| 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 | 51.4 | Low | 54.6 | Low | 202 Ų | 202 | 99.7 Ų | 99.7 | 100% | 0.995 | 49% | 0.489 | S | S | * | . | 0 | -34.9 | 0 | -69.4 | -164.8 | -172.9 | 0 | 0 | 115.9 | Q3 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.8Å | |||
| 2 | R | 53 | Low | 54.6 | Low | 225 Ų | 225 | 101.1 Ų | 101.1 | 85% | 0.849 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -23.6 | -179.9 | -76.9 | -177.3 | 179.9 | 170.6 | 0.3 | 114.9 | ||
| 3 | Q | 53.4 | Low | 54.9 | Low | 137 Ų | 137 | 105.6 Ų | 105.6 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79 | -41.8 | -175.7 | -135.1 | 165.8 | -0.6 | 0 | 0 | 112.1 | M1 A5 R6 C7 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.8Å; Q3-A5 PolarHBondContact O-N 3.16Å; Q3-R6 PolarHBondContact O-N 3.46Å; Q3-C7 PolarHBondContact O-N 3.15Å; Q3-C7 PolarHBondContact O-SG 3.24Å; Q3-C7 VanDerWaalsContact O-SG 3.4Å |
| 4 | T | 46.4 | Very low | 54.8 | Low | 40 Ų | 40 | 102.9 Ų | 102.9 | 25% | 0.245 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 177 | -34.8 | 0 | 0 | 0 | 0 | 112.2 | R6 C7 A8 | T4-R6 VanDerWaalsContact C-N 3.35Å; T4-R6 PolarHBondContact O-N 3.06Å; T4-C7 PolarHBondContact O-N 3.11Å; T4-A8 WeakPolarHBondContact O-CB 3.47Å; T4-A8 PolarHBondContact O-N 3.02Å |
| 5 | A | 53.7 | Low | 54.6 | Low | 62 Ų | 62 | 97.7 Ų | 97.7 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3 D9 | Q3-A5 PolarHBondContact O-N 3.16Å; A5-D9 VanDerWaalsContact O-CB 3.28Å; A5-D9 WeakPolarHBondContact O-CB 3.32Å; A5-D9 PolarHBondContact O-N 2.97Å |
| 6 | R | 58.2 | Low | 54.3 | Low | 191 Ų | 191 | 101.4 Ų | 101.4 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.6 | -43.6 | 175.3 | -75.6 | -174.5 | -179.4 | -175.9 | -0.2 | 111.9 | Q3 T4 A8 D9 E10 | Q3-R6 PolarHBondContact O-N 3.46Å; T4-R6 VanDerWaalsContact C-N 3.35Å; T4-R6 PolarHBondContact O-N 3.06Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.97Å; R6-D9 PolarHBondContact O-N 3.49Å; R6-E10 WeakPolarHBondContact O-CB 3.34Å; R6-E10 PolarHBondContact O-N 2.96Å |
| 7 | C | 54.8 | Low | 53.8 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | Q3 T4 G11 | Q3-C7 PolarHBondContact O-N 3.15Å; Q3-C7 PolarHBondContact O-SG 3.24Å; Q3-C7 VanDerWaalsContact O-SG 3.4Å; T4-C7 PolarHBondContact O-N 3.11Å; C7-G11 PolarHBondContact O-N 3.33Å |
| 8 | A | 54.6 | Low | 52.9 | Low | 41 Ų | 41 | 102.3 Ų | 102.3 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -50.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T4 R6 E10 G11 F12 | T4-A8 WeakPolarHBondContact O-CB 3.47Å; T4-A8 PolarHBondContact O-N 3.02Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.97Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.18Å; A8-G11 CarbonylContact O-C 3.42Å; A8-G11 WeakPolarHBondContact O-CA 3.49Å; A8-G11 PolarHBondContact O-N 3.29Å; A8-G11 VanDerWaalsContact O-N 3.11Å; A8-F12 HydrophobicContact CB-CD2 4.48Å; A8-F12 HydrophobicContact CB-CE2 4.42Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 2.97Å |
| 9 | D | 58.9 | Low | 52 | Low | 77 Ų | 77 | 102.3 Ų | 102.3 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 178.1 | -170.4 | 72.9 | 0 | 0 | 0 | 111.8 | A5 R6 F12 R13 | A5-D9 VanDerWaalsContact O-CB 3.28Å; A5-D9 WeakPolarHBondContact O-CB 3.32Å; A5-D9 PolarHBondContact O-N 2.97Å; R6-D9 PolarHBondContact O-N 3.49Å; D9-F12 PolarHBondContact O-N 3.34Å; D9-R13 WeakPolarHBondContact O-CB 3.39Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 IonicContact OD2-CZ 3.4Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.46Å; D9-R13 IonicContact OD2-NH2 3.15Å; D9-R13 PolarHBondContact OD2-NH2 2.87Å; D9-R13 VanDerWaalsContact OD2-NH2 3.15Å |
| 10 | E | 58.4 | Low | 51.2 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 176.3 | -170 | 172.4 | -179.9 | 0 | 0 | 111.8 | R6 A8 N14 R50 | R6-E10 WeakPolarHBondContact O-CB 3.34Å; R6-E10 PolarHBondContact O-N 2.96Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.18Å; E10-N14 WeakPolarHBondContact CG-ND2 3.29Å; E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 VanDerWaalsContact O-CG 3.29Å; E10-N14 PolarHBondContact O-N 3.13Å; E10-N14 PolarHBondContact O-ND2 2.95Å; E10-N14 VanDerWaalsContact O-ND2 3.12Å; E10-R50 IonicContact OE1-CZ 3.83Å; E10-R50 IonicContact OE1-NH1 2.65Å; E10-R50 PolarHBondContact OE1-NH1 2.91Å |
| 11 | G | 57.4 | Low | 50.4 | Low | 3 Ų | 3 | 103.6 Ų | 103.6 | 3% | 0.031 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C7 A8 M15 | C7-G11 PolarHBondContact O-N 3.33Å; A8-G11 CarbonylContact O-C 3.42Å; A8-G11 WeakPolarHBondContact O-CA 3.49Å; A8-G11 PolarHBondContact O-N 3.29Å; A8-G11 VanDerWaalsContact O-N 3.11Å; G11-M15 VanDerWaalsContact C-CE 3.46Å; G11-M15 WeakPolarHBondContact O-CB 3.32Å; G11-M15 WeakPolarHBondContact O-CE 3.31Å; G11-M15 VanDerWaalsContact O-CG 3.23Å; G11-M15 WeakPolarHBondContact O-CG 3.36Å; G11-M15 PolarHBondContact O-N 3.3Å |
| 12 | F | 55.4 | Low | 49.6 | Very low | 116 Ų | 116 | 96.6 Ų | 96.6 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.4 | -78.9 | -68.5 | 0 | 0 | 0 | 112.8 | A8 D9 M15 Q16 M68 | A8-F12 HydrophobicContact CB-CD2 4.48Å; A8-F12 HydrophobicContact CB-CE2 4.42Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 2.97Å; D9-F12 PolarHBondContact O-N 3.34Å; F12-M15 CarbonylContact O-C 3.1Å; F12-Q16 PolarHBondContact O-N 2.95Å; F12-M68 HydrophobicContact CE1-CE 3.98Å; F12-M68 HydrophobicContact CZ-CE 4.27Å |
