| 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 | 88.1 | Confident | 96.5 | Very high | 233 Ų | 233 | 106.2 Ų | 106.2 | 100% | 1.148 | 51% | 0.508 | S | S | * | . | 0 | 119.2 | 0 | -64.8 | -58.1 | -161.7 | 0 | 0 | 107.8 | |||||
| 2 | E | 93.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 101.3 Ų | 101.3 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | trans | -71.5 | 131.8 | 173.4 | -175 | 177.7 | -135.5 | 0 | 0 | 108.9 | Q6 R7 R10 | E2-Q6 HydrophobicContact CG-CB 3.63Å; E2-R7 VanDerWaalsContact CD-CA 3.43Å; E2-R7 HydrophobicContact CG-CB 4.15Å; E2-R7 WeakPolarHBondContact OE1-CA 3.26Å; E2-R7 PolarHBondContact OE1-N 3.07Å; E2-R7 WeakPolarHBondContact OE2-CB 3.31Å; E2-R10 IonicContact OE1-CZ 2.87Å; E2-R10 IonicContact OE1-NE 3.69Å; E2-R10 PolarHBondContact OE1-NE 3.09Å; E2-R10 IonicContact OE1-NH2 3.27Å; E2-R10 IonicContact OE2-CZ 3.7Å; E2-R10 IonicContact OE2-NE 3.87Å; E2-R10 IonicContact OE2-NH2 3.91Å; E2-R10 PolarHBondContact OE2-NH2 2.71Å | ||
| 3 | T | 98.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 99.3 Ų | 99.3 | 34% | 0.344 | 50% | 0.495 | S | S | . | . | trans | -74.4 | 156.7 | 174.9 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | I5 Q6 R7 | T3-I5 PolarHBondContact O-N 3.15Å; T3-I5 VanDerWaalsContact O-N 3.15Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.37Å; T3-Q6 PolarHBondContact O-N 3.35Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.48Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.33Å; T3-Q6 PolarHBondContact OG1-N 3.31Å; T3-Q6 PolarHBondContact OG1-OE1 3.12Å; T3-R7 PolarHBondContact O-N 3.12Å; T3-R7 VanDerWaalsContact O-N 3.08Å | ||
| 4 | P | 98.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -53.7 | -36.4 | 175.9 | -28.1 | 35.9 | 0 | 0 | 0 | 113.5 | E8 | P4-E8 PolarHBondContact O-N 3.27Å |
| 5 | I | 97.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.6 | -40.4 | 177.9 | -173.6 | 61 | 0 | 0 | 0 | 112.2 | T3 R7 E8 I9 | T3-I5 PolarHBondContact O-N 3.15Å; T3-I5 VanDerWaalsContact O-N 3.15Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.37Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 2.81Å; I5-E8 PolarHBondContact O-N 3.43Å; I5-I9 HydrophobicContact CG1-CD1 4.09Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 3.45Å |
| 6 | Q | 98.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.8 | -76.7 | 168.1 | -17.7 | 0 | 0 | 111.8 | E2 T3 E8 I9 R10 | E2-Q6 HydrophobicContact CG-CB 3.63Å; T3-Q6 PolarHBondContact O-N 3.35Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.48Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.33Å; T3-Q6 PolarHBondContact OG1-N 3.31Å; T3-Q6 PolarHBondContact OG1-OE1 3.12Å; Q6-E8 VanDerWaalsContact C-N 3.3Å; Q6-E8 PolarHBondContact O-N 3.44Å; Q6-I9 PolarHBondContact O-N 3.36Å; Q6-R10 WeakPolarHBondContact O-CB 3.39Å; Q6-R10 PolarHBondContact O-N 3.27Å |
| 7 | R | 97.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 38% | 0.381 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 176.4 | -174.6 | 179.3 | 61.1 | -129.6 | -2.2 | 112.4 | E2 T3 I5 R11 | E2-R7 VanDerWaalsContact CD-CA 3.43Å; E2-R7 HydrophobicContact CG-CB 4.15Å; E2-R7 WeakPolarHBondContact OE1-CA 3.26Å; E2-R7 PolarHBondContact OE1-N 3.07Å; E2-R7 WeakPolarHBondContact OE2-CB 3.31Å; T3-R7 PolarHBondContact O-N 3.12Å; T3-R7 VanDerWaalsContact O-N 3.08Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 2.81Å; R7-R11 WeakPolarHBondContact O-CG 3.25Å; R7-R11 PolarHBondContact O-N 3.07Å |
| 8 | E | 97.9 | Very high | 95.4 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 179.5 | -164.6 | 57.5 | -144.5 | 0 | 0 | 112.4 | P4 I5 Q6 R11 S12 | P4-E8 PolarHBondContact O-N 3.27Å; I5-E8 PolarHBondContact O-N 3.43Å; Q6-E8 VanDerWaalsContact C-N 3.3Å; Q6-E8 PolarHBondContact O-N 3.44Å; E8-R11 PolarHBondContact O-N 2.97Å; E8-R11 IonicContact OE2-CZ 3.24Å; E8-R11 IonicContact OE2-NE 3.13Å; E8-R11 PolarHBondContact OE2-NE 3.21Å; E8-R11 IonicContact OE2-NH2 3.06Å; E8-R11 PolarHBondContact OE2-NH2 3.35Å; E8-S12 WeakPolarHBondContact O-CB 3.41Å; E8-S12 PolarHBondContact O-N 3.12Å; E8-S12 PolarHBondContact O-OG 2.87Å |
| 9 | I | 97.3 | Very high | 95.2 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -51.8 | 173.3 | -68.5 | 166.8 | 0 | 0 | 0 | 109.4 | I5 Q6 R11 S12 C13 | I5-I9 HydrophobicContact CG1-CD1 4.09Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 3.45Å; Q6-I9 PolarHBondContact O-N 3.36Å; I9-R11 PolarHBondContact O-N 2.89Å; I9-S12 PolarHBondContact O-N 3.4Å; I9-S12 VanDerWaalsContact O-N 3.09Å; I9-C13 PolarHBondContact O-N 2.91Å; I9-C13 PolarHBondContact O-SG 2.88Å; I9-C13 VanDerWaalsContact O-SG 3.32Å |
