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 177.2 | -74.6 | 178.3 | 180 | -175.1 | 0 | 113.1 | Q1193 K1194 E1195 R1201 | Q1193-K1197 WeakPolarHBondContact O-CG 3.41Å; Q1193-K1197 PolarHBondContact O-N 3.03Å; K1194-K1197 PolarHBondContact O-N 2.83Å; E1195-K1197 PolarHBondContact O-N 2.83Å; K1197-R1201 WeakPolarHBondContact O-CB 3.45Å; K1197-R1201 WeakPolarHBondContact O-CG 3.46Å; K1197-R1201 PolarHBondContact O-N 2.95Å; K1197-R1201 VanDerWaalsContact O-N 3.08Å |
| 1198 | T | 62.5 | Low | 61.7 | Low | 84 Ų | 84 | 107 Ų | 107 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 175.4 | -59 | 0 | 0 | 0 | 0 | 111.2 | K1194 E1195 S1196 T1200 R1201 T1202 | K1194-T1198 PolarHBondContact O-N 3.1Å; K1194-T1198 PolarHBondContact O-OG1 3.26Å; K1194-T1198 VanDerWaalsContact O-OG1 3.06Å; E1195-T1198 PolarHBondContact O-N 3.46Å; S1196-T1198 VanDerWaalsContact C-N 3.31Å; S1196-T1198 PolarHBondContact O-N 3.36Å; T1198-T1200 PolarHBondContact O-N 2.89Å; T1198-R1201 PolarHBondContact O-N 3.16Å; T1198-T1202 PolarHBondContact O-N 2.85Å; T1198-T1202 PolarHBondContact O-OG1 3.09Å |
| 1199 | Q | 51.1 | Low | 59.9 | Low | 144 Ų | 144 | 107.6 Ų | 107.6 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.6 | -47.3 | 175 | -77.1 | -179.8 | -15.4 | 0 | 0 | 111.6 | E1195 S1196 R1201 T1202 S1203 | E1195-Q1199 WeakPolarHBondContact O-CG 3.43Å; E1195-Q1199 PolarHBondContact O-N 2.89Å; S1196-Q1199 PolarHBondContact O-N 2.95Å; Q1199-R1201 VanDerWaalsContact C-N 3.33Å; Q1199-R1201 PolarHBondContact O-N 2.98Å; Q1199-T1202 PolarHBondContact O-N 3.26Å; Q1199-S1203 PolarHBondContact O-N 3.08Å; Q1199-S1203 PolarHBondContact O-OG 3.08Å |
| 1200 | T | 49.5 | Very low | 58.3 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.3 | -52 | 0 | 0 | 0 | 0 | 112.1 | S1196 T1198 S1203 I1204 | S1196-T1200 PolarHBondContact O-N 3.17Å; S1196-T1200 PolarHBondContact O-OG1 2.68Å; T1198-T1200 PolarHBondContact O-N 2.89Å; T1200-S1203 PolarHBondContact O-OG 3.47Å; T1200-S1203 VanDerWaalsContact O-OG 3.08Å; T1200-I1204 HydrophobicContact CG2-CD1 3.94Å; T1200-I1204 WeakPolarHBondContact O-CB 3.17Å; T1200-I1204 WeakPolarHBondContact O-CD1 3.38Å; T1200-I1204 WeakPolarHBondContact O-CG1 3.42Å; T1200-I1204 PolarHBondContact O-N 2.91Å |
| 1201 | R | 55 | Low | 56.4 | Low | 199 Ų | 199 | 107.1 Ų | 107.1 | 75% | 0.751 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | 174.2 | -80.1 | 177.8 | 169.4 | -170.4 | -4.7 | 112.4 | K1197 T1198 Q1199 R1205 | K1197-R1201 WeakPolarHBondContact O-CB 3.45Å; K1197-R1201 WeakPolarHBondContact O-CG 3.46Å; K1197-R1201 PolarHBondContact O-N 2.95Å; K1197-R1201 VanDerWaalsContact O-N 3.08Å; T1198-R1201 PolarHBondContact O-N 3.16Å; Q1199-R1201 VanDerWaalsContact C-N 3.33Å; Q1199-R1201 PolarHBondContact O-N 2.98Å; R1201-R1205 WeakPolarHBondContact O-CB 3.4Å; R1201-R1205 PolarHBondContact O-N 3.08Å |
| 1202 | T | 49.9 | Very low | 54.6 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 179.3 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | T1198 Q1199 R1205 V1206 | T1198-T1202 PolarHBondContact O-N 2.85Å; T1198-T1202 PolarHBondContact O-OG1 3.09Å; Q1199-T1202 PolarHBondContact O-N 3.26Å; T1202-R1205 PolarHBondContact O-N 2.96Å; T1202-V1206 HydrophobicContact CG2-CG2 4.38Å; T1202-V1206 WeakPolarHBondContact O-CB 3.48Å; T1202-V1206 VanDerWaalsContact O-CG2 3.32Å; T1202-V1206 WeakPolarHBondContact O-CG2 3.47Å; T1202-V1206 PolarHBondContact O-N 3.41Å |
| 1203 | S | 45.3 | Very low | 53.3 | Low | 72 Ų | 72 | 107.2 Ų | 107.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.5 | 61.9 | 0 | 0 | 0 | 0 | 112 | Q1199 T1200 V1206 S1207 | Q1199-S1203 PolarHBondContact O-N 3.08Å; Q1199-S1203 PolarHBondContact O-OG 3.08Å; T1200-S1203 PolarHBondContact O-OG 3.47Å; T1200-S1203 VanDerWaalsContact O-OG 3.08Å; S1203-V1206 PolarHBondContact O-N 3.18Å; S1203-S1207 WeakPolarHBondContact O-CB 3.29Å; S1203-S1207 PolarHBondContact O-N 2.91Å; S1203-S1207 PolarHBondContact O-OG 3.16Å |
| 1204 | I | 48.2 | Very low | 51.8 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 33% | 0.328 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 171.7 | -70.8 | 167.4 | 0 | 0 | 0 | 110.2 | T1200 V1206 S1207 I1208 | T1200-I1204 HydrophobicContact CG2-CD1 3.94Å; T1200-I1204 WeakPolarHBondContact O-CB 3.17Å; T1200-I1204 WeakPolarHBondContact O-CD1 3.38Å; T1200-I1204 WeakPolarHBondContact O-CG1 3.42Å; T1200-I1204 PolarHBondContact O-N 2.91Å; I1204-V1206 PolarHBondContact O-N 3.36Å; I1204-S1207 WeakPolarHBondContact CA-OG 3.38Å; I1204-S1207 PolarHBondContact O-N 2.7Å; I1204-S1207 PolarHBondContact O-OG 3.28Å; I1204-I1208 HydrophobicContact CG2-CD1 3.7Å; I1204-I1208 HydrophobicContact CG2-CG1 4.44Å; I1204-I1208 WeakPolarHBondContact O-CG1 3.41Å; I1204-I1208 PolarHBondContact O-N 3.3Å |