| 13 | R | 58.5 | Low | 48.5 | Very low | 160 Ų | 160 | 91 Ų | 91 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.5 | -41.8 | 176.4 | -74.9 | -175.5 | -161.2 | -124.2 | -0.3 | 112.6 | D9 M15 Q16 | D9-R13 WeakPolarHBondContact O-CB 3.39Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 IonicContact OD2-CZ 3.4Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.46Å; D9-R13 IonicContact OD2-NH2 3.15Å; D9-R13 PolarHBondContact OD2-NH2 2.87Å; D9-R13 VanDerWaalsContact OD2-NH2 3.15Å; R13-M15 VanDerWaalsContact C-N 3.3Å; R13-Q16 WeakPolarHBondContact O-CB 3.48Å; R13-Q16 VanDerWaalsContact O-CG 3.27Å; R13-Q16 WeakPolarHBondContact O-CG 3.35Å; R13-Q16 PolarHBondContact O-N 3.47Å |
| 14 | N | 52.6 | Low | 47.6 | Very low | 68 Ų | 68 | 93.1 Ų | 93.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.4 | -22.6 | 177.5 | -70.1 | -34.1 | 0 | 0 | 0 | 112.2 | E10 Q16 | E10-N14 WeakPolarHBondContact CG-ND2 3.29Å; E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 VanDerWaalsContact O-CG 3.29Å; E10-N14 PolarHBondContact O-N 3.13Å; E10-N14 PolarHBondContact O-ND2 2.95Å; E10-N14 VanDerWaalsContact O-ND2 3.12Å; N14-Q16 PolarHBondContact O-N 2.72Å |
| 15 | M | 51.9 | Low | 47.1 | Very low | 25 Ų | 25 | 101 Ų | 101 | 12% | 0.123 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 11.8 | 161.9 | -77.2 | -174.7 | -83.9 | 0 | 0 | 112.4 | G11 F12 R13 F17 F65 M72 | G11-M15 VanDerWaalsContact C-CE 3.46Å; G11-M15 WeakPolarHBondContact O-CB 3.32Å; G11-M15 WeakPolarHBondContact O-CE 3.31Å; G11-M15 VanDerWaalsContact O-CG 3.23Å; G11-M15 WeakPolarHBondContact O-CG 3.36Å; G11-M15 PolarHBondContact O-N 3.3Å; F12-M15 CarbonylContact O-C 3.1Å; R13-M15 VanDerWaalsContact C-N 3.3Å; M15-F17 HydrophobicContact CB-CE2 4.38Å; M15-F17 HydrophobicContact CB-CZ 4.29Å; M15-F17 WeakPolarHBondContact O-CA 3.33Å; M15-F17 WeakPolarHBondContact O-CD2 3.45Å; M15-F17 WeakPolarHBondContact O-CE2 3.3Å; M15-F17 VanDerWaalsContact O-CG 3.25Å; M15-F17 WeakPolarHBondContact O-CG 3.48Å; M15-F17 PolarHBondContact O-N 3.1Å; M15-F65 HydrophobicContact CE-CD2 3.61Å; M15-F65 HydrophobicContact CE-CE2 3.58Å; M15-F65 HydrophobicContact CG-CE2 4.04Å; M15-F65 HydrophobicContact SD-CD2 4.11Å; M15-F65 HydrophobicContact SD-CE2 3.56Å; M15-F65 VanDerWaalsContact SD-CE2 3.56Å; M15-F65 HydrophobicContact SD-CZ 4.31Å; M15-M72 HydrophobicContact SD-CE 4.19Å |
| 16 | Q | 50.6 | Low | 46.2 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | trans | -53.8 | 98.6 | 165.3 | -91.9 | -173.3 | 30.5 | 0 | 0 | 108.5 | F12 R13 N14 | F12-Q16 PolarHBondContact O-N 2.95Å; R13-Q16 WeakPolarHBondContact O-CB 3.48Å; R13-Q16 VanDerWaalsContact O-CG 3.27Å; R13-Q16 WeakPolarHBondContact O-CG 3.35Å; R13-Q16 PolarHBondContact O-N 3.47Å; N14-Q16 PolarHBondContact O-N 2.72Å | ||
| 17 | F | 44.6 | Very low | 45.2 | Very low | 101 Ų | 101 | 103.7 Ų | 103.7 | 44% | 0.443 | 56% | 0.558 | S | S | . | * | trans | -57.8 | 147.9 | -173 | -63.8 | -87.7 | 0 | 0 | 0 | 108.2 | M15 V19 M72 | M15-F17 HydrophobicContact CB-CE2 4.38Å; M15-F17 HydrophobicContact CB-CZ 4.29Å; M15-F17 WeakPolarHBondContact O-CA 3.33Å; M15-F17 WeakPolarHBondContact O-CD2 3.45Å; M15-F17 WeakPolarHBondContact O-CE2 3.3Å; M15-F17 VanDerWaalsContact O-CG 3.25Å; M15-F17 WeakPolarHBondContact O-CG 3.48Å; M15-F17 PolarHBondContact O-N 3.1Å; F17-V19 HydrophobicContact CB-CB 4.26Å; F17-V19 HydrophobicContact CB-CG2 3.63Å; F17-V19 HydrophobicContact CG-CG2 4.43Å; F17-V19 PolarHBondContact O-N 3.29Å; F17-M72 HydrophobicContact CE1-CE 4.16Å; F17-M72 HydrophobicContact CE1-SD 3.48Å; F17-M72 WeakPolarHBondContact CE1-SD 3.49Å; F17-M72 HydrophobicContact CZ-CE 4.07Å; F17-M72 HydrophobicContact CZ-SD 3.32Å; F17-M72 WeakPolarHBondContact CZ-SD 3.06Å | ||
| 18 | S | 39 | Very low | 44.5 | Very low | 119 Ų | 119 | 107.8 Ų | 107.8 | 83% | 0.832 | 58% | 0.581 | S | S | * | * | trans | -63.7 | 42 | 153 | -44.9 | 0 | 0 | 0 | 0 | 111.4 | A20 | S18-A20 PolarHBondContact O-N 3.24Å; S18-A20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | V | 35.7 | Very low | 43.9 | Very low | 101 Ų | 101 | 111 Ų | 111 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | trans | -61.5 | 111.7 | 153.9 | 171.9 | 0 | 0 | 0 | 0 | 103.7 | F17 L21 | F17-V19 HydrophobicContact CB-CB 4.26Å; F17-V19 HydrophobicContact CB-CG2 3.63Å; F17-V19 HydrophobicContact CG-CG2 4.43Å; F17-V19 PolarHBondContact O-N 3.29Å; V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 3.24Å | ||
| 20 | A | 36 | Very low | 43.1 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 49% | 0.488 | 62% | 0.622 | S | S | . | * | trans | -53.7 | 89.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | S18 G22 | S18-A20 PolarHBondContact O-N 3.24Å; S18-A20 VanDerWaalsContact O-N 3.11Å; A20-G22 PolarHBondContact O-N 3.02Å | ||
| 21 | L | 34.3 | Very low | 42.2 | Very low | 173 Ų | 173 | 120.8 Ų | 120.8 | 91% | 0.906 | 64% | 0.637 | S | S | * | * | trans | -74.3 | 80.8 | 159.6 | -83.7 | 161.6 | 0 | 0 | 0 | 106.2 | V19 | V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 3.24Å | ||
| 22 | G | 33.1 | Very low | 41.3 | Very low | 55 Ų | 55 | 127.8 Ų | 127.8 | 57% | 0.567 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 168.1 | 91.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A20 K24 | A20-G22 PolarHBondContact O-N 3.02Å; G22-K24 PolarHBondContact O-N 3.41Å |
| 23 | A | 31.2 | Very low | 40.6 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 90% | 0.901 | 68% | 0.682 | S | S | * | * | trans | -51.4 | 94.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | K | 33.5 | Very low | 39.4 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -164.9 | 107.3 | 151.8 | -113.8 | 171.2 | -177.8 | 174.7 | 0 | 106.7 | G22 R26 | G22-K24 PolarHBondContact O-N 3.41Å; K24-R26 PolarHBondContact O-N 2.87Å | ||