| 10 | R | 97 | Very high | 94.9 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | -180 | -178.9 | 177 | 54.9 | 77.7 | -2.9 | 112.1 | E2 Q6 S12 C13 E14 | E2-R10 IonicContact OE1-CZ 2.87Å; E2-R10 IonicContact OE1-NE 3.69Å; E2-R10 PolarHBondContact OE1-NE 3.09Å; E2-R10 IonicContact OE1-NH2 3.27Å; E2-R10 IonicContact OE2-CZ 3.7Å; E2-R10 IonicContact OE2-NE 3.87Å; E2-R10 IonicContact OE2-NH2 3.91Å; E2-R10 PolarHBondContact OE2-NH2 2.71Å; Q6-R10 WeakPolarHBondContact O-CB 3.39Å; Q6-R10 PolarHBondContact O-N 3.27Å; R10-S12 PolarHBondContact O-N 3.13Å; R10-C13 PolarHBondContact O-N 2.94Å; R10-E14 HydrophobicContact CG-CG 4.45Å; R10-E14 VanDerWaalsContact CG-OE1 3.26Å; R10-E14 WeakPolarHBondContact CG-OE1 3.37Å; R10-E14 IonicContact CZ-OE1 2.76Å; R10-E14 IonicContact NH1-OE1 3.81Å; R10-E14 PolarHBondContact NH1-OE1 3.31Å; R10-E14 IonicContact NH1-OE2 2.69Å; R10-E14 WeakPolarHBondContact O-CG 3.44Å; R10-E14 PolarHBondContact O-N 2.91Å |
| 11 | R | 97.3 | Very high | 94.6 | Very high | 103 Ų | 103 | 97 Ų | 97 | 39% | 0.389 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.7 | -36.5 | 176 | -76.7 | -168.2 | -70.8 | -142.7 | 4.9 | 112.8 | R7 E8 I9 R15 | R7-R11 WeakPolarHBondContact O-CG 3.25Å; R7-R11 PolarHBondContact O-N 3.07Å; E8-R11 PolarHBondContact O-N 2.97Å; E8-R11 IonicContact OE2-CZ 3.24Å; E8-R11 IonicContact OE2-NE 3.13Å; E8-R11 PolarHBondContact OE2-NE 3.21Å; E8-R11 IonicContact OE2-NH2 3.06Å; E8-R11 PolarHBondContact OE2-NH2 3.35Å; I9-R11 PolarHBondContact O-N 2.89Å; R11-R15 WeakPolarHBondContact O-CG 3.44Å; R11-R15 PolarHBondContact O-N 3Å; R11-R15 VanDerWaalsContact O-N 3.17Å |
| 12 | S | 95.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 90.4 Ų | 90.4 | 33% | 0.329 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.7 | -40.8 | 178.6 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | E8 I9 R10 R15 E16 | E8-S12 WeakPolarHBondContact O-CB 3.41Å; E8-S12 PolarHBondContact O-N 3.12Å; E8-S12 PolarHBondContact O-OG 2.87Å; I9-S12 PolarHBondContact O-N 3.4Å; I9-S12 VanDerWaalsContact O-N 3.09Å; R10-S12 PolarHBondContact O-N 3.13Å; S12-R15 PolarHBondContact O-N 3.44Å; S12-R15 PolarHBondContact OG-NH2 3.17Å; S12-E16 PolarHBondContact O-N 2.9Å |
| 13 | C | 93.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 94 Ų | 94 | 51% | 0.514 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.4 | -66 | 0 | 0 | 0 | 0 | 112 | I9 R10 R15 E16 E17 | I9-C13 PolarHBondContact O-N 2.91Å; I9-C13 PolarHBondContact O-SG 2.88Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; R10-C13 PolarHBondContact O-N 2.94Å; C13-R15 PolarHBondContact O-N 3.36Å; C13-E16 PolarHBondContact O-N 3.19Å; C13-E17 WeakPolarHBondContact O-CB 3.35Å; C13-E17 PolarHBondContact O-N 2.99Å |
| 14 | E | 95 | Very high | 94 | Very high | 96 Ų | 96 | 94.7 Ų | 94.7 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.1 | -71.9 | 166.8 | -173.8 | 0 | 0 | 112 | R10 S18 | R10-E14 HydrophobicContact CG-CG 4.45Å; R10-E14 VanDerWaalsContact CG-OE1 3.26Å; R10-E14 WeakPolarHBondContact CG-OE1 3.37Å; R10-E14 IonicContact CZ-OE1 2.76Å; R10-E14 IonicContact NH1-OE1 3.81Å; R10-E14 PolarHBondContact NH1-OE1 3.31Å; R10-E14 IonicContact NH1-OE2 2.69Å; R10-E14 WeakPolarHBondContact O-CG 3.44Å; R10-E14 PolarHBondContact O-N 2.91Å; E14-S18 PolarHBondContact O-N 2.93Å; E14-S18 VanDerWaalsContact O-N 3.12Å |
| 15 | R | 95.9 | Very high | 93.3 | Very high | 155 Ų | 155 | 93.2 Ų | 93.2 | 59% | 0.585 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 176.6 | -77.2 | -172.6 | -60.4 | 143.3 | -0.7 | 112.1 | R11 S12 C13 E17 S18 L19 | R11-R15 WeakPolarHBondContact O-CG 3.44Å; R11-R15 PolarHBondContact O-N 3Å; R11-R15 VanDerWaalsContact O-N 3.17Å; S12-R15 PolarHBondContact O-N 3.44Å; S12-R15 PolarHBondContact OG-NH2 3.17Å; C13-R15 PolarHBondContact O-N 3.36Å; R15-E17 VanDerWaalsContact C-N 3.35Å; R15-S18 PolarHBondContact O-N 3.44Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.47Å |
| 16 | E | 91.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 90.3 Ų | 90.3 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 179.9 | 178.8 | 54.7 | -165.8 | 0 | 0 | 111.5 | S12 C13 S18 L19 R20 | S12-E16 PolarHBondContact O-N 2.9Å; C13-E16 PolarHBondContact O-N 3.19Å; E16-S18 VanDerWaalsContact C-N 3.33Å; E16-S18 PolarHBondContact O-N 3.24Å; E16-L19 PolarHBondContact O-N 3.06Å; E16-R20 HydrophobicContact CG-CG 4.37Å; E16-R20 VanDerWaalsContact O-CG 3.25Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 2.89Å; E16-R20 WeakPolarHBondContact OE1-CD 3.36Å; E16-R20 WeakPolarHBondContact OE1-CG 3.41Å |
