| 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 | 76.4 | Confident | 88.6 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | 0 | 164.3 | 0 | -65.1 | -161.7 | -167.6 | 0 | 0 | 111.2 | A3 E4 R5 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.15Å; M1-R5 PolarHBondContact O-N 2.8Å | |||
| 2 | M | 85.8 | Confident | 89 | Confident | 89 Ų | 89 | 95.9 Ų | 95.9 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.3 | -44.6 | -178.5 | -70.4 | 173.9 | -179.4 | 0 | 0 | 113.4 | E4 R5 L6 C22 F25 V35 | M2-E4 VanDerWaalsContact C-N 3.33Å; M2-E4 PolarHBondContact O-N 3.06Å; M2-R5 PolarHBondContact O-N 3.14Å; M2-L6 PolarHBondContact O-N 3.31Å; M2-C22 WeakPolarHBondContact CE-SG 3.33Å; M2-F25 HydrophobicContact CB-CZ 4.08Å; M2-F25 HydrophobicContact CG-CE2 4.15Å; M2-F25 HydrophobicContact CG-CZ 4.13Å; M2-V35 HydrophobicContact CE-CG2 4.11Å; M2-V35 HydrophobicContact CG-CG2 3.83Å |
| 3 | A | 88.8 | Confident | 89.5 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 R5 L6 L7 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.24Å; A3-L6 PolarHBondContact O-N 3.44Å; A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.2Å; A3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | E | 87.7 | Confident | 89.8 | Confident | 112 Ų | 112 | 92.5 Ų | 92.5 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 178.4 | -65.2 | 164.3 | 177.6 | 0 | 0 | 111.7 | M1 M2 L6 L7 L8 | M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.15Å; M2-E4 VanDerWaalsContact C-N 3.33Å; M2-E4 PolarHBondContact O-N 3.06Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.02Å; E4-L7 PolarHBondContact O-N 3.03Å; E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.24Å |
| 5 | R | 86.4 | Confident | 90.1 | Very high | 48 Ų | 48 | 90.9 Ų | 90.9 | 18% | 0.181 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.3 | -65.1 | -82.5 | 178.7 | -150.5 | -12.4 | 111.3 | M1 M2 A3 L7 L8 G9 H10 F25 V35 D38 | M1-R5 PolarHBondContact O-N 2.8Å; M2-R5 PolarHBondContact O-N 3.14Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.24Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.28Å; R5-L8 CarbonylContact O-C 3.54Å; R5-L8 PolarHBondContact O-N 3.4Å; R5-L8 VanDerWaalsContact O-N 3.17Å; R5-G9 PolarHBondContact O-N 3.4Å; R5-H10 HydrophobicContact CB-CB 4Å; R5-H10 VanDerWaalsContact O-CB 3.24Å; R5-H10 WeakPolarHBondContact O-CB 3.27Å; R5-H10 PolarHBondContact O-N 3.09Å; R5-H10 PolarHBondContact O-ND1 2.92Å; R5-H10 VanDerWaalsContact O-ND1 3.14Å; R5-F25 HydrophobicContact CB-CD1 4.02Å; R5-F25 HydrophobicContact CB-CE1 4.23Å; R5-V35 HydrophobicContact CG-CG1 3.74Å; R5-D38 IonicContact CZ-OD2 2.58Å; R5-D38 VanDerWaalsContact CZ-OD2 3.26Å; R5-D38 IonicContact NH1-OD2 3.91Å; R5-D38 IonicContact NH2-OD2 3.68Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å |
| 6 | L | 90.4 | Very high | 90.4 | Very high | 90 Ų | 90 | 89.4 Ų | 89.4 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.5 | -65.2 | 174.6 | 0 | 0 | 0 | 111.7 | M2 A3 E4 L8 G9 F25 | M2-L6 PolarHBondContact O-N 3.31Å; A3-L6 PolarHBondContact O-N 3.44Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.02Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.31Å; L6-G9 PolarHBondContact O-N 3Å; L6-G9 VanDerWaalsContact O-N 3.08Å; L6-F25 HydrophobicContact CD2-CD1 4.44Å; L6-F25 HydrophobicContact CD2-CE1 3.77Å; L6-F25 HydrophobicContact CG-CE1 4.01Å |
| 7 | L | 91.5 | Very high | 90.6 | Very high | 153 Ų | 153 | 85.1 Ų | 85.1 | 80% | 0.801 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.9 | -29.5 | 175.6 | -66.7 | 173.4 | 0 | 0 | 0 | 112.7 | A3 E4 R5 G9 | A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.2Å; A3-L7 VanDerWaalsContact O-N 3.11Å; E4-L7 PolarHBondContact O-N 3.03Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.28Å; L7-G9 PolarHBondContact O-N 2.72Å |
| 8 | L | 90 | Very high | 90.8 | Very high | 112 Ų | 112 | 89.7 Ų | 89.7 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.7 | 173.4 | -68.9 | 169.8 | 0 | 0 | 0 | 113.5 | E4 R5 L6 | E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.24Å; R5-L8 CarbonylContact O-C 3.54Å; R5-L8 PolarHBondContact O-N 3.4Å; R5-L8 VanDerWaalsContact O-N 3.17Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.31Å |
| 9 | G | 91.1 | Very high | 90.9 | Very high | 52 Ų | 52 | 94.6 Ų | 94.6 | 54% | 0.536 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 14.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R5 L6 L7 | R5-G9 PolarHBondContact O-N 3.4Å; L6-G9 PolarHBondContact O-N 3Å; L6-G9 VanDerWaalsContact O-N 3.08Å; L7-G9 PolarHBondContact O-N 2.72Å |
| 10 | H | 92.7 | Very high | 91 | Very high | 20 Ų | 20 | 92.4 Ų | 92.4 | 9% | 0.093 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 145.2 | 172.7 | -60.8 | 50.6 | 0 | 0 | 0 | 110.1 | R5 F25 E26 | R5-H10 HydrophobicContact CB-CB 4Å; R5-H10 VanDerWaalsContact O-CB 3.24Å; R5-H10 WeakPolarHBondContact O-CB 3.27Å; R5-H10 PolarHBondContact O-N 3.09Å; R5-H10 PolarHBondContact O-ND1 2.92Å; R5-H10 VanDerWaalsContact O-ND1 3.14Å; H10-F25 HydrophobicContact CB-CB 4.22Å; H10-F25 HydrophobicContact CB-CD1 4.04Å; H10-E26 CarbonylContact C-O 3.52Å; H10-E26 WeakPolarHBondContact CA-O 3.45Å; H10-E26 WeakPolarHBondContact CB-O 3.24Å |
| 11 | R | 93.9 | Very high | 91 | Very high | 168 Ų | 168 | 92.5 Ų | 92.5 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.6 | 177.9 | -177.1 | -177.3 | 177.9 | -157.1 | 1.4 | 110.3 | L13 F25 E26 | R11-L13 PolarHBondContact O-N 2.89Å; R11-F25 CarbonylContact O-C 3.46Å; R11-F25 VanDerWaalsContact O-CA 3.28Å; R11-F25 WeakPolarHBondContact O-CA 3.4Å; R11-E26 HydrophobicContact CB-CB 4.38Å; R11-E26 PolarHBondContact N-O 3.48Å; R11-E26 IonicContact NH1-OE2 3.91Å; R11-E26 PolarHBondContact O-N 3.09Å |
| 12 | M | 93.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 86.5 Ų | 86.5 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.1 | 173.5 | -172.7 | -179.3 | -71.3 | 0 | 0 | 110.3 | V23 F25 | M12-V23 HydrophobicContact CG-CG1 3.45Å; M12-V23 VanDerWaalsContact CG-CG1 3.45Å; M12-V23 HydrophobicContact SD-CG1 4.09Å; M12-F25 HydrophobicContact CB-CD1 4.38Å; M12-F25 HydrophobicContact CB-CE1 4.06Å; M12-F25 HydrophobicContact CB-CZ 4.38Å; M12-F25 HydrophobicContact CE-CE1 4.15Å; M12-F25 HydrophobicContact CE-CE2 4.44Å; M12-F25 HydrophobicContact CE-CZ 3.63Å; M12-F25 HydrophobicContact CG-CE1 4.47Å; M12-F25 HydrophobicContact CG-CZ 4.3Å |
| 13 | L | 94.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 84.5 Ų | 84.5 | 16% | 0.162 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 160.7 | 177.5 | -61.3 | 177.6 | 0 | 0 | 0 | 111.1 | R11 T15 V23 L24 E26 E32 | R11-L13 PolarHBondContact O-N 2.89Å; L13-T15 PolarHBondContact O-N 3.29Å; L13-V23 VanDerWaalsContact O-CG1 3.23Å; L13-V23 WeakPolarHBondContact O-CG1 3.49Å; L13-L24 HydrophobicContact CB-CB 4.29Å; L13-L24 WeakPolarHBondContact CB-O 3.23Å; L13-L24 HydrophobicContact CD1-CB 4.03Å; L13-L24 PolarHBondContact N-O 3.37Å; L13-E26 HydrophobicContact CD1-CB 4.24Å; L13-E26 HydrophobicContact CD2-CB 3.98Å; L13-E26 HydrophobicContact CG-CB 4.19Å; L13-E32 HydrophobicContact CD1-CB 4.46Å; L13-E32 HydrophobicContact CD1-CG 3.8Å |
| 14 | A | 93.9 | Very high | 92.4 | Very high | 113 Ų | 113 | 82.4 Ų | 82.4 | 93% | 0.934 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 16.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 15 | T | 95 | Very high | 92.7 | Very high | 69 Ų | 69 | 77.1 Ų | 77.1 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.8 | -179.5 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | L13 L24 | L13-T15 PolarHBondContact O-N 3.29Å; T15-L24 PolarHBondContact O-N 2.99Å |
| 16 | C | 94.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 77.7 Ų | 77.7 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 151.1 | 178 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | D18 C22 | C16-D18 PolarHBondContact O-N 2.76Å; C16-C22 CarbonylContact C-O 3.52Å; C16-C22 WeakPolarHBondContact CA-O 3.38Å |