| 1205 | R | 44.7 | Very low | 50.5 | Low | 185 Ų | 185 | 105 Ų | 105 | 70% | 0.698 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | -177.8 | -157.4 | 175.7 | -165.6 | 176.5 | 3.4 | 112.7 | R1201 T1202 I1208 M1209 | R1201-R1205 WeakPolarHBondContact O-CB 3.4Å; R1201-R1205 PolarHBondContact O-N 3.08Å; T1202-R1205 PolarHBondContact O-N 2.96Å; R1205-I1208 PolarHBondContact O-N 2.88Å; R1205-M1209 WeakPolarHBondContact O-CG 3.39Å; R1205-M1209 PolarHBondContact O-N 3.35Å |
| 1206 | V | 48.7 | Very low | 49.1 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | T1202 S1203 I1204 I1208 M1209 S1210 | T1202-V1206 HydrophobicContact CG2-CG2 4.38Å; T1202-V1206 WeakPolarHBondContact O-CB 3.48Å; T1202-V1206 VanDerWaalsContact O-CG2 3.32Å; T1202-V1206 WeakPolarHBondContact O-CG2 3.47Å; T1202-V1206 PolarHBondContact O-N 3.41Å; S1203-V1206 PolarHBondContact O-N 3.18Å; I1204-V1206 PolarHBondContact O-N 3.36Å; V1206-I1208 VanDerWaalsContact C-N 3.32Å; V1206-I1208 PolarHBondContact O-N 3.29Å; V1206-M1209 PolarHBondContact O-N 3.35Å; V1206-S1210 PolarHBondContact O-N 2.98Å |
| 1207 | S | 45.5 | Very low | 48.2 | Very low | 48 Ų | 48 | 107.7 Ų | 107.7 | 34% | 0.336 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -26.8 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | S1203 I1204 S1210 K1211 | S1203-S1207 WeakPolarHBondContact O-CB 3.29Å; S1203-S1207 PolarHBondContact O-N 2.91Å; S1203-S1207 PolarHBondContact O-OG 3.16Å; I1204-S1207 WeakPolarHBondContact CA-OG 3.38Å; I1204-S1207 PolarHBondContact O-N 2.7Å; I1204-S1207 PolarHBondContact O-OG 3.28Å; S1207-S1210 PolarHBondContact O-OG 3.39Å; S1207-K1211 PolarHBondContact O-N 2.86Å |
| 1208 | I | 50.5 | Low | 47.1 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 46% | 0.456 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.3 | -44.8 | 172 | -67.6 | 166.4 | 0 | 0 | 0 | 109.7 | I1204 R1205 V1206 K1211 Q1212 | I1204-I1208 HydrophobicContact CG2-CD1 3.7Å; I1204-I1208 HydrophobicContact CG2-CG1 4.44Å; I1204-I1208 WeakPolarHBondContact O-CG1 3.41Å; I1204-I1208 PolarHBondContact O-N 3.3Å; R1205-I1208 PolarHBondContact O-N 2.88Å; V1206-I1208 VanDerWaalsContact C-N 3.32Å; V1206-I1208 PolarHBondContact O-N 3.29Å; I1208-K1211 PolarHBondContact O-N 2.89Å; I1208-Q1212 WeakPolarHBondContact O-CG 3.42Å; I1208-Q1212 PolarHBondContact O-N 3.41Å |
| 1209 | M | 43.9 | Very low | 46.3 | Very low | 100 Ų | 100 | 109.2 Ų | 109.2 | 49% | 0.493 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 179.3 | -69.1 | -169.8 | 81.4 | 0 | 0 | 112.2 | R1205 V1206 K1211 Q1212 Y1213 | R1205-M1209 WeakPolarHBondContact O-CG 3.39Å; R1205-M1209 PolarHBondContact O-N 3.35Å; V1206-M1209 PolarHBondContact O-N 3.35Å; M1209-K1211 PolarHBondContact O-N 3.5Å; M1209-Q1212 PolarHBondContact O-N 3.08Å; M1209-Y1213 WeakPolarHBondContact O-CD2 3.31Å; M1209-Y1213 PolarHBondContact O-N 2.68Å; M1209-Y1213 VanDerWaalsContact O-N 3.11Å |
| 1210 | S | 45.7 | Very low | 45.8 | Very low | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.9 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | V1206 S1207 Q1212 Y1213 D1214 | V1206-S1210 PolarHBondContact O-N 2.98Å; S1207-S1210 PolarHBondContact O-OG 3.39Å; S1210-Q1212 VanDerWaalsContact C-N 3.32Å; S1210-Q1212 PolarHBondContact O-N 3.31Å; S1210-Y1213 PolarHBondContact O-N 2.72Å; S1210-Y1213 VanDerWaalsContact O-N 3.12Å; S1210-D1214 VanDerWaalsContact O-CG 3.25Å; S1210-D1214 PolarHBondContact O-N 2.76Å |
| 1211 | K | 42.8 | Very low | 45.4 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.5 | -37.7 | 175.6 | -81.2 | -167.1 | 169.5 | -163 | 0 | 113.6 | S1207 I1208 M1209 Y1213 D1214 E1215 | S1207-K1211 PolarHBondContact O-N 2.86Å; I1208-K1211 PolarHBondContact O-N 2.89Å; M1209-K1211 PolarHBondContact O-N 3.5Å; K1211-Y1213 VanDerWaalsContact C-N 3.31Å; K1211-Y1213 PolarHBondContact O-N 3.35Å; K1211-D1214 PolarHBondContact O-N 3Å; K1211-E1215 WeakPolarHBondContact O-CB 3.44Å; K1211-E1215 WeakPolarHBondContact O-CG 3.13Å; K1211-E1215 PolarHBondContact O-N 3.26Å |
| 1212 | Q | 44.4 | Very low | 44.6 | Very low | 111 Ų | 111 | 115 Ų | 115 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.3 | -26.9 | 177.1 | -72.3 | -172.4 | -57.2 | 0 | 0 | 113.2 | I1208 M1209 S1210 L1216 | I1208-Q1212 WeakPolarHBondContact O-CG 3.42Å; I1208-Q1212 PolarHBondContact O-N 3.41Å; M1209-Q1212 PolarHBondContact O-N 3.08Å; S1210-Q1212 VanDerWaalsContact C-N 3.32Å; S1210-Q1212 PolarHBondContact O-N 3.31Å; Q1212-L1216 VanDerWaalsContact O-CD1 3.32Å; Q1212-L1216 WeakPolarHBondContact O-CD1 3.36Å; Q1212-L1216 VanDerWaalsContact O-CG 3.3Å; Q1212-L1216 WeakPolarHBondContact O-CG 3.5Å; Q1212-L1216 PolarHBondContact O-N 3.37Å |