| 17 | E | 91.4 | Very high | 91.1 | Very high | 85 Ų | 85 | 90.6 Ų | 90.6 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.6 | -159.2 | -164.2 | 152.2 | 0 | 0 | 111.9 | C13 R15 R20 R21 | C13-E17 WeakPolarHBondContact O-CB 3.35Å; C13-E17 PolarHBondContact O-N 2.99Å; R15-E17 VanDerWaalsContact C-N 3.35Å; E17-R20 PolarHBondContact O-N 3.09Å; E17-R21 WeakPolarHBondContact O-CG 3.2Å; E17-R21 PolarHBondContact O-N 3.37Å; E17-R21 IonicContact OE1-CZ 3.31Å; E17-R21 VanDerWaalsContact OE1-CZ 3.31Å; E17-R21 IonicContact OE1-NE 3.09Å; E17-R21 PolarHBondContact OE1-NE 3.22Å; E17-R21 VanDerWaalsContact OE1-NE 3.09Å; E17-R21 IonicContact OE1-NH2 2.82Å; E17-R21 PolarHBondContact OE1-NH2 3.27Å; E17-R21 IonicContact OE2-NH2 2.71Å; E17-R21 PolarHBondContact OE2-NH2 3.42Å; E17-R21 VanDerWaalsContact OE2-NH2 3.13Å |
| 18 | S | 92.6 | Very high | 89.8 | Confident | 67 Ų | 67 | 89.3 Ų | 89.3 | 47% | 0.469 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | E14 R15 E16 R20 R21 S22 | E14-S18 PolarHBondContact O-N 2.93Å; E14-S18 VanDerWaalsContact O-N 3.12Å; R15-S18 PolarHBondContact O-N 3.44Å; E16-S18 VanDerWaalsContact C-N 3.33Å; E16-S18 PolarHBondContact O-N 3.24Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 2.97Å; S18-R21 PolarHBondContact O-N 3.27Å; S18-S22 PolarHBondContact O-N 3.06Å; S18-S22 PolarHBondContact O-OG 2.68Å |
| 19 | L | 91.8 | Very high | 88.3 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.3 | -73.9 | 170.6 | 0 | 0 | 0 | 111.6 | R15 E16 S22 R23 | R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.47Å; E16-L19 PolarHBondContact O-N 3.06Å; L19-S22 PolarHBondContact O-N 2.85Å; L19-S22 PolarHBondContact O-OG 2.82Å; L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.69Å; L19-R23 VanDerWaalsContact O-N 3.12Å |
| 20 | R | 89 | Confident | 86.8 | Confident | 32 Ų | 32 | 91 Ų | 91 | 12% | 0.121 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 177.6 | -68.6 | 174.4 | 73.7 | 75.2 | 6.6 | 111.6 | E16 E17 S18 S22 R23 G24 L25 S26 E33 | E16-R20 HydrophobicContact CG-CG 4.37Å; E16-R20 VanDerWaalsContact O-CG 3.25Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 2.89Å; E16-R20 WeakPolarHBondContact OE1-CD 3.36Å; E16-R20 WeakPolarHBondContact OE1-CG 3.41Å; E17-R20 PolarHBondContact O-N 3.09Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 2.97Å; R20-S22 PolarHBondContact O-N 3.47Å; R20-R23 CarbonylContact O-C 3.6Å; R20-R23 PolarHBondContact O-N 2.76Å; R20-R23 VanDerWaalsContact O-N 3.12Å; R20-G24 PolarHBondContact O-N 2.82Å; R20-G24 VanDerWaalsContact O-N 3.15Å; R20-L25 HydrophobicContact CB-CB 4.15Å; R20-L25 PolarHBondContact O-N 3.27Å; R20-S26 PolarHBondContact NH2-O 3.32Å; R20-E33 IonicContact CZ-OE1 3.12Å; R20-E33 IonicContact CZ-OE2 3.89Å; R20-E33 IonicContact NH1-OE2 3.72Å; R20-E33 PolarHBondContact NH1-OE2 3.09Å; R20-E33 IonicContact NH2-OE1 3.93Å; R20-E33 PolarHBondContact NH2-OE1 3.19Å; R20-E33 IonicContact NH2-OE2 2.69Å; R20-E33 PolarHBondContact NH2-OE2 3.36Å |
| 21 | R | 89.3 | Confident | 85.3 | Confident | 153 Ų | 153 | 90.1 Ų | 90.1 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58 | -46.1 | 175.6 | -71.7 | -170.7 | -130.7 | 124.5 | -7.6 | 112 | E17 S18 R23 G24 | E17-R21 WeakPolarHBondContact O-CG 3.2Å; E17-R21 PolarHBondContact O-N 3.37Å; E17-R21 IonicContact OE1-CZ 3.31Å; E17-R21 VanDerWaalsContact OE1-CZ 3.31Å; E17-R21 IonicContact OE1-NE 3.09Å; E17-R21 PolarHBondContact OE1-NE 3.22Å; E17-R21 VanDerWaalsContact OE1-NE 3.09Å; E17-R21 IonicContact OE1-NH2 2.82Å; E17-R21 PolarHBondContact OE1-NH2 3.27Å; E17-R21 IonicContact OE2-NH2 2.71Å; E17-R21 PolarHBondContact OE2-NH2 3.42Å; E17-R21 VanDerWaalsContact OE2-NH2 3.13Å; S18-R21 PolarHBondContact O-N 3.27Å; R21-R23 PolarHBondContact O-N 2.98Å; R21-G24 PolarHBondContact O-N 3.49Å |
| 22 | S | 91.2 | Very high | 83.9 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -25.5 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 114 | S18 L19 R20 | S18-S22 PolarHBondContact O-N 3.06Å; S18-S22 PolarHBondContact O-OG 2.68Å; L19-S22 PolarHBondContact O-N 2.85Å; L19-S22 PolarHBondContact O-OG 2.82Å; R20-S22 PolarHBondContact O-N 3.47Å |
| 23 | R | 88.7 | Confident | 82.6 | Confident | 162 Ų | 162 | 92.2 Ų | 92.2 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.7 | 174.7 | -67.5 | 171.4 | -178.9 | 161.6 | 1.6 | 113.4 | L19 R20 R21 L25 | L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.69Å; L19-R23 VanDerWaalsContact O-N 3.12Å; R20-R23 CarbonylContact O-C 3.6Å; R20-R23 PolarHBondContact O-N 2.76Å; R20-R23 VanDerWaalsContact O-N 3.12Å; R21-R23 PolarHBondContact O-N 2.98Å; R23-L25 HydrophobicContact CB-CD1 3.98Å; R23-L25 HydrophobicContact CB-CG 3.89Å; R23-L25 PolarHBondContact O-N 2.98Å |
| 24 | G | 87.4 | Confident | 81.5 | Confident | 72 Ų | 72 | 97 Ų | 97 | 74% | 0.742 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 19.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R20 R21 | R20-G24 PolarHBondContact O-N 2.82Å; R20-G24 VanDerWaalsContact O-N 3.15Å; R21-G24 PolarHBondContact O-N 3.49Å |