| 17 | C | 94.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 74.7 Ų | 74.7 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | trans | -67.9 | 127 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | K19 C20 S21 C22 L24 C34 | C17-K19 PolarHBondContact O-N 3Å; C17-K19 VanDerWaalsContact O-N 3.09Å; C17-C20 PolarHBondContact O-N 3.08Å; C17-S21 VanDerWaalsContact O-CA 3.24Å; C17-S21 WeakPolarHBondContact O-CA 3.4Å; C17-S21 PolarHBondContact O-N 3.27Å; C17-C22 PolarHBondContact N-O 3.42Å; C17-L24 HydrophobicContact CB-CD2 3.79Å; C17-L24 HydrophobicContact CB-CG 4.33Å; C17-C34 HydrophobicContact CB-CB 3.91Å; C17-C34 WeakPolarHBondContact CB-SG 3.45Å; C17-C34 VanDerWaalsContact SG-SG 3.68Å | ||
| 18 | D | 93.5 | Very high | 93.2 | Very high | 168 Ų | 168 | 71.7 Ų | 71.7 | 90% | 0.898 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.4 | -179.5 | -60.8 | -39.5 | 0 | 0 | 0 | 114.2 | C16 | C16-D18 PolarHBondContact O-N 2.76Š|
| 19 | K | 92.7 | Very high | 93.3 | Very high | 182 Ų | 182 | 73.3 Ų | 73.3 | 79% | 0.791 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -37.8 | -177.2 | -63.6 | -177.7 | -179.2 | 178.3 | 0 | 113.8 | C17 | C17-K19 PolarHBondContact O-N 3Å; C17-K19 VanDerWaalsContact O-N 3.09Å |
| 20 | C | 93 | Very high | 93.3 | Very high | 50 Ų | 50 | 72.8 Ų | 72.8 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 1 | -170.4 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | C17 C22 C34 R36 | C17-C20 PolarHBondContact O-N 3.08Å; C20-C22 PolarHBondContact O-N 3.04Å; C20-C22 WeakPolarHBondContact SG-CB 3.44Å; C20-C34 PolarHBondContact SG-SG 3.05Å; C20-R36 HydrophobicContact CB-CG 4.27Å |
| 21 | S | 91.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 78.6 Ų | 78.6 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | trans | 56.4 | 19.5 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 114.7 | C17 | C17-S21 VanDerWaalsContact O-CA 3.24Å; C17-S21 WeakPolarHBondContact O-CA 3.4Å; C17-S21 PolarHBondContact O-N 3.27Å | ||
| 22 | C | 91.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 76.2 Ų | 76.2 | 14% | 0.135 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -82 | 145.6 | 175.2 | -164.3 | 0 | 0 | 0 | 0 | 110.4 | M2 C16 C17 C20 L24 R36 | M2-C22 WeakPolarHBondContact CE-SG 3.33Å; C16-C22 CarbonylContact C-O 3.52Å; C16-C22 WeakPolarHBondContact CA-O 3.38Å; C17-C22 PolarHBondContact N-O 3.42Å; C20-C22 PolarHBondContact O-N 3.04Å; C20-C22 WeakPolarHBondContact SG-CB 3.44Å; C22-L24 PolarHBondContact O-N 2.8Å; C22-R36 HydrophobicContact CB-CB 3.96Å |
| 23 | V | 93.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 72.4 Ų | 72.4 | 29% | 0.285 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132.6 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | M12 L13 | M12-V23 HydrophobicContact CG-CG1 3.45Å; M12-V23 VanDerWaalsContact CG-CG1 3.45Å; M12-V23 HydrophobicContact SD-CG1 4.09Å; L13-V23 VanDerWaalsContact O-CG1 3.23Å; L13-V23 WeakPolarHBondContact O-CG1 3.49Å |
| 24 | L | 95 | Very high | 93.1 | Very high | 20 Ų | 20 | 71.4 Ų | 71.4 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 152.6 | 176.9 | -69.2 | 172.8 | 0 | 0 | 0 | 111.5 | L13 T15 C17 C22 C34 | L13-L24 HydrophobicContact CB-CB 4.29Å; L13-L24 WeakPolarHBondContact CB-O 3.23Å; L13-L24 HydrophobicContact CD1-CB 4.03Å; L13-L24 PolarHBondContact N-O 3.37Å; T15-L24 PolarHBondContact O-N 2.99Å; C17-L24 HydrophobicContact CB-CD2 3.79Å; C17-L24 HydrophobicContact CB-CG 4.33Å; C22-L24 PolarHBondContact O-N 2.8Å; L24-C34 HydrophobicContact CD2-CB 3.68Å |
| 25 | F | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140 | 175.3 | -75.8 | -106.9 | 0 | 0 | 0 | 109.5 | M2 R5 L6 H10 R11 M12 E32 V33 V35 | M2-F25 HydrophobicContact CB-CZ 4.08Å; M2-F25 HydrophobicContact CG-CE2 4.15Å; M2-F25 HydrophobicContact CG-CZ 4.13Å; R5-F25 HydrophobicContact CB-CD1 4.02Å; R5-F25 HydrophobicContact CB-CE1 4.23Å; L6-F25 HydrophobicContact CD2-CD1 4.44Å; L6-F25 HydrophobicContact CD2-CE1 3.77Å; L6-F25 HydrophobicContact CG-CE1 4.01Å; H10-F25 HydrophobicContact CB-CB 4.22Å; H10-F25 HydrophobicContact CB-CD1 4.04Å; R11-F25 CarbonylContact O-C 3.46Å; R11-F25 VanDerWaalsContact O-CA 3.28Å; R11-F25 WeakPolarHBondContact O-CA 3.4Å; M12-F25 HydrophobicContact CB-CD1 4.38Å; M12-F25 HydrophobicContact CB-CE1 4.06Å; M12-F25 HydrophobicContact CB-CZ 4.38Å; M12-F25 HydrophobicContact CE-CE1 4.15Å; M12-F25 HydrophobicContact CE-CE2 4.44Å; M12-F25 HydrophobicContact CE-CZ 3.63Å; M12-F25 HydrophobicContact CG-CE1 4.47Å; M12-F25 HydrophobicContact CG-CZ 4.3Å; F25-E32 CarbonylContact O-C 3.49Å; F25-E32 WeakPolarHBondContact O-CA 3.41Å; F25-V33 PolarHBondContact N-O 3.32Å; F25-V33 PolarHBondContact O-N 2.79Å; F25-V35 HydrophobicContact CD2-CG1 3.51Å; F25-V35 HydrophobicContact CE2-CG1 3.75Å; F25-V35 HydrophobicContact CE2-CG2 4.37Å; F25-V35 HydrophobicContact CG-CG1 4.15Å |
| 26 | E | 94.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.9 | 169.9 | -174.9 | 179.9 | -161.3 | 0 | 0 | 108.5 | H10 R11 L13 G30 K31 | H10-E26 CarbonylContact C-O 3.52Å; H10-E26 WeakPolarHBondContact CA-O 3.45Å; H10-E26 WeakPolarHBondContact CB-O 3.24Å; R11-E26 HydrophobicContact CB-CB 4.38Å; R11-E26 PolarHBondContact N-O 3.48Å; R11-E26 IonicContact NH1-OE2 3.91Å; R11-E26 PolarHBondContact O-N 3.09Å; L13-E26 HydrophobicContact CD1-CB 4.24Å; L13-E26 HydrophobicContact CD2-CB 3.98Å; L13-E26 HydrophobicContact CG-CB 4.19Å; E26-G30 WeakPolarHBondContact OE1-CA 3.4Å; E26-K31 WeakPolarHBondContact CA-O 3.46Å |
| 27 | D | 92.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | trans | -72.5 | 170.3 | 174 | 84.4 | -8.2 | 0 | 0 | 0 | 111.4 | N29 G30 K31 V33 | D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact OD1-C 3.26Å; D27-N29 VanDerWaalsContact OD1-CA 3.24Å; D27-N29 WeakPolarHBondContact OD1-CA 3.46Å; D27-N29 VanDerWaalsContact OD1-CB 3.32Å; D27-N29 WeakPolarHBondContact OD1-CB 3.42Å; D27-N29 PolarHBondContact OD1-N 3.14Å; D27-N29 PolarHBondContact OD2-ND2 3.01Å; D27-N29 VanDerWaalsContact OD2-ND2 3.16Å; D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.42Å; D27-K31 PolarHBondContact N-O 2.91Å; D27-K31 WeakPolarHBondContact OD1-CB 3.08Å; D27-K31 PolarHBondContact OD1-N 3.47Å; D27-V33 HydrophobicContact CB-CG2 4.44Å | ||
| 28 | P | 91.1 | Very high | 91.9 | Very high | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.3 | 177 | -25.7 | 36 | 0 | 0 | 0 | 115.2 | ||
| 29 | N | 92.3 | Very high | 91.1 | Very high | 145 Ų | 145 | 66.2 Ų | 66.2 | 78% | 0.775 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.2 | 177.5 | -49.8 | -62 | 0 | 0 | 0 | 112.7 | D27 | D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact OD1-C 3.26Å; D27-N29 VanDerWaalsContact OD1-CA 3.24Å; D27-N29 WeakPolarHBondContact OD1-CA 3.46Å; D27-N29 VanDerWaalsContact OD1-CB 3.32Å; D27-N29 WeakPolarHBondContact OD1-CB 3.42Å; D27-N29 PolarHBondContact OD1-N 3.14Å; D27-N29 PolarHBondContact OD2-ND2 3.01Å; D27-N29 VanDerWaalsContact OD2-ND2 3.16Å |
| 30 | G | 90.9 | Very high | 90.2 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 84.7 | 12.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E26 D27 | E26-G30 WeakPolarHBondContact OE1-CA 3.4Å; D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.42Å |
| 31 | K | 92.5 | Very high | 88.7 | Confident | 141 Ų | 141 | 63.8 Ų | 63.8 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | trans | -87.3 | 132.3 | 178.3 | -173.2 | -174.7 | 175.9 | -169.7 | 0 | 110.6 | E26 D27 | E26-K31 WeakPolarHBondContact CA-O 3.46Å; D27-K31 PolarHBondContact N-O 2.91Å; D27-K31 WeakPolarHBondContact OD1-CB 3.08Å; D27-K31 PolarHBondContact OD1-N 3.47Å | ||
| 32 | E | 93 | Very high | 87.2 | Confident | 119 Ų | 119 | 64 Ų | 64 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.6 | 172.7 | -56.8 | -170 | 162.6 | 0 | 0 | 111.4 | L13 F25 | L13-E32 HydrophobicContact CD1-CB 4.46Å; L13-E32 HydrophobicContact CD1-CG 3.8Å; F25-E32 CarbonylContact O-C 3.49Å; F25-E32 WeakPolarHBondContact O-CA 3.41Å |
