| 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 | 83.5 | Confident | 95.2 | Very high | 238 Ų | 238 | 112.5 Ų | 112.5 | 100% | 1.172 | 54% | 0.537 | S | S | * | . | 0 | 113.8 | 0 | -70.2 | -74.3 | -164.5 | 0 | 0 | 107.8 | |||||
| 2 | E | 91.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 107.1 Ų | 107.1 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | trans | -79.7 | 129.1 | 175.3 | -174.9 | -174.7 | -151.9 | 0 | 0 | 109.8 | Q6 R7 R10 | E2-Q6 HydrophobicContact CG-CB 3.48Å; E2-Q6 VanDerWaalsContact CG-CB 3.48Å; E2-R7 HydrophobicContact CG-CB 4.28Å; E2-R7 PolarHBondContact O-NH1 3.49Å; E2-R7 VanDerWaalsContact OE1-CA 3.28Å; E2-R7 WeakPolarHBondContact OE1-CA 3.46Å; E2-R7 PolarHBondContact OE1-N 3.11Å; E2-R7 IonicContact OE2-NH1 3.15Å; E2-R10 IonicContact OE1-NE 3.8Å; E2-R10 PolarHBondContact OE1-NE 2.99Å | ||
| 3 | T | 96.5 | Very high | 95.3 | Very high | 59 Ų | 59 | 104.5 Ų | 104.5 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | trans | -67.7 | 153.7 | 177.7 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | I5 Q6 R7 | T3-I5 PolarHBondContact O-N 2.71Å; T3-I5 VanDerWaalsContact OG1-CG2 3.25Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.23Å; T3-Q6 PolarHBondContact O-N 2.95Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.45Å; T3-Q6 PolarHBondContact OG1-N 2.86Å; T3-Q6 PolarHBondContact OG1-OE1 2.89Å; T3-R7 PolarHBondContact O-N 2.92Å; T3-R7 VanDerWaalsContact O-N 3.08Å | ||
| 4 | P | 96.7 | Very high | 95.3 | Very high | 99 Ų | 99 | 103.4 Ų | 103.4 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.2 | -38.6 | 175.6 | -28.3 | 35.7 | 0 | 0 | 0 | 113.7 | R7 E8 | P4-R7 PolarHBondContact O-N 2.97Å; P4-E8 PolarHBondContact O-N 3.1Å |
| 5 | I | 95.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 106.9 Ų | 106.9 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.8 | -38.1 | 177.7 | -169.4 | 149.4 | 0 | 0 | 0 | 112.7 | T3 R7 E8 I9 | T3-I5 PolarHBondContact O-N 2.71Å; T3-I5 VanDerWaalsContact OG1-CG2 3.25Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.23Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 3.27Å; I5-E8 PolarHBondContact O-N 3.32Å; I5-I9 HydrophobicContact CG1-CD1 4.07Å; I5-I9 HydrophobicContact CG1-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.83Å |
| 6 | Q | 97.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.2 | -77 | 168.8 | -15.4 | 0 | 0 | 111.4 | E2 T3 E8 I9 R10 | E2-Q6 HydrophobicContact CG-CB 3.48Å; E2-Q6 VanDerWaalsContact CG-CB 3.48Å; T3-Q6 PolarHBondContact O-N 2.95Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.45Å; T3-Q6 PolarHBondContact OG1-N 2.86Å; T3-Q6 PolarHBondContact OG1-OE1 2.89Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.94Å; Q6-I9 PolarHBondContact O-N 3.31Å; Q6-R10 WeakPolarHBondContact O-CB 3.31Å; Q6-R10 PolarHBondContact O-N 3.19Å |
| 7 | R | 97.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 104.3 Ų | 104.3 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 178.1 | -178.9 | 166.8 | 40.9 | -101.5 | 2 | 113.1 | E2 T3 P4 I5 R11 | E2-R7 HydrophobicContact CG-CB 4.28Å; E2-R7 PolarHBondContact O-NH1 3.49Å; E2-R7 VanDerWaalsContact OE1-CA 3.28Å; E2-R7 WeakPolarHBondContact OE1-CA 3.46Å; E2-R7 PolarHBondContact OE1-N 3.11Å; E2-R7 IonicContact OE2-NH1 3.15Å; T3-R7 PolarHBondContact O-N 2.92Å; T3-R7 VanDerWaalsContact O-N 3.08Å; P4-R7 PolarHBondContact O-N 2.97Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 3.27Å; R7-R11 WeakPolarHBondContact O-CG 3.37Å; R7-R11 PolarHBondContact O-N 3.09Å |
| 8 | E | 97.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.3 | -39.3 | 175.1 | -175.4 | 162.6 | -162.9 | 0 | 0 | 112.8 | P4 I5 Q6 R11 S12 | P4-E8 PolarHBondContact O-N 3.1Å; I5-E8 PolarHBondContact O-N 3.32Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.94Å; E8-R11 PolarHBondContact O-N 3.35Å; E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.47Å; E8-S12 PolarHBondContact O-OG 3.44Å |
| 9 | I | 96.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 172.8 | -68.7 | 167 | 0 | 0 | 0 | 109.8 | I5 Q6 R11 S12 C13 | I5-I9 HydrophobicContact CG1-CD1 4.07Å; I5-I9 HydrophobicContact CG1-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.83Å; Q6-I9 PolarHBondContact O-N 3.31Å; I9-R11 PolarHBondContact O-N 2.84Å; I9-S12 PolarHBondContact O-N 3Å; I9-C13 PolarHBondContact O-N 2.95Å; I9-C13 PolarHBondContact O-SG 3.36Å |
| 10 | R | 96.7 | Very high | 94.9 | Very high | 112 Ų | 112 | 101.2 Ų | 101.2 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 177.7 | -175.1 | 178.4 | 63.1 | 87.6 | -6.1 | 111.8 | E2 Q6 S12 C13 E14 | E2-R10 IonicContact OE1-NE 3.8Å; E2-R10 PolarHBondContact OE1-NE 2.99Å; Q6-R10 WeakPolarHBondContact O-CB 3.31Å; Q6-R10 PolarHBondContact O-N 3.19Å; R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 3.46Å; R10-C13 PolarHBondContact O-N 3.48Å; R10-E14 WeakPolarHBondContact CG-OE1 3.49Å; R10-E14 IonicContact CZ-OE1 3.93Å; R10-E14 IonicContact NH1-OE1 2.7Å; R10-E14 PolarHBondContact NH1-OE1 3.33Å; R10-E14 IonicContact NH1-OE2 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.45Å; R10-E14 PolarHBondContact O-N 3.09Å |
| 11 | R | 97.2 | Very high | 94.7 | Very high | 131 Ų | 131 | 103 Ų | 103 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 176.4 | -78.7 | -165 | -94.8 | -154.5 | 0.6 | 112.8 | R7 E8 I9 R15 | R7-R11 WeakPolarHBondContact O-CG 3.37Å; R7-R11 PolarHBondContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.35Å; I9-R11 PolarHBondContact O-N 2.84Å; R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.32Å |
| 12 | S | 96.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 96.1 Ų | 96.1 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | E8 I9 R10 R15 E16 | E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.47Å; E8-S12 PolarHBondContact O-OG 3.44Å; I9-S12 PolarHBondContact O-N 3Å; R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 3.46Å; S12-R15 PolarHBondContact O-N 3.48Å; S12-R15 PolarHBondContact OG-NH2 3.31Å; S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 PolarHBondContact O-N 3.27Å |
| 13 | C | 95.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 100.3 Ų | 100.3 | 49% | 0.493 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.3 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | I9 R10 R15 E16 E17 | I9-C13 PolarHBondContact O-N 2.95Å; I9-C13 PolarHBondContact O-SG 3.36Å; R10-C13 PolarHBondContact O-N 3.48Å; C13-R15 PolarHBondContact O-N 2.87Å; C13-E16 PolarHBondContact O-N 2.96Å; C13-E17 WeakPolarHBondContact O-CB 3.42Å; C13-E17 PolarHBondContact O-N 3.44Å |
| 14 | E | 95.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 100.6 Ų | 100.6 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.6 | -72.9 | 167.2 | -175.3 | 0 | 0 | 112.2 | R10 S18 | R10-E14 WeakPolarHBondContact CG-OE1 3.49Å; R10-E14 IonicContact CZ-OE1 3.93Å; R10-E14 IonicContact NH1-OE1 2.7Å; R10-E14 PolarHBondContact NH1-OE1 3.33Å; R10-E14 IonicContact NH1-OE2 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.45Å; R10-E14 PolarHBondContact O-N 3.09Å; E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 3.25Å |
| 15 | R | 96.9 | Very high | 94.1 | Very high | 156 Ų | 156 | 100.6 Ų | 100.6 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 174.9 | -74.8 | -173.2 | -59.9 | -127.2 | 0.6 | 112.3 | R11 S12 C13 E17 S18 L19 | R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.32Å; S12-R15 PolarHBondContact O-N 3.48Å; S12-R15 PolarHBondContact OG-NH2 3.31Å; C13-R15 PolarHBondContact O-N 2.87Å; R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 PolarHBondContact O-N 2.89Å; R15-S18 PolarHBondContact O-N 3.19Å; R15-L19 PolarHBondContact O-N 2.8Å |
| 16 | E | 94.5 | Very high | 92.9 | Very high | 82 Ų | 82 | 98.5 Ų | 98.5 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 178.1 | 175.8 | 59.2 | -156.8 | 0 | 0 | 111 | S12 C13 S18 L19 R20 | S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 PolarHBondContact O-N 3.27Å; C13-E16 PolarHBondContact O-N 2.96Å; E16-S18 PolarHBondContact O-N 2.68Å; E16-L19 WeakPolarHBondContact O-CB 3.4Å; E16-L19 PolarHBondContact O-N 2.97Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.25Å; E16-R20 IonicContact OE1-CZ 3.72Å; E16-R20 IonicContact OE1-NE 3.44Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 2.67Å |
| 17 | E | 92.7 | Very high | 91.6 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.4 | -158 | -167 | 154.2 | 0 | 0 | 111.5 | C13 R15 L19 R20 R21 | C13-E17 WeakPolarHBondContact O-CB 3.42Å; C13-E17 PolarHBondContact O-N 3.44Å; R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 PolarHBondContact O-N 2.89Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.77Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE1-CZ 3.39Å; E17-R21 IonicContact OE1-NE 2.71Å; E17-R21 PolarHBondContact OE1-NE 3.12Å; E17-R21 IonicContact OE1-NH2 3.81Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å; E17-R21 IonicContact OE2-NH2 2.94Å; E17-R21 PolarHBondContact OE2-NH2 3.23Å |
| 18 | S | 93.1 | Very high | 90.1 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.5 | -157.6 | 0 | 0 | 0 | 0 | 112 | E14 R15 E16 R21 S22 | E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 3.25Å; R15-S18 PolarHBondContact O-N 3.19Å; E16-S18 PolarHBondContact O-N 2.68Å; S18-R21 PolarHBondContact O-N 3.35Å; S18-S22 PolarHBondContact O-N 3.3Å |
| 19 | L | 94.8 | Very high | 88.3 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.4 | -173.5 | 63.2 | 0 | 0 | 0 | 111.5 | R15 E16 E17 S22 R23 | R15-L19 PolarHBondContact O-N 2.8Å; E16-L19 WeakPolarHBondContact O-CB 3.4Å; E16-L19 PolarHBondContact O-N 2.97Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-S22 PolarHBondContact O-OG 3.06Å; L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.45Å |