| 1213 | Y | 46.5 | Very low | 44 | Very low | 152 Ų | 152 | 118.5 Ų | 118.5 | 60% | 0.596 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.7 | -46.1 | 169.8 | -88.4 | -88.7 | 0 | 0 | 0 | 111.1 | M1209 S1210 K1211 E1215 L1216 D1217 | M1209-Y1213 WeakPolarHBondContact O-CD2 3.31Å; M1209-Y1213 PolarHBondContact O-N 2.68Å; M1209-Y1213 VanDerWaalsContact O-N 3.11Å; S1210-Y1213 PolarHBondContact O-N 2.72Å; S1210-Y1213 VanDerWaalsContact O-N 3.12Å; K1211-Y1213 VanDerWaalsContact C-N 3.31Å; K1211-Y1213 PolarHBondContact O-N 3.35Å; Y1213-E1215 VanDerWaalsContact C-N 3.28Å; Y1213-E1215 PolarHBondContact O-N 2.87Å; Y1213-L1216 PolarHBondContact O-N 3.23Å; Y1213-D1217 PolarHBondContact O-N 3.09Å |
| 1214 | D | 43 | Very low | 43.4 | Very low | 100 Ų | 100 | 124 Ų | 124 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.3 | -39.4 | 176.3 | -60.7 | -31.8 | 0 | 0 | 0 | 111.7 | S1210 K1211 D1218 | S1210-D1214 VanDerWaalsContact O-CG 3.25Å; S1210-D1214 PolarHBondContact O-N 2.76Å; K1211-D1214 PolarHBondContact O-N 3Å; D1214-D1218 PolarHBondContact O-N 2.94Å |
| 1215 | E | 45.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 59% | 0.593 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.9 | -14.6 | 177 | -74.3 | 175 | -173.2 | 0 | 0 | 114.4 | K1211 Y1213 I1219 | K1211-E1215 WeakPolarHBondContact O-CB 3.44Å; K1211-E1215 WeakPolarHBondContact O-CG 3.13Å; K1211-E1215 PolarHBondContact O-N 3.26Å; Y1213-E1215 VanDerWaalsContact C-N 3.28Å; Y1213-E1215 PolarHBondContact O-N 2.87Å; E1215-I1219 VanDerWaalsContact O-CD1 3.29Å; E1215-I1219 WeakPolarHBondContact O-CD1 3.47Å; E1215-I1219 WeakPolarHBondContact O-CG1 3.4Å |
| 1216 | L | 43.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -92.1 | -40.5 | 175.8 | -81.7 | 167.5 | 0 | 0 | 0 | 111.8 | Q1212 Y1213 D1218 I1219 E1220 | Q1212-L1216 VanDerWaalsContact O-CD1 3.32Å; Q1212-L1216 WeakPolarHBondContact O-CD1 3.36Å; Q1212-L1216 VanDerWaalsContact O-CG 3.3Å; Q1212-L1216 WeakPolarHBondContact O-CG 3.5Å; Q1212-L1216 PolarHBondContact O-N 3.37Å; Y1213-L1216 PolarHBondContact O-N 3.23Å; L1216-D1218 PolarHBondContact O-N 3.48Å; L1216-I1219 PolarHBondContact O-N 3Å; L1216-E1220 PolarHBondContact O-N 2.62Å |
| 1217 | D | 41.4 | Very low | 41.7 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.3 | -33.1 | 175.8 | -74.4 | -8.5 | 0 | 0 | 0 | 111.5 | Y1213 I1219 | Y1213-D1217 PolarHBondContact O-N 3.09Å; D1217-I1219 PolarHBondContact O-N 3.27Å |
| 1218 | D | 42.7 | Very low | 41.2 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -9.8 | 175.2 | -91.7 | -10.7 | 0 | 0 | 0 | 114.4 | D1214 L1216 | D1214-D1218 PolarHBondContact O-N 2.94Å; L1216-D1218 PolarHBondContact O-N 3.48Å |
| 1219 | I | 45.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -27.3 | -177.1 | -64.5 | 177 | 0 | 0 | 0 | 112.5 | E1215 L1216 D1217 E1221 | E1215-I1219 VanDerWaalsContact O-CD1 3.29Å; E1215-I1219 WeakPolarHBondContact O-CD1 3.47Å; E1215-I1219 WeakPolarHBondContact O-CG1 3.4Å; L1216-I1219 PolarHBondContact O-N 3Å; D1217-I1219 PolarHBondContact O-N 3.27Å; I1219-E1221 PolarHBondContact O-N 3.36Å |
| 1220 | E | 39.6 | Very low | 40.6 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -7.6 | -177.3 | -68.4 | -160.5 | 150.5 | 0 | 0 | 114.7 | L1216 K1222 | L1216-E1220 PolarHBondContact O-N 2.62Å; E1220-K1222 PolarHBondContact O-N 3.31Å |
| 1221 | E | 41.3 | Very low | 40.1 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 11.9 | -174.2 | -138.9 | -174.8 | -151.9 | 0 | 0 | 115.6 | I1219 | I1219-E1221 PolarHBondContact O-N 3.36Š|
| 1222 | K | 39.7 | Very low | 39.8 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -133.8 | -7.2 | -164.7 | -94.8 | 175 | -172.5 | 149.2 | 0 | 122.4 | E1220 | E1220-K1222 PolarHBondContact O-N 3.31Š|
| 1223 | D | 36.3 | Very low | 39.7 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -141.3 | 90.5 | 176.9 | -92.4 | -51.5 | 0 | 0 | 0 | 114.1 | N1225 | D1223-N1225 PolarHBondContact O-N 3.28Š| ||
| 1224 | E | 32.9 | Very low | 39.5 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -69.2 | 86.2 | 162.4 | -68.4 | -174.4 | 144.8 | 0 | 0 | 110.3 | ||||
| 1225 | N | 37.6 | Very low | 39.3 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -176.9 | 31.7 | 156.6 | -98 | -45.3 | 0 | 0 | 0 | 117.1 | D1223 | D1223-N1225 PolarHBondContact O-N 3.28Š| ||
| 1226 | I | 36.2 | Very low | 39.1 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | trans | -127.6 | 63.9 | 173.2 | -46.6 | -177.8 | 0 | 0 | 0 | 112.2 | D1228 | I1226-D1228 PolarHBondContact O-N 3.05Š| ||
| 1227 | Y | 31.6 | Very low | 39 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | trans | -82.8 | 100.7 | 164.1 | -84.7 | -90 | 0 | 0 | 0 | 110.3 | ||||