| 33 | V | 91.9 | Very high | 85.4 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.4 | -177.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | F25 D27 D38 | F25-V33 PolarHBondContact N-O 3.32Å; F25-V33 PolarHBondContact O-N 2.79Å; D27-V33 HydrophobicContact CB-CG2 4.44Å; V33-D38 HydrophobicContact CG1-CB 4.07Å |
| 34 | C | 93.4 | Very high | 83.4 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111.7 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 110 | C17 C20 L24 R36 C37 D38 | C17-C34 HydrophobicContact CB-CB 3.91Å; C17-C34 WeakPolarHBondContact CB-SG 3.45Å; C17-C34 VanDerWaalsContact SG-SG 3.68Å; C20-C34 PolarHBondContact SG-SG 3.05Å; L24-C34 HydrophobicContact CD2-CB 3.68Å; C34-R36 PolarHBondContact O-N 2.99Å; C34-C37 HydrophobicContact CB-CB 3.99Å; C34-C37 PolarHBondContact O-N 2.8Å; C34-C37 VanDerWaalsContact O-N 3.09Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C34-D38 VanDerWaalsContact O-CB 3.29Å; C34-D38 WeakPolarHBondContact O-CB 3.46Å; C34-D38 PolarHBondContact O-N 3.4Å |
| 35 | V | 88.7 | Confident | 81.2 | Confident | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.055 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -23.5 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | M2 R5 F25 L39 | M2-V35 HydrophobicContact CE-CG2 4.11Å; M2-V35 HydrophobicContact CG-CG2 3.83Å; R5-V35 HydrophobicContact CG-CG1 3.74Å; F25-V35 HydrophobicContact CD2-CG1 3.51Å; F25-V35 HydrophobicContact CE2-CG1 3.75Å; F25-V35 HydrophobicContact CE2-CG2 4.37Å; F25-V35 HydrophobicContact CG-CG1 4.15Å; V35-L39 VanDerWaalsContact O-CD1 3.31Å; V35-L39 WeakPolarHBondContact O-CD1 3.29Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å |
| 36 | R | 88.8 | Confident | 78.6 | Confident | 161 Ų | 161 | 91.6 Ų | 91.6 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -83.2 | -39.8 | 178 | -171 | 74.5 | -173.3 | -118.2 | 5.2 | 111.4 | C20 C22 C34 I40 | C20-R36 HydrophobicContact CB-CG 4.27Å; C22-R36 HydrophobicContact CB-CB 3.96Å; C34-R36 PolarHBondContact O-N 2.99Å; R36-I40 WeakPolarHBondContact O-CD1 3.33Å; R36-I40 WeakPolarHBondContact O-CG1 3.3Å |
| 37 | C | 89 | Confident | 76.5 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 14% | 0.135 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -76.8 | -38.4 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | C34 L39 I40 D41 | C34-C37 HydrophobicContact CB-CB 3.99Å; C34-C37 PolarHBondContact O-N 2.8Å; C34-C37 VanDerWaalsContact O-N 3.09Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C37-L39 PolarHBondContact O-N 2.72Å; C37-I40 WeakPolarHBondContact O-CA 3.31Å; C37-I40 WeakPolarHBondContact O-CB 3.45Å; C37-I40 PolarHBondContact O-N 3.35Å; C37-D41 PolarHBondContact O-N 3.05Å |
| 38 | D | 85.4 | Confident | 74.3 | Confident | 45 Ų | 45 | 99.8 Ų | 99.8 | 24% | 0.241 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 179.4 | -153.5 | 51 | 0 | 0 | 0 | 111.5 | R5 V33 C34 I40 D41 D42 | R5-D38 IonicContact CZ-OD2 2.58Å; R5-D38 VanDerWaalsContact CZ-OD2 3.26Å; R5-D38 IonicContact NH1-OD2 3.91Å; R5-D38 IonicContact NH2-OD2 3.68Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å; V33-D38 HydrophobicContact CG1-CB 4.07Å; C34-D38 VanDerWaalsContact O-CB 3.29Å; C34-D38 WeakPolarHBondContact O-CB 3.46Å; C34-D38 PolarHBondContact O-N 3.4Å; D38-I40 VanDerWaalsContact C-N 3.25Å; D38-I40 PolarHBondContact O-N 2.58Å; D38-D41 PolarHBondContact O-N 3.39Å; D38-D42 WeakPolarHBondContact O-CB 3.48Å; D38-D42 PolarHBondContact O-N 2.88Å |
| 39 | L | 78.1 | Confident | 72.4 | Confident | 88 Ų | 88 | 104 Ų | 104 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -24.8 | 173.5 | -71.1 | 173.2 | 0 | 0 | 0 | 113.8 | V35 C37 | V35-L39 VanDerWaalsContact O-CD1 3.31Å; V35-L39 WeakPolarHBondContact O-CD1 3.29Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; C37-L39 PolarHBondContact O-N 2.72Å |
| 40 | I | 72.9 | Confident | 70.7 | Confident | 88 Ų | 88 | 103 Ų | 103 | 45% | 0.451 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -85.7 | -38.4 | 178.5 | -60.9 | 165.8 | 0 | 0 | 0 | 109.6 | R36 C37 D38 E43 | R36-I40 WeakPolarHBondContact O-CD1 3.33Å; R36-I40 WeakPolarHBondContact O-CG1 3.3Å; C37-I40 WeakPolarHBondContact O-CA 3.31Å; C37-I40 WeakPolarHBondContact O-CB 3.45Å; C37-I40 PolarHBondContact O-N 3.35Å; D38-I40 VanDerWaalsContact C-N 3.25Å; D38-I40 PolarHBondContact O-N 2.58Å; I40-E43 PolarHBondContact O-N 2.88Å |
| 41 | D | 61.9 | Low | 68.5 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.4 | -35.9 | 179.7 | -66.1 | -29.2 | 0 | 0 | 0 | 111.2 | C37 D38 E43 M44 | C37-D41 PolarHBondContact O-N 3.05Å; D38-D41 PolarHBondContact O-N 3.39Å; D41-E43 PolarHBondContact O-N 3.16Å; D41-M44 PolarHBondContact O-N 2.94Å |
| 42 | D | 59.3 | Low | 66.2 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -24.7 | 173.3 | -80.7 | -20 | 0 | 0 | 0 | 113.2 | D38 M44 | D38-D42 WeakPolarHBondContact O-CB 3.48Å; D38-D42 PolarHBondContact O-N 2.88Å; D42-M44 VanDerWaalsContact C-N 3.25Å; D42-M44 PolarHBondContact O-N 3.33Å |
| 43 | E | 54.3 | Low | 64 | Low | 165 Ų | 165 | 111.4 Ų | 111.4 | 77% | 0.771 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -12.3 | 175.7 | -70.5 | -172.4 | 129.3 | 0 | 0 | 112.9 | I40 D41 | I40-E43 PolarHBondContact O-N 2.88Å; D41-E43 PolarHBondContact O-N 3.16Å |
| 44 | M | 51.9 | Low | 62.1 | Low | 158 Ų | 158 | 117.4 Ų | 117.4 | 78% | 0.778 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -15.8 | -178.2 | -72.9 | -174.2 | 57.3 | 0 | 0 | 114.5 | D41 D42 Q46 | D41-M44 PolarHBondContact O-N 2.94Å; D42-M44 VanDerWaalsContact C-N 3.25Å; D42-M44 PolarHBondContact O-N 3.33Å; M44-Q46 PolarHBondContact O-N 3.2Å; M44-Q46 VanDerWaalsContact O-N 3.17Å |
| 45 | E | 48.7 | Very low | 59.7 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | trans | -87.6 | 75.2 | 174 | -69.6 | -167.1 | 165.8 | 0 | 0 | 111.2 | P47 | E45-P47 VanDerWaalsContact O-CD 3.23Å; E45-P47 WeakPolarHBondContact O-CD 3.44Å | ||
| 46 | Q | 39.6 | Very low | 57.8 | Low | 181 Ų | 181 | 127.7 Ų | 127.7 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.3 | 162.4 | -88.6 | -162.2 | -21.8 | 0 | 0 | 109.9 | M44 T48 | M44-Q46 PolarHBondContact O-N 3.2Å; M44-Q46 VanDerWaalsContact O-N 3.17Å; Q46-T48 PolarHBondContact O-N 3.07Å |
| 47 | P | 51.6 | Low | 56 | Low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 123.3 | 175 | -12.7 | 29.6 | 0 | 0 | 0 | 109.9 | E45 E49 | E45-P47 VanDerWaalsContact O-CD 3.23Å; E45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-E49 PolarHBondContact O-N 2.98Å |
| 48 | T | 45.4 | Very low | 53.8 | Low | 140 Ų | 140 | 131.2 Ų | 131.2 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -53 | 119.7 | 166.1 | -47.3 | 0 | 0 | 0 | 0 | 109.1 | Q46 | Q46-T48 PolarHBondContact O-N 3.07Š|
| 49 | E | 51.1 | Low | 51.6 | Low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.1 | -177.8 | -58.1 | -143.7 | 144.8 | 0 | 0 | 112.7 | P47 | P47-E49 PolarHBondContact O-N 2.98Š|
| 50 | P | 55.6 | Low | 49.9 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -107.3 | 110.2 | 154.6 | 31.4 | -18.1 | 0 | 0 | 0 | 110.2 | ||||
| 51 | D | 44.6 | Very low | 48.3 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 28.4 | 138.4 | 146.5 | -140.2 | -9.9 | 0 | 0 | 0 | 121.8 | ||||
| 52 | A | 45 | Very low | 47.6 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | trans | -61.1 | 148.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 53 | R | 46.1 | Very low | 46.7 | Very low | 250 Ų | 250 | 142.6 Ų | 142.6 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | -167.7 | 129.4 | 124.4 | -96.4 | 149.5 | -157 | -119.6 | 8.8 | 111.6 | |||||
| 54 | I | 53 | Low | 46.2 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 140.8 | -174.5 | -63.9 | 166.5 | 0 | 0 | 0 | 110.2 | N56 | I54-N56 WeakPolarHBondContact CG2-OD1 3.2Š| ||