| 20 | R | 91.3 | Very high | 86.5 | Confident | 117 Ų | 117 | 97.9 Ų | 97.9 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 175 | -74.5 | 178.2 | 177 | -149.3 | -3.3 | 111.9 | E16 E17 S22 R23 G24 L25 | E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.25Å; E16-R20 IonicContact OE1-CZ 3.72Å; E16-R20 IonicContact OE1-NE 3.44Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 2.67Å; E17-R20 PolarHBondContact O-N 2.87Å; R20-S22 PolarHBondContact O-N 3.39Å; R20-R23 CarbonylContact O-C 3.55Å; R20-R23 PolarHBondContact O-N 2.98Å; R20-R23 VanDerWaalsContact O-N 3.16Å; R20-G24 PolarHBondContact O-N 2.91Å; R20-L25 HydrophobicContact CB-CB 4.17Å; R20-L25 HydrophobicContact CG-CB 4.47Å; R20-L25 PolarHBondContact O-N 2.99Å |
| 21 | R | 90.9 | Very high | 84.7 | Confident | 141 Ų | 141 | 95.4 Ų | 95.4 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.8 | -71 | -172.9 | -135 | 108.2 | -6.6 | 111.9 | E17 S18 R23 G24 | E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE1-CZ 3.39Å; E17-R21 IonicContact OE1-NE 2.71Å; E17-R21 PolarHBondContact OE1-NE 3.12Å; E17-R21 IonicContact OE1-NH2 3.81Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å; E17-R21 IonicContact OE2-NH2 2.94Å; E17-R21 PolarHBondContact OE2-NH2 3.23Å; S18-R21 PolarHBondContact O-N 3.35Å; R21-R23 PolarHBondContact O-N 3.09Å; R21-G24 PolarHBondContact O-N 3.45Å |
| 22 | S | 91.4 | Very high | 83 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -26.5 | 177.5 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | S18 L19 R20 | S18-S22 PolarHBondContact O-N 3.3Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-S22 PolarHBondContact O-OG 3.06Å; R20-S22 PolarHBondContact O-N 3.39Å |
| 23 | R | 93 | Very high | 81.3 | Confident | 162 Ų | 162 | 100.3 Ų | 100.3 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1 | 176.6 | -68.5 | 174.7 | 176.4 | 176.1 | -1.2 | 113.5 | L19 R20 R21 L25 | L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.45Å; R20-R23 CarbonylContact O-C 3.55Å; R20-R23 PolarHBondContact O-N 2.98Å; R20-R23 VanDerWaalsContact O-N 3.16Å; R21-R23 PolarHBondContact O-N 3.09Å; R23-L25 HydrophobicContact CB-CD1 4.22Å; R23-L25 HydrophobicContact CB-CG 4.05Å; R23-L25 PolarHBondContact O-N 3.26Å |
| 24 | G | 87.6 | Confident | 80.3 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 66% | 0.66 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 14.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R20 R21 S26 | R20-G24 PolarHBondContact O-N 2.91Å; R21-G24 PolarHBondContact O-N 3.45Å; G24-S26 PolarHBondContact O-N 3.2Å; G24-S26 VanDerWaalsContact O-N 3.12Å |
| 25 | L | 82.6 | Confident | 79.2 | Confident | 99 Ų | 99 | 106.9 Ų | 106.9 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | trans | -82.4 | 89.8 | 176.5 | -60.8 | 177.1 | 0 | 0 | 0 | 108.5 | R20 R23 | R20-L25 HydrophobicContact CB-CB 4.17Å; R20-L25 HydrophobicContact CG-CB 4.47Å; R20-L25 PolarHBondContact O-N 2.99Å; R23-L25 HydrophobicContact CB-CD1 4.22Å; R23-L25 HydrophobicContact CB-CG 4.05Å; R23-L25 PolarHBondContact O-N 3.26Å | ||
| 26 | S | 71.5 | Confident | 78.2 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | trans | -68 | 136 | 176.1 | 59 | 0 | 0 | 0 | 0 | 110.6 | G24 G28 | G24-S26 PolarHBondContact O-N 3.2Å; G24-S26 VanDerWaalsContact O-N 3.12Å; S26-G28 PolarHBondContact O-N 3.24Å | ||
| 27 | P | 70.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 110 Ų | 110 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -19.5 | 179 | 25.3 | -32.9 | 0 | 0 | 0 | 112.6 | ||
| 28 | G | 65.7 | Low | 76.4 | Confident | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -19.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S26 | S26-G28 PolarHBondContact O-N 3.24Š|
| 29 | R | 59.8 | Low | 75.5 | Confident | 151 Ų | 151 | 118.9 Ų | 118.9 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -24.1 | -175.8 | -145.7 | 177.3 | -158.3 | -111.4 | -0.5 | 114.5 | G31 E32 E33 | R29-G31 PolarHBondContact O-N 3.41Å; R29-G31 VanDerWaalsContact O-N 3.13Å; R29-E32 PolarHBondContact O-N 3.37Å; R29-E33 IonicContact CZ-OE1 3.7Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 IonicContact NH1-OE1 2.72Å; R29-E33 PolarHBondContact NH1-OE1 3.18Å; R29-E33 IonicContact NH1-OE2 3.67Å; R29-E33 PolarHBondContact NH1-OE2 3.17Å; R29-E33 PolarHBondContact O-N 2.97Å |
| 30 | A | 58 | Low | 74.2 | Confident | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -17.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 31 | G | 60.5 | Low | 73.2 | Confident | 61 Ų | 61 | 124.8 Ų | 124.8 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -23 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | R29 | R29-G31 PolarHBondContact O-N 3.41Å; R29-G31 VanDerWaalsContact O-N 3.13Å |
| 32 | E | 61.3 | Low | 72 | Confident | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -25.3 | -173 | -60.7 | -173.9 | 176.5 | 0 | 0 | 112.2 | R29 L34 | R29-E32 PolarHBondContact O-N 3.37Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.11Å; E32-L34 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 60.7 | Low | 70.8 | Confident | 111 Ų | 111 | 128.1 Ų | 128.1 | 52% | 0.519 | 69% | 0.688 | S | S | . | * | trans | -91.9 | 67.6 | -179.3 | -147.9 | 165.2 | -150.2 | 0 | 0 | 110.8 | R29 I35 | R29-E33 IonicContact CZ-OE1 3.7Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 IonicContact NH1-OE1 2.72Å; R29-E33 PolarHBondContact NH1-OE1 3.18Å; R29-E33 IonicContact NH1-OE2 3.67Å; R29-E33 PolarHBondContact NH1-OE2 3.17Å; R29-E33 PolarHBondContact O-N 2.97Å; E33-I35 PolarHBondContact O-N 2.75Å | ||
| 34 | L | 73.2 | Confident | 69 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -69.4 | 94.6 | 167.1 | -72.7 | 155.3 | 0 | 0 | 0 | 108.5 | E32 | E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.11Å; E32-L34 VanDerWaalsContact O-N 3.13Å | ||
| 35 | I | 73.5 | Confident | 67.6 | Low | 134 Ų | 134 | 131.4 Ų | 131.4 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | trans | -77.6 | 122.1 | 168.4 | 38 | 168.6 | 0 | 0 | 0 | 109.9 | E33 L37 | E33-I35 PolarHBondContact O-N 2.75Å; I35-L37 PolarHBondContact O-N 3.26Å | ||
| 36 | E | 75.5 | Confident | 66.5 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | -68.5 | 95.6 | 170.2 | -169.9 | -177.1 | 178.6 | 0 | 0 | 108.9 | R38 | E36-R38 PolarHBondContact O-N 2.93Š| ||
| 37 | L | 75.1 | Confident | 65.5 | Low | 132 Ų | 132 | 132.3 Ų | 132.3 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 107.1 | 169.6 | -71.9 | 171.6 | 0 | 0 | 0 | 108 | I35 V39 | I35-L37 PolarHBondContact O-N 3.26Å; L37-V39 HydrophobicContact CB-CG2 4Å; L37-V39 WeakPolarHBondContact O-CG2 3.44Å; L37-V39 PolarHBondContact O-N 3.47Å | ||
| 38 | R | 75.4 | Confident | 64.6 | Low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | -67.9 | 75.6 | 165.6 | -69.8 | -172.8 | 176.5 | 178 | 0.6 | 109.3 | E36 R40 | E36-R38 PolarHBondContact O-N 2.93Å; R38-R40 PolarHBondContact O-N 2.87Å | ||
| 39 | V | 72.9 | Confident | 64.1 | Low | 110 Ų | 110 | 133.6 Ų | 133.6 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | trans | -72.7 | 116.7 | 171.4 | -148.1 | 0 | 0 | 0 | 0 | 106.3 | L37 P41 | L37-V39 HydrophobicContact CB-CG2 4Å; L37-V39 WeakPolarHBondContact O-CG2 3.44Å; L37-V39 PolarHBondContact O-N 3.47Å; V39-P41 WeakPolarHBondContact O-CD 3.36Å; V39-P41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | R | 68.3 | Low | 64 | Low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -58.8 | 121.1 | 163.9 | -69.7 | -175.6 | 100.7 | 171.4 | 7.3 | 105.4 | R38 V42 | R38-R40 PolarHBondContact O-N 2.87Å; R40-V42 PolarHBondContact O-N 3.31Å | ||
| 41 | P | 69.5 | Low | 64 | Low | 85 Ų | 85 | 134.3 Ų | 134.3 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | trans | -70.3 | 106.7 | -175.4 | -1 | 14.9 | 0 | 0 | 0 | 106.4 | V39 L43 S44 | V39-P41 WeakPolarHBondContact O-CD 3.36Å; V39-P41 VanDerWaalsContact O-N 3.14Å; P41-L43 PolarHBondContact O-N 3Å; P41-S44 WeakPolarHBondContact CB-OG 3.24Å; P41-S44 WeakPolarHBondContact CD-OG 3.41Å; P41-S44 WeakPolarHBondContact CG-OG 3.16Å; P41-S44 PolarHBondContact O-N 3.38Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.43Å; P41-S44 VanDerWaalsContact O-OG 3.05Å | ||
| 42 | V | 67.1 | Low | 64 | Low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15.3 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | R40 | R40-V42 PolarHBondContact O-N 3.31Š|
| 43 | L | 64.2 | Low | 64.5 | Low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 3.9 | -179.1 | -57.8 | 177 | 0 | 0 | 0 | 114.8 | P41 R45 | P41-L43 PolarHBondContact O-N 3Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-R45 VanDerWaalsContact O-N 3.12Å |
| 44 | S | 56.3 | Low | 65.2 | Low | 69 Ų | 69 | 136.6 Ų | 136.6 | 48% | 0.483 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -78.4 | 104.7 | 168.6 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | P41 | P41-S44 WeakPolarHBondContact CB-OG 3.24Å; P41-S44 WeakPolarHBondContact CD-OG 3.41Å; P41-S44 WeakPolarHBondContact CG-OG 3.16Å; P41-S44 PolarHBondContact O-N 3.38Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.43Å; P41-S44 VanDerWaalsContact O-OG 3.05Å |
| 45 | R | 58.8 | Low | 65.5 | Low | 225 Ų | 225 | 132.3 Ų | 132.3 | 85% | 0.849 | 72% | 0.723 | S | S | * | * | trans | 34.1 | 121.3 | 150.2 | -137.6 | 150.6 | 76.5 | 174.7 | 6.4 | 114.9 | L43 G47 | L43-R45 PolarHBondContact O-N 2.9Å; L43-R45 VanDerWaalsContact O-N 3.12Å; R45-G47 PolarHBondContact O-N 2.82Å | ||