| 25 | E | 36.1 | Very low | 38.6 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 96% | 0.958 | 71% | 0.705 | S | S | * | * | trans | -57.9 | 84.3 | 166.3 | -65.9 | -178.2 | 146.7 | 0 | 0 | 108.4 | ||||
| 26 | R | 35.5 | Very low | 38.1 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -86.8 | 115.3 | 163.2 | -86.4 | -168.8 | -179.1 | -175.6 | 1.4 | 107 | K24 V28 | K24-R26 PolarHBondContact O-N 2.87Å; R26-V28 PolarHBondContact O-N 3.32Å | ||
| 27 | S | 36.4 | Very low | 37.5 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | -11.4 | 113.5 | 169.2 | -42.9 | 0 | 0 | 0 | 0 | 113.8 | S29 E30 | S27-S29 PolarHBondContact O-N 2.71Å; S27-E30 PolarHBondContact O-N 3.27Å | ||
| 28 | V | 40.3 | Very low | 37.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -11.6 | -175.6 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | R26 | R26-V28 PolarHBondContact O-N 3.32Š|
| 29 | S | 43.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -12.9 | -176.5 | -171.8 | 0 | 0 | 0 | 0 | 115.9 | S27 | S27-S29 PolarHBondContact O-N 2.71Š|
| 30 | E | 40.9 | Very low | 39.1 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -109.8 | -9.1 | -174.2 | -149 | 176.3 | -171 | 0 | 0 | 113.5 | S27 | S27-E30 PolarHBondContact O-N 3.27Š|
| 31 | R | 40.7 | Very low | 40.3 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 68% | 0.683 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.3 | -5 | -176.2 | -138.1 | 178.2 | -169.9 | -175.9 | 2.8 | 113.8 | ||
| 32 | E | 38.8 | Very low | 41.8 | Very low | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -92.1 | -4.4 | -163.3 | -140.6 | 169.7 | -161.2 | 0 | 0 | 114.2 | ||
| 33 | H | 39.6 | Very low | 43.2 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -123.5 | -8.8 | -166.8 | -83.7 | 55.9 | 0 | 0 | 0 | 117.4 | ||
| 34 | R | 33.5 | Very low | 44.8 | Very low | 225 Ų | 225 | 136.3 Ų | 136.3 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -150.4 | 133.3 | 176.9 | -69.4 | -172.8 | 173.6 | 165.5 | -3.4 | 112.2 | ||
| 35 | C | 36 | Very low | 46.4 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 90.4 | 22 | 159.2 | -62.6 | 0 | 0 | 0 | 0 | 123.6 | ||
| 36 | P | 42.1 | Very low | 47.9 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -86.9 | -36.4 | 156.5 | -10.4 | 26.2 | 0 | 0 | 0 | 112.5 | H40 | P36-H40 WeakPolarHBondContact O-CB 3.42Å; P36-H40 PolarHBondContact O-N 2.82Å |
| 37 | F | 37 | Very low | 49.1 | Very low | 180 Ų | 180 | 116.2 Ų | 116.2 | 79% | 0.789 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.2 | -40.2 | -170 | -162.4 | -98.3 | 0 | 0 | 0 | 113.3 | H40 G41 | F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.85Å; F37-G41 PolarHBondContact O-N 2.89Å |
| 38 | E | 42.8 | Very low | 50.4 | Low | 135 Ų | 135 | 114.2 Ų | 114.2 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -38 | 175.9 | -71.9 | -174.3 | 162.5 | 0 | 0 | 112.3 | H40 G41 R42 | E38-H40 VanDerWaalsContact C-N 3.33Å; E38-G41 PolarHBondContact O-N 3Å; E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.44Å |
| 39 | A | 54.4 | Low | 51.7 | Low | 49 Ų | 49 | 112.2 Ų | 112.2 | 41% | 0.405 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | R42 L43 | A39-R42 PolarHBondContact O-N 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.43Å |
| 40 | H | 57.2 | Low | 52.7 | Low | 47 Ų | 47 | 113.3 Ų | 113.3 | 22% | 0.218 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.6 | -157 | -89.4 | 0 | 0 | 0 | 112.5 | P36 F37 E38 R42 L43 R44 E69 | P36-H40 WeakPolarHBondContact O-CB 3.42Å; P36-H40 PolarHBondContact O-N 2.82Å; F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.85Å; E38-H40 VanDerWaalsContact C-N 3.33Å; H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 2.85Å; H40-L43 PolarHBondContact O-N 3.36Å; H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.3Å; H40-E69 IonicContact CE1-OE1 2.9Å; H40-E69 PolarHBondContact CE1-OE1 3.35Å; H40-E69 IonicContact ND1-OE1 3.32Å; H40-E69 PolarHBondContact ND1-OE1 3.48Å |
| 41 | G | 61 | Low | 53.5 | Low | 40 Ų | 40 | 105.6 Ų | 105.6 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F37 E38 S45 | F37-G41 PolarHBondContact O-N 2.89Å; E38-G41 PolarHBondContact O-N 3Å; G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.3Å; G41-S45 PolarHBondContact O-N 2.9Å |
| 42 | R | 64.6 | Low | 54.2 | Low | 197 Ų | 197 | 100 Ų | 100 | 74% | 0.743 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -43.5 | 175.2 | -75.1 | 179.8 | -174.7 | -103 | 2.1 | 112.5 | E38 A39 H40 S45 Q46 | E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.44Å; A39-R42 PolarHBondContact O-N 3.35Å; H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 2.85Å; R42-S45 PolarHBondContact O-N 3.29Å; R42-Q46 VanDerWaalsContact O-CB 3.29Å; R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 2.86Å |
| 43 | L | 62.6 | Low | 55.1 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.3 | -74.1 | 171.7 | 0 | 0 | 0 | 111.5 | A39 H40 Q46 F47 | A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.43Å; H40-L43 PolarHBondContact O-N 3.36Å; L43-Q46 PolarHBondContact O-N 3.4Å; L43-F47 WeakPolarHBondContact O-CB 3.4Å; L43-F47 PolarHBondContact O-N 3.4Å |
| 44 | R | 65.1 | Low | 56.1 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.1 | -175.8 | 175.9 | 172.8 | -173.9 | -2.2 | 110.9 | H40 Q46 F47 T48 F65 | H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.3Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; R44-Q46 PolarHBondContact O-N 3.17Å; R44-F47 PolarHBondContact O-N 2.98Å; R44-T48 WeakPolarHBondContact O-CG2 3.41Å; R44-T48 PolarHBondContact O-N 3.29Å; R44-T48 PolarHBondContact O-OG1 3.37Å; R44-F65 HydrophobicContact CG-CE1 4.4Å |