| 1228 | D | 36.2 | Very low | 38.9 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -176.5 | -13.5 | 139.9 | -109.9 | -15 | 0 | 0 | 0 | 116.8 | I1226 | I1226-D1228 PolarHBondContact O-N 3.05Š|
| 1229 | Y | 40 | Very low | 38.5 | Very low | 208 Ų | 208 | 144 Ų | 144 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -102.9 | -5.1 | -166.3 | -80.7 | -82.9 | 0 | 0 | 0 | 117.9 | ||
| 1230 | T | 41.1 | Very low | 38 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -107.4 | -6.3 | -172.8 | 42.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1231 | K | 34.9 | Very low | 37.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -54.3 | -36.7 | 177.8 | -83.6 | 178.3 | 176 | 166.6 | 0 | 116.2 | V1233 D1235 | K1231-V1233 VanDerWaalsContact C-N 3.28Å; K1231-V1233 PolarHBondContact O-N 3.18Å; K1231-D1235 PolarHBondContact O-N 3.18Å |
| 1232 | P | 37.8 | Very low | 37 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.6 | -21.1 | -173 | -22.9 | 34.1 | 0 | 0 | 0 | 115.9 | ||
| 1233 | V | 41.8 | Very low | 36.6 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -98.6 | -30.9 | -173.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | K1231 E1236 L1237 | K1231-V1233 VanDerWaalsContact C-N 3.28Å; K1231-V1233 PolarHBondContact O-N 3.18Å; V1233-E1236 PolarHBondContact O-N 3.36Å; V1233-L1237 PolarHBondContact O-N 3.01Å |
| 1234 | L | 41 | Very low | 36.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -73.6 | -36.9 | 176.5 | -145.9 | 72.9 | 0 | 0 | 0 | 111.5 | E1236 L1237 Q1238 | L1234-E1236 VanDerWaalsContact C-N 3.25Å; L1234-E1236 PolarHBondContact O-N 3.28Å; L1234-L1237 PolarHBondContact O-N 3.18Å; L1234-Q1238 WeakPolarHBondContact O-CB 3.38Å; L1234-Q1238 WeakPolarHBondContact O-CG 3.48Å; L1234-Q1238 PolarHBondContact O-N 3.25Å |
| 1235 | D | 40.1 | Very low | 35.7 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 48% | 0.476 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -64 | -26.2 | 173.4 | -83.6 | -29.8 | 0 | 0 | 0 | 112.8 | K1231 N1239 | K1231-D1235 PolarHBondContact O-N 3.18Å; D1235-N1239 VanDerWaalsContact O-CB 3.29Å; D1235-N1239 WeakPolarHBondContact O-CB 3.32Å; D1235-N1239 PolarHBondContact O-N 3.06Å; D1235-N1239 PolarHBondContact O-ND2 3.39Å |
| 1236 | E | 40.1 | Very low | 35.3 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -81.4 | -23.5 | 177.2 | -161.3 | 171.4 | -157.3 | 0 | 0 | 112.8 | V1233 L1234 | V1233-E1236 PolarHBondContact O-N 3.36Å; L1234-E1236 VanDerWaalsContact C-N 3.25Å; L1234-E1236 PolarHBondContact O-N 3.28Å |
| 1237 | L | 40.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -90 | -29.8 | 175 | -69 | 170.7 | 0 | 0 | 0 | 112.9 | V1233 L1234 | V1233-L1237 PolarHBondContact O-N 3.01Å; L1234-L1237 PolarHBondContact O-N 3.18Å |
| 1238 | Q | 39.3 | Very low | 34.6 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83.9 | -14.9 | 177.3 | -70.4 | -178.4 | -18.7 | 0 | 0 | 114 | L1234 | L1234-Q1238 WeakPolarHBondContact O-CB 3.38Å; L1234-Q1238 WeakPolarHBondContact O-CG 3.48Å; L1234-Q1238 PolarHBondContact O-N 3.25Å |
| 1239 | N | 36 | Very low | 34.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 16.7 | 178.3 | -75.5 | -61.4 | 0 | 0 | 0 | 115.2 | D1235 | D1235-N1239 VanDerWaalsContact O-CB 3.29Å; D1235-N1239 WeakPolarHBondContact O-CB 3.32Å; D1235-N1239 PolarHBondContact O-N 3.06Å; D1235-N1239 PolarHBondContact O-ND2 3.39Å |
| 1240 | R | 33.6 | Very low | 33.5 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 75% | 0.751 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -90.2 | 127.8 | 163.4 | -72.5 | -167.7 | 177.8 | -160.8 | 0.3 | 109.7 | I1242 | R1240-I1242 PolarHBondContact O-N 2.96Š|
| 1241 | P | 31.5 | Very low | 32.9 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | trans | -66.7 | 128.7 | -166.2 | 25.2 | -34.3 | 0 | 0 | 0 | 112.4 | D1243 | P1241-D1243 VanDerWaalsContact C-N 3.34Å; P1241-D1243 PolarHBondContact O-N 3.37Å; P1241-D1243 VanDerWaalsContact O-N 3.08Å | ||
| 1242 | I | 28.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | trans | -74.6 | 88.3 | 166.1 | -58.2 | 170.2 | 0 | 0 | 0 | 107.6 | R1240 D1244 | R1240-I1242 PolarHBondContact O-N 2.96Å; I1242-D1244 HydrophobicContact CG2-CB 4.15Å; I1242-D1244 PolarHBondContact O-N 3.28Å; I1242-D1244 VanDerWaalsContact O-N 3.13Å | ||
| 1243 | D | 31.1 | Very low | 32 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -83.9 | 66.4 | 165.6 | -91.6 | -28.4 | 0 | 0 | 0 | 110.5 | P1241 K1245 | P1241-D1243 VanDerWaalsContact C-N 3.34Å; P1241-D1243 PolarHBondContact O-N 3.37Å; P1241-D1243 VanDerWaalsContact O-N 3.08Å; D1243-K1245 PolarHBondContact O-N 3.4Å | ||