| 46 | P | 58.3 | Low | 65.9 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | trans | -47.2 | 118.5 | 178.7 | 22.5 | -32.2 | 0 | 0 | 0 | 107.4 | S48 | P46-S48 PolarHBondContact O-N 2.89Š| ||
| 47 | G | 50.5 | Low | 66.2 | Low | 66 Ų | 66 | 127.3 Ų | 127.3 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | trans | -46.3 | 138.1 | 177 | 0 | 0 | 0 | 0 | 0 | 106.7 | R45 G49 | R45-G47 PolarHBondContact O-N 2.82Å; G47-G49 PolarHBondContact O-N 3.46Å | ||
| 48 | S | 51.3 | Low | 66.9 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | trans | -63 | 59.3 | 174.6 | 54 | 0 | 0 | 0 | 0 | 110.4 | P46 | P46-S48 PolarHBondContact O-N 2.89Š| ||
| 49 | G | 54.9 | Low | 67.6 | Low | 60 Ų | 60 | 122.7 Ų | 122.7 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | trans | -74.9 | 119.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | G47 P51 | G47-G49 PolarHBondContact O-N 3.46Å; G49-P51 VanDerWaalsContact O-N 3.14Å | ||
| 50 | T | 58.4 | Low | 68.5 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | trans | -40.5 | 124.5 | 165.5 | 30.1 | 0 | 0 | 0 | 0 | 107.8 | L52 | T50-L52 PolarHBondContact O-N 2.97Š| ||
| 51 | P | 58 | Low | 69.6 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | -56.8 | 109.7 | 175.4 | 23.1 | -30.9 | 0 | 0 | 0 | 105.7 | G49 | G49-P51 VanDerWaalsContact O-N 3.14Š| ||
| 52 | L | 60.1 | Low | 70.8 | Confident | 90 Ų | 90 | 114.6 Ų | 114.6 | 47% | 0.471 | 65% | 0.654 | S | S | . | * | trans | -49.1 | 130.3 | 166.7 | -85.5 | 155.2 | 0 | 0 | 0 | 104.9 | T50 R54 L56 | T50-L52 PolarHBondContact O-N 2.97Å; L52-R54 PolarHBondContact O-N 3.23Å; L52-R54 VanDerWaalsContact O-N 3.08Å; L52-L56 HydrophobicContact CD2-CD2 3.42Å; L52-L56 VanDerWaalsContact CD2-CD2 3.42Å; L52-L56 HydrophobicContact CD2-CG 4.29Å | ||
| 53 | P | 72.8 | Confident | 72.2 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | trans | -48.2 | 128 | -177.8 | -26.1 | 32.1 | 0 | 0 | 0 | 107.6 | A55 L56 E57 | P53-A55 CarbonylContact O-C 3.51Å; P53-A55 PolarHBondContact O-N 3.45Å; P53-L56 WeakPolarHBondContact O-CB 3.48Å; P53-L56 PolarHBondContact O-N 3.12Å; P53-E57 PolarHBondContact O-N 3.23Å | ||
| 54 | R | 75 | Confident | 73.7 | Confident | 215 Ų | 215 | 108.6 Ų | 108.6 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -47.7 | -28.4 | -177.3 | -72.7 | -178.5 | 176.1 | 159.6 | -1.3 | 112.1 | L52 E57 R58 | L52-R54 PolarHBondContact O-N 3.23Å; L52-R54 VanDerWaalsContact O-N 3.08Å; R54-E57 PolarHBondContact O-N 3.37Å; R54-R58 VanDerWaalsContact O-CB 3.28Å; R54-R58 WeakPolarHBondContact O-CB 3.24Å; R54-R58 PolarHBondContact O-N 3.37Å |
| 55 | A | 79.2 | Confident | 75.6 | Confident | 74 Ų | 74 | 110.8 Ų | 110.8 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.7 | -45.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P53 R58 A59 | P53-A55 CarbonylContact O-C 3.51Å; P53-A55 PolarHBondContact O-N 3.45Å; A55-R58 PolarHBondContact O-N 3.46Å; A55-A59 VanDerWaalsContact O-CB 3.27Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.46Å |
| 56 | L | 82.1 | Confident | 77.5 | Confident | 72 Ų | 72 | 104.5 Ų | 104.5 | 38% | 0.377 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.7 | -37.3 | 179.7 | -176.6 | 54.4 | 0 | 0 | 0 | 112.1 | L52 P53 A59 R60 | L52-L56 HydrophobicContact CD2-CD2 3.42Å; L52-L56 VanDerWaalsContact CD2-CD2 3.42Å; L52-L56 HydrophobicContact CD2-CG 4.29Å; P53-L56 WeakPolarHBondContact O-CB 3.48Å; P53-L56 PolarHBondContact O-N 3.12Å; L56-A59 PolarHBondContact O-N 3.48Å; L56-R60 WeakPolarHBondContact O-CG 3.36Å; L56-R60 PolarHBondContact O-N 3.11Å |
| 57 | E | 82.3 | Confident | 79.4 | Confident | 131 Ų | 131 | 106.9 Ų | 106.9 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.6 | -45.9 | 172.8 | -172 | -178.9 | -178.7 | 0 | 0 | 111 | P53 R54 A59 R60 A61 | P53-E57 PolarHBondContact O-N 3.23Å; R54-E57 PolarHBondContact O-N 3.37Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.15Å; E57-R60 PolarHBondContact O-N 2.8Å; E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.48Å |
| 58 | R | 88.5 | Confident | 81.6 | Confident | 204 Ų | 204 | 106.8 Ų | 106.8 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.9 | -38.5 | 176.1 | -161.7 | -178.9 | -166.7 | 118.3 | -0.3 | 112 | R54 A55 A61 G62 | R54-R58 VanDerWaalsContact O-CB 3.28Å; R54-R58 WeakPolarHBondContact O-CB 3.24Å; R54-R58 PolarHBondContact O-N 3.37Å; A55-R58 PolarHBondContact O-N 3.46Å; R58-A61 PolarHBondContact O-N 2.91Å; R58-G62 PolarHBondContact O-N 3.48Å |
| 59 | A | 90.4 | Very high | 83.8 | Confident | 60 Ų | 60 | 104.9 Ų | 104.9 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.1 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A55 L56 E57 G62 A63 | A55-A59 VanDerWaalsContact O-CB 3.27Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 3.48Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.15Å; A59-G62 PolarHBondContact O-N 3.45Å; A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 2.83Å |
| 60 | R | 91.7 | Very high | 85.8 | Confident | 155 Ų | 155 | 107.3 Ų | 107.3 | 59% | 0.585 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.8 | -45 | 175.2 | -73.3 | 177.3 | -175.5 | -173.1 | 1.9 | 112.1 | L56 E57 A63 K64 | L56-R60 WeakPolarHBondContact O-CG 3.36Å; L56-R60 PolarHBondContact O-N 3.11Å; E57-R60 PolarHBondContact O-N 2.8Å; R60-A63 PolarHBondContact O-N 3.43Å; R60-K64 PolarHBondContact O-N 2.85Å |
| 61 | A | 92 | Very high | 87.6 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E57 R58 K64 M65 | E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.48Å; R58-A61 PolarHBondContact O-N 2.91Å; A61-K64 PolarHBondContact O-N 3.12Å; A61-M65 WeakPolarHBondContact O-CB 3.27Å; A61-M65 PolarHBondContact O-N 2.71Å |
| 62 | G | 94.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 107.2 Ų | 107.2 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R58 A59 K64 M65 Q66 | R58-G62 PolarHBondContact O-N 3.48Å; A59-G62 PolarHBondContact O-N 3.45Å; G62-K64 VanDerWaalsContact C-N 3.34Å; G62-K64 PolarHBondContact O-N 3.32Å; G62-M65 PolarHBondContact O-N 3.46Å; G62-Q66 WeakPolarHBondContact O-CB 3.5Å; G62-Q66 PolarHBondContact O-N 2.7Å |
| 63 | A | 95.7 | Very high | 91.2 | Very high | 50 Ų | 50 | 105.6 Ų | 105.6 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 R60 R67 | A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 2.83Å; R60-A63 PolarHBondContact O-N 3.43Å; A63-R67 WeakPolarHBondContact O-CG 3.47Å; A63-R67 PolarHBondContact O-N 3.24Å |
| 64 | K | 96.7 | Very high | 92.3 | Very high | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -48.9 | 173.3 | -175.4 | -175.2 | 178.2 | -63.8 | 0 | 111 | R60 A61 G62 Q66 R67 D68 | R60-K64 PolarHBondContact O-N 2.85Å; A61-K64 PolarHBondContact O-N 3.12Å; G62-K64 VanDerWaalsContact C-N 3.34Å; G62-K64 PolarHBondContact O-N 3.32Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 2.72Å; K64-R67 PolarHBondContact O-N 3.3Å; K64-D68 IonicContact NZ-OD2 3.67Å; K64-D68 PolarHBondContact NZ-OD2 3.04Å; K64-D68 PolarHBondContact O-N 3.29Å; K64-D68 VanDerWaalsContact O-N 3.09Å |
| 65 | M | 97.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | -179.8 | -171.9 | 177.4 | 71.1 | 0 | 0 | 111.8 | A61 G62 R67 D68 I69 | A61-M65 WeakPolarHBondContact O-CB 3.27Å; A61-M65 PolarHBondContact O-N 2.71Å; G62-M65 PolarHBondContact O-N 3.46Å; M65-R67 PolarHBondContact O-N 3.05Å; M65-D68 WeakPolarHBondContact O-CB 3.44Å; M65-D68 PolarHBondContact O-N 2.64Å; M65-D68 VanDerWaalsContact O-N 3.12Å; M65-I69 HydrophobicContact CG-CD1 4.2Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.19Å |
| 66 | Q | 97.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 105.5 Ų | 105.5 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.1 | -175 | 58.7 | 34.2 | 0 | 0 | 112.2 | G62 K64 D68 I69 E70 | G62-Q66 WeakPolarHBondContact O-CB 3.5Å; G62-Q66 PolarHBondContact O-N 2.7Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 2.72Å; Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 PolarHBondContact O-N 2.88Å; Q66-I69 PolarHBondContact O-N 2.92Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.42Å; Q66-E70 PolarHBondContact O-N 3.49Å |
| 67 | R | 97.7 | Very high | 94.3 | Very high | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -36.6 | 174.3 | -68.5 | 172.7 | -179.4 | -173.3 | -0.6 | 112.3 | A63 K64 M65 R71 | A63-R67 WeakPolarHBondContact O-CG 3.47Å; A63-R67 PolarHBondContact O-N 3.24Å; K64-R67 PolarHBondContact O-N 3.3Å; M65-R67 PolarHBondContact O-N 3.05Å; R67-R71 WeakPolarHBondContact O-CB 3.34Å; R67-R71 PolarHBondContact O-N 3.25Å |
| 68 | D | 97.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 101.9 Ų | 101.9 | 35% | 0.348 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 178.2 | -66.8 | -20.8 | 0 | 0 | 0 | 110.7 | K64 M65 Q66 R71 E72 | K64-D68 IonicContact NZ-OD2 3.67Å; K64-D68 PolarHBondContact NZ-OD2 3.04Å; K64-D68 PolarHBondContact O-N 3.29Å; K64-D68 VanDerWaalsContact O-N 3.09Å; M65-D68 WeakPolarHBondContact O-CB 3.44Å; M65-D68 PolarHBondContact O-N 2.64Å; M65-D68 VanDerWaalsContact O-N 3.12Å; Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 PolarHBondContact O-N 2.88Å; D68-R71 PolarHBondContact O-N 3.08Å; D68-E72 WeakPolarHBondContact O-CB 3.28Å; D68-E72 PolarHBondContact O-N 3.05Å |
| 69 | I | 96.7 | Very high | 94.4 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 173.8 | -67.9 | 165.3 | 0 | 0 | 0 | 111.2 | M65 Q66 R71 E72 A73 | M65-I69 HydrophobicContact CG-CD1 4.2Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.19Å; Q66-I69 PolarHBondContact O-N 2.92Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.37Å; I69-E72 PolarHBondContact O-N 3.16Å; I69-A73 WeakPolarHBondContact O-CB 3.5Å; I69-A73 PolarHBondContact O-N 2.7Å |
