| 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 | 62.4 | Low | 89.5 | Confident | 214 Ų | 214 | 128.6 Ų | 128.6 | 100% | 1.054 | 62% | 0.622 | S | S | * | * | 0 | -17.4 | 0 | -91.9 | 160.2 | 177 | 0 | 0 | 114.6 | |||||
| 2 | T | 77 | Confident | 90.3 | Very high | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.7 | -37.7 | -175.2 | 32.2 | 0 | 0 | 0 | 0 | 116 | K4 V5 F6 | T2-K4 PolarHBondContact O-N 2.73Å; T2-V5 PolarHBondContact O-N 3.14Å; T2-F6 PolarHBondContact O-N 3.06Å |
| 3 | R | 85.4 | Confident | 90.9 | Very high | 214 Ų | 214 | 135.3 Ų | 135.3 | 81% | 0.808 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64 | -38.6 | -179.8 | -174.9 | -176.7 | -81.9 | 170.6 | -4.9 | 113.4 | T7 | R3-T7 WeakPolarHBondContact O-CB 3.34Å; R3-T7 PolarHBondContact O-N 3.31Å; R3-T7 PolarHBondContact O-OG1 2.73Å; R3-T7 VanDerWaalsContact O-OG1 3.08Å |
| 4 | K | 89.2 | Confident | 91.4 | Very high | 177 Ų | 177 | 134.1 Ų | 134.1 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -41.6 | 178.9 | -72.3 | -176.4 | 176.1 | -179.8 | 0 | 111.2 | T2 T7 N8 | T2-K4 PolarHBondContact O-N 2.73Å; K4-T7 PolarHBondContact O-N 2.95Å; K4-N8 WeakPolarHBondContact O-CB 3.42Å; K4-N8 PolarHBondContact O-N 3.11Å |
| 5 | V | 92.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 129.9 Ų | 129.9 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -50.2 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | T2 T7 N8 T9 | T2-V5 PolarHBondContact O-N 3.14Å; V5-T7 VanDerWaalsContact C-N 3.33Å; V5-T7 PolarHBondContact O-N 3.3Å; V5-N8 PolarHBondContact O-N 3.05Å; V5-T9 PolarHBondContact O-N 3.48Å; V5-T9 PolarHBondContact O-OG1 3.16Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å |
| 6 | F | 92.6 | Very high | 92.3 | Very high | 142 Ų | 142 | 128.8 Ų | 128.8 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.5 | -43.4 | 178.5 | -179.1 | -100.8 | 0 | 0 | 0 | 112.7 | T2 T9 R10 | T2-F6 PolarHBondContact O-N 3.06Å; F6-T9 PolarHBondContact O-N 3.47Å; F6-R10 PolarHBondContact O-N 3.32Å |
| 7 | T | 95.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 125.1 Ų | 125.1 | 37% | 0.368 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | R3 K4 V5 R10 E11 | R3-T7 WeakPolarHBondContact O-CB 3.34Å; R3-T7 PolarHBondContact O-N 3.31Å; R3-T7 PolarHBondContact O-OG1 2.73Å; R3-T7 VanDerWaalsContact O-OG1 3.08Å; K4-T7 PolarHBondContact O-N 2.95Å; V5-T7 VanDerWaalsContact C-N 3.33Å; V5-T7 PolarHBondContact O-N 3.3Å; T7-R10 PolarHBondContact O-N 3.32Å; T7-E11 PolarHBondContact O-N 3.36Å |
| 8 | N | 96.9 | Very high | 93 | Very high | 94 Ų | 94 | 121 Ų | 121 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.3 | -45.5 | 175.9 | -169.9 | -71.9 | 0 | 0 | 0 | 111.6 | K4 V5 R10 E11 R12 | K4-N8 WeakPolarHBondContact O-CB 3.42Å; K4-N8 PolarHBondContact O-N 3.11Å; V5-N8 PolarHBondContact O-N 3.05Å; N8-R10 VanDerWaalsContact C-N 3.31Å; N8-R10 PolarHBondContact O-N 2.97Å; N8-E11 PolarHBondContact O-N 3.06Å; N8-R12 WeakPolarHBondContact O-CB 3.44Å; N8-R12 PolarHBondContact O-N 2.99Å |
| 9 | T | 97.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 118.4 Ų | 118.4 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.7 | -44.4 | 177 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | V5 F6 R12 W13 | V5-T9 PolarHBondContact O-N 3.48Å; V5-T9 PolarHBondContact O-OG1 3.16Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å; F6-T9 PolarHBondContact O-N 3.47Å; T9-R12 PolarHBondContact O-N 3.46Å; T9-W13 PolarHBondContact O-N 3.24Å |
| 10 | R | 97.9 | Very high | 93.6 | Very high | 131 Ų | 131 | 115.4 Ų | 115.4 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.7 | -170.4 | 176.5 | 72.1 | -104.5 | 2.8 | 112.3 | F6 T7 N8 R12 W13 R14 | F6-R10 PolarHBondContact O-N 3.32Å; T7-R10 PolarHBondContact O-N 3.32Å; N8-R10 VanDerWaalsContact C-N 3.31Å; N8-R10 PolarHBondContact O-N 2.97Å; R10-R12 VanDerWaalsContact C-N 3.33Å; R10-R12 PolarHBondContact O-N 3.44Å; R10-W13 PolarHBondContact O-N 2.97Å; R10-R14 PolarHBondContact O-N 3.27Å |
| 11 | E | 98.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 112.9 Ų | 112.9 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 178.4 | 178.4 | 54.8 | -160.7 | 0 | 0 | 111.7 | T7 N8 W13 R14 Q15 | T7-E11 PolarHBondContact O-N 3.36Å; N8-E11 PolarHBondContact O-N 3.06Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.1Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.23Å; E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NE 2.67Å; E11-R14 PolarHBondContact OE1-NE 3.43Å; E11-R14 IonicContact OE1-NH2 2.76Å; E11-R14 PolarHBondContact OE1-NH2 2.94Å; E11-R14 IonicContact OE2-CZ 2.82Å; E11-R14 IonicContact OE2-NE 2.89Å; E11-R14 PolarHBondContact OE2-NE 2.78Å; E11-R14 IonicContact OE2-NH2 3.69Å; E11-Q15 HydrophobicContact CG-CG 4.45Å; E11-Q15 VanDerWaalsContact O-CG 3.32Å; E11-Q15 WeakPolarHBondContact O-CG 3.36Å; E11-Q15 PolarHBondContact O-N 3.25Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q15 PolarHBondContact OE1-NE2 3.48Å |
| 12 | R | 98.4 | Very high | 95.5 | Very high | 173 Ų | 173 | 104.7 Ų | 104.7 | 65% | 0.653 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.5 | -43.8 | 173.3 | -175.3 | -176.5 | -60.5 | -89.3 | -3.1 | 111.7 | N8 T9 R10 Q15 H16 | N8-R12 WeakPolarHBondContact O-CB 3.44Å; N8-R12 PolarHBondContact O-N 2.99Å; T9-R12 PolarHBondContact O-N 3.46Å; R10-R12 VanDerWaalsContact C-N 3.33Å; R10-R12 PolarHBondContact O-N 3.44Å; R12-Q15 PolarHBondContact O-N 3.36Å; R12-H16 WeakPolarHBondContact O-CB 3.41Å; R12-H16 PolarHBondContact O-N 3.34Å |
| 13 | W | 98.3 | Very high | 96.5 | Very high | 171 Ų | 171 | 101 Ų | 101 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 176.5 | -174.2 | 81 | 0 | 0 | 0 | 111.8 | T9 R10 E11 Q15 H16 N17 | T9-W13 PolarHBondContact O-N 3.24Å; R10-W13 PolarHBondContact O-N 2.97Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.1Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 2.89Å; W13-H16 WeakPolarHBondContact O-CB 3.46Å; W13-H16 PolarHBondContact O-N 2.95Å; W13-N17 WeakPolarHBondContact CH2-ND2 3.37Å; W13-N17 VanDerWaalsContact CZ2-ND2 3.33Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.37Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.48Å; W13-N17 PolarHBondContact O-N 2.89Å |
| 14 | R | 98.6 | Very high | 97.2 | Very high | 118 Ų | 118 | 95.4 Ų | 95.4 | 45% | 0.445 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.9 | -163.3 | -167.2 | 69.8 | 78.2 | -1.2 | 111.8 | R10 E11 N17 V18 | R10-R14 PolarHBondContact O-N 3.27Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.23Å; E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NE 2.67Å; E11-R14 PolarHBondContact OE1-NE 3.43Å; E11-R14 IonicContact OE1-NH2 2.76Å; E11-R14 PolarHBondContact OE1-NH2 2.94Å; E11-R14 IonicContact OE2-CZ 2.82Å; E11-R14 IonicContact OE2-NE 2.89Å; E11-R14 PolarHBondContact OE2-NE 2.78Å; E11-R14 IonicContact OE2-NH2 3.69Å; R14-N17 PolarHBondContact O-N 3.06Å; R14-V18 PolarHBondContact O-N 2.95Å |