| 45 | S | 67.4 | Low | 57.6 | Low | 74 Ų | 74 | 92.3 Ų | 92.3 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.3 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | G41 R42 T48 S49 | G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.3Å; G41-S45 PolarHBondContact O-N 2.9Å; R42-S45 PolarHBondContact O-N 3.29Å; S45-T48 VanDerWaalsContact CA-OG1 3.31Å; S45-T48 WeakPolarHBondContact CA-OG1 3.3Å; S45-T48 PolarHBondContact O-N 2.9Å; S45-T48 PolarHBondContact O-OG1 2.89Å; S45-S49 VanDerWaalsContact O-CB 3.32Å; S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.4Å |
| 46 | Q | 67.3 | Low | 59 | Low | 83 Ų | 83 | 97.3 Ų | 97.3 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 178 | -172.7 | 178.5 | 42.1 | 0 | 0 | 110.7 | R42 L43 R44 S49 R50 | R42-Q46 VanDerWaalsContact O-CB 3.29Å; R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 2.86Å; L43-Q46 PolarHBondContact O-N 3.4Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; R44-Q46 PolarHBondContact O-N 3.17Å; Q46-S49 WeakPolarHBondContact CA-OG 3.35Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 2.93Å; Q46-R50 WeakPolarHBondContact O-CG 3.47Å; Q46-R50 PolarHBondContact O-N 3.45Å; Q46-R50 VanDerWaalsContact O-N 3.13Å |
| 47 | F | 61.7 | Low | 60 | Low | 22 Ų | 22 | 96.1 Ų | 96.1 | 10% | 0.096 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.1 | -170.2 | -108.1 | 0 | 0 | 0 | 111.3 | L43 R44 S49 R50 I51 F65 | L43-F47 WeakPolarHBondContact O-CB 3.4Å; L43-F47 PolarHBondContact O-N 3.4Å; R44-F47 PolarHBondContact O-N 2.98Å; F47-S49 VanDerWaalsContact C-N 3.27Å; F47-S49 PolarHBondContact O-N 3.27Å; F47-R50 PolarHBondContact O-N 3.3Å; F47-I51 HydrophobicContact CD1-CD1 3.65Å; F47-I51 HydrophobicContact CD2-CD1 4.37Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.38Å; F47-I51 HydrophobicContact CE2-CD1 3.95Å; F47-I51 HydrophobicContact CG-CD1 4.25Å; F47-I51 HydrophobicContact CZ-CD1 3.35Å; F47-I51 HydrophobicContact CZ-CG1 4.46Å; F47-I51 WeakPolarHBondContact O-CG1 3.42Å; F47-I51 PolarHBondContact O-N 2.78Å; F47-F65 HydrophobicContact CD1-CD1 4.47Å; F47-F65 AromaticContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CE2 4.28Å; F47-F65 HydrophobicContact CD1-CG 4.06Å; F47-F65 HydrophobicContact CE1-CB 3.81Å; F47-F65 AromaticContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CE2 4.42Å; F47-F65 AromaticContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CG-CE2 4.49Å; F47-F65 HydrophobicContact CZ-CB 4.46Å; F47-F65 HydrophobicContact CZ-CD2 4.04Å; F47-F65 HydrophobicContact CZ-CG 4.47Å |
| 48 | T | 63.1 | Low | 61.1 | Low | 52 Ų | 52 | 88 Ų | 88 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -25.2 | 176.7 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | R44 S45 L62 | R44-T48 WeakPolarHBondContact O-CG2 3.41Å; R44-T48 PolarHBondContact O-N 3.29Å; R44-T48 PolarHBondContact O-OG1 3.37Å; S45-T48 VanDerWaalsContact CA-OG1 3.31Å; S45-T48 WeakPolarHBondContact CA-OG1 3.3Å; S45-T48 PolarHBondContact O-N 2.9Å; S45-T48 PolarHBondContact O-OG1 2.89Å; T48-L62 HydrophobicContact CG2-CD1 3.9Å |
| 49 | S | 66.6 | Low | 62.4 | Low | 85 Ų | 85 | 82.8 Ų | 82.8 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76.7 | -27.8 | 174.4 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | S45 Q46 F47 | S45-S49 VanDerWaalsContact O-CB 3.32Å; S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.4Å; Q46-S49 WeakPolarHBondContact CA-OG 3.35Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 2.93Å; F47-S49 VanDerWaalsContact C-N 3.27Å; F47-S49 PolarHBondContact O-N 3.27Å |
| 50 | R | 64 | Low | 63.2 | Low | 131 Ų | 131 | 82.4 Ų | 82.4 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -82.2 | -33.8 | 176 | -71.3 | -178.4 | -172.8 | -165.3 | 4.7 | 111.6 | E10 Q46 F47 V52 | E10-R50 IonicContact OE1-CZ 3.83Å; E10-R50 IonicContact OE1-NH1 2.65Å; E10-R50 PolarHBondContact OE1-NH1 2.91Å; Q46-R50 WeakPolarHBondContact O-CG 3.47Å; Q46-R50 PolarHBondContact O-N 3.45Å; Q46-R50 VanDerWaalsContact O-N 3.13Å; F47-R50 PolarHBondContact O-N 3.3Å; R50-V52 PolarHBondContact O-N 3.35Å |
| 51 | I | 57.8 | Low | 63.6 | Low | 19 Ų | 19 | 80.7 Ų | 80.7 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -82.9 | 101.8 | 174.5 | -64.9 | -176.5 | 0 | 0 | 0 | 108 | F47 P53 A58 C61 | F47-I51 HydrophobicContact CD1-CD1 3.65Å; F47-I51 HydrophobicContact CD2-CD1 4.37Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.38Å; F47-I51 HydrophobicContact CE2-CD1 3.95Å; F47-I51 HydrophobicContact CG-CD1 4.25Å; F47-I51 HydrophobicContact CZ-CD1 3.35Å; F47-I51 HydrophobicContact CZ-CG1 4.46Å; F47-I51 WeakPolarHBondContact O-CG1 3.42Å; F47-I51 PolarHBondContact O-N 2.78Å; I51-P53 WeakPolarHBondContact O-CD 3.17Å; I51-A58 HydrophobicContact CG2-CB 3.26Å; I51-C61 HydrophobicContact CD1-CB 4.11Å |
| 52 | V | 56.4 | Low | 64 | Low | 62 Ų | 62 | 81.8 Ų | 81.8 | 38% | 0.376 | 40% | 0.402 | S | S | . | . | trans | -73.2 | 123.4 | 178.3 | -128.7 | 0 | 0 | 0 | 0 | 110.1 | R50 W54 A58 | R50-V52 PolarHBondContact O-N 3.35Å; V52-W54 HydrophobicContact CB-CD2 3.77Å; V52-W54 HydrophobicContact CB-CE3 4.34Å; V52-W54 HydrophobicContact CB-CG 4.31Å; V52-W54 HydrophobicContact CB-CH2 4.18Å; V52-W54 HydrophobicContact CB-CZ2 3.59Å; V52-W54 HydrophobicContact CG1-CD2 3.61Å; V52-W54 HydrophobicContact CG1-CE3 3.73Å; V52-W54 HydrophobicContact CG1-CH2 3.09Å; V52-W54 HydrophobicContact CG1-CZ2 2.95Å; V52-W54 HydrophobicContact CG1-CZ3 3.47Å; V52-W54 VanDerWaalsContact CG1-CZ3 3.47Å; V52-W54 HydrophobicContact CG2-CZ2 4.13Å; V52-W54 PolarHBondContact O-N 3.49Å; V52-A58 WeakPolarHBondContact O-CB 3.27Å | ||