| 70 | E | 97.3 | Very high | 94 | Very high | 110 Ų | 110 | 99.4 Ų | 99.4 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 179.4 | -74 | 165.2 | -165.9 | 0 | 0 | 112 | Q66 A73 H74 | Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.42Å; Q66-E70 PolarHBondContact O-N 3.49Å; E70-A73 PolarHBondContact O-N 3.17Å; E70-H74 PolarHBondContact O-N 3.03Å |
| 71 | R | 97.5 | Very high | 92.7 | Very high | 181 Ų | 181 | 95.7 Ų | 95.7 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 175.2 | -172.2 | -171.4 | -53.4 | -122.7 | -2.7 | 111.9 | R67 D68 I69 R75 | R67-R71 WeakPolarHBondContact O-CB 3.34Å; R67-R71 PolarHBondContact O-N 3.25Å; D68-R71 PolarHBondContact O-N 3.08Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.37Å; R71-R75 PolarHBondContact O-N 2.89Å; R71-R75 VanDerWaalsContact O-N 3.09Å |
| 72 | E | 96.2 | Very high | 91.2 | Very high | 65 Ų | 65 | 97.8 Ų | 97.8 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 173.9 | 174.9 | 61.1 | 105.2 | 0 | 0 | 111 | D68 I69 H74 R75 Q76 | D68-E72 WeakPolarHBondContact O-CB 3.28Å; D68-E72 PolarHBondContact O-N 3.05Å; I69-E72 PolarHBondContact O-N 3.16Å; E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-N 3.34Å; E72-R75 WeakPolarHBondContact O-CA 3.08Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.05Å; E72-R75 IonicContact OE1-NH1 2.68Å; E72-R75 PolarHBondContact OE1-NH1 3.05Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.98Å; E72-R75 IonicContact OE2-CZ 2.7Å; E72-R75 IonicContact OE2-NE 3.25Å; E72-R75 PolarHBondContact OE2-NE 2.84Å; E72-R75 IonicContact OE2-NH1 2.8Å; E72-R75 PolarHBondContact OE2-NH1 3.13Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; E72-Q76 HydrophobicContact CG-CG 4.38Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.3Å; E72-Q76 PolarHBondContact OE2-NE2 2.98Å |
| 73 | A | 96.2 | Very high | 89.4 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.6 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I69 E70 R75 Q76 A77 | I69-A73 WeakPolarHBondContact O-CB 3.5Å; I69-A73 PolarHBondContact O-N 2.7Å; E70-A73 PolarHBondContact O-N 3.17Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.13Å; A73-Q76 PolarHBondContact O-N 3.39Å; A73-A77 WeakPolarHBondContact O-CB 3.11Å; A73-A77 PolarHBondContact O-N 2.89Å |
| 74 | H | 95.4 | Very high | 87.8 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 67% | 0.671 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -39.6 | 174.3 | -174.8 | -73.8 | 0 | 0 | 0 | 112.2 | E70 E72 A77 A78 | E70-H74 PolarHBondContact O-N 3.03Å; E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-N 3.34Å; H74-A77 PolarHBondContact O-N 3.13Å; H74-A78 WeakPolarHBondContact O-CB 3.35Å; H74-A78 PolarHBondContact O-N 3.3Å |
| 75 | R | 94.3 | Very high | 85.9 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -47 | 175.6 | -162.6 | -152.8 | -42.3 | 142.7 | 11.8 | 111.2 | R71 E72 A73 A77 A78 L79 | R71-R75 PolarHBondContact O-N 2.89Å; R71-R75 VanDerWaalsContact O-N 3.09Å; E72-R75 WeakPolarHBondContact O-CA 3.08Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.05Å; E72-R75 IonicContact OE1-NH1 2.68Å; E72-R75 PolarHBondContact OE1-NH1 3.05Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.98Å; E72-R75 IonicContact OE2-CZ 2.7Å; E72-R75 IonicContact OE2-NE 3.25Å; E72-R75 PolarHBondContact OE2-NE 2.84Å; E72-R75 IonicContact OE2-NH1 2.8Å; E72-R75 PolarHBondContact OE2-NH1 3.13Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.34Å; R75-A77 PolarHBondContact O-N 2.95Å; R75-A78 PolarHBondContact O-N 2.77Å; R75-L79 WeakPolarHBondContact O-CG 3.37Å; R75-L79 PolarHBondContact O-N 3.04Å; R75-L79 VanDerWaalsContact O-N 3.1Å |
| 76 | Q | 93 | Very high | 84 | Confident | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.8 | -42.9 | 176.4 | -64.4 | -64.7 | -54.2 | 0 | 0 | 111.2 | E72 A73 A78 L79 A80 | E72-Q76 HydrophobicContact CG-CG 4.38Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.3Å; E72-Q76 PolarHBondContact OE2-NE2 2.98Å; A73-Q76 PolarHBondContact O-N 3.39Å; Q76-A78 PolarHBondContact O-N 3.5Å; Q76-L79 PolarHBondContact O-N 3.3Å; Q76-A80 VanDerWaalsContact O-CB 3.31Å; Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 2.86Å |
| 77 | A | 91.3 | Very high | 82 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A73 H74 R75 L79 A80 S81 | A73-A77 WeakPolarHBondContact O-CB 3.11Å; A73-A77 PolarHBondContact O-N 2.89Å; H74-A77 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.34Å; R75-A77 PolarHBondContact O-N 2.95Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 3.48Å; A77-A80 PolarHBondContact O-N 3.26Å; A77-S81 PolarHBondContact O-N 2.94Å |
| 78 | A | 88.5 | Confident | 79.6 | Confident | 66 Ų | 66 | 103.6 Ų | 103.6 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -32.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H74 R75 Q76 | H74-A78 WeakPolarHBondContact O-CB 3.35Å; H74-A78 PolarHBondContact O-N 3.3Å; R75-A78 PolarHBondContact O-N 2.77Å; Q76-A78 PolarHBondContact O-N 3.5Å |
| 79 | L | 85.8 | Confident | 77.1 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.8 | -34.5 | 174.9 | -67.7 | 171.8 | 0 | 0 | 0 | 112.8 | R75 Q76 A77 | R75-L79 WeakPolarHBondContact O-CG 3.37Å; R75-L79 PolarHBondContact O-N 3.04Å; R75-L79 VanDerWaalsContact O-N 3.1Å; Q76-L79 PolarHBondContact O-N 3.3Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 3.48Å |
| 80 | A | 82.4 | Confident | 75 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 66% | 0.661 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.7 | -23.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q76 A77 P82 | Q76-A80 VanDerWaalsContact O-CB 3.31Å; Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 2.86Å; A77-A80 PolarHBondContact O-N 3.26Å; A80-P82 VanDerWaalsContact O-CD 3.23Å; A80-P82 WeakPolarHBondContact O-CD 3.39Å; A80-P82 VanDerWaalsContact O-N 3.12Å |
| 81 | S | 64.1 | Low | 72.6 | Confident | 77 Ų | 77 | 118.7 Ų | 118.7 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -62.5 | 113.8 | 170.2 | -161.6 | 0 | 0 | 0 | 0 | 107.4 | A77 A83 | A77-S81 PolarHBondContact O-N 2.94Å; S81-A83 PolarHBondContact O-N 2.94Å |
| 82 | P | 59.4 | Low | 70.9 | Confident | 105 Ų | 105 | 120.3 Ų | 120.3 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | trans | -58.4 | 113.2 | 176.6 | 24.7 | -31.7 | 0 | 0 | 0 | 106.2 | A80 V84 | A80-P82 VanDerWaalsContact O-CD 3.23Å; A80-P82 WeakPolarHBondContact O-CD 3.39Å; A80-P82 VanDerWaalsContact O-N 3.12Å; P82-V84 PolarHBondContact O-N 2.96Å | ||
| 83 | A | 58.2 | Low | 69.2 | Low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -46 | 117.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106 | S81 | S81-A83 PolarHBondContact O-N 2.94Š| ||
| 84 | V | 61.6 | Low | 67.6 | Low | 131 Ų | 131 | 126.3 Ų | 126.3 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -40.7 | 119.6 | -174.5 | 172.3 | 0 | 0 | 0 | 0 | 107.4 | P82 E86 | P82-V84 PolarHBondContact O-N 2.96Å; V84-E86 PolarHBondContact O-N 3.07Å | ||
| 85 | P | 56.6 | Low | 66.5 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | trans | -62.4 | 108.8 | -179.3 | 23.4 | -30.5 | 0 | 0 | 0 | 106.7 | ||||
| 86 | E | 57.8 | Low | 65.6 | Low | 157 Ų | 157 | 122.6 Ų | 122.6 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -39.7 | 125.3 | 161.2 | -91.5 | -71.9 | 135.1 | 0 | 0 | 107.6 | V84 S88 | V84-E86 PolarHBondContact O-N 3.07Å; E86-S88 PolarHBondContact O-N 2.75Å | ||
| 87 | P | 54.1 | Low | 64.8 | Low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -74.5 | 61.3 | -178.1 | 31.3 | -34 | 0 | 0 | 0 | 110 | A89 | P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.84Å; P87-A89 VanDerWaalsContact O-N 3.11Å | ||
| 88 | S | 47.7 | Very low | 64.2 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -82 | 88.4 | 167.7 | -84.6 | 0 | 0 | 0 | 0 | 109.1 | E86 | E86-S88 PolarHBondContact O-N 2.75Š| ||
| 89 | A | 45.4 | Very low | 63.9 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 28.7 | 117.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | P87 | P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.84Å; P87-A89 VanDerWaalsContact O-N 3.11Å |
| 90 | R | 51.5 | Low | 63.7 | Low | 238 Ų | 238 | 126.6 Ų | 126.6 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | trans | 73.9 | 79.1 | 156.6 | -58.9 | -179 | 178.7 | 175.7 | -0.3 | 115.7 | R92 | R90-R92 PolarHBondContact O-N 3.5Š| ||
| 91 | R | 48.7 | Very low | 63.8 | Low | 258 Ų | 258 | 130.4 Ų | 130.4 | 97% | 0.974 | 69% | 0.685 | S | S | * | * | trans | -35.9 | 98.3 | 150.3 | -168 | 176 | 174.8 | -175.4 | -2 | 111.6 | ||||
| 92 | R | 61.5 | Low | 64.6 | Low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 135 | 154.6 | -79.8 | -170.8 | 173.4 | -172.9 | -1 | 107.4 | R90 Q94 | R90-R92 PolarHBondContact O-N 3.5Å; R92-Q94 PolarHBondContact O-N 3.34Å |
| 93 | P | 59 | Low | 65.7 | Low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.2 | 178.2 | 26 | -31.5 | 0 | 0 | 0 | 109 | ||
| 94 | Q | 63.2 | Low | 67 | Low | 124 Ų | 124 | 137.5 Ų | 137.5 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 128.8 | -167.7 | -63.2 | -161.2 | 12.2 | 0 | 0 | 110.8 | R92 L96 D97 | R92-Q94 PolarHBondContact O-N 3.34Å; Q94-L96 PolarHBondContact O-N 3.46Å; Q94-D97 PolarHBondContact O-N 2.93Å |
| 95 | P | 73.5 | Confident | 67.7 | Low | 82 Ų | 82 | 134 Ų | 134 | 53% | 0.532 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -59.6 | -12.6 | 176.1 | 22.6 | -32.2 | 0 | 0 | 0 | 113.5 | E98 L99 | P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.39Å; P95-L99 WeakPolarHBondContact O-CD1 3.43Å; P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å |