| 1244 | D | 26.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | -64.4 | 80.8 | 157.2 | -100.8 | -29.5 | 0 | 0 | 0 | 108.7 | I1242 | I1242-D1244 HydrophobicContact CG2-CB 4.15Å; I1242-D1244 PolarHBondContact O-N 3.28Å; I1242-D1244 VanDerWaalsContact O-N 3.13Å | ||
| 1245 | K | 25.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | 178.7 | 79.4 | 162.8 | -98.5 | 155.9 | -169 | 169.7 | 0 | 113.3 | D1243 I1247 | D1243-K1245 PolarHBondContact O-N 3.4Å; K1245-I1247 HydrophobicContact CB-CD1 3.6Å; K1245-I1247 HydrophobicContact CB-CG1 3.96Å; K1245-I1247 HydrophobicContact CD-CD1 4.47Å; K1245-I1247 HydrophobicContact CG-CD1 3.72Å; K1245-I1247 HydrophobicContact CG-CG1 4.05Å | ||
| 1246 | S | 29.1 | Very low | 30 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -133.5 | 56 | 161.6 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1247 | I | 26.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 62% | 0.621 | 74% | 0.738 | S | S | * | * | 65.1 | 113.4 | 78.7 | -73 | -176.8 | 0 | 0 | 0 | 113.2 | K1245 | K1245-I1247 HydrophobicContact CB-CD1 3.6Å; K1245-I1247 HydrophobicContact CB-CG1 3.96Å; K1245-I1247 HydrophobicContact CD-CD1 4.47Å; K1245-I1247 HydrophobicContact CG-CD1 3.72Å; K1245-I1247 HydrophobicContact CG-CG1 4.05Å | |||
| 1248 | Y | 26.1 | Very low | 28.8 | Very low | 224 Ų | 224 | 140.1 Ų | 140.1 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -49.9 | 144.6 | 153.6 | -85.5 | -105.9 | 0 | 0 | 0 | 111.3 | ||
| 1249 | S | 24.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 87.3 | 148.9 | 158.2 | 83.5 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1250 | I | 27.7 | Very low | 27.9 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.1 | -179.8 | -59.5 | 146.9 | 0 | 0 | 0 | 112.5 | ||
| 1251 | P | 28.3 | Very low | 27.6 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 121.7 | 151.2 | 4.9 | 15.1 | 0 | 0 | 0 | 111.2 | ||
| 1252 | N | 26.1 | Very low | 27.6 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 172.3 | 167.8 | -80.9 | -46.4 | 0 | 0 | 0 | 111.9 | ||
| 1253 | N | 27.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 108 | 131.7 | 171.3 | -58.8 | -19.3 | 0 | 0 | 0 | 112 | ||||
| 1254 | T | 27.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -166 | 160.6 | 0.6 | 11.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1255 | I | 27.7 | Very low | 27.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -154.2 | 150 | 6.7 | -142.9 | 156.6 | 0 | 0 | 0 | 109 | ||||
| 1256 | N | 26.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 56.5 | 144.6 | 161.8 | -60.7 | -11.5 | 0 | 0 | 0 | 119.3 | ||||
| 1257 | S | 28.6 | Very low | 27 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -165.6 | 138.5 | -1.9 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1258 | L | 26.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 58.6 | 107.2 | 139.5 | -66.6 | 158.2 | 0 | 0 | 0 | 120.8 | ||||
| 1259 | T | 27.3 | Very low | 27.6 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | 85.6 | 130.7 | 122.6 | 57.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1260 | N | 29.2 | Very low | 27.6 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 83.5 | 96.9 | 136.5 | -70.2 | -19.7 | 0 | 0 | 0 | 122.2 | ||||
| 1261 | R | 26.2 | Very low | 27.6 | Very low | 237 Ų | 237 | 141.2 Ų | 141.2 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 78.2 | 158.6 | 124.8 | -80.6 | -167 | 173.8 | -170.8 | -0.6 | 118.7 | |||||
| 1262 | P | 33.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -116.7 | 147.1 | -137.5 | 39.8 | -31.4 | 0 | 0 | 0 | 115.4 | ||||
| 1263 | S | 25 | Very low | 27.8 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -170.4 | 132.8 | 152.3 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1264 | M | 25.8 | Very low | 27.9 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | trans | 62.3 | 150.8 | 153 | -72 | -168.9 | 169 | 0 | 0 | 121.9 | ||||
| 1265 | T | 24.9 | Very low | 27.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | 67.7 | 116.7 | 156.8 | 41.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1266 | Y | 25.3 | Very low | 27.7 | Very low | 238 Ų | 238 | 142 Ų | 142 | 93% | 0.933 | 75% | 0.75 | S | S | * | * | trans | 26.7 | 110.6 | 142.8 | -77.7 | -88.4 | 0 | 0 | 0 | 119.3 | ||||
| 1267 | G | 26 | Very low | 27.6 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -171 | 114.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1268 | Q | 36.1 | Very low | 27.5 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -65 | 151.9 | 164.8 | -68.1 | 176.6 | -49.6 | 0 | 0 | 110.2 | ||||
| 1269 | P | 28.5 | Very low | 27.4 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | -119 | 143.1 | 120.5 | -4.4 | 25.3 | 0 | 0 | 0 | 110.5 | |||||