| 55 | A | 43.6 | Very low | 45.8 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -154.9 | 125.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 56 | N | 47.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -103.8 | 141.4 | -171.3 | -35 | -41.2 | 0 | 0 | 0 | 108.2 | I54 | I54-N56 WeakPolarHBondContact CG2-OD1 3.2Š| ||
| 57 | V | 52 | Low | 46.1 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -153 | 126.6 | 143.6 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | P | 41.3 | Very low | 45.7 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -96.4 | 144.2 | 173.9 | 34.5 | -28.2 | 0 | 0 | 0 | 114 | ||||
| 59 | T | 40.4 | Very low | 45.6 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | 16.3 | 123.3 | 142.2 | -46.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 60 | A | 41.7 | Very low | 45.2 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -172.6 | 137.6 | 130.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 61 | G | 39.5 | Very low | 44.9 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 124.1 | 115.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 62 | L | 47.7 | Very low | 45 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | 93.4 | 88.6 | 137.1 | -51.2 | 171 | 0 | 0 | 0 | 118.1 | ||||
| 63 | L | 40.9 | Very low | 45 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 175.4 | 134.8 | -73.8 | 177.1 | 0 | 0 | 0 | 108.4 | ||||
| 64 | P | 43.6 | Very low | 44.9 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -131.8 | -168.8 | -16 | 22.1 | 3.3 | 0 | 0 | 0 | 111.4 | ||||
| 65 | L | 42.5 | Very low | 44.2 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 128.6 | 123.8 | 136.5 | -126.6 | 77.4 | 0 | 0 | 0 | 116.1 | ||||
| 66 | A | 42 | Very low | 44.2 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | 100.2 | 131.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 67 | N | 52.4 | Low | 43.9 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 88.1 | 148.6 | 143.4 | -61.1 | -13 | 0 | 0 | 0 | 118.2 | ||||
| 68 | T | 43.7 | Very low | 43.6 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | 179.9 | 148.6 | -19 | -67.4 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 69 | G | 42.7 | Very low | 43.4 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | 140.1 | 91.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | E | 44 | Very low | 43.4 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | 61.4 | 105.9 | 81.8 | -63.9 | -169.9 | 117.9 | 0 | 0 | 113.7 | |||||
| 71 | N | 48 | Very low | 43.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | -175.6 | 113.9 | 124.2 | -104.1 | -85 | 0 | 0 | 0 | 111.8 | |||||
| 72 | L | 48.2 | Very low | 43.3 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 31.3 | 138.1 | 124.4 | -68.2 | 150.2 | 0 | 0 | 0 | 118.1 | |||||
| 73 | R | 43.7 | Very low | 43 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | cis | -175 | -171.6 | 3.3 | -147.8 | -159.2 | 150.7 | 152.3 | -7.7 | 104.8 | ||||
| 74 | P | 43.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 60% | 0.597 | 77% | 0.766 | S | S | * | * | -115.9 | 155.7 | -126.9 | 33.9 | -12.1 | 0 | 0 | 0 | 115.5 | |||||
| 75 | H | 40.2 | Very low | 43.9 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 91% | 0.912 | 77% | 0.769 | S | S | * | * | trans | -147.4 | 133.7 | 156.7 | -130.6 | -81.9 | 0 | 0 | 0 | 112.3 | ||||
| 76 | V | 42.9 | Very low | 44.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | -116.8 | 167.4 | -175.1 | -177.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 77 | P | 41.9 | Very low | 45.4 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | -122.9 | 144 | -57.2 | 35 | -19 | 0 | 0 | 0 | 111.7 | |||||
| 78 | I | 44.2 | Very low | 46 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | trans | -135.2 | 130.7 | 164.1 | -54.6 | 179.2 | 0 | 0 | 0 | 109.3 | ||||
| 79 | Q | 38.1 | Very low | 47.2 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -49.6 | 144.1 | -165.2 | -60.1 | -178.2 | -49.8 | 0 | 0 | 116.5 | ||||
| 80 | P | 39.3 | Very low | 48.8 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | trans | -96.6 | 105.8 | 156.9 | 33.5 | -21.1 | 0 | 0 | 0 | 108.8 | ||||
| 81 | H | 36.1 | Very low | 50.5 | Low | 144 Ų | 144 | 136.1 Ų | 136.1 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | trans | -105.7 | 142.9 | 153.3 | 107 | -49.1 | 0 | 0 | 0 | 107.2 | ||||
| 82 | M | 43 | Very low | 51.9 | Low | 147 Ų | 147 | 134.4 Ų | 134.4 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 100.9 | 132.3 | 173.9 | -60.1 | -73.5 | 152.7 | 0 | 0 | 116.4 | ||
| 83 | E | 43 | Very low | 53.4 | Low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | 89.6 | 69.2 | 165.7 | -59.6 | -172.2 | 91.7 | 0 | 0 | 119 | K85 | E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.97Å | ||
| 84 | S | 50.6 | Low | 55.2 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | -83.7 | 19.7 | 158.6 | 49 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | K | 51.8 | Low | 57.3 | Low | 175 Ų | 175 | 132.7 Ų | 132.7 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | trans | -94.5 | -15.1 | -176.6 | -152.2 | 172.7 | -177.5 | -177.5 | 0 | 114.9 | E83 | E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.97Å | ||
| 86 | S | 57.5 | Low | 59.4 | Low | 83 Ų | 83 | 127.1 Ų | 127.1 | 58% | 0.58 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.3 | -18.3 | -175.3 | 92 | 0 | 0 | 0 | 0 | 114.4 | D88 S90 | S86-D88 PolarHBondContact O-N 3.43Å; S86-S90 WeakPolarHBondContact O-CB 3.48Å; S86-S90 PolarHBondContact O-N 3.42Å; S86-S90 PolarHBondContact O-OG 2.78Å |
| 87 | T | 58.9 | Low | 61.4 | Low | 86 Ų | 86 | 125.2 Ų | 125.2 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.4 | -31.5 | -177.4 | -45.4 | 0 | 0 | 0 | 0 | 112.5 | S90 N91 | T87-S90 PolarHBondContact O-OG 3.12Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; T87-N91 PolarHBondContact O-N 2.94Å; T87-N91 PolarHBondContact O-ND2 3.36Å |
| 88 | D | 64.1 | Low | 63.4 | Low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.8 | -43.6 | -175.6 | -147.8 | 5.1 | 0 | 0 | 0 | 111.5 | S86 S90 N91 L92 | S86-D88 PolarHBondContact O-N 3.43Å; D88-S90 PolarHBondContact O-N 2.9Å; D88-N91 PolarHBondContact O-N 3.06Å; D88-L92 PolarHBondContact O-N 3.29Å |
| 89 | E | 68.7 | Low | 65.5 | Low | 142 Ų | 142 | 118.9 Ų | 118.9 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.6 | -38.4 | 177.5 | -68.5 | -164.7 | 125.4 | 0 | 0 | 112.8 | L92 Q93 | E89-L92 PolarHBondContact O-N 2.97Å; E89-Q93 WeakPolarHBondContact O-CB 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.5Å |
| 90 | S | 77 | Confident | 67.8 | Low | 53 Ų | 53 | 113.4 Ų | 113.4 | 37% | 0.371 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.2 | -35.9 | 177.6 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | S86 T87 D88 R94 | S86-S90 WeakPolarHBondContact O-CB 3.48Å; S86-S90 PolarHBondContact O-N 3.42Å; S86-S90 PolarHBondContact O-OG 2.78Å; T87-S90 PolarHBondContact O-OG 3.12Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; D88-S90 PolarHBondContact O-N 2.9Å; S90-R94 VanDerWaalsContact O-CG 3.24Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 2.79Å; S90-R94 VanDerWaalsContact O-N 3.15Å |
| 91 | N | 79.3 | Confident | 69.9 | Low | 84 Ų | 84 | 111.5 Ų | 111.5 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69 | -44.7 | 173.6 | -77.7 | -51 | 0 | 0 | 0 | 111.6 | T87 D88 Q93 R94 E95 | T87-N91 PolarHBondContact O-N 2.94Å; T87-N91 PolarHBondContact O-ND2 3.36Å; D88-N91 PolarHBondContact O-N 3.06Å; N91-Q93 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-E95 PolarHBondContact O-N 2.82Å |
| 92 | L | 78.2 | Confident | 72.3 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.8 | -45.6 | 176.7 | -177.7 | 64.1 | 0 | 0 | 0 | 111.9 | D88 E89 R94 E95 V96 | D88-L92 PolarHBondContact O-N 3.29Å; E89-L92 PolarHBondContact O-N 2.97Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3Å; L92-E95 PolarHBondContact O-N 2.88Å; L92-V96 HydrophobicContact CD1-CG2 4.48Å; L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.88Å |