| 96 | L | 75 | Confident | 68.4 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 59% | 0.586 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.6 | -34.8 | 177.6 | -74.2 | 162.7 | 0 | 0 | 0 | 113.7 | Q94 E98 L99 K100 | Q94-L96 PolarHBondContact O-N 3.46Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.22Å; L96-L99 PolarHBondContact O-N 3.35Å; L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.06Å |
| 97 | D | 75 | Confident | 68.9 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.4 | -29.9 | 176 | -85.5 | -19.7 | 0 | 0 | 0 | 111.6 | Q94 R101 | Q94-D97 PolarHBondContact O-N 2.93Å; D97-R101 WeakPolarHBondContact O-CG 3.41Å; D97-R101 PolarHBondContact O-N 3.17Å; D97-R101 PolarHBondContact O-NE 3.28Å |
| 98 | E | 79.5 | Confident | 69.3 | Low | 105 Ų | 105 | 128.4 Ų | 128.4 | 49% | 0.491 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.8 | -48.9 | 170.5 | -75.4 | 166.3 | -162.2 | 0 | 0 | 111 | P95 L96 K100 R101 F102 | P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.39Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.22Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.11Å; E98-R101 PolarHBondContact O-N 3.5Å; E98-F102 VanDerWaalsContact O-CD2 3.24Å; E98-F102 WeakPolarHBondContact O-CD2 3.34Å; E98-F102 PolarHBondContact O-N 3Å; E98-F102 VanDerWaalsContact O-N 3.11Å |
| 99 | L | 81 | Confident | 70 | Confident | 91 Ų | 91 | 131.1 Ų | 131.1 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -59.4 | -39.7 | 175.8 | -87.6 | 102.7 | 0 | 0 | 0 | 112.6 | P95 L96 R101 F102 F103 | P95-L99 WeakPolarHBondContact O-CD1 3.43Å; P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.35Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.25Å; L99-F102 WeakPolarHBondContact O-CB 3.4Å; L99-F102 PolarHBondContact O-N 2.85Å; L99-F102 VanDerWaalsContact O-N 3.17Å; L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.39Å |
| 100 | K | 83.5 | Confident | 70.5 | Confident | 136 Ų | 136 | 130.2 Ų | 130.2 | 59% | 0.591 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.3 | -44 | 177 | -172.5 | -178.4 | 174.4 | -170.4 | 0 | 111.6 | L96 E98 F102 F103 E104 | L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.06Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.11Å; K100-F102 VanDerWaalsContact C-N 3.3Å; K100-F102 PolarHBondContact O-N 3.21Å; K100-F103 PolarHBondContact O-N 3.04Å; K100-E104 WeakPolarHBondContact O-CB 3.28Å; K100-E104 PolarHBondContact O-N 2.86Å |
| 101 | R | 84.2 | Confident | 70.4 | Confident | 160 Ų | 160 | 122 Ų | 122 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.1 | -35.9 | 175.4 | -72.4 | -176.5 | -67.1 | 172.7 | 0.8 | 112.5 | D97 E98 L99 A105 | D97-R101 WeakPolarHBondContact O-CG 3.41Å; D97-R101 PolarHBondContact O-N 3.17Å; D97-R101 PolarHBondContact O-NE 3.28Å; E98-R101 PolarHBondContact O-N 3.5Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.25Å; R101-A105 VanDerWaalsContact O-CB 3.24Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 3.29Å |
| 102 | F | 81.1 | Confident | 70.4 | Confident | 159 Ų | 159 | 113.3 Ų | 113.3 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62 | -42.5 | 174.4 | -86.6 | -76.9 | 0 | 0 | 0 | 112.7 | E98 L99 K100 A106 | E98-F102 VanDerWaalsContact O-CD2 3.24Å; E98-F102 WeakPolarHBondContact O-CD2 3.34Å; E98-F102 PolarHBondContact O-N 3Å; E98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 WeakPolarHBondContact O-CB 3.4Å; L99-F102 PolarHBondContact O-N 2.85Å; L99-F102 VanDerWaalsContact O-N 3.17Å; K100-F102 VanDerWaalsContact C-N 3.3Å; K100-F102 PolarHBondContact O-N 3.21Å; F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.92Å |
| 103 | F | 82.7 | Confident | 69.8 | Low | 153 Ų | 153 | 110.7 Ų | 110.7 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -35.3 | 179.1 | -72.6 | -71 | 0 | 0 | 0 | 113.1 | L99 K100 A106 A107 | L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.39Å; K100-F103 PolarHBondContact O-N 3.04Å; F103-A106 PolarHBondContact O-N 3.06Å; F103-A107 PolarHBondContact O-N 3.16Å; F103-A107 VanDerWaalsContact O-N 3.12Å |
| 104 | E | 84 | Confident | 69.1 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.3 | -43.8 | 177.5 | -167 | 165.5 | -162.9 | 0 | 0 | 111.2 | K100 A106 A107 E108 | K100-E104 WeakPolarHBondContact O-CB 3.28Å; K100-E104 PolarHBondContact O-N 2.86Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 2.95Å; E104-A107 PolarHBondContact O-N 2.67Å; E104-A107 VanDerWaalsContact O-N 3.11Å; E104-E108 WeakPolarHBondContact O-CG 3.39Å; E104-E108 PolarHBondContact O-N 2.93Å; E104-E108 VanDerWaalsContact O-N 3.15Å |
| 105 | A | 77.7 | Confident | 67.9 | Low | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.6 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R101 A107 E108 D109 | R101-A105 VanDerWaalsContact O-CB 3.24Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 3.29Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.19Å; A105-E108 PolarHBondContact O-N 3.34Å; A105-D109 PolarHBondContact O-N 2.87Å |
| 106 | A | 70.7 | Confident | 66.4 | Low | 70 Ų | 70 | 123.9 Ų | 123.9 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.9 | -23.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F102 F103 E104 | F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.92Å; F103-A106 PolarHBondContact O-N 3.06Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 2.95Å |
| 107 | A | 67 | Low | 65.1 | Low | 59 Ų | 59 | 123.4 Ų | 123.4 | 49% | 0.488 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -79.2 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F103 E104 A105 A111 | F103-A107 PolarHBondContact O-N 3.16Å; F103-A107 VanDerWaalsContact O-N 3.12Å; E104-A107 PolarHBondContact O-N 2.67Å; E104-A107 VanDerWaalsContact O-N 3.11Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.19Å; A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.18Å |
| 108 | E | 63.2 | Low | 63.4 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.7 | -38.5 | 179.9 | -67 | -68.9 | 135.6 | 0 | 0 | 112.5 | E104 A105 G110 A111 | E104-E108 WeakPolarHBondContact O-CG 3.39Å; E104-E108 PolarHBondContact O-N 2.93Å; E104-E108 VanDerWaalsContact O-N 3.15Å; A105-E108 PolarHBondContact O-N 3.34Å; E108-G110 PolarHBondContact O-N 3.49Å; E108-A111 PolarHBondContact O-N 2.9Å |
| 109 | D | 62 | Low | 61.8 | Low | 160 Ų | 160 | 128.7 Ų | 128.7 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -16.9 | 177.8 | -89.5 | -20.6 | 0 | 0 | 0 | 113.7 | A105 | A105-D109 PolarHBondContact O-N 2.87Š|
| 110 | G | 55.9 | Low | 59.9 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -7.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E108 | E108-G110 PolarHBondContact O-N 3.49Š|
| 111 | A | 49.5 | Very low | 57.9 | Low | 65 Ų | 65 | 125.7 Ų | 125.7 | 54% | 0.537 | 72% | 0.72 | S | S | . | * | trans | -99.6 | 9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A107 E108 L113 | A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.18Å; E108-A111 PolarHBondContact O-N 2.9Å; A111-L113 PolarHBondContact O-N 3.41Å | ||
| 112 | G | 48.3 | Very low | 56 | Low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 12.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 113 | L | 49.6 | Very low | 54.4 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 1.1 | -173.2 | -86.2 | 163.3 | 0 | 0 | 0 | 116.3 | A111 | A111-L113 PolarHBondContact O-N 3.41Š|
| 114 | Q | 43.8 | Very low | 52.4 | Low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -142 | 79.6 | -172.7 | -75.1 | -83.2 | 64.8 | 0 | 0 | 113.4 | ||
| 115 | R | 39 | Very low | 51 | Low | 247 Ų | 247 | 129.6 Ų | 129.6 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | trans | 164.3 | 99.3 | 139 | -98.7 | 177.2 | 166.6 | 166.9 | -2.9 | 111.3 | ||||
| 116 | Q | 42.6 | Very low | 49.1 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -111.2 | 125.8 | 155.2 | -86.4 | -84.9 | 16 | 0 | 0 | 107.2 | ||||
| 117 | P | 46.1 | Very low | 48 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -87.1 | 121.8 | 174.7 | 32.5 | -27.5 | 0 | 0 | 0 | 111 | ||||
| 118 | E | 39.8 | Very low | 47 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 15.3 | 102 | 143 | -54.1 | -68 | 150.9 | 0 | 0 | 117.4 | ||||
| 119 | T | 45.9 | Very low | 46.2 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -153.7 | 127.2 | 139.2 | 1.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 120 | G | 41.6 | Very low | 45.1 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -69.4 | 163.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 121 | G | 42.4 | Very low | 44.7 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 165.8 | 70.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 122 | R | 42.4 | Very low | 44.6 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -6.1 | 123.9 | 154.8 | -155.4 | -166.7 | -178.8 | -154.8 | -0.5 | 117.2 | ||||
| 123 | L | 47.6 | Very low | 45.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | 154.7 | 119.1 | 119.8 | -76.5 | 174 | 0 | 0 | 0 | 112.5 | |||||
| 124 | H | 42.6 | Very low | 45.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -57.1 | -180 | 169 | -115.7 | -118 | 0 | 0 | 0 | 113.4 | ||||
| 125 | P | 53.6 | Low | 45.3 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -138.5 | -171 | -48.3 | 35.3 | -15 | 0 | 0 | 0 | 113.1 | ||||
| 126 | A | 36.8 | Very low | 45.8 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 114.3 | 150.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 127 | V | 49.3 | Very low | 46.2 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | 98.3 | 86.7 | 166 | -160.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 128 | Q | 46.1 | Very low | 46.9 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 33.3 | 119 | 120.8 | -58.7 | -177.7 | 99.2 | 0 | 0 | 117.5 | |||||