| 1270 | N | 26.2 | Very low | 27.3 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | 57.7 | 141.2 | 74.6 | -63.5 | -52.8 | 0 | 0 | 0 | 113 | |||||
| 1271 | K | 27.5 | Very low | 27.1 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | cis | -158 | 159.3 | -6.4 | -102.4 | 161.2 | -176.6 | -179.5 | 0 | 104.6 | ||||
| 1272 | I | 30 | Very low | 27 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | -177.2 | 126.8 | 78.6 | -71 | 154.1 | 0 | 0 | 0 | 102.2 | |||||
| 1273 | L | 28.6 | Very low | 26.6 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | cis | 71.5 | 76 | 16.5 | -137.5 | 173.4 | 0 | 0 | 0 | 115.5 | T1275 | L1273-T1275 HydrophobicContact CD2-CG2 4.19Š| ||
| 1274 | N | 28.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -124.8 | 115.8 | 142.2 | -84.2 | -15.3 | 0 | 0 | 0 | 105.6 | ||||
| 1275 | T | 25.3 | Very low | 26.8 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 45% | 0.454 | 73% | 0.73 | S | S | . | * | 64.2 | 135.5 | 75.9 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | L1273 | L1273-T1275 HydrophobicContact CD2-CG2 4.19Š| |||
| 1276 | Y | 27.3 | Very low | 26.9 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | cis | -147 | 138 | 31.6 | -82.6 | -76.1 | 0 | 0 | 0 | 109.5 | ||||
| 1277 | D | 24.7 | Very low | 26.9 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | 61.9 | 145 | 90.7 | -72.1 | -13.6 | 0 | 0 | 0 | 114.6 | |||||
| 1278 | V | 25.5 | Very low | 26.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | cis | 179.8 | -178.7 | -9.9 | 133.6 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 1279 | L | 25.7 | Very low | 26.4 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | 80.7 | 113.1 | -175.8 | -48.8 | 170.8 | 0 | 0 | 0 | 112.9 | ||||
| 1280 | S | 24.8 | Very low | 26.2 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | cis | 69.1 | 123.6 | 20 | 96.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1281 | S | 23.5 | Very low | 26.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | 67.1 | 144.1 | -172.4 | 99.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1282 | D | 25.5 | Very low | 26.1 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | cis | -134.1 | 147.5 | 24.9 | -78.3 | -47.2 | 0 | 0 | 0 | 115.8 | ||||
| 1283 | T | 24.6 | Very low | 26 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -12.8 | 129.8 | 143.1 | 56.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1284 | N | 27.6 | Very low | 25.9 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | -176.2 | 104.4 | 106.2 | -89.6 | -28.8 | 0 | 0 | 0 | 112.5 | |||||
| 1285 | T | 28 | Very low | 25.9 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -58.2 | 130.2 | 142.2 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1286 | F | 25.4 | Very low | 26 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | -168.8 | 111.4 | 141.7 | -94.7 | -68.6 | 0 | 0 | 0 | 105.4 | ||||
| 1287 | T | 25.8 | Very low | 26.1 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | 61.9 | 151.6 | 101.9 | 71.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1288 | T | 25.1 | Very low | 26.3 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | cis | -162.1 | 153.8 | 20.2 | -15.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1289 | N | 25.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 5.7 | 124.4 | 141.8 | -53.3 | -17.2 | 0 | 0 | 0 | 119.9 | ||||
| 1290 | S | 25.8 | Very low | 26.4 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | -169.9 | 108.1 | 124 | 42.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1291 | T | 25.7 | Very low | 26.8 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | 65.5 | 132.7 | 75.1 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1292 | N | 25.9 | Very low | 27.1 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 82.6 | 140 | 156.9 | -57 | -15.2 | 0 | 0 | 0 | 116.3 | ||||
| 1293 | I | 26.7 | Very low | 27.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 65% | 0.651 | 74% | 0.744 | S | S | * | * | cis | 166.8 | 153.2 | -14.7 | -109.9 | 164.7 | 0 | 0 | 0 | 102.9 | ||||
| 1294 | N | 26.6 | Very low | 28 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 69.5 | 148.2 | 176.5 | -58.9 | -26 | 0 | 0 | 0 | 115.1 | ||||
| 1295 | T | 28.5 | Very low | 28 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -150.3 | 134.4 | 0.3 | -6.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1296 | A | 27.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 3.3 | 130.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1297 | A | 29.9 | Very low | 28.1 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | trans | -171 | 100.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1298 | I | 28.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | 86.9 | 89.5 | 81.7 | -70.7 | 166.5 | 0 | 0 | 0 | 114.3 | |||||