| 15 | Q | 98.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 89.8 Ų | 89.8 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.2 | -69.2 | -70.3 | -15 | 0 | 0 | 112.4 | E11 R12 W13 V18 N19 | E11-Q15 HydrophobicContact CG-CG 4.45Å; E11-Q15 VanDerWaalsContact O-CG 3.32Å; E11-Q15 WeakPolarHBondContact O-CG 3.36Å; E11-Q15 PolarHBondContact O-N 3.25Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q15 PolarHBondContact OE1-NE2 3.48Å; R12-Q15 PolarHBondContact O-N 3.36Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 2.89Å; Q15-V18 PolarHBondContact O-N 3.14Å; Q15-N19 VanDerWaalsContact O-CG 3.23Å; Q15-N19 PolarHBondContact O-N 3.36Å; Q15-N19 PolarHBondContact O-ND2 3.18Å |
| 16 | H | 98.5 | Very high | 97.9 | Very high | 112 Ų | 112 | 87.1 Ų | 87.1 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 173.7 | 178.7 | 74.8 | 0 | 0 | 0 | 110.9 | R12 W13 V18 N19 T20 | R12-H16 WeakPolarHBondContact O-CB 3.41Å; R12-H16 PolarHBondContact O-N 3.34Å; W13-H16 WeakPolarHBondContact O-CB 3.46Å; W13-H16 PolarHBondContact O-N 2.95Å; H16-V18 VanDerWaalsContact C-N 3.31Å; H16-V18 PolarHBondContact O-N 3.42Å; H16-N19 PolarHBondContact O-N 3.46Å; H16-N19 VanDerWaalsContact O-N 3.08Å; H16-T20 PolarHBondContact O-N 3.23Å; H16-T20 PolarHBondContact O-OG1 2.67Å; H16-T20 VanDerWaalsContact O-OG1 3.11Å |
| 17 | N | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 87 Ų | 87 | 35% | 0.353 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 177.4 | -66.4 | -8.6 | 0 | 0 | 0 | 112.4 | W13 R14 T20 A21 | W13-N17 WeakPolarHBondContact CH2-ND2 3.37Å; W13-N17 VanDerWaalsContact CZ2-ND2 3.33Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.37Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.48Å; W13-N17 PolarHBondContact O-N 2.89Å; R14-N17 PolarHBondContact O-N 3.06Å; N17-T20 PolarHBondContact O-N 3.32Å; N17-A21 PolarHBondContact O-N 2.97Å |
| 18 | V | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 90.1 Ų | 90.1 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | R14 Q15 H16 T20 A21 F22 | R14-V18 PolarHBondContact O-N 2.95Å; Q15-V18 PolarHBondContact O-N 3.14Å; H16-V18 VanDerWaalsContact C-N 3.31Å; H16-V18 PolarHBondContact O-N 3.42Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.13Å; V18-A21 PolarHBondContact O-N 3.39Å; V18-F22 HydrophobicContact CG1-CD2 3.97Å; V18-F22 HydrophobicContact CG1-CE2 4.08Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.36Å |
| 19 | N | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 86 Ų | 86 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 179.4 | -68.4 | -27.1 | 0 | 0 | 0 | 112.1 | Q15 H16 F22 A23 K40 | Q15-N19 VanDerWaalsContact O-CG 3.23Å; Q15-N19 PolarHBondContact O-N 3.36Å; Q15-N19 PolarHBondContact O-ND2 3.18Å; H16-N19 PolarHBondContact O-N 3.46Å; H16-N19 VanDerWaalsContact O-N 3.08Å; N19-F22 WeakPolarHBondContact O-CB 3.35Å; N19-F22 PolarHBondContact O-N 3.37Å; N19-A23 PolarHBondContact O-N 3.32Å; N19-K40 WeakPolarHBondContact OD1-CE 3.46Å; N19-K40 PolarHBondContact OD1-NZ 3.5Å |
| 20 | T | 98.6 | Very high | 98.3 | Very high | 59 Ų | 59 | 85.4 Ų | 85.4 | 36% | 0.362 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.3 | -58 | 0 | 0 | 0 | 0 | 111 | H16 N17 V18 F22 A23 E24 | H16-T20 PolarHBondContact O-N 3.23Å; H16-T20 PolarHBondContact O-OG1 2.67Å; H16-T20 VanDerWaalsContact O-OG1 3.11Å; N17-T20 PolarHBondContact O-N 3.32Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.13Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.29Å; T20-A23 WeakPolarHBondContact O-CB 3.32Å; T20-A23 PolarHBondContact O-N 3.27Å; T20-E24 PolarHBondContact O-N 2.96Å |
| 21 | A | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 80.8 Ų | 80.8 | 51% | 0.512 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N17 V18 A23 E24 L25 | N17-A21 PolarHBondContact O-N 2.97Å; V18-A21 PolarHBondContact O-N 3.39Å; A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.07Å; A21-E24 PolarHBondContact O-N 3.34Å; A21-L25 WeakPolarHBondContact O-CB 3.3Å; A21-L25 PolarHBondContact O-N 3.48Å |
| 22 | F | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 85.6 Ų | 85.6 | 18% | 0.184 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 172.7 | -97 | -85.2 | 0 | 0 | 0 | 112.5 | V18 N19 T20 R26 K40 I43 L44 | V18-F22 HydrophobicContact CG1-CD2 3.97Å; V18-F22 HydrophobicContact CG1-CE2 4.08Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.36Å; N19-F22 WeakPolarHBondContact O-CB 3.35Å; N19-F22 PolarHBondContact O-N 3.37Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.29Å; F22-R26 WeakPolarHBondContact O-CB 3.44Å; F22-R26 PolarHBondContact O-N 2.82Å; F22-K40 HydrophobicContact CD1-CB 4.17Å; F22-K40 HydrophobicContact CD1-CG 3.96Å; F22-K40 HydrophobicContact CE1-CB 3.65Å; F22-K40 HydrophobicContact CE1-CD 4.45Å; F22-K40 HydrophobicContact CE1-CG 3.87Å; F22-K40 HydrophobicContact CE2-CD 4.34Å; F22-K40 HydrophobicContact CG-CG 4.37Å; F22-K40 HydrophobicContact CZ-CB 4.03Å; F22-K40 HydrophobicContact CZ-CD 4.29Å; F22-K40 HydrophobicContact CZ-CG 4.2Å; F22-I43 HydrophobicContact CD1-CB 4.27Å; F22-I43 HydrophobicContact CD1-CD1 4.07Å; F22-I43 HydrophobicContact CD1-CG2 3.93Å; F22-I43 HydrophobicContact CE1-CB 4.42Å; F22-I43 HydrophobicContact CE1-CG2 4.24Å; F22-L44 HydrophobicContact CE1-CD2 4.12Å; F22-L44 HydrophobicContact CE1-CG 4.05Å; F22-L44 HydrophobicContact CZ-CD1 4.32Å; F22-L44 HydrophobicContact CZ-CD2 4.11Å; F22-L44 HydrophobicContact CZ-CG 4.21Å |
| 23 | A | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 80 Ų | 80 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N19 T20 A21 R26 K27 | N19-A23 PolarHBondContact O-N 3.32Å; T20-A23 WeakPolarHBondContact O-CB 3.32Å; T20-A23 PolarHBondContact O-N 3.27Å; A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.07Å; A23-R26 WeakPolarHBondContact O-CB 3.38Å; A23-R26 PolarHBondContact O-N 3.47Å; A23-K27 WeakPolarHBondContact O-CG 3.34Å; A23-K27 PolarHBondContact O-N 3.31Å |
| 24 | E | 98.5 | Very high | 97.5 | Very high | 96 Ų | 96 | 76.3 Ų | 76.3 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 173.9 | -65.2 | -49.5 | 132.4 | 0 | 0 | 111.6 | T20 A21 R26 K27 | T20-E24 PolarHBondContact O-N 2.96Å; A21-E24 PolarHBondContact O-N 3.34Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.25Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.94Å; E24-K27 VanDerWaalsContact O-N 3.15Å; E24-K27 IonicContact OE1-NZ 3.46Å; E24-K27 PolarHBondContact OE1-NZ 3.15Å; E24-K27 IonicContact OE2-NZ 3.71Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å |