| 53 | P | 57.8 | Low | 64.4 | Low | 108 Ų | 108 | 80 Ų | 80 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 5.5 | -161.5 | -20.6 | 32.6 | 0 | 0 | 0 | 116 | I51 | I51-P53 WeakPolarHBondContact O-CD 3.17Š|
| 54 | W | 59.2 | Low | 64.9 | Low | 205 Ų | 205 | 80.9 Ų | 80.9 | 78% | 0.777 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -10.4 | -166.7 | 37.9 | 72.8 | 0 | 0 | 0 | 115.2 | V52 | V52-W54 HydrophobicContact CB-CD2 3.77Å; V52-W54 HydrophobicContact CB-CE3 4.34Å; V52-W54 HydrophobicContact CB-CG 4.31Å; V52-W54 HydrophobicContact CB-CH2 4.18Å; V52-W54 HydrophobicContact CB-CZ2 3.59Å; V52-W54 HydrophobicContact CG1-CD2 3.61Å; V52-W54 HydrophobicContact CG1-CE3 3.73Å; V52-W54 HydrophobicContact CG1-CH2 3.09Å; V52-W54 HydrophobicContact CG1-CZ2 2.95Å; V52-W54 HydrophobicContact CG1-CZ3 3.47Å; V52-W54 VanDerWaalsContact CG1-CZ3 3.47Å; V52-W54 HydrophobicContact CG2-CZ2 4.13Å; V52-W54 PolarHBondContact O-N 3.49Å |
| 55 | T | 65.2 | Low | 65.2 | Low | 70 Ų | 70 | 76 Ų | 76 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -95.9 | 142.9 | 174.1 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | E57 A58 G59 | T55-E57 PolarHBondContact O-N 2.84Å; T55-A58 WeakPolarHBondContact O-CB 3.32Å; T55-A58 PolarHBondContact O-N 3.42Å; T55-A58 VanDerWaalsContact O-N 3.11Å; T55-A58 WeakPolarHBondContact OG1-CB 3.23Å; T55-A58 PolarHBondContact OG1-N 3.23Å; T55-G59 PolarHBondContact O-N 3.02Å; T55-G59 VanDerWaalsContact O-N 3.16Å |
| 56 | W | 66.3 | Low | 65.5 | Low | 194 Ų | 194 | 75 Ų | 75 | 74% | 0.735 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -51.5 | -40.9 | 168.7 | 164.2 | -98.5 | 0 | 0 | 0 | 111.2 | A58 G59 V60 | W56-A58 PolarHBondContact O-N 3.34Å; W56-G59 PolarHBondContact O-N 2.92Å; W56-G59 VanDerWaalsContact O-N 3.15Å; W56-V60 HydrophobicContact CD2-CG2 4.39Å; W56-V60 HydrophobicContact CZ2-CG2 4.05Å; W56-V60 WeakPolarHBondContact O-CG2 3.17Å; W56-V60 PolarHBondContact O-N 3.01Å |
| 57 | E | 62.4 | Low | 65.9 | Low | 74 Ų | 74 | 76.5 Ų | 76.5 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.3 | -60.4 | -173.4 | 155.8 | 0 | 0 | 112.5 | T55 G59 V60 C61 | T55-E57 PolarHBondContact O-N 2.84Å; E57-G59 VanDerWaalsContact C-N 3.32Å; E57-G59 PolarHBondContact O-N 3.12Å; E57-V60 PolarHBondContact O-N 3.27Å; E57-C61 PolarHBondContact O-N 2.8Å; E57-C61 PolarHBondContact O-SG 2.88Å; E57-C61 VanDerWaalsContact O-SG 3.41Å |
| 58 | A | 61.3 | Low | 66.5 | Low | 10 Ų | 10 | 78.7 Ų | 78.7 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I51 V52 T55 W56 V60 C61 L62 | I51-A58 HydrophobicContact CG2-CB 3.26Å; V52-A58 WeakPolarHBondContact O-CB 3.27Å; T55-A58 WeakPolarHBondContact O-CB 3.32Å; T55-A58 PolarHBondContact O-N 3.42Å; T55-A58 VanDerWaalsContact O-N 3.11Å; T55-A58 WeakPolarHBondContact OG1-CB 3.23Å; T55-A58 PolarHBondContact OG1-N 3.23Å; W56-A58 PolarHBondContact O-N 3.34Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 2.93Å; A58-C61 PolarHBondContact O-N 3.33Å; A58-L62 PolarHBondContact O-N 2.65Å |
| 59 | G | 68.4 | Low | 67.1 | Low | 26 Ų | 26 | 77.4 Ų | 77.4 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T55 W56 E57 R63 | T55-G59 PolarHBondContact O-N 3.02Å; T55-G59 VanDerWaalsContact O-N 3.16Å; W56-G59 PolarHBondContact O-N 2.92Å; W56-G59 VanDerWaalsContact O-N 3.15Å; E57-G59 VanDerWaalsContact C-N 3.32Å; E57-G59 PolarHBondContact O-N 3.12Å; G59-R63 PolarHBondContact O-N 2.89Å |
| 60 | V | 72.6 | Confident | 67.5 | Low | 41 Ų | 41 | 76.4 Ų | 76.4 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.3 | -49.3 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | W56 E57 A58 L62 R63 D64 | W56-V60 HydrophobicContact CD2-CG2 4.39Å; W56-V60 HydrophobicContact CZ2-CG2 4.05Å; W56-V60 WeakPolarHBondContact O-CG2 3.17Å; W56-V60 PolarHBondContact O-N 3.01Å; E57-V60 PolarHBondContact O-N 3.27Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 2.93Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 2.85Å; V60-R63 WeakPolarHBondContact O-CB 3.21Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-R63 VanDerWaalsContact O-N 3.1Å; V60-D64 PolarHBondContact O-N 2.82Å |
| 61 | C | 65.5 | Low | 67.9 | Low | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 178.7 | -67 | 0 | 0 | 0 | 0 | 113.1 | I51 E57 A58 D64 F65 | I51-C61 HydrophobicContact CD1-CB 4.11Å; E57-C61 PolarHBondContact O-N 2.8Å; E57-C61 PolarHBondContact O-SG 2.88Å; E57-C61 VanDerWaalsContact O-SG 3.41Å; A58-C61 PolarHBondContact O-N 3.33Å; C61-D64 PolarHBondContact O-N 3.38Å; C61-F65 WeakPolarHBondContact O-CB 3.48Å; C61-F65 PolarHBondContact O-N 2.9Å |
| 62 | L | 68.6 | Low | 68.5 | Low | 63 Ų | 63 | 74.5 Ų | 74.5 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 177.6 | -174.2 | 62.2 | 0 | 0 | 0 | 112.1 | T48 A58 V60 T66 | T48-L62 HydrophobicContact CG2-CD1 3.9Å; A58-L62 PolarHBondContact O-N 2.65Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 2.85Å; L62-T66 WeakPolarHBondContact O-CB 3.32Å; L62-T66 PolarHBondContact O-N 3.11Å; L62-T66 PolarHBondContact O-OG1 2.83Å |
| 63 | R | 73.5 | Confident | 69.2 | Low | 160 Ų | 160 | 75 Ų | 75 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.9 | -46.8 | 173.9 | -85.4 | -173.5 | -102.4 | -141.9 | -0.7 | 111.5 | G59 V60 F65 T66 H67 | G59-R63 PolarHBondContact O-N 2.89Å; V60-R63 WeakPolarHBondContact O-CB 3.21Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-R63 VanDerWaalsContact O-N 3.1Å; R63-F65 VanDerWaalsContact C-N 3.33Å; R63-F65 PolarHBondContact O-N 3.46Å; R63-T66 PolarHBondContact O-N 3.47Å; R63-H67 WeakPolarHBondContact O-CB 3.42Å; R63-H67 PolarHBondContact O-N 3.38Å |