| 129 | D | 44.7 | Very low | 47.9 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | -168.5 | 149.4 | 105 | -126.4 | -29.7 | 0 | 0 | 0 | 114.7 | |||||
| 130 | G | 39.1 | Very low | 48.5 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | 6.6 | 132.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 131 | C | 47.5 | Very low | 49.7 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | -179.3 | 120.6 | 117.5 | -90.8 | 0 | 0 | 0 | 0 | 111.4 | V133 | C131-V133 PolarHBondContact O-N 3.22Š| |||
| 132 | P | 48.7 | Very low | 51 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 96.5 | 173.9 | 33.8 | -26.4 | 0 | 0 | 0 | 109.3 | L134 | P132-L134 PolarHBondContact O-N 3.17Š| ||
| 133 | V | 58.2 | Low | 52.3 | Low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -79.4 | 104.4 | 166.9 | 173.8 | 0 | 0 | 0 | 0 | 107.4 | C131 G135 | C131-V133 PolarHBondContact O-N 3.22Å; V133-G135 PolarHBondContact O-N 2.75Å | ||
| 134 | L | 52.4 | Low | 54.1 | Low | 161 Ų | 161 | 123 Ų | 123 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -49.6 | 109.8 | 167.3 | -69.5 | 172 | 0 | 0 | 0 | 108.5 | P132 Q136 | P132-L134 PolarHBondContact O-N 3.17Å; L134-Q136 PolarHBondContact O-N 3.45Å | ||
| 135 | G | 45.6 | Very low | 56.3 | Low | 69 Ų | 69 | 120.4 Ų | 120.4 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -59.7 | 102.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V133 L137 | V133-G135 PolarHBondContact O-N 2.75Å; G135-L137 PolarHBondContact O-N 2.89Å | ||
| 136 | Q | 48.3 | Very low | 58.2 | Low | 186 Ų | 186 | 120.7 Ų | 120.7 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -55.4 | 113.2 | 164.8 | -69.4 | -171 | -0.3 | 0 | 0 | 107.4 | L134 P138 | L134-Q136 PolarHBondContact O-N 3.45Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å | ||
| 137 | L | 51.1 | Low | 60.8 | Low | 161 Ų | 161 | 120.7 Ų | 120.7 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.7 | 169.2 | -85.2 | 151.8 | 0 | 0 | 0 | 107.9 | G135 | G135-L137 PolarHBondContact O-N 2.89Š|
| 138 | P | 62.4 | Low | 62.9 | Low | 108 Ų | 108 | 119.5 Ų | 119.5 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.6 | 174.5 | -22 | 31.7 | 0 | 0 | 0 | 109.4 | Q136 L140 | Q136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-L140 PolarHBondContact O-N 3.41Å |
| 139 | P | 59.8 | Low | 65.1 | Low | 112 Ų | 112 | 116 Ų | 116 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 141 | -179.2 | 25 | -32.7 | 0 | 0 | 0 | 109.3 | V141 | P139-V141 VanDerWaalsContact C-N 3.29Å; P139-V141 WeakPolarHBondContact O-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.39Å |
| 140 | L | 58 | Low | 67.5 | Low | 184 Ų | 184 | 110.8 Ų | 110.8 | 96% | 0.963 | 66% | 0.66 | S | S | * | * | trans | -57.6 | 91.7 | 175.1 | -72.6 | 164.9 | 0 | 0 | 0 | 109.2 | P138 A142 | P138-L140 PolarHBondContact O-N 3.41Å; L140-A142 PolarHBondContact O-N 3.01Å | ||
| 141 | V | 66.8 | Low | 70.2 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.3 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 106.7 | P139 | P139-V141 VanDerWaalsContact C-N 3.29Å; P139-V141 WeakPolarHBondContact O-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.39Å |
| 142 | A | 70 | Confident | 72.4 | Confident | 79 Ų | 79 | 117.3 Ų | 117.3 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -53 | 133.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L140 S144 | L140-A142 PolarHBondContact O-N 3.01Å; A142-S144 PolarHBondContact O-N 3.11Å; A142-S144 VanDerWaalsContact O-N 3.17Å |
| 143 | P | 70.7 | Confident | 74.7 | Confident | 62 Ų | 62 | 115.8 Ų | 115.8 | 40% | 0.403 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 128.7 | -174.1 | 23.4 | -32.5 | 0 | 0 | 0 | 109 | E147 | P143-E147 VanDerWaalsContact CA-OE2 3.3Å; P143-E147 WeakPolarHBondContact CA-OE2 3.46Å; P143-E147 HydrophobicContact CB-CB 4.01Å; P143-E147 WeakPolarHBondContact CB-OE2 3.39Å |
| 144 | S | 84.2 | Confident | 76.4 | Confident | 50 Ų | 50 | 116.9 Ų | 116.9 | 35% | 0.35 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 154.4 | 176.9 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | A142 L146 E147 Q148 | A142-S144 PolarHBondContact O-N 3.11Å; A142-S144 VanDerWaalsContact O-N 3.17Å; S144-L146 PolarHBondContact O-N 3.43Å; S144-L146 VanDerWaalsContact O-N 3.11Å; S144-E147 PolarHBondContact N-OE1 3.08Å; S144-E147 WeakPolarHBondContact O-CA 3.48Å; S144-E147 WeakPolarHBondContact O-CB 3.3Å; S144-E147 PolarHBondContact O-N 3.05Å; S144-E147 WeakPolarHBondContact OG-CG 3.47Å; S144-E147 PolarHBondContact OG-N 2.93Å; S144-E147 PolarHBondContact OG-OE1 3.45Å; S144-Q148 PolarHBondContact O-N 3.06Å |
| 145 | L | 90 | Very high | 78.5 | Confident | 129 Ų | 129 | 115.8 Ų | 115.8 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -49.3 | -40.7 | 176.4 | -174.6 | 102 | 0 | 0 | 0 | 111.5 | Q148 E149 | L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.3Å; L145-E149 PolarHBondContact O-N 3.34Å |
| 146 | L | 92.2 | Very high | 80.9 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.2 | -44.9 | 175.7 | 180 | 63.7 | 0 | 0 | 0 | 112.3 | S144 Q148 E149 V150 | S144-L146 PolarHBondContact O-N 3.43Å; S144-L146 VanDerWaalsContact O-N 3.11Å; L146-Q148 VanDerWaalsContact C-N 3.26Å; L146-Q148 PolarHBondContact O-N 2.97Å; L146-E149 PolarHBondContact O-N 3.43Å; L146-V150 HydrophobicContact CD1-CG2 4.36Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.49Å |
| 147 | E | 90.9 | Very high | 83 | Confident | 87 Ų | 87 | 117.2 Ų | 117.2 | 41% | 0.407 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.3 | -36.4 | 176 | -75.7 | 162.3 | -127.2 | 0 | 0 | 112.1 | P143 S144 V150 R151 | P143-E147 VanDerWaalsContact CA-OE2 3.3Å; P143-E147 WeakPolarHBondContact CA-OE2 3.46Å; P143-E147 HydrophobicContact CB-CB 4.01Å; P143-E147 WeakPolarHBondContact CB-OE2 3.39Å; S144-E147 PolarHBondContact N-OE1 3.08Å; S144-E147 WeakPolarHBondContact O-CA 3.48Å; S144-E147 WeakPolarHBondContact O-CB 3.3Å; S144-E147 PolarHBondContact O-N 3.05Å; S144-E147 WeakPolarHBondContact OG-CG 3.47Å; S144-E147 PolarHBondContact OG-N 2.93Å; S144-E147 PolarHBondContact OG-OE1 3.45Å; E147-V150 PolarHBondContact O-N 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 VanDerWaalsContact O-CG 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.32Å |
| 148 | Q | 93.3 | Very high | 85.1 | Confident | 95 Ų | 95 | 117.8 Ų | 117.8 | 44% | 0.444 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 175.5 | -167.3 | 177.4 | 74.8 | 0 | 0 | 111.5 | S144 L145 L146 R151 R152 | S144-Q148 PolarHBondContact O-N 3.06Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.3Å; L146-Q148 VanDerWaalsContact C-N 3.26Å; L146-Q148 PolarHBondContact O-N 2.97Å; Q148-R151 PolarHBondContact O-N 2.88Å; Q148-R152 PolarHBondContact O-N 3.27Å |
| 149 | E | 93.9 | Very high | 86.5 | Confident | 103 Ų | 103 | 118.1 Ų | 118.1 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.1 | -46.4 | 174.2 | -73.6 | -178.8 | 178.6 | 0 | 0 | 112.1 | L145 L146 R151 R152 V153 | L145-E149 PolarHBondContact O-N 3.34Å; L146-E149 PolarHBondContact O-N 3.43Å; E149-R151 PolarHBondContact O-N 2.87Å; E149-R152 PolarHBondContact O-N 3.24Å; E149-R152 VanDerWaalsContact O-N 3.11Å; E149-V153 WeakPolarHBondContact O-CG2 3.28Å; E149-V153 PolarHBondContact O-N 3.14Å |
| 150 | V | 95.3 | Very high | 88 | Confident | 61 Ų | 61 | 116.8 Ų | 116.8 | 37% | 0.37 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.2 | -39.5 | 177 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L146 E147 R154 | L146-V150 HydrophobicContact CD1-CG2 4.36Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 3.29Å; V150-R154 VanDerWaalsContact O-CG 3.31Å; V150-R154 WeakPolarHBondContact O-CG 3.44Å; V150-R154 PolarHBondContact O-N 3.37Å; V150-R154 VanDerWaalsContact O-N 3.08Å |
| 151 | R | 94.5 | Very high | 89.4 | Confident | 157 Ų | 157 | 112.3 Ų | 112.3 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | 174.1 | -75.7 | 177.4 | -173.7 | -171.3 | 4.5 | 112.2 | E147 Q148 E149 V153 R154 E155 | E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 VanDerWaalsContact O-CG 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.32Å; Q148-R151 PolarHBondContact O-N 2.88Å; E149-R151 PolarHBondContact O-N 2.87Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.38Å; R151-R154 PolarHBondContact O-N 2.97Å; R151-E155 PolarHBondContact O-N 3.23Å |
| 152 | R | 94.8 | Very high | 90.4 | Very high | 159 Ų | 159 | 112 Ų | 112 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 177 | -79.6 | -173.4 | -165 | 161 | 8.9 | 112.4 | Q148 E149 R154 E155 R156 | Q148-R152 PolarHBondContact O-N 3.27Å; E149-R152 PolarHBondContact O-N 3.24Å; E149-R152 VanDerWaalsContact O-N 3.11Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R152-E155 PolarHBondContact O-N 3.35Å; R152-R156 WeakPolarHBondContact O-CB 3.42Å; R152-R156 PolarHBondContact O-N 2.99Å |
| 153 | V | 95.4 | Very high | 91.4 | Very high | 96 Ų | 96 | 112.9 Ų | 112.9 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | E149 R151 R156 E157 | E149-V153 WeakPolarHBondContact O-CG2 3.28Å; E149-V153 PolarHBondContact O-N 3.14Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.38Å; V153-R156 PolarHBondContact O-N 3.48Å; V153-E157 WeakPolarHBondContact O-CB 3.45Å; V153-E157 PolarHBondContact O-N 3.06Å |