| 25 | L | 98.5 | Very high | 97.2 | Very high | 58 Ų | 58 | 77.6 Ų | 77.6 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.1 | -179.1 | 58.7 | 0 | 0 | 0 | 111.9 | A21 K27 L28 I43 A47 | A21-L25 WeakPolarHBondContact O-CB 3.3Å; A21-L25 PolarHBondContact O-N 3.48Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.24Å; L25-I43 HydrophobicContact CB-CG2 4.34Å; L25-I43 HydrophobicContact CD2-CG2 3.66Å; L25-I43 HydrophobicContact CG-CG2 3.83Å; L25-A47 HydrophobicContact CD1-CB 4.02Å; L25-A47 HydrophobicContact CD2-CB 4.24Å; L25-A47 HydrophobicContact CG-CB 4.38Å |
| 26 | R | 98.1 | Very high | 97 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 177.6 | 171.6 | 61.1 | -172.7 | 85.3 | -1.1 | 112.5 | F22 A23 E24 L28 I29 T31 P34 K36 L38 I43 | F22-R26 WeakPolarHBondContact O-CB 3.44Å; F22-R26 PolarHBondContact O-N 2.82Å; A23-R26 WeakPolarHBondContact O-CB 3.38Å; A23-R26 PolarHBondContact O-N 3.47Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.25Å; R26-L28 PolarHBondContact O-N 3.22Å; R26-I29 PolarHBondContact NH1-O 3.33Å; R26-I29 PolarHBondContact O-N 3.22Å; R26-T31 PolarHBondContact NH2-OG1 3.41Å; R26-P34 PolarHBondContact NH2-O 2.77Å; R26-K36 PolarHBondContact NE-O 3.42Å; R26-K36 PolarHBondContact NH2-O 2.91Å; R26-L38 VanDerWaalsContact CD-CD1 3.48Å; R26-I43 HydrophobicContact CB-CD1 4.05Å; R26-I43 HydrophobicContact CB-CG1 4.43Å |
| 27 | K | 97.7 | Very high | 96.9 | Very high | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.609 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -28 | -179.9 | -65.6 | 172.2 | -170 | 168.5 | 0 | 112.6 | A23 E24 L25 I29 | A23-K27 WeakPolarHBondContact O-CG 3.34Å; A23-K27 PolarHBondContact O-N 3.31Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.94Å; E24-K27 VanDerWaalsContact O-N 3.15Å; E24-K27 IonicContact OE1-NZ 3.46Å; E24-K27 PolarHBondContact OE1-NZ 3.15Å; E24-K27 IonicContact OE2-NZ 3.71Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.23Å; K27-I29 VanDerWaalsContact C-N 3.35Å |
| 28 | L | 98.1 | Very high | 96.8 | Very high | 124 Ų | 124 | 81 Ų | 81 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.3 | 179.8 | -57 | 176.9 | 0 | 0 | 0 | 113.2 | L25 R26 P30 Y50 | L25-L28 PolarHBondContact O-N 3.24Å; R26-L28 PolarHBondContact O-N 3.22Å; L28-P30 WeakPolarHBondContact O-CD 3.43Å; L28-Y50 WeakPolarHBondContact O-CE1 3.47Å |
| 29 | I | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 81.2 Ų | 81.2 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -88.1 | 120.4 | -177.2 | -65.4 | 171.3 | 0 | 0 | 0 | 109.8 | R26 K27 T31 L38 I43 L46 A47 | R26-I29 PolarHBondContact NH1-O 3.33Å; R26-I29 PolarHBondContact O-N 3.22Å; K27-I29 VanDerWaalsContact C-N 3.35Å; I29-T31 HydrophobicContact CG2-CG2 4.15Å; I29-T31 PolarHBondContact O-N 3.43Å; I29-L38 HydrophobicContact CG2-CD1 4.24Å; I29-I43 HydrophobicContact CD1-CB 4.16Å; I29-I43 HydrophobicContact CD1-CG1 4.44Å; I29-I43 HydrophobicContact CD1-CG2 3.74Å; I29-I43 VanDerWaalsContact CD1-O 3.25Å; I29-I43 WeakPolarHBondContact CD1-O 3.32Å; I29-L46 HydrophobicContact CD1-CB 4.11Å; I29-L46 HydrophobicContact CG2-CB 3.63Å; I29-L46 HydrophobicContact CG2-CD1 4.11Å; I29-L46 HydrophobicContact CG2-CG 4.31Å; I29-A47 HydrophobicContact CD1-CB 4.22Å |
| 30 | P | 97.3 | Very high | 96.8 | Very high | 74 Ų | 74 | 82.5 Ų | 82.5 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -68.9 | 127.3 | 176.2 | -11.4 | 24.8 | 0 | 0 | 0 | 111.3 | L28 Y50 | L28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-Y50 HydrophobicContact CG-CD1 4.24Å; P30-Y50 HydrophobicContact CG-CD2 3.73Å; P30-Y50 HydrophobicContact CG-CE1 3.94Å; P30-Y50 HydrophobicContact CG-CE2 3.41Å; P30-Y50 VanDerWaalsContact CG-CE2 3.41Å; P30-Y50 HydrophobicContact CG-CG 4.15Å | ||
| 31 | T | 96.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 83.3 Ų | 83.3 | 20% | 0.202 | 43% | 0.433 | C | S | . | . | trans | -142.7 | 155.5 | 174.2 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | R26 I29 P33 P34 L38 | R26-T31 PolarHBondContact NH2-OG1 3.41Å; I29-T31 HydrophobicContact CG2-CG2 4.15Å; I29-T31 PolarHBondContact O-N 3.43Å; T31-P33 CarbonylContact C-O 3.52Å; T31-P33 CarbonylContact O-C 3.41Å; T31-P33 PolarHBondContact OG1-O 3.4Å; T31-P34 PolarHBondContact OG1-O 3.14Å; T31-L38 HydrophobicContact CG2-CD1 4.05Å | ||
| 32 | H | 93.9 | Very high | 96.6 | Very high | 181 Ų | 181 | 84 Ų | 84 | 84% | 0.838 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -120.3 | 122.4 | 166.1 | -170.7 | 71.6 | 0 | 0 | 0 | 109.5 | ||
| 33 | P | 94.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 82.4 Ų | 82.4 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | S | Bend | cis | -68.5 | 161.7 | -9.2 | 32.5 | -37 | 0 | 0 | 0 | 112.5 | T31 E35 K36 | T31-P33 CarbonylContact C-O 3.52Å; T31-P33 CarbonylContact O-C 3.41Å; T31-P33 PolarHBondContact OG1-O 3.4Å; P33-E35 HydrophobicContact CB-CG 4.49Å; P33-E35 WeakPolarHBondContact CB-OE1 3.42Å; P33-E35 PolarHBondContact O-N 2.89Å; P33-K36 WeakPolarHBondContact O-CB 3.45Å; P33-K36 PolarHBondContact O-N 2.71Å; P33-K36 VanDerWaalsContact O-N 3.14Å |
| 34 | P | 91.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 84 Ų | 84 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -33.5 | 179.6 | -26.8 | 35.2 | 0 | 0 | 0 | 114 | R26 T31 K36 | R26-P34 PolarHBondContact NH2-O 2.77Å; T31-P34 PolarHBondContact OG1-O 3.14Å; P34-K36 VanDerWaalsContact C-N 3.3Å; P34-K36 PolarHBondContact O-N 2.95Å |
| 35 | E | 91.5 | Very high | 96.4 | Very high | 144 Ų | 144 | 85.9 Ų | 85.9 | 67% | 0.673 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 7.5 | -178.4 | 65.3 | -82.9 | -173.1 | 0 | 0 | 114.3 | P33 K37 | P33-E35 HydrophobicContact CB-CG 4.49Å; P33-E35 WeakPolarHBondContact CB-OE1 3.42Å; P33-E35 PolarHBondContact O-N 2.89Å; E35-K37 PolarHBondContact O-N 3.22Å; E35-K37 VanDerWaalsContact O-N 3.1Å |
| 36 | K | 95.7 | Very high | 96.2 | Very high | 96 Ų | 96 | 84.9 Ų | 84.9 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | trans | -52.4 | 120.2 | 177.1 | -179.9 | -177.7 | 169 | 77.9 | 0 | 110.6 | R26 P33 P34 L38 | R26-K36 PolarHBondContact NE-O 3.42Å; R26-K36 PolarHBondContact NH2-O 2.91Å; P33-K36 WeakPolarHBondContact O-CB 3.45Å; P33-K36 PolarHBondContact O-N 2.71Å; P33-K36 VanDerWaalsContact O-N 3.14Å; P34-K36 VanDerWaalsContact C-N 3.3Å; P34-K36 PolarHBondContact O-N 2.95Å; K36-L38 HydrophobicContact CD-CD2 3.82Å; K36-L38 HydrophobicContact CG-CD2 3.98Å; K36-L38 PolarHBondContact O-N 2.86Å | ||