| 25 | L | 83.4 | Confident | 80.4 | Confident | 64 Ų | 64 | 98.8 Ų | 98.8 | 34% | 0.335 | 55% | 0.55 | S | S | . | * | trans | -85.7 | 133.3 | -179.7 | -62.7 | 175.4 | 0 | 0 | 0 | 110.4 | R20 R23 | R20-L25 HydrophobicContact CB-CB 4.15Å; R20-L25 PolarHBondContact O-N 3.27Å; R23-L25 HydrophobicContact CB-CD1 3.98Å; R23-L25 HydrophobicContact CB-CG 3.89Å; R23-L25 PolarHBondContact O-N 2.98Å | ||
| 26 | S | 77.3 | Confident | 79.4 | Confident | 51 Ų | 51 | 99.2 Ų | 99.2 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | trans | -77.1 | 141.5 | -179 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | R20 G28 | R20-S26 PolarHBondContact NH2-O 3.32Å; S26-G28 VanDerWaalsContact C-N 3.28Å; S26-G28 PolarHBondContact O-N 3.43Å | ||
| 27 | P | 71.9 | Confident | 78.6 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -67.2 | -26.5 | 178.7 | 23.5 | -31.3 | 0 | 0 | 0 | 113.4 | R29 | P27-R29 PolarHBondContact O-N 3.29Š|
| 28 | G | 71.1 | Confident | 77.7 | Confident | 74 Ų | 74 | 108 Ų | 108 | 76% | 0.763 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -79 | -12.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116 | S26 | S26-G28 VanDerWaalsContact C-N 3.28Å; S26-G28 PolarHBondContact O-N 3.43Å |
| 29 | R | 65 | Low | 76.8 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -107.3 | 11.2 | -176 | -70.9 | -168.9 | 176.7 | -133.7 | 1 | 114.5 | P27 G31 E32 E33 | P27-R29 PolarHBondContact O-N 3.29Å; R29-G31 PolarHBondContact O-N 3.05Å; R29-E32 CarbonylContact O-C 3.54Å; R29-E32 PolarHBondContact O-N 3.41Å; R29-E33 HydrophobicContact CB-CG 4.15Å; R29-E33 WeakPolarHBondContact O-CG 3.16Å; R29-E33 PolarHBondContact O-N 3.08Å |
| 30 | A | 65.6 | Low | 75.9 | Confident | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.6 | -28.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 31 | G | 65.1 | Low | 74.6 | Confident | 85 Ų | 85 | 118.7 Ų | 118.7 | 88% | 0.876 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -13.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R29 | R29-G31 PolarHBondContact O-N 3.05Š|
| 32 | E | 68.1 | Low | 73.3 | Confident | 139 Ų | 139 | 117.8 Ų | 117.8 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -7.2 | -177.5 | -58.5 | -176.7 | 121.1 | 0 | 0 | 112.6 | R29 L34 | R29-E32 CarbonylContact O-C 3.54Å; R29-E32 PolarHBondContact O-N 3.41Å; E32-L34 PolarHBondContact O-N 3.15Å; E32-L34 VanDerWaalsContact O-N 3.17Å |
| 33 | E | 69.8 | Low | 71.7 | Confident | 56 Ų | 56 | 120.3 Ų | 120.3 | 26% | 0.262 | 66% | 0.659 | S | S | . | * | trans | -75.3 | 102.1 | 179 | -80.3 | 169 | -169.4 | 0 | 0 | 110.9 | R20 R29 | R20-E33 IonicContact CZ-OE1 3.12Å; R20-E33 IonicContact CZ-OE2 3.89Å; R20-E33 IonicContact NH1-OE2 3.72Å; R20-E33 PolarHBondContact NH1-OE2 3.09Å; R20-E33 IonicContact NH2-OE1 3.93Å; R20-E33 PolarHBondContact NH2-OE1 3.19Å; R20-E33 IonicContact NH2-OE2 2.69Å; R20-E33 PolarHBondContact NH2-OE2 3.36Å; R29-E33 HydrophobicContact CB-CG 4.15Å; R29-E33 WeakPolarHBondContact O-CG 3.16Å; R29-E33 PolarHBondContact O-N 3.08Å | ||
| 34 | L | 70.1 | Confident | 70.2 | Confident | 176 Ų | 176 | 115.2 Ų | 115.2 | 92% | 0.921 | 65% | 0.648 | S | S | * | * | trans | -78 | 126.5 | 170.2 | -58.9 | 173.3 | 0 | 0 | 0 | 109.1 | E32 | E32-L34 PolarHBondContact O-N 3.15Å; E32-L34 VanDerWaalsContact O-N 3.17Å | ||
| 35 | I | 71.6 | Confident | 68.8 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | trans | -100.8 | 142.3 | 169.5 | 60.4 | 165.1 | 0 | 0 | 0 | 110 | L37 | I35-L37 HydrophobicContact CD1-CD2 4.09Å; I35-L37 HydrophobicContact CD1-CG 4.3Å; I35-L37 HydrophobicContact CG1-CG 4.29Å; I35-L37 PolarHBondContact O-N 3.06Å | ||
| 36 | E | 74.6 | Confident | 67.6 | Low | 163 Ų | 163 | 122.3 Ų | 122.3 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | trans | -72.6 | 100.7 | 171.4 | -169 | -168 | 145.5 | 0 | 0 | 109.2 | R38 | E36-R38 PolarHBondContact O-N 3.17Š| ||
| 37 | L | 76.2 | Confident | 66.5 | Low | 129 Ų | 129 | 123.1 Ų | 123.1 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | trans | -78.6 | 104.4 | 170.4 | -74.6 | 163.9 | 0 | 0 | 0 | 108.9 | I35 V39 | I35-L37 HydrophobicContact CD1-CD2 4.09Å; I35-L37 HydrophobicContact CD1-CG 4.3Å; I35-L37 HydrophobicContact CG1-CG 4.29Å; I35-L37 PolarHBondContact O-N 3.06Å; L37-V39 HydrophobicContact CB-CG1 4.42Å; L37-V39 PolarHBondContact O-N 2.82Å | ||
| 38 | R | 72.9 | Confident | 65.6 | Low | 223 Ų | 223 | 121.7 Ų | 121.7 | 84% | 0.842 | 67% | 0.673 | S | S | * | * | trans | -67.9 | 85.5 | 169.2 | -71.7 | -175.7 | 177.9 | 173.5 | 0.7 | 110 | E36 | E36-R38 PolarHBondContact O-N 3.17Š| ||
| 39 | V | 72.9 | Confident | 64.8 | Low | 96 Ų | 96 | 120.9 Ų | 120.9 | 58% | 0.582 | 66% | 0.664 | S | S | * | * | trans | -82.9 | 132.7 | 173.9 | -73.2 | 0 | 0 | 0 | 0 | 110.2 | L37 P41 | L37-V39 HydrophobicContact CB-CG1 4.42Å; L37-V39 PolarHBondContact O-N 2.82Å; V39-P41 WeakPolarHBondContact O-CD 3.35Å | ||