| 93 | Q | 79.2 | Confident | 74.4 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 176.2 | -76.2 | -171.2 | -5.4 | 0 | 0 | 111.6 | E89 N91 E95 V96 F97 | E89-Q93 WeakPolarHBondContact O-CB 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.5Å; N91-Q93 PolarHBondContact O-N 2.95Å; Q93-E95 VanDerWaalsContact C-N 3.31Å; Q93-E95 PolarHBondContact O-N 2.79Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q93-F97 WeakPolarHBondContact O-CB 3.34Å; Q93-F97 WeakPolarHBondContact O-CD2 3.48Å; Q93-F97 PolarHBondContact O-N 3.3Å |
| 94 | R | 82.3 | Confident | 76.4 | Confident | 179 Ų | 179 | 101 Ų | 101 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -38.2 | 178 | -73.1 | 176.9 | 81.7 | 174.1 | 7.6 | 112.3 | S90 N91 L92 T98 | S90-R94 VanDerWaalsContact O-CG 3.24Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 2.79Å; S90-R94 VanDerWaalsContact O-N 3.15Å; N91-R94 PolarHBondContact O-N 2.95Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3Å; R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.37Å |
| 95 | E | 86.4 | Confident | 77.9 | Confident | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -49 | 175.6 | -173.4 | 173.1 | -171.3 | 0 | 0 | 111.2 | N91 L92 Q93 F97 T98 E99 | N91-E95 PolarHBondContact O-N 2.82Å; L92-E95 PolarHBondContact O-N 2.88Å; Q93-E95 VanDerWaalsContact C-N 3.31Å; Q93-E95 PolarHBondContact O-N 2.79Å; E95-F97 PolarHBondContact O-N 2.64Å; E95-T98 WeakPolarHBondContact O-CA 3.32Å; E95-T98 WeakPolarHBondContact O-CB 3.24Å; E95-T98 PolarHBondContact O-N 2.99Å; E95-E99 PolarHBondContact O-N 3.42Å |
| 96 | V | 85.8 | Confident | 79.5 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L92 Q93 T98 E99 V100 | L92-V96 HydrophobicContact CD1-CG2 4.48Å; L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.88Å; Q93-V96 PolarHBondContact O-N 3.16Å; V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.47Å; V96-E99 PolarHBondContact O-N 3.32Å; V96-V100 HydrophobicContact CG1-CG2 4.3Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 VanDerWaalsContact O-CG2 3.26Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.15Å |
| 97 | F | 83.5 | Confident | 80.7 | Confident | 78 Ų | 78 | 92.8 Ų | 92.8 | 34% | 0.342 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 176.2 | -87.4 | -71 | 0 | 0 | 0 | 112.3 | Q93 E95 R101 F142 | Q93-F97 WeakPolarHBondContact O-CB 3.34Å; Q93-F97 WeakPolarHBondContact O-CD2 3.48Å; Q93-F97 PolarHBondContact O-N 3.3Å; E95-F97 PolarHBondContact O-N 2.64Å; F97-R101 WeakPolarHBondContact O-CB 3.23Å; F97-R101 VanDerWaalsContact O-CG 3.23Å; F97-R101 WeakPolarHBondContact O-CG 3.36Å; F97-R101 PolarHBondContact O-N 3.27Å; F97-F142 HydrophobicContact CE1-CD1 4.34Å; F97-F142 HydrophobicContact CE1-CG 4.35Å; F97-F142 HydrophobicContact CZ-CD1 4.3Å; F97-F142 HydrophobicContact CZ-CE1 4.47Å |
| 98 | T | 85.2 | Confident | 81.8 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | R94 E95 V96 R101 K102 | R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.37Å; E95-T98 WeakPolarHBondContact O-CA 3.32Å; E95-T98 WeakPolarHBondContact O-CB 3.24Å; E95-T98 PolarHBondContact O-N 2.99Å; V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.47Å; T98-R101 PolarHBondContact O-N 2.96Å; T98-K102 WeakPolarHBondContact O-CG 3.41Å; T98-K102 PolarHBondContact O-N 3.15Å; T98-K102 VanDerWaalsContact O-N 3.09Å |
| 99 | E | 88.1 | Confident | 82.8 | Confident | 89 Ų | 89 | 93.3 Ų | 93.3 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 176.5 | -71.9 | -52.9 | 124.7 | 0 | 0 | 112.3 | E95 V96 R101 K102 V103 | E95-E99 PolarHBondContact O-N 3.42Å; V96-E99 PolarHBondContact O-N 3.32Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.12Å; E99-K102 VanDerWaalsContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.48Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; E99-V103 WeakPolarHBondContact O-CG2 3.28Å; E99-V103 PolarHBondContact O-N 2.9Å |
| 100 | V | 85.3 | Confident | 83.4 | Confident | 62 Ų | 62 | 91 Ų | 91 | 38% | 0.376 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V96 K102 V103 I104 | V96-V100 HydrophobicContact CG1-CG2 4.3Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 VanDerWaalsContact O-CG2 3.26Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.15Å; V100-K102 PolarHBondContact O-N 3.41Å; V100-V103 PolarHBondContact O-N 3.41Å; V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.19Å; V100-I104 PolarHBondContact O-N 3.01Å |
| 101 | R | 84 | Confident | 83.4 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.2 | -78.4 | 172.7 | -176.5 | 168.2 | -0.6 | 112.5 | F97 T98 E99 A105 F139 D143 | F97-R101 WeakPolarHBondContact O-CB 3.23Å; F97-R101 VanDerWaalsContact O-CG 3.23Å; F97-R101 WeakPolarHBondContact O-CG 3.36Å; F97-R101 PolarHBondContact O-N 3.27Å; T98-R101 PolarHBondContact O-N 2.96Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.4Å; R101-A105 VanDerWaalsContact O-CB 3.29Å; R101-A105 WeakPolarHBondContact O-CB 3.24Å; R101-A105 PolarHBondContact O-N 3.33Å; R101-F139 HydrophobicContact CG-CD1 4.46Å; R101-F139 HydrophobicContact CG-CE1 4.23Å; R101-D143 IonicContact CZ-OD1 3.58Å; R101-D143 IonicContact NH1-OD1 3.93Å; R101-D143 IonicContact NH2-OD1 2.63Å; R101-D143 PolarHBondContact NH2-OD1 3.32Å; R101-D143 IonicContact NH2-OD2 3.7Å |
| 102 | K | 86.5 | Confident | 83.4 | Confident | 118 Ų | 118 | 89.9 Ų | 89.9 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 177.9 | -72.9 | 172.5 | -175.2 | 169.7 | 0 | 111.6 | T98 E99 V100 I104 A105 S106 | T98-K102 WeakPolarHBondContact O-CG 3.41Å; T98-K102 PolarHBondContact O-N 3.15Å; T98-K102 VanDerWaalsContact O-N 3.09Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.12Å; E99-K102 VanDerWaalsContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.48Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; V100-K102 PolarHBondContact O-N 3.41Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.84Å; K102-A105 PolarHBondContact O-N 3.17Å; K102-S106 PolarHBondContact O-N 3.32Å |
| 103 | V | 87.4 | Confident | 83.7 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 110 | E99 V100 A105 S106 E107 | E99-V103 WeakPolarHBondContact O-CG2 3.28Å; E99-V103 PolarHBondContact O-N 2.9Å; V100-V103 PolarHBondContact O-N 3.41Å; V103-A105 PolarHBondContact O-N 3.49Å; V103-S106 VanDerWaalsContact O-CB 3.31Å; V103-S106 WeakPolarHBondContact O-CB 3.45Å; V103-S106 PolarHBondContact O-N 2.99Å; V103-S106 VanDerWaalsContact O-N 3.11Å; V103-E107 PolarHBondContact O-N 3.48Å |
| 104 | I | 84.3 | Confident | 83.6 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 20% | 0.195 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 179.7 | -74.3 | 165.6 | 0 | 0 | 0 | 111 | V100 K102 S106 E107 I108 L135 F139 | V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.19Å; V100-I104 PolarHBondContact O-N 3.01Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.84Å; I104-S106 PolarHBondContact O-N 3.14Å; I104-E107 PolarHBondContact O-N 2.91Å; I104-E107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.66Å; I104-I108 HydrophobicContact CG2-CG1 4.09Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3.3Å; I104-L135 HydrophobicContact CD1-CD1 4.46Å; I104-L135 HydrophobicContact CD1-CD2 4.43Å; I104-L135 HydrophobicContact CG2-CD2 3.49Å; I104-L135 VanDerWaalsContact CG2-CD2 3.49Å; I104-L135 HydrophobicContact CG2-CG 4.46Å; I104-F139 HydrophobicContact CD1-CE2 3.69Å; I104-F139 HydrophobicContact CD1-CZ 3.31Å; I104-F139 HydrophobicContact CG2-CE2 4Å |