| 37 | K | 96.6 | Very high | 96.2 | Very high | 200 Ų | 200 | 83.6 Ų | 83.6 | 87% | 0.87 | 42% | 0.416 | S | S | * | . | trans | -68.1 | 124.4 | 172.9 | -65.5 | -176.7 | 179 | 177 | 0 | 109.2 | E35 | E35-K37 PolarHBondContact O-N 3.22Å; E35-K37 VanDerWaalsContact O-N 3.1Å | ||
| 38 | L | 96.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 80.5 Ų | 80.5 | 13% | 0.131 | 41% | 0.405 | C | S | . | . | trans | -113.8 | 139.4 | 177.4 | -61.2 | -176.4 | 0 | 0 | 0 | 109.7 | R26 I29 T31 K36 E42 I43 L46 | R26-L38 VanDerWaalsContact CD-CD1 3.48Å; I29-L38 HydrophobicContact CG2-CD1 4.24Å; T31-L38 HydrophobicContact CG2-CD1 4.05Å; K36-L38 HydrophobicContact CD-CD2 3.82Å; K36-L38 HydrophobicContact CG-CD2 3.98Å; K36-L38 PolarHBondContact O-N 2.86Å; L38-E42 HydrophobicContact CB-CB 4.28Å; L38-E42 HydrophobicContact CD2-CB 4.47Å; L38-I43 HydrophobicContact CB-CD1 4.28Å; L38-I43 HydrophobicContact CB-CG1 3.68Å; L38-I43 HydrophobicContact CD1-CG1 4.14Å; L38-L46 HydrophobicContact CD1-CD1 3.57Å; L38-L46 HydrophobicContact CD2-CD1 4.07Å; L38-L46 HydrophobicContact CG-CD1 4.48Å | ||
| 39 | S | 98.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 82 Ų | 82 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | trans | -68.5 | 161.1 | 167.8 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | N41 E42 I43 | S39-N41 PolarHBondContact O-N 3.46Å; S39-E42 VanDerWaalsContact CB-OE2 3.24Å; S39-E42 WeakPolarHBondContact CB-OE2 3.34Å; S39-E42 PolarHBondContact N-OE2 2.91Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CB 3.5Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.48Å; S39-E42 PolarHBondContact OG-N 3.47Å; S39-E42 PolarHBondContact OG-OE2 2.9Å; S39-I43 WeakPolarHBondContact O-CG1 3.43Å; S39-I43 PolarHBondContact O-N 2.73Å | ||
| 40 | K | 97.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 85.6 Ų | 85.6 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.6 | -41.6 | 175.6 | -69.7 | -174.4 | 175.9 | -175.9 | 0 | 112 | N19 F22 I43 L44 | N19-K40 WeakPolarHBondContact OD1-CE 3.46Å; N19-K40 PolarHBondContact OD1-NZ 3.5Å; F22-K40 HydrophobicContact CD1-CB 4.17Å; F22-K40 HydrophobicContact CD1-CG 3.96Å; F22-K40 HydrophobicContact CE1-CB 3.65Å; F22-K40 HydrophobicContact CE1-CD 4.45Å; F22-K40 HydrophobicContact CE1-CG 3.87Å; F22-K40 HydrophobicContact CE2-CD 4.34Å; F22-K40 HydrophobicContact CG-CG 4.37Å; F22-K40 HydrophobicContact CZ-CB 4.03Å; F22-K40 HydrophobicContact CZ-CD 4.29Å; F22-K40 HydrophobicContact CZ-CG 4.2Å; K40-I43 PolarHBondContact O-N 2.9Å; K40-L44 WeakPolarHBondContact O-CG 3.22Å; K40-L44 PolarHBondContact O-N 3.39Å; K40-L44 VanDerWaalsContact O-N 3.11Å |
| 41 | N | 97.2 | Very high | 95.4 | Very high | 75 Ų | 75 | 86.7 Ų | 86.7 | 40% | 0.401 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | 179.9 | -176.8 | -88.2 | 0 | 0 | 0 | 112.1 | S39 L44 R45 | S39-N41 PolarHBondContact O-N 3.46Å; N41-L44 PolarHBondContact O-N 3.04Å; N41-R45 WeakPolarHBondContact O-CG 3.44Å; N41-R45 PolarHBondContact O-N 3.05Å; N41-R45 WeakPolarHBondContact OD1-CD 3.14Å; N41-R45 PolarHBondContact OD1-NE 3.01Å; N41-R45 VanDerWaalsContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH1 3.46Å |
| 42 | E | 96.5 | Very high | 95 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 174.7 | -73.2 | 167.9 | 113 | 0 | 0 | 111.9 | L38 S39 L44 R45 L46 | L38-E42 HydrophobicContact CB-CB 4.28Å; L38-E42 HydrophobicContact CD2-CB 4.47Å; S39-E42 VanDerWaalsContact CB-OE2 3.24Å; S39-E42 WeakPolarHBondContact CB-OE2 3.34Å; S39-E42 PolarHBondContact N-OE2 2.91Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CB 3.5Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.48Å; S39-E42 PolarHBondContact OG-N 3.47Å; S39-E42 PolarHBondContact OG-OE2 2.9Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.27Å; E42-R45 PolarHBondContact O-N 2.93Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CG 3.25Å; E42-L46 PolarHBondContact O-N 3.32Å |
| 43 | I | 97.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 82.4 Ų | 82.4 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55 | -49.3 | 175.2 | -70.9 | 167.8 | 0 | 0 | 0 | 110.1 | F22 L25 R26 I29 L38 S39 K40 L46 A47 | F22-I43 HydrophobicContact CD1-CB 4.27Å; F22-I43 HydrophobicContact CD1-CD1 4.07Å; F22-I43 HydrophobicContact CD1-CG2 3.93Å; F22-I43 HydrophobicContact CE1-CB 4.42Å; F22-I43 HydrophobicContact CE1-CG2 4.24Å; L25-I43 HydrophobicContact CB-CG2 4.34Å; L25-I43 HydrophobicContact CD2-CG2 3.66Å; L25-I43 HydrophobicContact CG-CG2 3.83Å; R26-I43 HydrophobicContact CB-CD1 4.05Å; R26-I43 HydrophobicContact CB-CG1 4.43Å; I29-I43 HydrophobicContact CD1-CB 4.16Å; I29-I43 HydrophobicContact CD1-CG1 4.44Å; I29-I43 HydrophobicContact CD1-CG2 3.74Å; I29-I43 VanDerWaalsContact CD1-O 3.25Å; I29-I43 WeakPolarHBondContact CD1-O 3.32Å; L38-I43 HydrophobicContact CB-CD1 4.28Å; L38-I43 HydrophobicContact CB-CG1 3.68Å; L38-I43 HydrophobicContact CD1-CG1 4.14Å; S39-I43 WeakPolarHBondContact O-CG1 3.43Å; S39-I43 PolarHBondContact O-N 2.73Å; K40-I43 PolarHBondContact O-N 2.9Å; I43-L46 PolarHBondContact O-N 3.04Å; I43-A47 VanDerWaalsContact O-CB 3.28Å; I43-A47 WeakPolarHBondContact O-CB 3.25Å; I43-A47 PolarHBondContact O-N 3.33Å |
| 44 | L | 97.7 | Very high | 94.7 | Very high | 81 Ų | 81 | 82.9 Ų | 82.9 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 178.4 | -65.7 | 174.3 | 0 | 0 | 0 | 111.7 | F22 K40 N41 E42 L46 A47 M48 | F22-L44 HydrophobicContact CE1-CD2 4.12Å; F22-L44 HydrophobicContact CE1-CG 4.05Å; F22-L44 HydrophobicContact CZ-CD1 4.32Å; F22-L44 HydrophobicContact CZ-CD2 4.11Å; F22-L44 HydrophobicContact CZ-CG 4.21Å; K40-L44 WeakPolarHBondContact O-CG 3.22Å; K40-L44 PolarHBondContact O-N 3.39Å; K40-L44 VanDerWaalsContact O-N 3.11Å; N41-L44 PolarHBondContact O-N 3.04Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.27Å; L44-L46 PolarHBondContact O-N 3.22Å; L44-A47 PolarHBondContact O-N 3.38Å; L44-M48 WeakPolarHBondContact O-CE 3.16Å; L44-M48 WeakPolarHBondContact O-CG 3.23Å; L44-M48 PolarHBondContact O-N 3.11Å; L44-M48 VanDerWaalsContact O-N 3.14Å |
| 45 | R | 94 | Very high | 94.6 | Very high | 135 Ų | 135 | 80.3 Ų | 80.3 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | -179.3 | -73.4 | 179.7 | 174.6 | 155.3 | -3.1 | 112.8 | N41 E42 M48 R49 | N41-R45 WeakPolarHBondContact O-CG 3.44Å; N41-R45 PolarHBondContact O-N 3.05Å; N41-R45 WeakPolarHBondContact OD1-CD 3.14Å; N41-R45 PolarHBondContact OD1-NE 3.01Å; N41-R45 VanDerWaalsContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH1 3.46Å; E42-R45 PolarHBondContact O-N 2.93Å; R45-M48 HydrophobicContact CG-CE 4.33Å; R45-R49 WeakPolarHBondContact O-CG 3.33Å; R45-R49 PolarHBondContact O-N 3.29Å; R45-R49 PolarHBondContact O-NE 3.08Å |