| 40 | R | 72.9 | Confident | 64.5 | Low | 201 Ų | 201 | 119.4 Ų | 119.4 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | trans | -72 | 118.9 | 170.1 | -70 | 178.4 | 123.4 | 179.8 | -0.8 | 107.8 | V42 L43 S44 | R40-V42 PolarHBondContact O-N 3.35Å; R40-L43 PolarHBondContact O-N 3.03Å; R40-S44 PolarHBondContact O-N 2.78Å; R40-S44 PolarHBondContact O-OG 3.04Å | ||
| 41 | P | 62.4 | Low | 64.4 | Low | 101 Ų | 101 | 121.7 Ų | 121.7 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -58.1 | -26.7 | -172.8 | -25.1 | 32.8 | 0 | 0 | 0 | 113.9 | V39 L43 R45 | V39-P41 WeakPolarHBondContact O-CD 3.35Å; P41-L43 VanDerWaalsContact C-N 3.25Å; P41-L43 PolarHBondContact O-N 3.46Å; P41-R45 PolarHBondContact O-N 3.34Å |
| 42 | V | 61.3 | Low | 64.2 | Low | 134 Ų | 134 | 120.2 Ų | 120.2 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.2 | -27.4 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | R40 | R40-V42 PolarHBondContact O-N 3.35Å |
| 43 | L | 57.9 | Low | 64.6 | Low | 148 Ų | 148 | 118 Ų | 118 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -109.4 | -12.4 | -175.8 | -59.1 | 178.1 | 0 | 0 | 0 | 113.9 | R40 P41 | R40-L43 PolarHBondContact O-N 3.03Å; P41-L43 VanDerWaalsContact C-N 3.25Å; P41-L43 PolarHBondContact O-N 3.46Å |
| 44 | S | 56.1 | Low | 64.9 | Low | 56 Ų | 56 | 124.6 Ų | 124.6 | 39% | 0.392 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -106.7 | 0.1 | -175 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | R40 P46 | R40-S44 PolarHBondContact O-N 2.78Å; R40-S44 PolarHBondContact O-OG 3.04Å; S44-P46 WeakPolarHBondContact O-CD 3.13Å |
| 45 | R | 58.3 | Low | 65.2 | Low | 162 Ų | 162 | 119.2 Ų | 119.2 | 61% | 0.611 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.5 | 112.2 | 169.4 | -161.9 | 109.9 | 87.9 | 171.5 | 9.5 | 108.3 | P41 G47 S48 | P41-R45 PolarHBondContact O-N 3.34Å; R45-G47 PolarHBondContact O-N 3.32Å; R45-S48 PolarHBondContact NE-OG 2.9Å; R45-S48 PolarHBondContact NH2-OG 2.99Å |
| 46 | P | 59.2 | Low | 65.7 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 80% | 0.799 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -54 | 117 | 155.1 | 23.5 | -29.4 | 0 | 0 | 0 | 104.9 | S44 S48 | S44-P46 WeakPolarHBondContact O-CD 3.13Å; P46-S48 PolarHBondContact O-N 2.82Å; P46-S48 VanDerWaalsContact O-N 3.09Å |
| 47 | G | 54 | Low | 66.1 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | trans | -33.3 | 114.8 | -155.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R45 G49 | R45-G47 PolarHBondContact O-N 3.32Å; G47-G49 PolarHBondContact O-N 3.09Å | ||
| 48 | S | 52.4 | Low | 66.7 | Low | 76 Ų | 76 | 115.2 Ų | 115.2 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | trans | -73.3 | 36.2 | 171.2 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | R45 P46 T50 | R45-S48 PolarHBondContact NE-OG 2.9Å; R45-S48 PolarHBondContact NH2-OG 2.99Å; P46-S48 PolarHBondContact O-N 2.82Å; P46-S48 VanDerWaalsContact O-N 3.09Å; S48-T50 PolarHBondContact O-N 3.49Å | ||
| 49 | G | 55.3 | Low | 67.4 | Low | 56 Ų | 56 | 107.4 Ų | 107.4 | 58% | 0.577 | 61% | 0.607 | S | S | * | * | trans | -81.2 | 100.5 | 148 | 0 | 0 | 0 | 0 | 0 | 104.3 | G47 P51 | G47-G49 PolarHBondContact O-N 3.09Å; G49-P51 WeakPolarHBondContact O-CD 3.34Å | ||
| 50 | T | 59.1 | Low | 68.2 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | trans | -43.1 | 118.9 | 147 | -51.7 | 0 | 0 | 0 | 0 | 104.7 | S48 L52 | S48-T50 PolarHBondContact O-N 3.49Å; T50-L52 PolarHBondContact O-N 2.79Å | ||
| 51 | P | 61.5 | Low | 69.1 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 72% | 0.721 | 59% | 0.594 | S | S | * | * | trans | -53.5 | 112.6 | 179.2 | 18.8 | -29.2 | 0 | 0 | 0 | 105.2 | G49 | G49-P51 WeakPolarHBondContact O-CD 3.34Š| ||
| 52 | L | 61.3 | Low | 70.6 | Confident | 54 Ų | 54 | 100 Ų | 100 | 28% | 0.283 | 58% | 0.579 | S | S | . | * | trans | -57.3 | 137.4 | -179.4 | -71.9 | 153.9 | 0 | 0 | 0 | 104.7 | T50 R54 L56 E57 R60 | T50-L52 PolarHBondContact O-N 2.79Å; L52-R54 PolarHBondContact O-N 2.69Å; L52-R54 VanDerWaalsContact O-N 3.11Å; L52-L56 HydrophobicContact CB-CB 4.37Å; L52-L56 HydrophobicContact CB-CD2 4.34Å; L52-L56 HydrophobicContact CB-CG 4.4Å; L52-L56 HydrophobicContact CD2-CD2 3.38Å; L52-L56 HydrophobicContact CD2-CG 4.08Å; L52-L56 HydrophobicContact CG-CD2 4.4Å; L52-E57 HydrophobicContact CB-CG 3.72Å; L52-E57 HydrophobicContact CD1-CG 4.46Å; L52-R60 VanDerWaalsContact CD1-NH1 3.27Å | ||