| 105 | A | 83.2 | Confident | 83.1 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 31% | 0.306 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.6 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R101 K102 V103 R109 | R101-A105 VanDerWaalsContact O-CB 3.29Å; R101-A105 WeakPolarHBondContact O-CB 3.24Å; R101-A105 PolarHBondContact O-N 3.33Å; K102-A105 PolarHBondContact O-N 3.17Å; V103-A105 PolarHBondContact O-N 3.49Å; A105-R109 VanDerWaalsContact O-CG 3.24Å; A105-R109 WeakPolarHBondContact O-CG 3.14Å; A105-R109 PolarHBondContact O-N 3.42Å; A105-R109 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 84.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 39% | 0.392 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65 | -50.1 | 173.8 | -173 | 0 | 0 | 0 | 0 | 112 | K102 V103 I104 I108 R109 L110 | K102-S106 PolarHBondContact O-N 3.32Å; V103-S106 VanDerWaalsContact O-CB 3.31Å; V103-S106 WeakPolarHBondContact O-CB 3.45Å; V103-S106 PolarHBondContact O-N 2.99Å; V103-S106 VanDerWaalsContact O-N 3.11Å; I104-S106 PolarHBondContact O-N 3.14Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.26Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.44Å; S106-R109 VanDerWaalsContact O-N 3.12Å; S106-L110 WeakPolarHBondContact O-CG 3.24Å; S106-L110 PolarHBondContact O-N 3.11Å |
| 107 | E | 83.4 | Confident | 82.8 | Confident | 112 Ų | 112 | 83.1 Ų | 83.1 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.7 | -68.6 | -53.6 | 131 | 0 | 0 | 112.3 | V103 I104 R109 L110 A111 | V103-E107 PolarHBondContact O-N 3.48Å; I104-E107 PolarHBondContact O-N 2.91Å; I104-E107 VanDerWaalsContact O-N 3.14Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.22Å; E107-L110 PolarHBondContact O-N 3.22Å; E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.02Å |
| 108 | I | 81.9 | Confident | 82.4 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.4 | -62.6 | -179.8 | 0 | 0 | 0 | 110.6 | I104 S106 A111 L112 L132 | I104-I108 HydrophobicContact CG2-CD1 3.66Å; I104-I108 HydrophobicContact CG2-CG1 4.09Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3.3Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.26Å; I108-A111 PolarHBondContact O-N 3.06Å; I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CB 3.43Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.49Å; I108-L132 HydrophobicContact CB-CD2 4.05Å; I108-L132 HydrophobicContact CD1-CD2 3.68Å; I108-L132 HydrophobicContact CG1-CD2 3.36Å; I108-L132 HydrophobicContact CG2-CD1 4.48Å; I108-L132 HydrophobicContact CG2-CD2 3.78Å |
| 109 | R | 83.7 | Confident | 81.9 | Confident | 177 Ų | 177 | 87.6 Ų | 87.6 | 67% | 0.668 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 178.3 | -74.9 | 170.9 | -173.3 | 159.7 | 2.4 | 111.5 | A105 S106 E107 L112 V113 | A105-R109 VanDerWaalsContact O-CG 3.24Å; A105-R109 WeakPolarHBondContact O-CG 3.14Å; A105-R109 PolarHBondContact O-N 3.42Å; A105-R109 VanDerWaalsContact O-N 3.15Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.44Å; S106-R109 VanDerWaalsContact O-N 3.12Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.22Å; R109-L112 PolarHBondContact O-N 2.89Å; R109-V113 WeakPolarHBondContact O-CG2 3.2Å; R109-V113 PolarHBondContact O-N 3.13Å |
| 110 | L | 82.6 | Confident | 81 | Confident | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 176.1 | -71.3 | 171.2 | 0 | 0 | 0 | 111 | S106 E107 L112 V113 E114 | S106-L110 WeakPolarHBondContact O-CG 3.24Å; S106-L110 PolarHBondContact O-N 3.11Å; E107-L110 PolarHBondContact O-N 3.22Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.21Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-V113 VanDerWaalsContact O-N 3.12Å; L110-E114 PolarHBondContact O-N 2.96Å |
| 111 | A | 76.2 | Confident | 80.7 | Confident | 35 Ų | 35 | 87.7 Ų | 87.7 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E107 I108 V113 E114 F115 | E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.02Å; I108-A111 PolarHBondContact O-N 3.06Å; A111-V113 PolarHBondContact O-N 3.34Å; A111-E114 PolarHBondContact O-N 2.91Å; A111-F115 VanDerWaalsContact O-CB 3.28Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 3.21Å |
| 112 | L | 78.9 | Confident | 80.3 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 40% | 0.403 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 176.6 | -72.9 | 173.4 | 0 | 0 | 0 | 113.1 | I108 R109 L110 K116 | I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CB 3.43Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.49Å; R109-L112 PolarHBondContact O-N 2.89Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.21Å; L112-K116 WeakPolarHBondContact O-CG 3.44Å; L112-K116 PolarHBondContact O-N 3.47Å |
| 113 | V | 84.1 | Confident | 80 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 42% | 0.418 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 174.6 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | R109 L110 A111 F115 K116 K117 | R109-V113 WeakPolarHBondContact O-CG2 3.2Å; R109-V113 PolarHBondContact O-N 3.13Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-V113 VanDerWaalsContact O-N 3.12Å; A111-V113 PolarHBondContact O-N 3.34Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.14Å; V113-K116 PolarHBondContact O-N 3.11Å; V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.37Å; V113-K117 PolarHBondContact O-N 2.95Å |
| 114 | E | 79 | Confident | 79.6 | Confident | 55 Ų | 55 | 84.8 Ų | 84.8 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 178.1 | -65.7 | -58.3 | 114.6 | 0 | 0 | 112.1 | L110 A111 K117 R119 | L110-E114 PolarHBondContact O-N 2.96Å; A111-E114 PolarHBondContact O-N 2.91Å; E114-K117 PolarHBondContact O-N 3.3Å; E114-K117 IonicContact OE1-NZ 2.72Å; E114-K117 PolarHBondContact OE1-NZ 3.43Å; E114-R119 PolarHBondContact O-N 2.99Å; E114-R119 IonicContact OE1-NH1 3.77Å; E114-R119 VanDerWaalsContact OE2-CD 3.27Å; E114-R119 WeakPolarHBondContact OE2-CD 3.42Å; E114-R119 IonicContact OE2-CZ 3.61Å; E114-R119 IonicContact OE2-NE 3.26Å; E114-R119 IonicContact OE2-NH1 2.8Å; E114-R119 PolarHBondContact OE2-NH1 3.43Å |
| 115 | F | 72 | Confident | 79 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 22% | 0.219 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 170.2 | -179.3 | -80.6 | 0 | 0 | 0 | 111.9 | A111 V113 K117 G118 R125 L129 | A111-F115 VanDerWaalsContact O-CB 3.28Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 3.21Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.14Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.02Å; F115-G118 PolarHBondContact O-N 2.99Å; F115-G118 VanDerWaalsContact O-N 3.14Å; F115-R125 HydrophobicContact CD2-CB 3.93Å; F115-R125 HydrophobicContact CD2-CG 3.48Å; F115-R125 VanDerWaalsContact CD2-CG 3.48Å; F115-R125 HydrophobicContact CE2-CB 3.57Å; F115-R125 HydrophobicContact CE2-CG 3.55Å; F115-R125 HydrophobicContact CG-CG 4.46Å; F115-R125 VanDerWaalsContact CZ-CZ 3.44Å; F115-L129 HydrophobicContact CE2-CD1 4.38Å |
| 116 | K | 79.9 | Confident | 78.9 | Confident | 184 Ų | 184 | 89.7 Ų | 89.7 | 80% | 0.8 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.3 | -30.1 | 178.4 | -79 | -177.6 | 177.1 | -176.2 | 0 | 112.9 | L112 V113 G118 | L112-K116 WeakPolarHBondContact O-CG 3.44Å; L112-K116 PolarHBondContact O-N 3.47Å; V113-K116 PolarHBondContact O-N 3.11Å; K116-G118 PolarHBondContact O-N 3.46Å |
| 117 | K | 84.6 | Confident | 78.8 | Confident | 117 Ų | 117 | 91.1 Ų | 91.1 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2 | 174.7 | -69.6 | 174.9 | -171.2 | 164.6 | 0 | 113.6 | V113 E114 F115 R119 | V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.37Å; V113-K117 PolarHBondContact O-N 2.95Å; E114-K117 PolarHBondContact O-N 3.3Å; E114-K117 IonicContact OE1-NZ 2.72Å; E114-K117 PolarHBondContact OE1-NZ 3.43Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.02Å; K117-R119 HydrophobicContact CB-CG 4.18Å; K117-R119 PolarHBondContact O-N 3.08Å |
| 118 | G | 76.5 | Confident | 78.4 | Confident | 60 Ų | 60 | 87.4 Ų | 87.4 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 17.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F115 K116 Q120 | F115-G118 PolarHBondContact O-N 2.99Å; F115-G118 VanDerWaalsContact O-N 3.14Å; K116-G118 PolarHBondContact O-N 3.46Å; G118-Q120 VanDerWaalsContact C-N 3.26Å; G118-Q120 PolarHBondContact O-N 3.39Å |