| 46 | L | 95.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 77.4 Ų | 77.4 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.5 | -40.5 | 178.5 | -79.6 | 161.5 | 0 | 0 | 0 | 111.7 | I29 L38 E42 I43 L44 M48 R49 Y50 | I29-L46 HydrophobicContact CD1-CB 4.11Å; I29-L46 HydrophobicContact CG2-CB 3.63Å; I29-L46 HydrophobicContact CG2-CD1 4.11Å; I29-L46 HydrophobicContact CG2-CG 4.31Å; L38-L46 HydrophobicContact CD1-CD1 3.57Å; L38-L46 HydrophobicContact CD2-CD1 4.07Å; L38-L46 HydrophobicContact CG-CD1 4.48Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CG 3.25Å; E42-L46 PolarHBondContact O-N 3.32Å; I43-L46 PolarHBondContact O-N 3.04Å; L44-L46 PolarHBondContact O-N 3.22Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 2.89Å; L46-R49 PolarHBondContact O-N 3.31Å; L46-Y50 WeakPolarHBondContact O-CB 3.37Å; L46-Y50 PolarHBondContact O-N 3.42Å |
| 47 | A | 97.1 | Very high | 94 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 I29 I43 L44 R49 Y50 I51 | L25-A47 HydrophobicContact CD1-CB 4.02Å; L25-A47 HydrophobicContact CD2-CB 4.24Å; L25-A47 HydrophobicContact CG-CB 4.38Å; I29-A47 HydrophobicContact CD1-CB 4.22Å; I43-A47 VanDerWaalsContact O-CB 3.28Å; I43-A47 WeakPolarHBondContact O-CB 3.25Å; I43-A47 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 3.38Å; A47-R49 PolarHBondContact O-N 3.11Å; A47-Y50 PolarHBondContact O-N 3.44Å; A47-I51 WeakPolarHBondContact O-CG1 3.45Å; A47-I51 PolarHBondContact O-N 3.44Å |
| 48 | M | 92.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 72.5 Ų | 72.5 | 37% | 0.365 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.2 | -67.6 | -178.5 | -64.3 | 0 | 0 | 112.3 | L44 R45 L46 Y50 N52 L77 | L44-M48 WeakPolarHBondContact O-CE 3.16Å; L44-M48 WeakPolarHBondContact O-CG 3.23Å; L44-M48 PolarHBondContact O-N 3.11Å; L44-M48 VanDerWaalsContact O-N 3.14Å; R45-M48 HydrophobicContact CG-CE 4.33Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 2.89Å; M48-Y50 VanDerWaalsContact C-N 3.31Å; M48-Y50 PolarHBondContact O-N 2.99Å; M48-N52 WeakPolarHBondContact O-CB 3.4Å; M48-N52 PolarHBondContact O-N 3.26Å; M48-N52 VanDerWaalsContact O-N 3.13Å; M48-L77 HydrophobicContact CB-CD1 3.96Å; M48-L77 HydrophobicContact CE-CD1 4.44Å; M48-L77 HydrophobicContact CE-CD2 4.33Å; M48-L77 HydrophobicContact CG-CD1 4.31Å; M48-L77 HydrophobicContact SD-CD1 3.74Å; M48-L77 HydrophobicContact SD-CD2 3.25Å; M48-L77 WeakPolarHBondContact SD-CD2 3.44Å; M48-L77 HydrophobicContact SD-CG 4.13Å |
| 49 | R | 91.9 | Very high | 93 | Very high | 156 Ų | 156 | 73.4 Ų | 73.4 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 175.9 | -77.6 | -173.7 | -74 | 166.1 | -8.6 | 112.1 | R45 L46 A47 N52 F53 | R45-R49 WeakPolarHBondContact O-CG 3.33Å; R45-R49 PolarHBondContact O-N 3.29Å; R45-R49 PolarHBondContact O-NE 3.08Å; L46-R49 PolarHBondContact O-N 3.31Å; A47-R49 PolarHBondContact O-N 3.11Å; R49-N52 PolarHBondContact O-N 2.97Å; R49-F53 WeakPolarHBondContact O-CB 3.28Å; R49-F53 PolarHBondContact O-N 3.25Å |
| 50 | Y | 96.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 74.9 Ų | 74.9 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.7 | -43 | -177.5 | -172.6 | -130.6 | 0 | 0 | 0 | 112.1 | L28 P30 L46 A47 M48 N52 F53 L54 | L28-Y50 WeakPolarHBondContact O-CE1 3.47Å; P30-Y50 HydrophobicContact CG-CD1 4.24Å; P30-Y50 HydrophobicContact CG-CD2 3.73Å; P30-Y50 HydrophobicContact CG-CE1 3.94Å; P30-Y50 HydrophobicContact CG-CE2 3.41Å; P30-Y50 VanDerWaalsContact CG-CE2 3.41Å; P30-Y50 HydrophobicContact CG-CG 4.15Å; L46-Y50 WeakPolarHBondContact O-CB 3.37Å; L46-Y50 PolarHBondContact O-N 3.42Å; A47-Y50 PolarHBondContact O-N 3.44Å; M48-Y50 VanDerWaalsContact C-N 3.31Å; M48-Y50 PolarHBondContact O-N 2.99Å; Y50-N52 VanDerWaalsContact C-N 3.27Å; Y50-N52 PolarHBondContact O-N 3.33Å; Y50-F53 HydrophobicContact CD2-CD1 4.08Å; Y50-F53 HydrophobicContact CE2-CD1 4.03Å; Y50-F53 HydrophobicContact CE2-CE1 4.49Å; Y50-F53 WeakPolarHBondContact O-CB 3.21Å; Y50-F53 PolarHBondContact O-N 3.43Å; Y50-L54 HydrophobicContact CD1-CD1 4.19Å; Y50-L54 HydrophobicContact CD2-CG 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.83Å; Y50-L54 HydrophobicContact CE1-CG 4.44Å; Y50-L54 HydrophobicContact CE2-CD1 4.29Å; Y50-L54 HydrophobicContact CE2-CD2 3.95Å; Y50-L54 HydrophobicContact CE2-CG 4.01Å; Y50-L54 WeakPolarHBondContact O-CG 3.46Å; Y50-L54 PolarHBondContact O-N 2.92Å |
| 51 | I | 94.6 | Very high | 91.7 | Very high | 98 Ų | 98 | 77 Ų | 77 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.8 | -47.9 | 171.1 | -67.8 | 165 | 0 | 0 | 0 | 109.9 | A47 F53 L54 V55 | A47-I51 WeakPolarHBondContact O-CG1 3.45Å; A47-I51 PolarHBondContact O-N 3.44Å; I51-F53 VanDerWaalsContact C-N 3.35Å; I51-F53 PolarHBondContact O-N 2.81Å; I51-L54 PolarHBondContact O-N 3.39Å; I51-V55 WeakPolarHBondContact O-CG2 3.45Å; I51-V55 PolarHBondContact O-N 2.82Å |
| 52 | N | 87.9 | Confident | 90.8 | Very high | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -178.1 | -159.2 | 1 | 0 | 0 | 0 | 112.6 | M48 R49 Y50 V55 Q56 S70 | M48-N52 WeakPolarHBondContact O-CB 3.4Å; M48-N52 PolarHBondContact O-N 3.26Å; M48-N52 VanDerWaalsContact O-N 3.13Å; R49-N52 PolarHBondContact O-N 2.97Å; Y50-N52 VanDerWaalsContact C-N 3.27Å; Y50-N52 PolarHBondContact O-N 3.33Å; N52-V55 PolarHBondContact O-N 3.33Å; N52-Q56 WeakPolarHBondContact O-CG 3.35Å; N52-Q56 PolarHBondContact O-N 3.1Å; N52-Q56 VanDerWaalsContact O-N 3.1Å; N52-Q56 PolarHBondContact O-NE2 3.49Å; N52-Q56 PolarHBondContact OD1-NE2 3.47Å; N52-S70 PolarHBondContact ND2-OG 2.81Å; N52-S70 WeakPolarHBondContact OD1-CA 3.44Å; N52-S70 WeakPolarHBondContact OD1-CB 3.34Å; N52-S70 PolarHBondContact OD1-OG 3.45Å |
| 53 | F | 90.7 | Very high | 89.5 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.3 | 169.2 | -99.2 | 0 | 0 | 0 | 111.6 | R49 Y50 I51 V55 Q56 L57 | R49-F53 WeakPolarHBondContact O-CB 3.28Å; R49-F53 PolarHBondContact O-N 3.25Å; Y50-F53 HydrophobicContact CD2-CD1 4.08Å; Y50-F53 HydrophobicContact CE2-CD1 4.03Å; Y50-F53 HydrophobicContact CE2-CE1 4.49Å; Y50-F53 WeakPolarHBondContact O-CB 3.21Å; Y50-F53 PolarHBondContact O-N 3.43Å; I51-F53 VanDerWaalsContact C-N 3.35Å; I51-F53 PolarHBondContact O-N 2.81Å; F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 3.32Å; F53-Q56 PolarHBondContact O-N 3.28Å; F53-L57 HydrophobicContact CE1-CD2 4.19Å; F53-L57 HydrophobicContact CZ-CD2 4.36Å; F53-L57 WeakPolarHBondContact O-CB 3.35Å; F53-L57 PolarHBondContact O-N 3.36Å |