| 64 | D | 72.3 | Confident | 69.7 | Low | 91 Ų | 91 | 76.2 Ų | 76.2 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.3 | -66.3 | -20.3 | 0 | 0 | 0 | 110.9 | V60 C61 H67 M68 | V60-D64 PolarHBondContact O-N 2.82Å; C61-D64 PolarHBondContact O-N 3.38Å; D64-H67 PolarHBondContact O-N 3.45Å; D64-M68 WeakPolarHBondContact O-CB 3.03Å; D64-M68 VanDerWaalsContact O-CG 3.3Å; D64-M68 WeakPolarHBondContact O-CG 3.28Å; D64-M68 PolarHBondContact O-N 3.47Å |
| 65 | F | 71.3 | Confident | 70 | Confident | 14 Ų | 14 | 71 Ų | 71 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.4 | -177.3 | -88.4 | 0 | 0 | 0 | 112 | M15 R44 F47 C61 R63 H67 M68 E69 | M15-F65 HydrophobicContact CE-CD2 3.61Å; M15-F65 HydrophobicContact CE-CE2 3.58Å; M15-F65 HydrophobicContact CG-CE2 4.04Å; M15-F65 HydrophobicContact SD-CD2 4.11Å; M15-F65 HydrophobicContact SD-CE2 3.56Å; M15-F65 VanDerWaalsContact SD-CE2 3.56Å; M15-F65 HydrophobicContact SD-CZ 4.31Å; R44-F65 HydrophobicContact CG-CE1 4.4Å; F47-F65 HydrophobicContact CD1-CD1 4.47Å; F47-F65 AromaticContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CE2 4.28Å; F47-F65 HydrophobicContact CD1-CG 4.06Å; F47-F65 HydrophobicContact CE1-CB 3.81Å; F47-F65 AromaticContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CE2 4.42Å; F47-F65 AromaticContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CG-CE2 4.49Å; F47-F65 HydrophobicContact CZ-CB 4.46Å; F47-F65 HydrophobicContact CZ-CD2 4.04Å; F47-F65 HydrophobicContact CZ-CG 4.47Å; C61-F65 WeakPolarHBondContact O-CB 3.48Å; C61-F65 PolarHBondContact O-N 2.9Å; R63-F65 VanDerWaalsContact C-N 3.33Å; R63-F65 PolarHBondContact O-N 3.46Å; F65-H67 VanDerWaalsContact C-N 3.29Å; F65-H67 PolarHBondContact O-N 2.95Å; F65-M68 PolarHBondContact O-N 3.38Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.36Å |
| 66 | T | 74 | Confident | 70 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | -179.9 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | L62 R63 S70 | L62-T66 WeakPolarHBondContact O-CB 3.32Å; L62-T66 PolarHBondContact O-N 3.11Å; L62-T66 PolarHBondContact O-OG1 2.83Å; R63-T66 PolarHBondContact O-N 3.47Å; T66-S70 WeakPolarHBondContact O-CB 3.33Å; T66-S70 PolarHBondContact O-N 2.82Å; T66-S70 PolarHBondContact O-OG 3.41Å |
| 67 | H | 76.3 | Confident | 69.8 | Low | 115 Ų | 115 | 68.3 Ų | 68.3 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 175.4 | -174.2 | 66.1 | 0 | 0 | 0 | 111.4 | R63 D64 F65 S70 L71 | R63-H67 WeakPolarHBondContact O-CB 3.42Å; R63-H67 PolarHBondContact O-N 3.38Å; D64-H67 PolarHBondContact O-N 3.45Å; F65-H67 VanDerWaalsContact C-N 3.29Å; F65-H67 PolarHBondContact O-N 2.95Å; H67-S70 WeakPolarHBondContact O-CB 3.42Å; H67-S70 PolarHBondContact O-N 3.25Å; H67-L71 WeakPolarHBondContact O-CG 3.46Å; H67-L71 PolarHBondContact O-N 2.94Å |
| 68 | M | 74.4 | Confident | 69.8 | Low | 69 Ų | 69 | 73.2 Ų | 73.2 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.5 | -71 | -63.6 | -71.5 | 0 | 0 | 112.2 | F12 D64 F65 S70 L71 M72 | F12-M68 HydrophobicContact CE1-CE 3.98Å; F12-M68 HydrophobicContact CZ-CE 4.27Å; D64-M68 WeakPolarHBondContact O-CB 3.03Å; D64-M68 VanDerWaalsContact O-CG 3.3Å; D64-M68 WeakPolarHBondContact O-CG 3.28Å; D64-M68 PolarHBondContact O-N 3.47Å; F65-M68 PolarHBondContact O-N 3.38Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; M68-L71 PolarHBondContact O-N 3.32Å; M68-L71 HydrophobicContact SD-CD1 4.27Å; M68-M72 WeakPolarHBondContact O-CG 3.5Å; M68-M72 PolarHBondContact O-N 2.97Å |
| 69 | E | 74.5 | Confident | 69.4 | Low | 25 Ų | 25 | 73.7 Ų | 73.7 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 173.2 | -177.7 | -176.9 | -173.9 | 0 | 0 | 111.2 | H40 F65 M72 N73 | H40-E69 IonicContact CE1-OE1 2.9Å; H40-E69 PolarHBondContact CE1-OE1 3.35Å; H40-E69 IonicContact ND1-OE1 3.32Å; H40-E69 PolarHBondContact ND1-OE1 3.48Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.36Å; E69-M72 PolarHBondContact O-N 3.41Å; E69-N73 WeakPolarHBondContact O-CB 2.88Å; E69-N73 PolarHBondContact O-N 3.32Å; E69-N73 PolarHBondContact O-ND2 2.74Å |
| 70 | S | 75.5 | Confident | 68.7 | Low | 64 Ų | 64 | 76.8 Ų | 76.8 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | T66 H67 M68 M72 N73 Y74 | T66-S70 WeakPolarHBondContact O-CB 3.33Å; T66-S70 PolarHBondContact O-N 2.82Å; T66-S70 PolarHBondContact O-OG 3.41Å; H67-S70 WeakPolarHBondContact O-CB 3.42Å; H67-S70 PolarHBondContact O-N 3.25Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; S70-M72 VanDerWaalsContact C-N 3.34Å; S70-M72 PolarHBondContact O-N 2.87Å; S70-N73 PolarHBondContact O-N 3.45Å; S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.4Å; S70-Y74 PolarHBondContact O-N 2.97Å |
| 71 | L | 72.3 | Confident | 67.6 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.7 | -75.3 | 175.1 | 0 | 0 | 0 | 111.7 | H67 M68 Y74 Q75 | H67-L71 WeakPolarHBondContact O-CG 3.46Å; H67-L71 PolarHBondContact O-N 2.94Å; M68-L71 PolarHBondContact O-N 3.32Å; M68-L71 HydrophobicContact SD-CD1 4.27Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.11Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.66Å |