| 119 | R | 73.7 | Confident | 78.3 | Confident | 174 Ų | 174 | 88.6 Ų | 88.6 | 66% | 0.657 | 45% | 0.454 | S | S | * | . | trans | -80.5 | -3.7 | -178.2 | -67.8 | -166.5 | -163 | 169.3 | -11.9 | 114.3 | E114 K117 | E114-R119 PolarHBondContact O-N 2.99Å; E114-R119 IonicContact OE1-NH1 3.77Å; E114-R119 VanDerWaalsContact OE2-CD 3.27Å; E114-R119 WeakPolarHBondContact OE2-CD 3.42Å; E114-R119 IonicContact OE2-CZ 3.61Å; E114-R119 IonicContact OE2-NE 3.26Å; E114-R119 IonicContact OE2-NH1 2.8Å; E114-R119 PolarHBondContact OE2-NH1 3.43Å; K117-R119 HydrophobicContact CB-CG 4.18Å; K117-R119 PolarHBondContact O-N 3.08Å | ||
| 120 | Q | 70.3 | Confident | 78.4 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -114.1 | 133.3 | 179.3 | -67 | -169.8 | -13.3 | 0 | 0 | 110.8 | G118 R125 | G118-Q120 VanDerWaalsContact C-N 3.26Å; G118-Q120 PolarHBondContact O-N 3.39Å; Q120-R125 HydrophobicContact CB-CG 3.72Å; Q120-R125 WeakPolarHBondContact O-CD 3.39Å |
| 121 | N | 77.6 | Confident | 78.5 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | trans | -65.4 | 159.6 | 170 | 68.6 | 52.9 | 0 | 0 | 0 | 110.4 | S123 S124 R125 | N121-S123 PolarHBondContact O-N 3.21Å; N121-S123 WeakPolarHBondContact OD1-CB 3.37Å; N121-S123 PolarHBondContact OD1-N 3.27Å; N121-S123 VanDerWaalsContact OD1-N 3.14Å; N121-S124 PolarHBondContact ND2-OG 2.9Å; N121-S124 PolarHBondContact O-N 2.95Å; N121-S124 WeakPolarHBondContact OD1-CB 3.29Å; N121-S124 PolarHBondContact OD1-N 3Å; N121-S124 PolarHBondContact OD1-OG 3.44Å; N121-S124 VanDerWaalsContact OD1-OG 3.06Å; N121-R125 VanDerWaalsContact O-CG 3.26Å; N121-R125 WeakPolarHBondContact O-CG 3.46Å; N121-R125 PolarHBondContact O-N 3.41Å | ||
| 122 | V | 77.1 | Confident | 78.7 | Confident | 113 Ų | 113 | 86.6 Ų | 86.6 | 69% | 0.685 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58 | -34.3 | -175.2 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | R125 L126 | V122-R125 WeakPolarHBondContact O-CB 3.23Å; V122-R125 PolarHBondContact O-N 3.28Å; V122-L126 PolarHBondContact O-N 3.07Å |
| 123 | S | 79.7 | Confident | 78.9 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 56% | 0.559 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.1 | -50.8 | 177.8 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | N121 R125 L126 E127 | N121-S123 PolarHBondContact O-N 3.21Å; N121-S123 WeakPolarHBondContact OD1-CB 3.37Å; N121-S123 PolarHBondContact OD1-N 3.27Å; N121-S123 VanDerWaalsContact OD1-N 3.14Å; S123-R125 PolarHBondContact O-N 3.14Å; S123-L126 WeakPolarHBondContact O-CB 3.26Å; S123-L126 PolarHBondContact O-N 3.43Å; S123-L126 VanDerWaalsContact O-N 3.08Å; S123-E127 PolarHBondContact O-N 3.44Å |
| 124 | S | 78 | Confident | 79 | Confident | 49 Ų | 49 | 90.2 Ų | 90.2 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61 | -32.7 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | N121 S128 | N121-S124 PolarHBondContact ND2-OG 2.9Å; N121-S124 PolarHBondContact O-N 2.95Å; N121-S124 WeakPolarHBondContact OD1-CB 3.29Å; N121-S124 PolarHBondContact OD1-N 3Å; N121-S124 PolarHBondContact OD1-OG 3.44Å; N121-S124 VanDerWaalsContact OD1-OG 3.06Å; S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.28Å; S124-S128 PolarHBondContact O-OG 3.35Å |
| 125 | R | 72.5 | Confident | 79.1 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 33% | 0.328 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 173.9 | -72.1 | 175.3 | 71.5 | -170.6 | 1.2 | 111.4 | F115 Q120 N121 V122 S123 L129 | F115-R125 HydrophobicContact CD2-CB 3.93Å; F115-R125 HydrophobicContact CD2-CG 3.48Å; F115-R125 VanDerWaalsContact CD2-CG 3.48Å; F115-R125 HydrophobicContact CE2-CB 3.57Å; F115-R125 HydrophobicContact CE2-CG 3.55Å; F115-R125 HydrophobicContact CG-CG 4.46Å; F115-R125 VanDerWaalsContact CZ-CZ 3.44Å; Q120-R125 HydrophobicContact CB-CG 3.72Å; Q120-R125 WeakPolarHBondContact O-CD 3.39Å; N121-R125 VanDerWaalsContact O-CG 3.26Å; N121-R125 WeakPolarHBondContact O-CG 3.46Å; N121-R125 PolarHBondContact O-N 3.41Å; V122-R125 WeakPolarHBondContact O-CB 3.23Å; V122-R125 PolarHBondContact O-N 3.28Å; S123-R125 PolarHBondContact O-N 3.14Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.4Å; R125-L129 PolarHBondContact O-N 2.99Å; R125-L129 VanDerWaalsContact O-N 3.07Å |
| 126 | L | 80.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 90.2 Ų | 90.2 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 178.7 | -178.3 | 61.2 | 0 | 0 | 0 | 111.4 | V122 S123 L129 K130 | V122-L126 PolarHBondContact O-N 3.07Å; S123-L126 WeakPolarHBondContact O-CB 3.26Å; S123-L126 PolarHBondContact O-N 3.43Å; S123-L126 VanDerWaalsContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 2.92Å; L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.21Å |
| 127 | E | 82.3 | Confident | 79.7 | Confident | 86 Ų | 86 | 89.3 Ų | 89.3 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.6 | -68.1 | -49 | 124.9 | 0 | 0 | 112.1 | S123 L129 K130 L131 | S123-E127 PolarHBondContact O-N 3.44Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.68Å; E127-K130 PolarHBondContact O-N 3.44Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 2.79Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; E127-K130 IonicContact OE2-NZ 3.49Å; E127-L131 WeakPolarHBondContact O-CG 3.46Å; E127-L131 PolarHBondContact O-N 3.09Å |
| 128 | S | 76.4 | Confident | 79.5 | Confident | 34 Ų | 34 | 86.8 Ų | 86.8 | 24% | 0.238 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | 173.6 | -60 | 0 | 0 | 0 | 0 | 111.3 | S124 L131 L132 | S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.28Å; S124-S128 PolarHBondContact O-OG 3.35Å; S128-L131 PolarHBondContact O-N 3.31Å; S128-L132 WeakPolarHBondContact O-CB 3.48Å; S128-L132 WeakPolarHBondContact O-CG 3.44Å; S128-L132 PolarHBondContact O-N 3.42Å |
| 129 | L | 78.7 | Confident | 79.5 | Confident | 76 Ų | 76 | 85.8 Ų | 85.8 | 40% | 0.398 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 177.6 | -72.5 | 171.4 | 0 | 0 | 0 | 113.2 | F115 R125 L126 E127 L132 R133 | F115-L129 HydrophobicContact CE2-CD1 4.38Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.4Å; R125-L129 PolarHBondContact O-N 2.99Å; R125-L129 VanDerWaalsContact O-N 3.07Å; L126-L129 PolarHBondContact O-N 2.92Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.68Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.35Å |
| 130 | K | 85.9 | Confident | 79.8 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 173.9 | -73.6 | 174.8 | -178.9 | 169.8 | 0 | 111 | L126 E127 R133 S134 | L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.21Å; E127-K130 PolarHBondContact O-N 3.44Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 2.79Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; E127-K130 IonicContact OE2-NZ 3.49Å; K130-R133 PolarHBondContact O-N 3.16Å; K130-S134 PolarHBondContact O-N 2.88Å |
| 131 | L | 84.4 | Confident | 80.2 | Confident | 124 Ų | 124 | 87.1 Ų | 87.1 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 176.3 | -71.1 | 171.3 | 0 | 0 | 0 | 111.4 | E127 S128 R133 S134 L135 | E127-L131 WeakPolarHBondContact O-CG 3.46Å; E127-L131 PolarHBondContact O-N 3.09Å; S128-L131 PolarHBondContact O-N 3.31Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 2.63Å; L131-S134 WeakPolarHBondContact O-CB 3.49Å; L131-S134 PolarHBondContact O-N 3.41Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 3.32Å |
| 132 | L | 81.5 | Confident | 79.8 | Confident | 41 Ų | 41 | 88.4 Ų | 88.4 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.1 | -71.7 | 173.9 | 0 | 0 | 0 | 112.5 | I108 S128 L129 L135 A136 | I108-L132 HydrophobicContact CB-CD2 4.05Å; I108-L132 HydrophobicContact CD1-CD2 3.68Å; I108-L132 HydrophobicContact CG1-CD2 3.36Å; I108-L132 HydrophobicContact CG2-CD1 4.48Å; I108-L132 HydrophobicContact CG2-CD2 3.78Å; S128-L132 WeakPolarHBondContact O-CB 3.48Å; S128-L132 WeakPolarHBondContact O-CG 3.44Å; S128-L132 PolarHBondContact O-N 3.42Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L132-L135 PolarHBondContact O-N 2.7Å; L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 3.14Å |