| 54 | L | 92.5 | Very high | 87.9 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.3 | -67.5 | 176.2 | 0 | 0 | 0 | 111.9 | Y50 I51 L57 L58 | Y50-L54 HydrophobicContact CD1-CD1 4.19Å; Y50-L54 HydrophobicContact CD2-CG 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.83Å; Y50-L54 HydrophobicContact CE1-CG 4.44Å; Y50-L54 HydrophobicContact CE2-CD1 4.29Å; Y50-L54 HydrophobicContact CE2-CD2 3.95Å; Y50-L54 HydrophobicContact CE2-CG 4.01Å; Y50-L54 WeakPolarHBondContact O-CG 3.46Å; Y50-L54 PolarHBondContact O-N 2.92Å; I51-L54 PolarHBondContact O-N 3.39Å; L54-L57 PolarHBondContact O-N 2.98Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.86Å |
| 55 | V | 88.3 | Confident | 86 | Confident | 41 Ų | 41 | 85 Ų | 85 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I51 N52 F53 L57 L58 E59 S69 | I51-V55 WeakPolarHBondContact O-CG2 3.45Å; I51-V55 PolarHBondContact O-N 2.82Å; N52-V55 PolarHBondContact O-N 3.33Å; F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 3.32Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 2.88Å; V55-L58 PolarHBondContact O-N 3.01Å; V55-L58 VanDerWaalsContact O-N 3.16Å; V55-E59 HydrophobicContact CG1-CG 4.43Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.41Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 3.21Å; V55-S69 WeakPolarHBondContact CG1-OG 3.39Å |
| 56 | Q | 85.1 | Confident | 84.3 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.2 | -73.3 | 169 | 58.6 | 0 | 0 | 112.7 | N52 F53 L58 E59 S60 S70 | N52-Q56 WeakPolarHBondContact O-CG 3.35Å; N52-Q56 PolarHBondContact O-N 3.1Å; N52-Q56 VanDerWaalsContact O-N 3.1Å; N52-Q56 PolarHBondContact O-NE2 3.49Å; N52-Q56 PolarHBondContact OD1-NE2 3.47Å; F53-Q56 PolarHBondContact O-N 3.28Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.43Å; Q56-E59 PolarHBondContact O-N 2.86Å; Q56-S60 WeakPolarHBondContact O-CB 3.29Å; Q56-S60 PolarHBondContact O-N 3.27Å; Q56-S60 PolarHBondContact O-OG 2.87Å; Q56-S70 PolarHBondContact NE2-OG 2.96Å |
| 57 | L | 89.1 | Confident | 82.5 | Confident | 74 Ų | 74 | 82.6 Ų | 82.6 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 177.1 | -178.8 | 65 | 0 | 0 | 0 | 112.1 | F53 L54 V55 S60 Q61 | F53-L57 HydrophobicContact CE1-CD2 4.19Å; F53-L57 HydrophobicContact CZ-CD2 4.36Å; F53-L57 WeakPolarHBondContact O-CB 3.35Å; F53-L57 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.98Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 2.88Å; L57-S60 PolarHBondContact O-OG 3.41Å; L57-S60 VanDerWaalsContact O-OG 3.06Å; L57-Q61 WeakPolarHBondContact O-CG 3.42Å; L57-Q61 PolarHBondContact O-NE2 2.81Å |
| 58 | L | 88.7 | Confident | 80.6 | Confident | 118 Ų | 118 | 90 Ų | 90 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -76.2 | -40.9 | 176 | -67.3 | 172.7 | 0 | 0 | 0 | 111.5 | L54 V55 Q56 Q61 S62 | L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.86Å; V55-L58 PolarHBondContact O-N 3.01Å; V55-L58 VanDerWaalsContact O-N 3.16Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.43Å; L58-Q61 PolarHBondContact O-N 3.35Å; L58-S62 PolarHBondContact O-N 3.22Å; L58-S62 VanDerWaalsContact O-N 3.11Å |
| 59 | E | 85 | Confident | 79.3 | Confident | 45 Ų | 45 | 88 Ų | 88 | 21% | 0.21 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.8 | -73.1 | 174.5 | 178.5 | 0 | 0 | 111.4 | V55 Q56 Q61 S62 S69 | V55-E59 HydrophobicContact CG1-CG 4.43Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.41Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 3.21Å; Q56-E59 PolarHBondContact O-N 2.86Å; E59-Q61 VanDerWaalsContact C-N 3.28Å; E59-Q61 PolarHBondContact O-N 2.91Å; E59-S62 PolarHBondContact O-N 3.18Å; E59-S62 PolarHBondContact O-OG 3.26Å; E59-S69 WeakPolarHBondContact OE1-CB 3.42Å |
| 60 | S | 82.6 | Confident | 78 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.6 | -33.1 | 179.2 | 67 | 0 | 0 | 0 | 0 | 113.3 | Q56 L57 | Q56-S60 WeakPolarHBondContact O-CB 3.29Å; Q56-S60 PolarHBondContact O-N 3.27Å; Q56-S60 PolarHBondContact O-OG 2.87Å; L57-S60 PolarHBondContact O-OG 3.41Å; L57-S60 VanDerWaalsContact O-OG 3.06Å |
| 61 | Q | 85.4 | Confident | 76.5 | Confident | 144 Ų | 144 | 82.6 Ų | 82.6 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.7 | -26.5 | 175.5 | -72.1 | 179.1 | 99.1 | 0 | 0 | 112.9 | L57 L58 E59 G63 | L57-Q61 WeakPolarHBondContact O-CG 3.42Å; L57-Q61 PolarHBondContact O-NE2 2.81Å; L58-Q61 PolarHBondContact O-N 3.35Å; E59-Q61 VanDerWaalsContact C-N 3.28Å; E59-Q61 PolarHBondContact O-N 2.91Å; Q61-G63 VanDerWaalsContact C-N 3.31Å; Q61-G63 PolarHBondContact O-N 3.24Å |
| 62 | S | 78.8 | Confident | 75.3 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.1 | -178.2 | 74 | 0 | 0 | 0 | 0 | 114.6 | L58 E59 Q64 | L58-S62 PolarHBondContact O-N 3.22Å; L58-S62 VanDerWaalsContact O-N 3.11Å; E59-S62 PolarHBondContact O-N 3.18Å; E59-S62 PolarHBondContact O-OG 3.26Å; S62-Q64 PolarHBondContact O-N 2.81Å; S62-Q64 VanDerWaalsContact O-N 3.14Å |
| 63 | G | 67.9 | Low | 74.3 | Confident | 69 Ų | 69 | 83 Ų | 83 | 71% | 0.711 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 4.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q61 | Q61-G63 VanDerWaalsContact C-N 3.31Å; Q61-G63 PolarHBondContact O-N 3.24Å |
| 64 | Q | 65.2 | Low | 73.3 | Confident | 146 Ų | 146 | 82.2 Ų | 82.2 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | trans | -82.9 | 138.1 | 174.1 | -65.5 | -148 | 7.3 | 0 | 0 | 111.1 | S62 A66 | S62-Q64 PolarHBondContact O-N 2.81Å; S62-Q64 VanDerWaalsContact O-N 3.14Å; Q64-A66 PolarHBondContact O-N 2.68Å | ||
| 65 | P | 57.3 | Low | 72.4 | Confident | 121 Ų | 121 | 82.6 Ų | 82.6 | 79% | 0.786 | 50% | 0.5 | S | S | * | . | trans | -64.2 | 126.6 | 177.8 | 25.5 | -31.9 | 0 | 0 | 0 | 110.3 | G67 | P65-G67 PolarHBondContact O-N 3.13Š| ||
| 66 | A | 58.7 | Low | 71.4 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | trans | -65.7 | 58.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q64 | Q64-A66 PolarHBondContact O-N 2.68Š| ||
| 67 | G | 57.2 | Low | 70.6 | Confident | 45 Ų | 45 | 85.4 Ų | 85.4 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | trans | -86.7 | -19.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P65 | P65-G67 PolarHBondContact O-N 3.13Š| ||
| 68 | H | 58.1 | Low | 69.9 | Low | 169 Ų | 169 | 90 Ų | 90 | 78% | 0.782 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -132 | -15.2 | -156.3 | -64.4 | 92 | 0 | 0 | 0 | 117.7 | A72 | H68-A72 VanDerWaalsContact O-CB 3.32Å; H68-A72 WeakPolarHBondContact O-CB 3.47Å |