| 154 | R | 95.5 | Very high | 92.2 | Very high | 158 Ų | 158 | 116 Ų | 116 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 177.5 | -73.6 | 175.8 | 178 | -174 | 1.2 | 112.9 | V150 R151 R152 E157 R158 | V150-R154 VanDerWaalsContact O-CG 3.31Å; V150-R154 WeakPolarHBondContact O-CG 3.44Å; V150-R154 PolarHBondContact O-N 3.37Å; V150-R154 VanDerWaalsContact O-N 3.08Å; R151-R154 PolarHBondContact O-N 2.97Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R154-E157 PolarHBondContact O-N 3.35Å; R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.29Å; R154-R158 PolarHBondContact O-N 2.97Å |
| 155 | E | 95.4 | Very high | 92 | Very high | 137 Ų | 137 | 120.6 Ų | 120.6 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -48.3 | 173.8 | -88.9 | -175.6 | 149 | 0 | 0 | 111.7 | R151 R152 E157 R158 E159 | R151-E155 PolarHBondContact O-N 3.23Å; R152-E155 PolarHBondContact O-N 3.35Å; E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 2.99Å; E155-R158 WeakPolarHBondContact O-CB 3.2Å; E155-R158 PolarHBondContact O-N 3.24Å; E155-R158 VanDerWaalsContact O-N 3.14Å; E155-E159 PolarHBondContact O-N 2.9Å |
| 156 | R | 96.4 | Very high | 91.7 | Very high | 177 Ų | 177 | 119.6 Ų | 119.6 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 178.3 | -170.7 | 175.9 | -174.9 | -169.4 | 1.2 | 112.2 | R152 V153 E159 L160 | R152-R156 WeakPolarHBondContact O-CB 3.42Å; R152-R156 PolarHBondContact O-N 2.99Å; V153-R156 PolarHBondContact O-N 3.48Å; R156-E159 PolarHBondContact O-N 3.4Å; R156-L160 WeakPolarHBondContact O-CG 3.46Å; R156-L160 PolarHBondContact O-N 2.99Å |
| 157 | E | 93.3 | Very high | 91.2 | Very high | 108 Ų | 108 | 119.9 Ų | 119.9 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 175 | -175.1 | 176.9 | -155.8 | 0 | 0 | 111.7 | V153 R154 E155 L160 Q161 | V153-E157 WeakPolarHBondContact O-CB 3.45Å; V153-E157 PolarHBondContact O-N 3.06Å; R154-E157 PolarHBondContact O-N 3.35Å; E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 2.99Å; E157-L160 PolarHBondContact O-N 2.75Å; E157-Q161 WeakPolarHBondContact O-CB 3.45Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.31Å; E157-Q161 PolarHBondContact O-N 3.44Å |
| 158 | R | 93.2 | Very high | 90.6 | Very high | 174 Ų | 174 | 123.9 Ų | 123.9 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.5 | -42.2 | 175.2 | -71.7 | 170.8 | -177.9 | -143.3 | -0.8 | 112.1 | R154 E155 Q161 L162 | R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.29Å; R154-R158 PolarHBondContact O-N 2.97Å; E155-R158 WeakPolarHBondContact O-CB 3.2Å; E155-R158 PolarHBondContact O-N 3.24Å; E155-R158 VanDerWaalsContact O-N 3.14Å; R158-Q161 WeakPolarHBondContact O-CB 3.5Å; R158-Q161 PolarHBondContact O-N 3.43Å; R158-L162 WeakPolarHBondContact O-CG 3.25Å; R158-L162 PolarHBondContact O-N 3.39Å |
| 159 | E | 92.2 | Very high | 89.4 | Confident | 114 Ų | 114 | 121.2 Ų | 121.2 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -46 | 175.5 | -170.9 | -175 | 173.9 | 0 | 0 | 111.4 | E155 R156 Q161 L162 Q163 | E155-E159 PolarHBondContact O-N 2.9Å; R156-E159 PolarHBondContact O-N 3.4Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.4Å; E159-L162 WeakPolarHBondContact O-CB 3.44Å; E159-L162 PolarHBondContact O-N 2.76Å; E159-Q163 WeakPolarHBondContact O-CG 3.16Å; E159-Q163 PolarHBondContact O-N 2.75Å |
| 160 | L | 92.1 | Very high | 88.2 | Confident | 84 Ų | 84 | 122 Ų | 122 | 44% | 0.44 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -38.5 | 174.4 | -77.2 | 168.6 | 0 | 0 | 0 | 112.1 | R156 E157 L162 Q163 R164 | R156-L160 WeakPolarHBondContact O-CG 3.46Å; R156-L160 PolarHBondContact O-N 2.99Å; E157-L160 PolarHBondContact O-N 2.75Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-Q163 PolarHBondContact O-N 3.4Å; L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.31Å; L160-R164 PolarHBondContact O-N 2.87Å |
| 161 | Q | 87.5 | Confident | 86.4 | Confident | 91 Ų | 91 | 121.3 Ų | 121.3 | 43% | 0.425 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 174.5 | -75.5 | 176.2 | 8 | 0 | 0 | 111.2 | E157 R158 E159 R164 R165 | E157-Q161 WeakPolarHBondContact O-CB 3.45Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.31Å; E157-Q161 PolarHBondContact O-N 3.44Å; R158-Q161 WeakPolarHBondContact O-CB 3.5Å; R158-Q161 PolarHBondContact O-N 3.43Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.4Å; Q161-R164 PolarHBondContact O-N 3.41Å; Q161-R165 WeakPolarHBondContact O-CB 3.44Å; Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.3Å; Q161-R165 PolarHBondContact O-N 3.08Å |
| 162 | L | 88.4 | Confident | 84.8 | Confident | 117 Ų | 117 | 122.3 Ų | 122.3 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.4 | -46.9 | 175.4 | -70.7 | 169.1 | 0 | 0 | 0 | 112 | R158 E159 L160 R164 R165 S166 | R158-L162 WeakPolarHBondContact O-CG 3.25Å; R158-L162 PolarHBondContact O-N 3.39Å; E159-L162 WeakPolarHBondContact O-CB 3.44Å; E159-L162 PolarHBondContact O-N 2.76Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.34Å; L162-R165 PolarHBondContact O-N 3.2Å; L162-S166 PolarHBondContact O-N 3.23Å |
| 163 | Q | 89.9 | Confident | 83 | Confident | 98 Ų | 98 | 119 Ų | 119 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.9 | -42.4 | 175.8 | -68.8 | 177.6 | -0.6 | 0 | 0 | 111.5 | E159 L160 S166 I167 | E159-Q163 WeakPolarHBondContact O-CG 3.16Å; E159-Q163 PolarHBondContact O-N 2.75Å; L160-Q163 PolarHBondContact O-N 3.4Å; Q163-S166 WeakPolarHBondContact O-CB 3.41Å; Q163-S166 PolarHBondContact O-N 3.09Å; Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.19Å; Q163-I167 VanDerWaalsContact O-N 3.15Å |
| 164 | R | 87.1 | Confident | 80.9 | Confident | 128 Ų | 128 | 122.4 Ų | 122.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.1 | -40.6 | 177.5 | -75.3 | 174.2 | 67.6 | -158.6 | -0.5 | 112.4 | L160 Q161 L162 S166 I167 Y168 | L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.31Å; L160-R164 PolarHBondContact O-N 2.87Å; Q161-R164 PolarHBondContact O-N 3.41Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.34Å; R164-S166 VanDerWaalsContact C-N 3.27Å; R164-S166 PolarHBondContact O-N 2.84Å; R164-I167 PolarHBondContact O-N 3.42Å; R164-Y168 HydrophobicContact CB-CD2 4.42Å; R164-Y168 PolarHBondContact O-N 2.98Å |
| 165 | R | 81.3 | Confident | 78.8 | Confident | 146 Ų | 146 | 123.1 Ų | 123.1 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.1 | -38.2 | 174.7 | -73.7 | 173.6 | 93.2 | 171.5 | 8.1 | 110.9 | Q161 L162 I167 G169 D170 | Q161-R165 WeakPolarHBondContact O-CB 3.44Å; Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.3Å; Q161-R165 PolarHBondContact O-N 3.08Å; L162-R165 PolarHBondContact O-N 3.2Å; R165-I167 PolarHBondContact O-N 3.32Å; R165-G169 CarbonylContact O-C 3.6Å; R165-G169 WeakPolarHBondContact O-CA 3.28Å; R165-G169 PolarHBondContact O-N 3.18Å; R165-D170 IonicContact CZ-OD1 2.78Å; R165-D170 IonicContact NE-OD1 3.07Å; R165-D170 PolarHBondContact NE-OD1 3.42Å; R165-D170 IonicContact NH2-OD1 3.61Å; R165-D170 PolarHBondContact NH2-OD1 2.91Å |
| 166 | S | 82.7 | Confident | 76.7 | Confident | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.5 | -35.3 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | L162 Q163 R164 | L162-S166 PolarHBondContact O-N 3.23Å; Q163-S166 WeakPolarHBondContact O-CB 3.41Å; Q163-S166 PolarHBondContact O-N 3.09Å; R164-S166 VanDerWaalsContact C-N 3.27Å; R164-S166 PolarHBondContact O-N 2.84Å |
| 167 | I | 82 | Confident | 74.6 | Confident | 120 Ų | 120 | 114.9 Ų | 114.9 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87.7 | -42.7 | -175.5 | -64.3 | 168 | 0 | 0 | 0 | 112 | Q163 R164 R165 | Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.19Å; Q163-I167 VanDerWaalsContact O-N 3.15Å; R164-I167 PolarHBondContact O-N 3.42Å; R165-I167 PolarHBondContact O-N 3.32Å |
| 168 | Y | 77.5 | Confident | 72.7 | Confident | 170 Ų | 170 | 114.9 Ų | 114.9 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -109.2 | -2.3 | -170.5 | -59.1 | -69.1 | 0 | 0 | 0 | 114 | R164 | R164-Y168 HydrophobicContact CB-CD2 4.42Å; R164-Y168 PolarHBondContact O-N 2.98Å |
| 169 | G | 69.1 | Low | 70.7 | Confident | 40 Ų | 40 | 111.3 Ų | 111.3 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | trans | 76.3 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R165 A171 | R165-G169 CarbonylContact O-C 3.6Å; R165-G169 WeakPolarHBondContact O-CA 3.28Å; R165-G169 PolarHBondContact O-N 3.18Å; G169-A171 PolarHBondContact O-N 2.96Å | ||
| 170 | D | 68 | Low | 68.9 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -71 | 40.5 | 177 | -74.7 | -42.2 | 0 | 0 | 0 | 113.4 | R165 E172 | R165-D170 IonicContact CZ-OD1 2.78Å; R165-D170 IonicContact NE-OD1 3.07Å; R165-D170 PolarHBondContact NE-OD1 3.42Å; R165-D170 IonicContact NH2-OD1 3.61Å; R165-D170 PolarHBondContact NH2-OD1 2.91Å; D170-E172 PolarHBondContact O-N 3.39Å |
| 171 | A | 58.8 | Low | 67 | Low | 48 Ų | 48 | 112.7 Ų | 112.7 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | trans | -65.3 | 110.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | G169 V173 | G169-A171 PolarHBondContact O-N 2.96Å; A171-V173 PolarHBondContact O-N 2.72Å | ||
| 172 | E | 60.5 | Low | 65.4 | Low | 177 Ų | 177 | 114.4 Ų | 114.4 | 83% | 0.827 | 62% | 0.623 | S | S | * | * | trans | -49.3 | 95.8 | 159.2 | -77.7 | -175.5 | 166.2 | 0 | 0 | 106.2 | D170 Q174 | D170-E172 PolarHBondContact O-N 3.39Å; E172-Q174 PolarHBondContact O-N 3.15Å | ||
| 173 | V | 57.1 | Low | 63.6 | Low | 90 Ų | 90 | 111.9 Ų | 111.9 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | trans | -72.5 | 78.4 | 168.2 | -179.4 | 0 | 0 | 0 | 0 | 103 | A171 E175 | A171-V173 PolarHBondContact O-N 2.72Å; V173-E175 PolarHBondContact O-N 3.06Å | ||