| 53 | P | 77.8 | Confident | 72.2 | Confident | 93 Ų | 93 | 96 Ų | 96 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | trans | -47.6 | 130.5 | 175.5 | -27.5 | 34.2 | 0 | 0 | 0 | 108.2 | A55 L56 E57 | P53-A55 CarbonylContact O-C 3.54Å; P53-A55 PolarHBondContact O-N 3.11Å; P53-L56 WeakPolarHBondContact O-CA 3.43Å; P53-L56 WeakPolarHBondContact O-CB 3.31Å; P53-L56 PolarHBondContact O-N 3.49Å; P53-E57 PolarHBondContact O-N 3.12Å | ||
| 54 | R | 75.2 | Confident | 74 | Confident | 194 Ų | 194 | 95.2 Ų | 95.2 | 73% | 0.732 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -47.2 | -29.2 | -172.5 | -75.5 | -176.9 | 171.3 | 177.1 | -2.4 | 113.6 | L52 E57 R58 | L52-R54 PolarHBondContact O-N 2.69Å; L52-R54 VanDerWaalsContact O-N 3.11Å; R54-E57 PolarHBondContact O-N 3.46Å; R54-R58 WeakPolarHBondContact O-CG 3.41Å; R54-R58 PolarHBondContact O-N 3.42Å |
| 55 | A | 75.7 | Confident | 76 | Confident | 62 Ų | 62 | 98.1 Ų | 98.1 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.2 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P53 R58 A59 | P53-A55 CarbonylContact O-C 3.54Å; P53-A55 PolarHBondContact O-N 3.11Å; A55-R58 PolarHBondContact O-N 3.28Å; A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 3.05Å |
| 56 | L | 81.9 | Confident | 77.8 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 38% | 0.377 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.4 | -35.3 | 178.3 | -177.1 | 53.6 | 0 | 0 | 0 | 111.9 | L52 P53 R60 | L52-L56 HydrophobicContact CB-CB 4.37Å; L52-L56 HydrophobicContact CB-CD2 4.34Å; L52-L56 HydrophobicContact CB-CG 4.4Å; L52-L56 HydrophobicContact CD2-CD2 3.38Å; L52-L56 HydrophobicContact CD2-CG 4.08Å; L52-L56 HydrophobicContact CG-CD2 4.4Å; P53-L56 WeakPolarHBondContact O-CA 3.43Å; P53-L56 WeakPolarHBondContact O-CB 3.31Å; P53-L56 PolarHBondContact O-N 3.49Å; L56-R60 VanDerWaalsContact O-CG 3.31Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.39Å |
| 57 | E | 84.8 | Confident | 79.6 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 171.9 | -64.1 | -171.2 | 120.4 | 0 | 0 | 111.5 | L52 P53 R54 A59 R60 A61 | L52-E57 HydrophobicContact CB-CG 3.72Å; L52-E57 HydrophobicContact CD1-CG 4.46Å; P53-E57 PolarHBondContact O-N 3.12Å; R54-E57 PolarHBondContact O-N 3.46Å; E57-A59 PolarHBondContact O-N 2.89Å; E57-R60 PolarHBondContact O-N 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.49Å |
| 58 | R | 87 | Confident | 81.6 | Confident | 168 Ų | 168 | 98 Ų | 98 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 176.1 | -74.1 | -169.8 | -61.5 | -108.5 | 4.1 | 112.4 | R54 A55 R60 A61 G62 | R54-R58 WeakPolarHBondContact O-CG 3.41Å; R54-R58 PolarHBondContact O-N 3.42Å; A55-R58 PolarHBondContact O-N 3.28Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 2.96Å; R58-A61 PolarHBondContact O-N 3.26Å; R58-G62 PolarHBondContact O-N 3.3Å |
| 59 | A | 87.8 | Confident | 83.7 | Confident | 60 Ų | 60 | 98.6 Ų | 98.6 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A55 E57 G62 A63 | A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 3.05Å; E57-A59 PolarHBondContact O-N 2.89Å; A59-G62 PolarHBondContact O-N 3.24Å; A59-A63 WeakPolarHBondContact O-CB 3.42Å; A59-A63 PolarHBondContact O-N 2.94Å |
| 60 | R | 90.3 | Very high | 85.7 | Confident | 146 Ų | 146 | 100.6 Ų | 100.6 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 175.7 | -73.3 | 176 | -179.3 | -165.5 | 1.4 | 112.3 | L52 L56 E57 R58 A63 K64 | L52-R60 VanDerWaalsContact CD1-NH1 3.27Å; L56-R60 VanDerWaalsContact O-CG 3.31Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.39Å; E57-R60 PolarHBondContact O-N 3.32Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 2.96Å; R60-A63 PolarHBondContact O-N 3.37Å; R60-K64 PolarHBondContact O-N 3.12Å |
| 61 | A | 91.9 | Very high | 87.5 | Confident | 61 Ų | 61 | 103.2 Ų | 103.2 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E57 R58 K64 M65 | E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.49Å; R58-A61 PolarHBondContact O-N 3.26Å; A61-K64 PolarHBondContact O-N 2.94Å; A61-M65 WeakPolarHBondContact O-CB 3.39Å; A61-M65 PolarHBondContact O-N 3.48Å |
| 62 | G | 93.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 101.4 Ų | 101.4 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R58 A59 K64 M65 Q66 | R58-G62 PolarHBondContact O-N 3.3Å; A59-G62 PolarHBondContact O-N 3.24Å; G62-K64 VanDerWaalsContact C-N 3.31Å; G62-K64 PolarHBondContact O-N 3.36Å; G62-M65 PolarHBondContact O-N 3.32Å; G62-Q66 PolarHBondContact O-N 2.9Å |
| 63 | A | 95.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 101.3 Ų | 101.3 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A59 R60 R67 | A59-A63 WeakPolarHBondContact O-CB 3.42Å; A59-A63 PolarHBondContact O-N 2.94Å; R60-A63 PolarHBondContact O-N 3.37Å; A63-R67 WeakPolarHBondContact O-CG 3.37Å; A63-R67 PolarHBondContact O-N 3.01Å |