| 69 | S | 64.8 | Low | 69.2 | Low | 32 Ų | 32 | 85.8 Ų | 85.8 | 22% | 0.224 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -106.9 | -49.3 | -169 | -161.8 | 0 | 0 | 0 | 0 | 115.1 | V55 E59 A72 L73 | V55-S69 WeakPolarHBondContact CG1-OG 3.39Å; E59-S69 WeakPolarHBondContact OE1-CB 3.42Å; S69-A72 PolarHBondContact O-N 3.02Å; S69-L73 PolarHBondContact O-N 3.02Å |
| 70 | S | 63.8 | Low | 68.5 | Low | 25 Ų | 25 | 87.3 Ų | 87.3 | 18% | 0.175 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | -172.8 | -171.2 | 0 | 0 | 0 | 0 | 113.4 | N52 Q56 A72 L74 | N52-S70 PolarHBondContact ND2-OG 2.81Å; N52-S70 WeakPolarHBondContact OD1-CA 3.44Å; N52-S70 WeakPolarHBondContact OD1-CB 3.34Å; N52-S70 PolarHBondContact OD1-OG 3.45Å; Q56-S70 PolarHBondContact NE2-OG 2.96Å; S70-A72 VanDerWaalsContact C-N 3.34Å; S70-L74 WeakPolarHBondContact O-CB 3.38Å; S70-L74 VanDerWaalsContact O-CG 3.3Å; S70-L74 WeakPolarHBondContact O-CG 3.44Å; S70-L74 PolarHBondContact O-N 3.41Å |
| 71 | T | 65.2 | Low | 67.8 | Low | 100 Ų | 100 | 87.2 Ų | 87.2 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -35.8 | 175.9 | -2 | 0 | 0 | 0 | 0 | 111.8 | S75 | T71-S75 WeakPolarHBondContact O-CB 3.39Å; T71-S75 PolarHBondContact O-N 2.83Å; T71-S75 PolarHBondContact O-OG 2.76Å |
| 72 | A | 69.1 | Low | 67 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | H68 S69 S70 S75 F76 | H68-A72 VanDerWaalsContact O-CB 3.32Å; H68-A72 WeakPolarHBondContact O-CB 3.47Å; S69-A72 PolarHBondContact O-N 3.02Å; S70-A72 VanDerWaalsContact C-N 3.34Å; A72-S75 WeakPolarHBondContact CA-OG 3.33Å; A72-S75 PolarHBondContact O-OG 3.29Å; A72-F76 VanDerWaalsContact O-CB 3.23Å; A72-F76 WeakPolarHBondContact O-CB 3.39Å; A72-F76 PolarHBondContact O-N 3.39Å |
| 73 | L | 67.7 | Low | 66.2 | Low | 66 Ų | 66 | 91.1 Ų | 91.1 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -42.8 | 175.6 | -68.6 | -177.2 | 0 | 0 | 0 | 111.9 | S69 S75 F76 L77 | S69-L73 PolarHBondContact O-N 3.02Å; L73-S75 PolarHBondContact O-N 3.28Å; L73-F76 PolarHBondContact O-N 3.4Å; L73-L77 WeakPolarHBondContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.46Å |
| 74 | L | 68.6 | Low | 65.7 | Low | 98 Ų | 98 | 94.4 Ų | 94.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 177.4 | -71.2 | 173.8 | 0 | 0 | 0 | 112.3 | S70 L77 R78 | S70-L74 WeakPolarHBondContact O-CB 3.38Å; S70-L74 VanDerWaalsContact O-CG 3.3Å; S70-L74 WeakPolarHBondContact O-CG 3.44Å; S70-L74 PolarHBondContact O-N 3.41Å; L74-L77 PolarHBondContact O-N 3.43Å; L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.25Å; L74-R78 PolarHBondContact O-N 3.37Å |
| 75 | S | 73 | Confident | 65.1 | Low | 74 Ų | 74 | 94.2 Ų | 94.2 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | T71 A72 L73 L77 R78 G79 | T71-S75 WeakPolarHBondContact O-CB 3.39Å; T71-S75 PolarHBondContact O-N 2.83Å; T71-S75 PolarHBondContact O-OG 2.76Å; A72-S75 WeakPolarHBondContact CA-OG 3.33Å; A72-S75 PolarHBondContact O-OG 3.29Å; L73-S75 PolarHBondContact O-N 3.28Å; S75-L77 PolarHBondContact O-N 3.32Å; S75-R78 PolarHBondContact O-N 2.84Å; S75-G79 PolarHBondContact O-N 3.08Å |
| 76 | F | 68.8 | Low | 64.8 | Low | 130 Ų | 130 | 92.3 Ų | 92.3 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 173.1 | 178.9 | -99.7 | 0 | 0 | 0 | 111.9 | A72 L73 G79 N80 | A72-F76 VanDerWaalsContact O-CB 3.23Å; A72-F76 WeakPolarHBondContact O-CB 3.39Å; A72-F76 PolarHBondContact O-N 3.39Å; L73-F76 PolarHBondContact O-N 3.4Å; F76-G79 PolarHBondContact O-N 3.33Å; F76-N80 WeakPolarHBondContact O-CB 3.45Å; F76-N80 PolarHBondContact O-N 3.1Å |
| 77 | L | 68.1 | Low | 64.7 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 27% | 0.272 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 179.9 | -67.7 | 177.8 | 0 | 0 | 0 | 112.7 | M48 L73 L74 S75 N80 M81 | M48-L77 HydrophobicContact CB-CD1 3.96Å; M48-L77 HydrophobicContact CE-CD1 4.44Å; M48-L77 HydrophobicContact CE-CD2 4.33Å; M48-L77 HydrophobicContact CG-CD1 4.31Å; M48-L77 HydrophobicContact SD-CD1 3.74Å; M48-L77 HydrophobicContact SD-CD2 3.25Å; M48-L77 WeakPolarHBondContact SD-CD2 3.44Å; M48-L77 HydrophobicContact SD-CG 4.13Å; L73-L77 WeakPolarHBondContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 3.43Å; S75-L77 PolarHBondContact O-N 3.32Å; L77-N80 PolarHBondContact O-N 2.95Å; L77-M81 WeakPolarHBondContact O-CB 3.5Å; L77-M81 PolarHBondContact O-N 2.95Å |
| 78 | R | 73.9 | Confident | 64.6 | Low | 171 Ų | 171 | 96.8 Ų | 96.8 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -50.2 | 170.9 | -176.8 | 176.6 | -119.7 | -102.3 | 1.1 | 110 | L74 S75 N80 M81 E82 | L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.25Å; L74-R78 PolarHBondContact O-N 3.37Å; S75-R78 PolarHBondContact O-N 2.84Å; R78-N80 VanDerWaalsContact C-N 3.26Å; R78-N80 PolarHBondContact O-N 3.36Å; R78-M81 WeakPolarHBondContact O-CB 3.32Å; R78-M81 PolarHBondContact O-N 2.9Å; R78-M81 VanDerWaalsContact O-N 3.08Å; R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.37Å |
| 79 | G | 75.2 | Confident | 64.6 | Low | 29 Ų | 29 | 99.3 Ų | 99.3 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -30.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S75 F76 R83 | S75-G79 PolarHBondContact O-N 3.08Å; F76-G79 PolarHBondContact O-N 3.33Å; G79-R83 PolarHBondContact O-N 3.43Å |
| 80 | N | 70 | Confident | 64 | Low | 77 Ų | 77 | 102.9 Ų | 102.9 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.1 | -35.9 | 173.9 | -166.3 | 63.8 | 0 | 0 | 0 | 112.3 | F76 L77 R78 R83 L84 | F76-N80 WeakPolarHBondContact O-CB 3.45Å; F76-N80 PolarHBondContact O-N 3.1Å; L77-N80 PolarHBondContact O-N 2.95Å; R78-N80 VanDerWaalsContact C-N 3.26Å; R78-N80 PolarHBondContact O-N 3.36Å; N80-R83 PolarHBondContact O-N 3.49Å; N80-L84 PolarHBondContact O-N 3.35Å |
| 81 | M | 67.2 | Low | 63.7 | Low | 85 Ų | 85 | 113.3 Ų | 113.3 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.6 | -38.6 | 175.9 | -174.3 | 173.5 | 66.2 | 0 | 0 | 112.2 | L77 R78 R83 L84 H85 | L77-M81 WeakPolarHBondContact O-CB 3.5Å; L77-M81 PolarHBondContact O-N 2.95Å; R78-M81 WeakPolarHBondContact O-CB 3.32Å; R78-M81 PolarHBondContact O-N 2.9Å; R78-M81 VanDerWaalsContact O-N 3.08Å; M81-R83 VanDerWaalsContact C-N 3.3Å; M81-R83 PolarHBondContact O-N 3.06Å; M81-L84 PolarHBondContact O-N 2.98Å; M81-H85 PolarHBondContact O-N 3.08Å; M81-H85 PolarHBondContact O-ND1 3.07Å |
| 82 | E | 68.8 | Low | 62.8 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.9 | -38.8 | 173.7 | -65 | -56.6 | 128.7 | 0 | 0 | 111.4 | R78 L84 H85 S86 | R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.37Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.18Å; E82-H85 PolarHBondContact O-N 3.26Å; E82-S86 PolarHBondContact O-N 3.19Å |