| 1299 | T | 26.6 | Very low | 28.2 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 64.9 | 115.8 | 123.5 | -36.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1300 | K | 27.5 | Very low | 28.5 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | -177.8 | 142.9 | 115.8 | -100.1 | 160.8 | -174.3 | 174.3 | 0 | 116.4 | |||||
| 1301 | M | 33.2 | Very low | 28.5 | Very low | 169 Ų | 169 | 141 Ų | 141 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | 82.1 | 86.2 | 154.6 | -67 | 177.2 | 177.8 | 0 | 0 | 122.2 | ||||
| 1302 | N | 30 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | 19.6 | 138.6 | 121.2 | -54.6 | -13.2 | 0 | 0 | 0 | 118.5 | |||||
| 1303 | N | 33.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | -171.1 | 178.9 | 54.2 | -129.8 | -4 | 0 | 0 | 0 | 111.1 | |||||
| 1304 | P | 34.2 | Very low | 28.5 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | -135.8 | 163.7 | -113.3 | 42.3 | -24.2 | 0 | 0 | 0 | 119.4 | |||||
| 1305 | R | 28.3 | Very low | 28.6 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | 55.2 | 122.7 | 144.8 | -68.2 | 168.1 | -176.7 | -174.3 | 0.8 | 120.4 | ||||
| 1306 | R | 30.1 | Very low | 28.5 | Very low | 245 Ų | 245 | 143.5 Ų | 143.5 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | -164.9 | 146.2 | 99.3 | -105.3 | 176.2 | -177.4 | -174.4 | 1.3 | 114.2 | |||||
| 1307 | H | 25.7 | Very low | 28.4 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | -57.3 | 147.7 | -172.8 | -57.8 | -101 | 0 | 0 | 0 | 116.7 | ||||
| 1308 | S | 28.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | -146.4 | 140.7 | 117.8 | 60.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1309 | L | 24.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | trans | -99.4 | 135 | 177.1 | -72.8 | 103.8 | 0 | 0 | 0 | 110.3 | ||||
| 1310 | T | 31.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -176.3 | 78.6 | 157.4 | 23.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1311 | N | 26 | Very low | 28.5 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 47.4 | 106.8 | 66.6 | -84.5 | 8.8 | 0 | 0 | 0 | 114 | |||||
| 1312 | L | 24.7 | Very low | 28.1 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 36.8 | 100.8 | 147.2 | -67.7 | 119.6 | 0 | 0 | 0 | 118 | ||||
| 1313 | I | 28.5 | Very low | 28.2 | Very low | 155 Ų | 155 | 144 Ų | 144 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -125.7 | 87.1 | 145.3 | -55.9 | -178.9 | 0 | 0 | 0 | 107.8 | ||||
| 1314 | T | 25.4 | Very low | 27.8 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 129.5 | 155.9 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1315 | M | 27.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59 | 135.4 | 161.9 | -71.2 | -167.1 | -177.5 | 0 | 0 | 108.2 | N1317 | M1315-N1317 PolarHBondContact O-N 3.47Š|
| 1316 | P | 27 | Very low | 27.8 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.2 | 163.3 | 29 | -32.4 | 0 | 0 | 0 | 107.7 | ||
| 1317 | N | 25.1 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52 | 131.3 | 175.2 | -71.9 | -33.2 | 0 | 0 | 0 | 109.5 | M1315 I1319 | M1315-N1317 PolarHBondContact O-N 3.47Å; N1317-I1319 PolarHBondContact O-N 2.92Å |
| 1318 | P | 32.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128.8 | 163.9 | 27.3 | -32.2 | 0 | 0 | 0 | 107.2 | Q1320 | P1318-Q1320 PolarHBondContact O-N 3.33Š|
| 1319 | I | 27.9 | Very low | 27.9 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 115.7 | -178.2 | -63.4 | 171.3 | 0 | 0 | 0 | 108 | N1317 I1321 | N1317-I1319 PolarHBondContact O-N 2.92Å; I1319-I1321 VanDerWaalsContact C-N 3.29Å; I1319-I1321 HydrophobicContact CG2-CG1 3.99Å; I1319-I1321 PolarHBondContact O-N 3.04Å | ||
| 1320 | Q | 24.6 | Very low | 28 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 89.6 | 171.6 | -78.3 | -174.5 | -38.4 | 0 | 0 | 109 | P1318 N1322 | P1318-Q1320 PolarHBondContact O-N 3.33Å; Q1320-N1322 PolarHBondContact O-N 3.31Å; Q1320-N1322 VanDerWaalsContact O-N 3.16Å | ||
| 1321 | I | 30 | Very low | 27.9 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -77.6 | 97 | 165.1 | -58.1 | -178.3 | 0 | 0 | 0 | 107.1 | I1319 S1323 | I1319-I1321 VanDerWaalsContact C-N 3.29Å; I1319-I1321 HydrophobicContact CG2-CG1 3.99Å; I1319-I1321 PolarHBondContact O-N 3.04Å; I1321-S1323 PolarHBondContact O-N 2.91Å | ||
| 1322 | N | 25.3 | Very low | 28 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -59.6 | 102.2 | 165 | -82.7 | -20.4 | 0 | 0 | 0 | 108.9 | Q1320 | Q1320-N1322 PolarHBondContact O-N 3.31Å; Q1320-N1322 VanDerWaalsContact O-N 3.16Å | ||