| 72 | M | 71.5 | Confident | 66.6 | Low | 35 Ų | 35 | 79.8 Ų | 79.8 | 17% | 0.172 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.9 | -71.4 | -171.7 | -68.7 | 0 | 0 | 112 | M15 F17 M68 E69 S70 Y74 Q75 R76 | M15-M72 HydrophobicContact SD-CE 4.19Å; F17-M72 HydrophobicContact CE1-CE 4.16Å; F17-M72 HydrophobicContact CE1-SD 3.48Å; F17-M72 WeakPolarHBondContact CE1-SD 3.49Å; F17-M72 HydrophobicContact CZ-CE 4.07Å; F17-M72 HydrophobicContact CZ-SD 3.32Å; F17-M72 WeakPolarHBondContact CZ-SD 3.06Å; M68-M72 WeakPolarHBondContact O-CG 3.5Å; M68-M72 PolarHBondContact O-N 2.97Å; E69-M72 PolarHBondContact O-N 3.41Å; S70-M72 VanDerWaalsContact C-N 3.34Å; S70-M72 PolarHBondContact O-N 2.87Å; M72-Y74 VanDerWaalsContact C-N 3.3Å; M72-Y74 PolarHBondContact O-N 3.45Å; M72-Q75 PolarHBondContact O-N 3.44Å; M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 WeakPolarHBondContact O-CG 3.42Å; M72-R76 PolarHBondContact O-N 2.79Å |
| 73 | N | 69.9 | Low | 65.6 | Low | 74 Ų | 74 | 80.6 Ų | 80.6 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 175.1 | -74.8 | -24.3 | 0 | 0 | 0 | 111.6 | E69 S70 R76 S77 | E69-N73 WeakPolarHBondContact O-CB 2.88Å; E69-N73 PolarHBondContact O-N 3.32Å; E69-N73 PolarHBondContact O-ND2 2.74Å; S70-N73 PolarHBondContact O-N 3.45Å; N73-R76 PolarHBondContact O-N 2.77Å; N73-S77 WeakPolarHBondContact O-CB 3.25Å; N73-S77 PolarHBondContact O-N 2.95Å; N73-S77 PolarHBondContact O-OG 3.15Å |
| 74 | Y | 69 | Low | 64.2 | Low | 132 Ų | 132 | 77.3 Ų | 77.3 | 52% | 0.518 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 172.3 | 177 | -106.5 | 0 | 0 | 0 | 112.5 | S70 L71 M72 S77 R78 | S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.4Å; S70-Y74 PolarHBondContact O-N 2.97Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.11Å; M72-Y74 VanDerWaalsContact C-N 3.3Å; M72-Y74 PolarHBondContact O-N 3.45Å; Y74-S77 WeakPolarHBondContact CA-OG 3.27Å; Y74-S77 PolarHBondContact O-N 3.43Å; Y74-S77 PolarHBondContact O-OG 3.11Å; Y74-R78 HydrophobicContact CE1-CG 4.45Å; Y74-R78 HydrophobicContact CE2-CG 4.29Å; Y74-R78 VanDerWaalsContact CZ-CD 3.49Å; Y74-R78 WeakPolarHBondContact O-CB 3.15Å; Y74-R78 WeakPolarHBondContact O-CG 3.43Å; Y74-R78 PolarHBondContact O-N 2.72Å |
| 75 | Q | 65.3 | Low | 63 | Low | 97 Ų | 97 | 76.5 Ų | 76.5 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.1 | -75 | -176.1 | -2.5 | 0 | 0 | 111.8 | L71 M72 R78 S79 F84 | L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.66Å; M72-Q75 PolarHBondContact O-N 3.44Å; Q75-R78 PolarHBondContact O-N 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.34Å; Q75-S79 PolarHBondContact O-N 3.22Å; Q75-S79 PolarHBondContact O-OG 2.88Å; Q75-F84 HydrophobicContact CB-CE2 4.49Å |
| 76 | R | 64.6 | Low | 61.7 | Low | 129 Ų | 129 | 78.8 Ų | 78.8 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.1 | -77.4 | -177.8 | -173.1 | 152.4 | 1.2 | 111.7 | M72 N73 R78 S79 A80 | M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 WeakPolarHBondContact O-CG 3.42Å; M72-R76 PolarHBondContact O-N 2.79Å; N73-R76 PolarHBondContact O-N 2.77Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.19Å; R76-S79 WeakPolarHBondContact CA-OG 3.33Å; R76-S79 CarbonylContact O-C 3.54Å; R76-S79 PolarHBondContact O-N 2.66Å; R76-S79 VanDerWaalsContact O-N 3.11Å; R76-S79 PolarHBondContact O-OG 3.11Å; R76-A80 WeakPolarHBondContact O-CB 3.31Å; R76-A80 PolarHBondContact O-N 2.84Å |
| 77 | S | 62.7 | Low | 60.5 | Low | 77 Ų | 77 | 85 Ų | 85 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 178.3 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | N73 Y74 S79 | N73-S77 WeakPolarHBondContact O-CB 3.25Å; N73-S77 PolarHBondContact O-N 2.95Å; N73-S77 PolarHBondContact O-OG 3.15Å; Y74-S77 WeakPolarHBondContact CA-OG 3.27Å; Y74-S77 PolarHBondContact O-N 3.43Å; Y74-S77 PolarHBondContact O-OG 3.11Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 2.91Å |
| 78 | R | 61.4 | Low | 59.2 | Low | 178 Ų | 178 | 85.6 Ų | 85.6 | 67% | 0.672 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.8 | -27.1 | 171.9 | -78.2 | -170.8 | 65.7 | 179.2 | 3.1 | 114 | Y74 Q75 R76 | Y74-R78 HydrophobicContact CE1-CG 4.45Å; Y74-R78 HydrophobicContact CE2-CG 4.29Å; Y74-R78 VanDerWaalsContact CZ-CD 3.49Å; Y74-R78 WeakPolarHBondContact O-CB 3.15Å; Y74-R78 WeakPolarHBondContact O-CG 3.43Å; Y74-R78 PolarHBondContact O-N 2.72Å; Q75-R78 PolarHBondContact O-N 3.32Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.19Å |
| 79 | S | 53.6 | Low | 57.9 | Low | 20 Ų | 20 | 92.1 Ų | 92.1 | 14% | 0.14 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -102.8 | -3.3 | -178.7 | 56 | 0 | 0 | 0 | 0 | 114.3 | Q75 R76 S77 G81 A82 | Q75-S79 WeakPolarHBondContact O-CB 3.34Å; Q75-S79 PolarHBondContact O-N 3.22Å; Q75-S79 PolarHBondContact O-OG 2.88Å; R76-S79 WeakPolarHBondContact CA-OG 3.33Å; R76-S79 CarbonylContact O-C 3.54Å; R76-S79 PolarHBondContact O-N 2.66Å; R76-S79 VanDerWaalsContact O-N 3.11Å; R76-S79 PolarHBondContact O-OG 3.11Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 2.91Å; S79-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact O-N 3.11Å; S79-A82 WeakPolarHBondContact CA-O 3.43Å; S79-A82 VanDerWaalsContact CB-O 3.31Å; S79-A82 WeakPolarHBondContact CB-O 3.48Å; S79-A82 CarbonylContact O-C 3.5Å; S79-A82 PolarHBondContact O-N 3.22Å |
| 80 | A | 54.1 | Low | 56.3 | Low | 91 Ų | 91 | 99.1 Ų | 99.1 | 75% | 0.752 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | R76 | R76-A80 WeakPolarHBondContact O-CB 3.31Å; R76-A80 PolarHBondContact O-N 2.84Å |
| 81 | G | 49.2 | Very low | 54.7 | Low | 79 Ų | 79 | 100.3 Ų | 100.3 | 81% | 0.814 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S79 | S79-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact O-N 3.11Å |