| 174 | Q | 51.8 | Low | 61.8 | Low | 167 Ų | 167 | 118.7 Ų | 118.7 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | trans | -50.6 | 108.1 | 146.7 | -81 | -154.9 | 75.1 | 0 | 0 | 103.6 | E172 P176 | E172-Q174 PolarHBondContact O-N 3.15Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å | ||
| 175 | E | 50.2 | Low | 60.5 | Low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | trans | -46 | 110.7 | 175.4 | -135.4 | -170.6 | 178.6 | 0 | 0 | 105.1 | V173 A177 | V173-E175 PolarHBondContact O-N 3.06Å; E175-A177 PolarHBondContact O-N 3.28Å | ||
| 176 | P | 52.4 | Low | 59.6 | Low | 62 Ų | 62 | 116 Ų | 116 | 40% | 0.403 | 66% | 0.662 | S | S | . | * | trans | -71.6 | 96.3 | -178.5 | 24.6 | -23.9 | 0 | 0 | 0 | 103.2 | Q174 P178 P195 | Q174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-P178 VanDerWaalsContact O-N 3.1Å; P176-P195 HydrophobicContact CB-CB 3.88Å; P176-P195 HydrophobicContact CB-CG 4.06Å; P176-P195 HydrophobicContact CG-CB 3.71Å; P176-P195 HydrophobicContact CG-CG 3.35Å | ||
| 177 | A | 51.3 | Low | 58.6 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | trans | -44 | 125.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | E175 S179 | E175-A177 PolarHBondContact O-N 3.28Å; A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 3.04Å | ||
| 178 | P | 54.3 | Low | 57.6 | Low | 107 Ų | 107 | 116.8 Ų | 116.8 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -54.1 | 109.4 | -178.9 | 22 | -31.2 | 0 | 0 | 0 | 105.5 | P176 L180 | P176-P178 VanDerWaalsContact O-N 3.1Å; P178-L180 PolarHBondContact O-N 3.44Å | ||
| 179 | S | 50.8 | Low | 56.8 | Low | 100 Ų | 100 | 115.5 Ų | 115.5 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -68.9 | 95.7 | 176.5 | 44.3 | 0 | 0 | 0 | 0 | 104.3 | A177 T181 | A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 3.04Å; S179-T181 PolarHBondContact O-N 3.28Å | ||
| 180 | L | 54.3 | Low | 56.4 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | trans | -66.1 | 76.2 | 166.3 | -63.3 | 176.9 | 0 | 0 | 0 | 105.6 | P178 P182 L189 | P178-L180 PolarHBondContact O-N 3.44Å; L180-P182 WeakPolarHBondContact O-CD 3.18Å; L180-L189 HydrophobicContact CD2-CD2 4.37Å | ||
| 181 | T | 52.2 | Low | 56.4 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | trans | -69 | 122.1 | 164.5 | 47 | 0 | 0 | 0 | 0 | 105.6 | S179 S183 | S179-T181 PolarHBondContact O-N 3.28Å; T181-S183 PolarHBondContact O-N 2.86Å | ||
| 182 | P | 52.9 | Low | 56.7 | Low | 128 Ų | 128 | 120 Ų | 120 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -62.5 | 106.2 | 172.6 | 24.2 | -30.3 | 0 | 0 | 0 | 107.3 | L180 R184 | L180-P182 WeakPolarHBondContact O-CD 3.18Å; P182-R184 PolarHBondContact O-N 2.86Å | ||
| 183 | S | 51.4 | Low | 56.7 | Low | 64 Ų | 64 | 121.2 Ų | 121.2 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | trans | -62.9 | 125.8 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | T181 G185 | T181-S183 PolarHBondContact O-N 2.86Å; S183-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact O-N 3.16Å | ||
| 184 | R | 52.9 | Low | 56.9 | Low | 241 Ų | 241 | 121.5 Ų | 121.5 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -48.4 | 122.1 | 171.7 | -81.7 | -178.8 | 169.3 | -166.4 | -2.9 | 109.4 | P182 D186 | P182-R184 PolarHBondContact O-N 2.86Å; R184-D186 PolarHBondContact O-N 3.5Å |
| 185 | G | 58.4 | Low | 57.5 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 83.1 | -36.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | S183 | S183-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact O-N 3.16Å |
| 186 | D | 62.9 | Low | 58.1 | Low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -100.2 | 1.3 | -159.1 | -76 | -6 | 0 | 0 | 0 | 116.8 | R184 K188 | R184-D186 PolarHBondContact O-N 3.5Å; D186-K188 PolarHBondContact O-N 2.86Å |
| 187 | G | 62.4 | Low | 58.4 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 69% | 0.686 | S | S | * | * | trans | 61.7 | 9.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 188 | K | 60.9 | Low | 58.6 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 73% | 0.726 | 70% | 0.698 | S | S | * | * | trans | -96.1 | 121.5 | 172.6 | -81 | 177.9 | 177.3 | 172.6 | 0 | 109.8 | D186 S190 | D186-K188 PolarHBondContact O-N 2.86Å; K188-S190 PolarHBondContact O-N 2.69Å | ||
| 189 | L | 61 | Low | 58.2 | Low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -72.7 | 105.8 | 164.9 | -67.7 | 169.9 | 0 | 0 | 0 | 108 | L180 V191 | L180-L189 HydrophobicContact CD2-CD2 4.37Å; L189-V191 PolarHBondContact O-N 2.7Å | ||
| 190 | S | 61.1 | Low | 58.3 | Low | 69 Ų | 69 | 132.6 Ų | 132.6 | 48% | 0.483 | 71% | 0.708 | S | S | . | * | trans | -80.4 | 101.6 | 170.2 | 58 | 0 | 0 | 0 | 0 | 109.1 | K188 I192 | K188-S190 PolarHBondContact O-N 2.69Å; S190-I192 PolarHBondContact O-N 3.01Å | ||
| 191 | V | 66.6 | Low | 57.9 | Low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | trans | -81.8 | 110.1 | 168.1 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | L189 | L189-V191 PolarHBondContact O-N 2.7Š| ||
| 192 | I | 66 | Low | 57.5 | Low | 106 Ų | 106 | 140.1 Ų | 140.1 | 54% | 0.544 | 73% | 0.73 | S | S | . | * | trans | -94.9 | 114.4 | 175.5 | -58.6 | 173.6 | 0 | 0 | 0 | 107.9 | S190 | S190-I192 PolarHBondContact O-N 3.01Š| ||
| 193 | W | 61 | Low | 57.3 | Low | 203 Ų | 203 | 141 Ų | 141 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -125.8 | 127.8 | 173.4 | -167.4 | -103.1 | 0 | 0 | 0 | 109.7 | P195 | W193-P195 HydrophobicContact CE3-CG 3.77Å; W193-P195 HydrophobicContact CH2-CG 4.02Å; W193-P195 HydrophobicContact CZ3-CG 3.39Å |
| 194 | P | 59.8 | Low | 57 | Low | 96 Ų | 96 | 149.4 Ų | 149.4 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -81.2 | 159 | 8.2 | 33.1 | -33.1 | 0 | 0 | 0 | 113.2 | R196 | P194-R196 PolarHBondContact O-N 2.78Š|
| 195 | P | 65.3 | Low | 56.8 | Low | 46 Ų | 46 | 147.5 Ų | 147.5 | 30% | 0.299 | 74% | 0.738 | S | S | . | * | trans | -60.1 | 131.3 | 178 | -16.5 | 30.4 | 0 | 0 | 0 | 109.6 | P176 W193 R197 | P176-P195 HydrophobicContact CB-CB 3.88Å; P176-P195 HydrophobicContact CB-CG 4.06Å; P176-P195 HydrophobicContact CG-CB 3.71Å; P176-P195 HydrophobicContact CG-CG 3.35Å; W193-P195 HydrophobicContact CE3-CG 3.77Å; W193-P195 HydrophobicContact CH2-CG 4.02Å; W193-P195 HydrophobicContact CZ3-CG 3.39Å; P195-R197 PolarHBondContact O-N 3.03Å | ||
| 196 | R | 62.2 | Low | 56.9 | Low | 221 Ų | 221 | 153.3 Ų | 153.3 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -63.8 | 114 | 176 | -69.7 | -175.7 | 177.4 | -85.7 | -0 | 108.6 | P194 R198 | P194-R196 PolarHBondContact O-N 2.78Å; R196-R198 PolarHBondContact O-N 2.97Å | ||
| 197 | R | 60.2 | Low | 56.6 | Low | 203 Ų | 203 | 154.1 Ų | 154.1 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -61.8 | 130.2 | 167.1 | -63.5 | -175.2 | -170.4 | -100.1 | 3.8 | 107.4 | P195 A199 | P195-R197 PolarHBondContact O-N 3.03Å; R197-A199 PolarHBondContact O-N 2.78Å | ||
| 198 | R | 53.9 | Low | 56.3 | Low | 241 Ų | 241 | 158.1 Ų | 158.1 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -64.7 | 110.1 | 169.7 | -62.8 | -155.8 | -175.4 | -101.6 | 3.1 | 106.6 | R196 S200 | R196-R198 PolarHBondContact O-N 2.97Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.97Å | ||
| 199 | A | 46.3 | Very low | 56 | Low | 100 Ų | 100 | 157.6 Ų | 157.6 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -67.6 | 96.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | R197 E201 | R197-A199 PolarHBondContact O-N 2.78Å; A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 PolarHBondContact O-N 3Å | ||
| 200 | S | 54 | Low | 55.7 | Low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -62.8 | 100.7 | 159.4 | 19.4 | 0 | 0 | 0 | 0 | 106.9 | R198 K202 | R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.97Å; S200-K202 PolarHBondContact O-N 3.01Å | ||
| 201 | E | 45.8 | Very low | 55.4 | Low | 184 Ų | 184 | 164 Ų | 164 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -20.3 | 96 | 157.5 | -168.4 | 171.9 | 174.1 | 0 | 0 | 113.1 | A199 | A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 PolarHBondContact O-N 3Å | ||
| 202 | K | 43.6 | Very low | 54.7 | Low | 199 Ų | 199 | 166.6 Ų | 166.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 64 | 154.5 | -76.2 | -168.4 | 178.5 | -179.1 | 0 | 107.4 | S200 R204 | S200-K202 PolarHBondContact O-N 3.01Å; K202-R204 PolarHBondContact O-N 2.99Å | ||
| 203 | E | 48.5 | Very low | 53.9 | Low | 147 Ų | 147 | 170.9 Ų | 170.9 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 85.3 | 161.5 | -161.4 | -180 | 154.8 | 0 | 0 | 107 | R205 | E203-R205 HydrophobicContact CG-CG 4.35Å; E203-R205 PolarHBondContact O-N 3.25Å; E203-R205 IonicContact OE1-CZ 3.81Å; E203-R205 IonicContact OE1-NE 3.07Å; E203-R205 PolarHBondContact OE1-NE 3.07Å; E203-R205 IonicContact OE1-NH2 2.75Å | ||
| 204 | R | 43.9 | Very low | 53.3 | Low | 241 Ų | 241 | 168.5 Ų | 168.5 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 105.1 | 154 | -87.7 | -171.7 | 174 | -138.9 | 1.1 | 106.1 | K202 | K202-R204 PolarHBondContact O-N 2.99Š| ||
| 205 | R | 49 | Very low | 52.8 | Low | 201 Ų | 201 | 174.5 Ų | 174.5 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 160.7 | 159.3 | -92.2 | -172.1 | -170.3 | -166.4 | 3.5 | 109.7 | E203 | E203-R205 HydrophobicContact CG-CG 4.35Å; E203-R205 PolarHBondContact O-N 3.25Å; E203-R205 IonicContact OE1-CZ 3.81Å; E203-R205 IonicContact OE1-NE 3.07Å; E203-R205 PolarHBondContact OE1-NE 3.07Å; E203-R205 IonicContact OE1-NH2 2.75Å | ||
| 206 | P | 60.5 | Low | 51.6 | Low | 200 Ų | 200 | 186.2 Ų | 186.2 | 100% | 1.299 | 86% | 0.863 | S | S | * | * | trans | -62.3 | 0 | -144.8 | 27.6 | -36.1 | 0 | 0 | 0 | 115.7 |
Retrieved 206 of 206 residues in 86.9 ms
(Link to these results)