| 133 | R | 83.3 | Confident | 79.4 | Confident | 156 Ų | 156 | 87.6 Ų | 87.6 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 177.3 | -174.9 | -175.8 | -63 | 155.6 | 0.5 | 111.6 | L129 K130 L131 A136 R137 | L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.35Å; K130-R133 PolarHBondContact O-N 3.16Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 2.63Å; R133-A136 PolarHBondContact O-N 3.14Å; R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.89Å; R133-R137 VanDerWaalsContact O-N 3.13Å |
| 134 | S | 85.8 | Confident | 78.4 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | K130 L131 A136 R137 T138 | K130-S134 PolarHBondContact O-N 2.88Å; L131-S134 WeakPolarHBondContact O-CB 3.49Å; L131-S134 PolarHBondContact O-N 3.41Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.41Å; S134-R137 WeakPolarHBondContact O-CB 3.33Å; S134-R137 PolarHBondContact O-N 2.93Å; S134-T138 PolarHBondContact O-N 3.27Å; S134-T138 PolarHBondContact O-OG1 3.22Å |
| 135 | L | 81.5 | Confident | 77.1 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 30% | 0.304 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 179.3 | -171 | 64.2 | 0 | 0 | 0 | 112.5 | I104 L131 L132 R137 T138 F139 | I104-L135 HydrophobicContact CD1-CD1 4.46Å; I104-L135 HydrophobicContact CD1-CD2 4.43Å; I104-L135 HydrophobicContact CG2-CD2 3.49Å; I104-L135 VanDerWaalsContact CG2-CD2 3.49Å; I104-L135 HydrophobicContact CG2-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 3.32Å; L132-L135 PolarHBondContact O-N 2.7Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 3.06Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 2.92Å; L135-F139 HydrophobicContact CD1-CD2 4.28Å; L135-F139 HydrophobicContact CD1-CE2 3.62Å; L135-F139 HydrophobicContact CD1-CZ 4.25Å; L135-F139 HydrophobicContact CD2-CE2 4.12Å; L135-F139 HydrophobicContact CG-CD2 3.96Å; L135-F139 HydrophobicContact CG-CE2 3.55Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.95Å |
| 136 | A | 80.4 | Confident | 75.7 | Confident | 46 Ų | 46 | 97.1 Ų | 97.1 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L132 R133 S134 R140 | L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 3.14Å; R133-A136 PolarHBondContact O-N 3.14Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.41Å; A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 3.44Å; A136-R140 VanDerWaalsContact O-N 3.14Å |
| 137 | R | 83.4 | Confident | 75.5 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -44.5 | 173.5 | -70.5 | 175.4 | -172.5 | 166.4 | -1 | 110.9 | R133 S134 L135 F139 R140 A141 | R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.89Å; R133-R137 VanDerWaalsContact O-N 3.13Å; S134-R137 WeakPolarHBondContact O-CB 3.33Å; S134-R137 PolarHBondContact O-N 2.93Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 3.06Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.95Å; R137-R140 PolarHBondContact O-N 3.3Å; R137-A141 PolarHBondContact O-N 3.41Å |
| 138 | T | 80.4 | Confident | 75.1 | Confident | 64 Ų | 64 | 98 Ų | 98 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 176.5 | -58 | 0 | 0 | 0 | 0 | 111.1 | S134 L135 R140 A141 F142 | S134-T138 PolarHBondContact O-N 3.27Å; S134-T138 PolarHBondContact O-OG1 3.22Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 2.92Å; T138-R140 PolarHBondContact O-N 3.46Å; T138-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 2.92Å; T138-F142 HydrophobicContact CG2-CD2 4.09Å; T138-F142 HydrophobicContact CG2-CE2 3.56Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.15Å |
| 139 | F | 76.5 | Confident | 75 | Confident | 38 Ų | 38 | 101.6 Ų | 101.6 | 17% | 0.167 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.4 | -79.6 | -56.8 | 0 | 0 | 0 | 114 | R101 I104 L135 R137 A141 F142 D143 | R101-F139 HydrophobicContact CG-CD1 4.46Å; R101-F139 HydrophobicContact CG-CE1 4.23Å; I104-F139 HydrophobicContact CD1-CE2 3.69Å; I104-F139 HydrophobicContact CD1-CZ 3.31Å; I104-F139 HydrophobicContact CG2-CE2 4Å; L135-F139 HydrophobicContact CD1-CD2 4.28Å; L135-F139 HydrophobicContact CD1-CE2 3.62Å; L135-F139 HydrophobicContact CD1-CZ 4.25Å; L135-F139 HydrophobicContact CD2-CE2 4.12Å; L135-F139 HydrophobicContact CG-CD2 3.96Å; L135-F139 HydrophobicContact CG-CE2 3.55Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.95Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.95Å; F139-A141 VanDerWaalsContact C-N 3.3Å; F139-A141 PolarHBondContact O-N 3.12Å; F139-F142 PolarHBondContact O-N 3.37Å; F139-F142 VanDerWaalsContact O-N 3.16Å; F139-D143 PolarHBondContact O-N 2.76Å; F139-D143 VanDerWaalsContact O-N 3.14Å |
| 140 | R | 79.8 | Confident | 74.8 | Confident | 187 Ų | 187 | 103.1 Ų | 103.1 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -37.3 | 175.5 | -73 | 178.2 | -172.8 | -170 | 1.4 | 112.4 | A136 R137 T138 F142 D143 T144 | A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 3.44Å; A136-R140 VanDerWaalsContact O-N 3.14Å; R137-R140 PolarHBondContact O-N 3.3Å; T138-R140 PolarHBondContact O-N 3.46Å; R140-F142 PolarHBondContact O-N 3Å; R140-D143 PolarHBondContact O-N 3.3Å; R140-D143 VanDerWaalsContact O-N 3.14Å; R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 3.47Å |
| 141 | A | 77.9 | Confident | 74.1 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.1 | -34.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R137 T138 F139 | R137-A141 PolarHBondContact O-N 3.41Å; T138-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 2.92Å; F139-A141 VanDerWaalsContact C-N 3.3Å; F139-A141 PolarHBondContact O-N 3.12Å |
| 142 | F | 70.5 | Confident | 73.4 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 55% | 0.548 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.3 | -24.3 | 174.8 | -70.7 | -66.3 | 0 | 0 | 0 | 114.4 | F97 T138 F139 R140 T144 | F97-F142 HydrophobicContact CE1-CD1 4.34Å; F97-F142 HydrophobicContact CE1-CG 4.35Å; F97-F142 HydrophobicContact CZ-CD1 4.3Å; F97-F142 HydrophobicContact CZ-CE1 4.47Å; T138-F142 HydrophobicContact CG2-CD2 4.09Å; T138-F142 HydrophobicContact CG2-CE2 3.56Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.15Å; F139-F142 PolarHBondContact O-N 3.37Å; F139-F142 VanDerWaalsContact O-N 3.16Å; R140-F142 PolarHBondContact O-N 3Å; F142-T144 VanDerWaalsContact C-N 3.34Å |
| 143 | D | 67.3 | Low | 72.9 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -84.9 | -5.3 | 178 | -76.1 | -37.3 | 0 | 0 | 0 | 113.5 | R101 F139 R140 P145 | R101-D143 IonicContact CZ-OD1 3.58Å; R101-D143 IonicContact NH1-OD1 3.93Å; R101-D143 IonicContact NH2-OD1 2.63Å; R101-D143 PolarHBondContact NH2-OD1 3.32Å; R101-D143 IonicContact NH2-OD2 3.7Å; F139-D143 PolarHBondContact O-N 2.76Å; F139-D143 VanDerWaalsContact O-N 3.14Å; R140-D143 PolarHBondContact O-N 3.3Å; R140-D143 VanDerWaalsContact O-N 3.14Å; D143-P145 VanDerWaalsContact O-CD 3.25Å; D143-P145 WeakPolarHBondContact O-CD 3.48Å |
| 144 | T | 60.1 | Low | 72.1 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -89.1 | 108.7 | 178 | -31.6 | 0 | 0 | 0 | 0 | 108.4 | R140 F142 C146 | R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 3.47Å; F142-T144 VanDerWaalsContact C-N 3.34Å; T144-C146 PolarHBondContact O-N 3.47Å |
| 145 | P | 51.2 | Low | 70.9 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 75% | 0.753 | 58% | 0.577 | S | S | * | * | trans | -64.9 | 127 | 173.5 | 27.1 | -30.9 | 0 | 0 | 0 | 108.2 | D143 | D143-P145 VanDerWaalsContact O-CD 3.25Å; D143-P145 WeakPolarHBondContact O-CD 3.48Å | ||
| 146 | C | 42.1 | Very low | 70 | Confident | 202 Ų | 202 | 109.7 Ų | 109.7 | 100% | 1.365 | 60% | 0.602 | S | S | * | * | trans | -61.5 | 0 | 163.9 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | T144 | T144-C146 PolarHBondContact O-N 3.47Š|
Retrieved 146 of 146 residues in 225.3 ms
(Link to these results)