| 83 | R | 62.7 | Low | 61.9 | Low | 190 Ų | 190 | 115.5 Ų | 115.5 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.4 | -29.2 | 177.5 | -87.5 | -172 | -103.7 | -154.8 | -4.9 | 114.2 | G79 N80 M81 | G79-R83 PolarHBondContact O-N 3.43Å; N80-R83 PolarHBondContact O-N 3.49Å; M81-R83 VanDerWaalsContact C-N 3.3Å; M81-R83 PolarHBondContact O-N 3.06Å |
| 84 | L | 56.3 | Low | 61 | Low | 138 Ų | 138 | 118.3 Ų | 118.3 | 72% | 0.723 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.9 | -20.9 | 176.7 | -68.3 | 174.9 | 0 | 0 | 0 | 113.3 | N80 M81 E82 | N80-L84 PolarHBondContact O-N 3.35Å; M81-L84 PolarHBondContact O-N 2.98Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.18Å |
| 85 | H | 53.8 | Low | 59.9 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -93.8 | 2 | 175 | -63.2 | 106.1 | 0 | 0 | 0 | 113.3 | M81 E82 | M81-H85 PolarHBondContact O-N 3.08Å; M81-H85 PolarHBondContact O-ND1 3.07Å; E82-H85 PolarHBondContact O-N 3.26Å |
| 86 | S | 51.2 | Low | 58.8 | Low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -58.2 | 128.4 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 108 | E82 | E82-S86 PolarHBondContact O-N 3.19Š|
| 87 | P | 55.8 | Low | 57.9 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 144.6 | 178.2 | 22.4 | -30.7 | 0 | 0 | 0 | 108.7 | R89 | P87-R89 PolarHBondContact O-N 3.04Š|
| 88 | P | 55.4 | Low | 56.6 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54 | 125.7 | 173.8 | 24.7 | -30.7 | 0 | 0 | 0 | 105.7 | T90 | P88-T90 VanDerWaalsContact C-N 3.35Å; P88-T90 PolarHBondContact O-N 2.94Å |
| 89 | R | 56.9 | Low | 55.4 | Low | 222 Ų | 222 | 124.5 Ų | 124.5 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -41.6 | 107.1 | 172.7 | -153.1 | 175.3 | -175.5 | -84.5 | 1.5 | 105.5 | P87 W91 | P87-R89 PolarHBondContact O-N 3.04Å; R89-W91 PolarHBondContact O-N 2.77Å | ||
| 90 | T | 53.2 | Low | 54 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -59.2 | 116.2 | 179.7 | 46.4 | 0 | 0 | 0 | 0 | 103.5 | P88 T92 | P88-T90 VanDerWaalsContact C-N 3.35Å; P88-T90 PolarHBondContact O-N 2.94Å; T90-T92 PolarHBondContact O-N 2.79Å | ||
| 91 | W | 56.6 | Low | 53.2 | Low | 243 Ų | 243 | 130.9 Ų | 130.9 | 92% | 0.92 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 90.3 | 160.2 | -62.7 | 86.1 | 0 | 0 | 0 | 102.6 | R89 A93 | R89-W91 PolarHBondContact O-N 2.77Å; W91-A93 PolarHBondContact O-N 2.77Å | ||
| 92 | T | 45.9 | Very low | 52.3 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 64% | 0.638 | 74% | 0.736 | S | S | * | * | trans | -59.6 | 98.3 | 166 | 47 | 0 | 0 | 0 | 0 | 103.6 | T90 T94 | T90-T92 PolarHBondContact O-N 2.79Å; T92-T94 PolarHBondContact O-N 2.82Å | ||
| 93 | A | 50.3 | Low | 51.2 | Low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -57.6 | 93.2 | 160 | 0 | 0 | 0 | 0 | 0 | 104.4 | W91 S95 | W91-A93 PolarHBondContact O-N 2.77Å; A93-S95 VanDerWaalsContact C-N 3.26Å; A93-S95 PolarHBondContact O-N 3.01Å | ||
| 94 | T | 50 | Low | 50.2 | Low | 125 Ų | 125 | 128 Ų | 128 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 100.9 | 165.3 | 56 | 0 | 0 | 0 | 0 | 104 | T92 | T92-T94 PolarHBondContact O-N 2.82Š| ||
| 95 | S | 45.2 | Very low | 49.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -45.5 | 138.3 | 161.5 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | A93 | A93-S95 VanDerWaalsContact C-N 3.26Å; A93-S95 PolarHBondContact O-N 3.01Å | ||
| 96 | D | 49.3 | Very low | 49.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 29.9 | 101.2 | 149.1 | -59.6 | -56.1 | 0 | 0 | 0 | 117.1 | ||||
| 97 | T | 49.8 | Very low | 48.5 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -155.4 | 101.3 | 142 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 98 | E | 41.9 | Very low | 47.9 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 35.8 | 108.5 | 138 | -151.4 | 146.6 | 109.9 | 0 | 0 | 117.7 | ||||
| 99 | A | 48.4 | Very low | 47.2 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -60 | 129.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S101 | A99-S101 PolarHBondContact O-N 3.28Å; A99-S101 VanDerWaalsContact O-N 3.17Å | ||
| 100 | P | 45.3 | Very low | 46.4 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 111.5 | 169.5 | 27.5 | -28.3 | 0 | 0 | 0 | 108.9 | ||||
| 101 | S | 53.1 | Low | 45.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -53.5 | 129.7 | 166.3 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | A99 G103 | A99-S101 PolarHBondContact O-N 3.28Å; A99-S101 VanDerWaalsContact O-N 3.17Å; S101-G103 PolarHBondContact O-N 3.24Å | ||
| 102 | P | 47.8 | Very low | 45 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 113.1 | 168.7 | 29 | -28.3 | 0 | 0 | 0 | 108.3 | S104 | P102-S104 PolarHBondContact O-N 3.17Š| ||
| 103 | G | 47 | Very low | 45 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -58.7 | 122.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S101 | S101-G103 PolarHBondContact O-N 3.24Š| ||
| 104 | S | 42 | Very low | 44.7 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -114 | 108.2 | 161.5 | -115.9 | 0 | 0 | 0 | 0 | 107.7 | P102 | P102-S104 PolarHBondContact O-N 3.17Š| ||
| 105 | R | 39.9 | Very low | 44.4 | Very low | 247 Ų | 247 | 141.7 Ų | 141.7 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -77.9 | 128.4 | 179.9 | -166.7 | 170.9 | 168.3 | -119.3 | -1.6 | 107.4 | ||||
| 106 | S | 47.6 | Very low | 44.4 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -54 | 141 | 172.3 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 107 | D | 37.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | -156.5 | 149 | 125.2 | -155 | 13.2 | 0 | 0 | 0 | 112.5 | |||||
| 108 | S | 42.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 83% | 0.834 | S | S | * | * | trans | -89 | 140.8 | -172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | S | 41.3 | Very low | 43.8 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | 169.5 | 141.1 | 127.7 | -82.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 110 | E | 39.1 | Very low | 43.4 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | trans | -27.6 | 149 | 165.1 | -66.9 | 158.9 | 68.9 | 0 | 0 | 118.1 | ||||
| 111 | A | 38.6 | Very low | 43.3 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 84% | 0.844 | S | S | * | * | 167.5 | 112.8 | 115.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 112 | W | 42.9 | Very low | 42.4 | Very low | 332 Ų | 332 | 150.5 Ų | 150.5 | 100% | 1.258 | 85% | 0.848 | S | S | * | * | trans | 52.6 | 0 | 155.6 | -56 | 86.5 | 0 | 0 | 0 | 120.1 |
Retrieved 112 of 112 residues in 33.4 ms
(Link to these results)