| 64 | K | 96.4 | Very high | 91.5 | Very high | 131 Ų | 131 | 103.8 Ų | 103.8 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -47.5 | 174.5 | -175.4 | -176.9 | 176.4 | -65.5 | 0 | 111.1 | R60 A61 G62 Q66 R67 D68 | R60-K64 PolarHBondContact O-N 3.12Å; A61-K64 PolarHBondContact O-N 2.94Å; G62-K64 VanDerWaalsContact C-N 3.31Å; G62-K64 PolarHBondContact O-N 3.36Å; K64-Q66 VanDerWaalsContact C-N 3.32Å; K64-Q66 PolarHBondContact O-N 3.17Å; K64-R67 PolarHBondContact O-N 3.44Å; K64-D68 IonicContact NZ-OD2 2.77Å; K64-D68 PolarHBondContact NZ-OD2 3.48Å; K64-D68 PolarHBondContact O-N 3.03Å |
| 65 | M | 96.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 179.6 | -172 | 179 | 76.7 | 0 | 0 | 111.7 | A61 G62 R67 D68 I69 | A61-M65 WeakPolarHBondContact O-CB 3.39Å; A61-M65 PolarHBondContact O-N 3.48Å; G62-M65 PolarHBondContact O-N 3.32Å; M65-R67 VanDerWaalsContact C-N 3.34Å; M65-R67 PolarHBondContact O-N 2.77Å; M65-D68 PolarHBondContact O-N 3.45Å; M65-D68 VanDerWaalsContact O-N 3.17Å; M65-I69 HydrophobicContact CG-CD1 4.13Å; M65-I69 VanDerWaalsContact O-CG1 3.32Å; M65-I69 WeakPolarHBondContact O-CG1 3.39Å; M65-I69 PolarHBondContact O-N 3.1Å |
| 66 | Q | 96.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 103.4 Ų | 103.4 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 178.4 | -173.7 | 58.7 | 36 | 0 | 0 | 112.2 | G62 K64 I69 E70 | G62-Q66 PolarHBondContact O-N 2.9Å; K64-Q66 VanDerWaalsContact C-N 3.32Å; K64-Q66 PolarHBondContact O-N 3.17Å; Q66-I69 WeakPolarHBondContact O-CB 3.46Å; Q66-I69 PolarHBondContact O-N 3.47Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.5Å; Q66-E70 PolarHBondContact NE2-OE1 3.36Å; Q66-E70 VanDerWaalsContact NE2-OE1 3.15Å; Q66-E70 WeakPolarHBondContact O-CG 3.38Å; Q66-E70 PolarHBondContact O-N 2.92Å |
| 67 | R | 97.3 | Very high | 93.7 | Very high | 180 Ų | 180 | 103.3 Ų | 103.3 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 174.8 | -69.4 | 173.8 | -177.6 | -175.9 | -0 | 112.4 | A63 K64 M65 I69 E70 R71 | A63-R67 WeakPolarHBondContact O-CG 3.37Å; A63-R67 PolarHBondContact O-N 3.01Å; K64-R67 PolarHBondContact O-N 3.44Å; M65-R67 VanDerWaalsContact C-N 3.34Å; M65-R67 PolarHBondContact O-N 2.77Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-E70 PolarHBondContact O-N 3.14Å; R67-R71 VanDerWaalsContact O-CB 3.28Å; R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 PolarHBondContact O-N 2.99Å |
| 68 | D | 96.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.6 | -69.2 | -23.7 | 0 | 0 | 0 | 110.2 | K64 M65 R71 E72 | K64-D68 IonicContact NZ-OD2 2.77Å; K64-D68 PolarHBondContact NZ-OD2 3.48Å; K64-D68 PolarHBondContact O-N 3.03Å; M65-D68 PolarHBondContact O-N 3.45Å; M65-D68 VanDerWaalsContact O-N 3.17Å; D68-R71 PolarHBondContact O-N 3.16Å; D68-E72 PolarHBondContact O-N 3.25Å |
| 69 | I | 96.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 101.4 Ų | 101.4 | 45% | 0.451 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -51.6 | 173.6 | -68.6 | 164.4 | 0 | 0 | 0 | 111.1 | M65 Q66 R67 R71 E72 A73 | M65-I69 HydrophobicContact CG-CD1 4.13Å; M65-I69 VanDerWaalsContact O-CG1 3.32Å; M65-I69 WeakPolarHBondContact O-CG1 3.39Å; M65-I69 PolarHBondContact O-N 3.1Å; Q66-I69 WeakPolarHBondContact O-CB 3.46Å; Q66-I69 PolarHBondContact O-N 3.47Å; R67-I69 VanDerWaalsContact C-N 3.32Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.13Å; I69-E72 PolarHBondContact O-N 3.36Å; I69-E72 VanDerWaalsContact O-N 3.16Å; I69-A73 WeakPolarHBondContact O-CB 3.32Å; I69-A73 PolarHBondContact O-N 3.47Å |
| 70 | E | 97.1 | Very high | 92.4 | Very high | 97 Ų | 97 | 105.3 Ų | 105.3 | 45% | 0.453 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -41.8 | 179.8 | -74.7 | 164 | -168.2 | 0 | 0 | 111.4 | Q66 R67 A73 H74 | Q66-E70 WeakPolarHBondContact CG-OE1 3.5Å; Q66-E70 PolarHBondContact NE2-OE1 3.36Å; Q66-E70 VanDerWaalsContact NE2-OE1 3.15Å; Q66-E70 WeakPolarHBondContact O-CG 3.38Å; Q66-E70 PolarHBondContact O-N 2.92Å; R67-E70 PolarHBondContact O-N 3.14Å; E70-A73 PolarHBondContact O-N 2.87Å; E70-H74 PolarHBondContact O-CD2 3.47Å; E70-H74 PolarHBondContact O-N 3.44Å |
| 71 | R | 96.3 | Very high | 92.5 | Very high | 175 Ų | 175 | 103.3 Ų | 103.3 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 177 | -171.7 | 178.4 | -178.4 | -175 | 0.8 | 112.2 | R67 D68 I69 R75 | R67-R71 VanDerWaalsContact O-CB 3.28Å; R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 PolarHBondContact O-N 2.99Å; D68-R71 PolarHBondContact O-N 3.16Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.13Å; R71-R75 PolarHBondContact O-N 2.96Å |