| 1323 | S | 31.1 | Very low | 28.1 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -130 | 83 | 167.1 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | I1321 | I1321-S1323 PolarHBondContact O-N 2.91Š| ||
| 1324 | S | 26.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -56 | 148.7 | 152.3 | 39.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1325 | A | 29.5 | Very low | 28.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 67.2 | 81.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1326 | L | 31.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -157.7 | 103.2 | 142.4 | -109.8 | 155.9 | 0 | 0 | 0 | 110.6 | V1328 | L1326-V1328 PolarHBondContact O-N 3.17Š| ||
| 1327 | S | 26.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -80.7 | 105.1 | 176 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1328 | V | 31.6 | Very low | 28.8 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 133.5 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L1326 | L1326-V1328 PolarHBondContact O-N 3.17Š|
| 1329 | P | 29.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 142.9 | -173.4 | 27.3 | -35 | 0 | 0 | 0 | 113 | L1331 | P1329-L1331 PolarHBondContact O-N 2.96Š|
| 1330 | R | 26.5 | Very low | 28.7 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.3 | 173.7 | -62.7 | 178.8 | -175.7 | 174.9 | 1.3 | 110.5 | ||
| 1331 | L | 28 | Very low | 29 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -136.6 | 144.5 | 161.8 | -79.7 | 169.7 | 0 | 0 | 0 | 108.3 | P1329 | P1329-L1331 PolarHBondContact O-N 2.96Š| ||
| 1332 | Y | 29.5 | Very low | 29 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 66% | 0.659 | 76% | 0.759 | S | S | * | * | trans | 80.7 | 52.4 | -170.3 | -59.8 | -85.3 | 0 | 0 | 0 | 117 | R1035 | R1035-Y1332 PolarHBondContact NH1-OH 2.91Å; R1035-Y1332 PolarHBondContact NH2-OH 3.35Å | ||
| 1333 | E | 26.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | -81.9 | 136.8 | 124.8 | -77.5 | 171.7 | 160.9 | 0 | 0 | 108 | |||||
| 1334 | N | 29.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -159.2 | 56.4 | 165.5 | -109.5 | -3.8 | 0 | 0 | 0 | 109.3 | ||||
| 1335 | N | 27.6 | Very low | 29.2 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -88.5 | 108.7 | 142.5 | -82.1 | -2.9 | 0 | 0 | 0 | 105.3 | ||||
| 1336 | V | 30.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | trans | -130.3 | 96.3 | 163.7 | 178.7 | 0 | 0 | 0 | 0 | 106.2 | T1338 | V1336-T1338 HydrophobicContact CG1-CG2 3.99Å; V1336-T1338 PolarHBondContact O-N 2.83Å | ||
| 1337 | D | 27.2 | Very low | 29 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -67.1 | 121.5 | 156 | -64.5 | -64.5 | 0 | 0 | 0 | 107.6 | ||||
| 1338 | T | 31.9 | Very low | 29.1 | Very low | 124 Ų | 124 | 154.3 Ų | 154.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -139.9 | 109.9 | 159 | 38.9 | 0 | 0 | 0 | 0 | 108.5 | V1336 | V1336-T1338 HydrophobicContact CG1-CG2 3.99Å; V1336-T1338 PolarHBondContact O-N 2.83Å | ||
| 1339 | L | 27.4 | Very low | 29 | Very low | 143 Ų | 143 | 156 Ų | 156 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 171.7 | 156.4 | -73.3 | 104.5 | 0 | 0 | 0 | 110.6 | ||||
| 1340 | N | 31.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | trans | 101.5 | 107.5 | 160.1 | -64.6 | 15.1 | 0 | 0 | 0 | 117.7 | ||||
| 1341 | D | 31.1 | Very low | 29.1 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | 78.1 | 114.3 | 117.1 | -52.2 | -15.7 | 0 | 0 | 0 | 120.8 | |||||
| 1342 | D | 29.1 | Very low | 29.1 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | 62.6 | 112 | 122.9 | -73.2 | 7.1 | 0 | 0 | 0 | 122.3 | |||||
| 1343 | N | 29.2 | Very low | 29.1 | Very low | 136 Ų | 136 | 153.8 Ų | 153.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 161.2 | 133.5 | -64.1 | -49.4 | 0 | 0 | 0 | 118.7 | ||||
| 1344 | L | 30.9 | Very low | 29.3 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 65.5 | 96.6 | 179.2 | -57.7 | 155.7 | 0 | 0 | 0 | 113 | ||||
| 1345 | L | 27.5 | Very low | 29.2 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | cis | 49.2 | 75 | 44.9 | -115 | 178.1 | 0 | 0 | 0 | 111.6 | ||||
| 1346 | T | 28.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 162 | 105 | 130.8 | 38.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1347 | R | 27.8 | Very low | 29.3 | Very low | 234 Ų | 234 | 158.4 Ų | 158.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | 159.8 | 121.4 | 127.9 | -88.3 | 170.6 | 179.5 | -167.6 | -0.6 | 111.2 | |||||
| 1348 | F | 29 | Very low | 29.4 | Very low | 288 Ų | 288 | 159 Ų | 159 | 100% | 1.263 | 81% | 0.805 | S | S | * | * | trans | 71.9 | 0 | -173.5 | -65.3 | -77.2 | 0 | 0 | 0 | 116.1 |
Retrieved 1,348 of 1,348 residues in 1756.2 ms
(Link to these results)