| 72 | E | 94.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 105.5 Ų | 105.5 | 35% | 0.346 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.4 | -39.4 | 176.6 | -164.6 | 62 | -144 | 0 | 0 | 111.4 | D68 I69 H74 R75 Q76 | D68-E72 PolarHBondContact O-N 3.25Å; I69-E72 PolarHBondContact O-N 3.36Å; I69-E72 VanDerWaalsContact O-N 3.16Å; E72-H74 PolarHBondContact O-N 2.71Å; E72-R75 VanDerWaalsContact CD-NH1 3.31Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 2.88Å; E72-R75 VanDerWaalsContact O-N 3.14Å; E72-R75 IonicContact OE1-CZ 3.72Å; E72-R75 IonicContact OE1-NH1 3.37Å; E72-R75 PolarHBondContact OE1-NH1 3.02Å; E72-R75 VanDerWaalsContact OE1-NH1 3.12Å; E72-R75 IonicContact OE2-CZ 3.61Å; E72-R75 VanDerWaalsContact OE2-CZ 3.24Å; E72-R75 IonicContact OE2-NE 3.16Å; E72-R75 IonicContact OE2-NH1 2.68Å; E72-R75 PolarHBondContact OE2-NH1 3.15Å; E72-R75 IonicContact OE2-NH2 2.85Å; E72-Q76 WeakPolarHBondContact O-CG 3.49Å; E72-Q76 PolarHBondContact O-N 3.19Å |
| 73 | A | 95.8 | Very high | 92.5 | Very high | 52 Ų | 52 | 109.4 Ų | 109.4 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.6 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I69 E70 R75 Q76 A77 | I69-A73 WeakPolarHBondContact O-CB 3.32Å; I69-A73 PolarHBondContact O-N 3.47Å; E70-A73 PolarHBondContact O-N 2.87Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 3.35Å; A73-Q76 PolarHBondContact O-N 3.26Å; A73-A77 WeakPolarHBondContact O-CB 3.43Å; A73-A77 PolarHBondContact O-N 2.92Å |
| 74 | H | 94.9 | Very high | 92.4 | Very high | 144 Ų | 144 | 112.9 Ų | 112.9 | 67% | 0.667 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.6 | -39.3 | 173.2 | -81.4 | -61 | 0 | 0 | 0 | 112.6 | E70 E72 A77 A78 | E70-H74 PolarHBondContact O-CD2 3.47Å; E70-H74 PolarHBondContact O-N 3.44Å; E72-H74 PolarHBondContact O-N 2.71Å; H74-A77 PolarHBondContact O-N 2.82Å; H74-A78 PolarHBondContact O-N 3.39Å; H74-A78 VanDerWaalsContact O-N 3.1Å |
| 75 | R | 94.4 | Very high | 92.1 | Very high | 125 Ų | 125 | 111.8 Ų | 111.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.3 | -47.1 | 175.5 | -174 | -168.1 | -67 | 155.9 | 2.3 | 111.2 | R71 E72 A73 A77 A78 L79 | R71-R75 PolarHBondContact O-N 2.96Å; E72-R75 VanDerWaalsContact CD-NH1 3.31Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 2.88Å; E72-R75 VanDerWaalsContact O-N 3.14Å; E72-R75 IonicContact OE1-CZ 3.72Å; E72-R75 IonicContact OE1-NH1 3.37Å; E72-R75 PolarHBondContact OE1-NH1 3.02Å; E72-R75 VanDerWaalsContact OE1-NH1 3.12Å; E72-R75 IonicContact OE2-CZ 3.61Å; E72-R75 VanDerWaalsContact OE2-CZ 3.24Å; E72-R75 IonicContact OE2-NE 3.16Å; E72-R75 IonicContact OE2-NH1 2.68Å; E72-R75 PolarHBondContact OE2-NH1 3.15Å; E72-R75 IonicContact OE2-NH2 2.85Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 3.35Å; R75-A77 VanDerWaalsContact C-N 3.32Å; R75-A77 PolarHBondContact O-N 3.41Å; R75-A78 PolarHBondContact O-N 2.96Å; R75-L79 HydrophobicContact CG-CD1 4.12Å; R75-L79 WeakPolarHBondContact O-CG 3.45Å; R75-L79 PolarHBondContact O-N 3.32Å |
| 76 | Q | 92.5 | Very high | 91.8 | Very high | 124 Ų | 124 | 111.3 Ų | 111.3 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61 | -42.4 | 178.4 | -72 | 176.8 | -5.9 | 0 | 0 | 111.5 | E72 A73 A78 L79 A80 | E72-Q76 WeakPolarHBondContact O-CG 3.49Å; E72-Q76 PolarHBondContact O-N 3.19Å; A73-Q76 PolarHBondContact O-N 3.26Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 2.94Å; Q76-L79 PolarHBondContact O-N 2.85Å; Q76-L79 VanDerWaalsContact O-N 3.13Å; Q76-A80 PolarHBondContact O-N 2.94Å |
| 77 | A | 90.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 112.6 Ų | 112.6 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64 | -29.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A73 H74 R75 L79 | A73-A77 WeakPolarHBondContact O-CB 3.43Å; A73-A77 PolarHBondContact O-N 2.92Å; H74-A77 PolarHBondContact O-N 2.82Å; R75-A77 VanDerWaalsContact C-N 3.32Å; R75-A77 PolarHBondContact O-N 3.41Å; A77-L79 VanDerWaalsContact C-N 3.33Å |
| 78 | A | 86.6 | Confident | 91 | Very high | 84 Ų | 84 | 107.5 Ų | 107.5 | 69% | 0.694 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.3 | -13.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H74 R75 Q76 | H74-A78 PolarHBondContact O-N 3.39Å; H74-A78 VanDerWaalsContact O-N 3.1Å; R75-A78 PolarHBondContact O-N 2.96Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 2.94Å |
| 79 | L | 81.8 | Confident | 90.6 | Very high | 146 Ų | 146 | 110 Ų | 110 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -99.8 | -5.8 | 178 | -67.4 | 171.7 | 0 | 0 | 0 | 112.8 | R75 Q76 A77 | R75-L79 HydrophobicContact CG-CD1 4.12Å; R75-L79 WeakPolarHBondContact O-CG 3.45Å; R75-L79 PolarHBondContact O-N 3.32Å; Q76-L79 PolarHBondContact O-N 2.85Å; Q76-L79 VanDerWaalsContact O-N 3.13Å; A77-L79 VanDerWaalsContact C-N 3.33Å |
| 80 | A | 65.1 | Low | 90 | Very high | 142 Ų | 142 | 112 Ų | 112 | 100% | 1.174 | 62% | 0.619 | S | S | * | * | trans | -97.8 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q76 | Q76-A80 PolarHBondContact O-N 2.94Š|
Retrieved 80 of 80 residues in 321.7 ms
(Link to these results)