| 82 | A | 44.6 | Very low | 53.5 | Low | 36 Ų | 36 | 102.5 Ų | 102.5 | 30% | 0.298 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -158.6 | 100.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S79 F84 | S79-A82 WeakPolarHBondContact CA-O 3.43Å; S79-A82 VanDerWaalsContact CB-O 3.31Å; S79-A82 WeakPolarHBondContact CB-O 3.48Å; S79-A82 CarbonylContact O-C 3.5Å; S79-A82 PolarHBondContact O-N 3.22Å; A82-F84 PolarHBondContact O-N 2.71Å |
| 83 | S | 47.8 | Very low | 52.4 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | trans | -22.2 | 92.2 | 173.9 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | A85 A86 | S83-A85 PolarHBondContact O-N 2.75Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-A86 VanDerWaalsContact O-N 3.09Å; S83-A86 VanDerWaalsContact OG-CB 3.32Å; S83-A86 WeakPolarHBondContact OG-CB 3.32Å | ||
| 84 | F | 44.6 | Very low | 51.2 | Low | 90 Ų | 90 | 110 Ų | 110 | 40% | 0.395 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.7 | -34.2 | 175.4 | -160.2 | -112.9 | 0 | 0 | 0 | 111.6 | Q75 A82 A86 R87 L88 | Q75-F84 HydrophobicContact CB-CE2 4.49Å; A82-F84 PolarHBondContact O-N 2.71Å; F84-A86 PolarHBondContact O-N 3.05Å; F84-R87 PolarHBondContact O-N 3.09Å; F84-L88 HydrophobicContact CD1-CD1 3.8Å; F84-L88 HydrophobicContact CE1-CD1 3.38Å; F84-L88 HydrophobicContact CE1-CG 4.5Å; F84-L88 HydrophobicContact CZ-CD1 4.01Å |
| 85 | A | 45.9 | Very low | 50.2 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60 | -26.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | S83 W89 | S83-A85 PolarHBondContact O-N 2.75Å; A85-W89 VanDerWaalsContact O-CD1 3.29Å |
| 86 | A | 44.4 | Very low | 49.3 | Very low | 61 Ų | 61 | 111 Ų | 111 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -82.9 | -20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S83 F84 | S83-A86 PolarHBondContact O-N 2.85Å; S83-A86 VanDerWaalsContact O-N 3.09Å; S83-A86 VanDerWaalsContact OG-CB 3.32Å; S83-A86 WeakPolarHBondContact OG-CB 3.32Å; F84-A86 PolarHBondContact O-N 3.05Å |
| 87 | R | 48.2 | Very low | 48.4 | Very low | 185 Ų | 185 | 110 Ų | 110 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -91.6 | -25.5 | -177.7 | -67.1 | -173.9 | -153.3 | -134.6 | 1.1 | 113.7 | F84 | F84-R87 PolarHBondContact O-N 3.09Å |
| 88 | L | 48.7 | Very low | 47.6 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 67% | 0.665 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -12.5 | 177.5 | -77.8 | 166 | 0 | 0 | 0 | 113.6 | F84 | F84-L88 HydrophobicContact CD1-CD1 3.8Å; F84-L88 HydrophobicContact CE1-CD1 3.38Å; F84-L88 HydrophobicContact CE1-CG 4.5Å; F84-L88 HydrophobicContact CZ-CD1 4.01Å |
| 89 | W | 47.7 | Very low | 47.3 | Very low | 205 Ų | 205 | 112 Ų | 112 | 78% | 0.777 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 9.8 | 176.5 | -84.8 | 84.4 | 0 | 0 | 0 | 114.3 | A85 P91 | A85-W89 VanDerWaalsContact O-CD1 3.29Å; W89-P91 WeakPolarHBondContact O-CD 2.93Å |
| 90 | K | 40.4 | Very low | 47.3 | Very low | 173 Ų | 173 | 117.2 Ų | 117.2 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | -76.1 | 106 | 162.2 | -88.7 | -164.7 | 174.6 | -165.8 | 0 | 107.7 | ||||
| 91 | P | 43.4 | Very low | 47.2 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | trans | -53.8 | 142.6 | 164.1 | 24.1 | -32.6 | 0 | 0 | 0 | 108 | W89 N93 | W89-P91 WeakPolarHBondContact O-CD 2.93Å; P91-N93 PolarHBondContact O-N 2.97Å | ||
| 92 | P | 46.9 | Very low | 47.3 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -56.2 | 116 | 173 | 24.4 | -30.9 | 0 | 0 | 0 | 107 | T94 | P92-T94 PolarHBondContact O-N 2.78Š|
| 93 | N | 47.6 | Very low | 47.3 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | trans | -18.1 | 88.5 | 178.2 | -84.6 | -23.7 | 0 | 0 | 0 | 113.3 | P91 G95 | P91-N93 PolarHBondContact O-N 2.97Å; N93-G95 PolarHBondContact O-N 3.03Å | ||
| 94 | T | 45.2 | Very low | 47.6 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | trans | -81.1 | 75.7 | 164 | 42.9 | 0 | 0 | 0 | 0 | 106.8 | P92 Q96 | P92-T94 PolarHBondContact O-N 2.78Å; T94-Q96 PolarHBondContact O-N 3.07Å | ||
| 95 | G | 48.2 | Very low | 47.4 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 35 | 28.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | N93 | N93-G95 PolarHBondContact O-N 3.03Š|
| 96 | Q | 46.9 | Very low | 47.2 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -104.5 | 126.4 | 178.6 | -81.9 | -169.4 | -106.7 | 0 | 0 | 110.1 | T94 E98 | T94-Q96 PolarHBondContact O-N 3.07Å; Q96-E98 PolarHBondContact O-N 3.43Å | ||
| 97 | P | 45 | Very low | 47.4 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -64.3 | 133.5 | 175.5 | 26.6 | -31.3 | 0 | 0 | 0 | 109.5 | V99 | P97-V99 PolarHBondContact O-N 2.67Š| ||
| 98 | E | 46.7 | Very low | 47.4 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -57.9 | 107.2 | 169.3 | -165.5 | 171.4 | 131 | 0 | 0 | 108 | Q96 D100 | Q96-E98 PolarHBondContact O-N 3.43Å; E98-D100 PolarHBondContact O-N 3.05Å | ||
| 99 | V | 54.8 | Low | 47.3 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 61% | 0.606 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 106.6 | 173 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | P97 H101 | P97-V99 PolarHBondContact O-N 2.67Å; V99-H101 VanDerWaalsContact CG1-CE1 3.45Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.45Å; V99-H101 PolarHBondContact O-N 2.87Å | ||
| 100 | D | 53.5 | Low | 47.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | -65.5 | 97.8 | 172.5 | -172.9 | 11.4 | 0 | 0 | 0 | 109.4 | E98 S102 | E98-D100 PolarHBondContact O-N 3.05Å; D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.34Å | ||
| 101 | H | 51.6 | Low | 47.7 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -90.8 | 56.3 | 167.8 | -69.7 | -55 | 0 | 0 | 0 | 110 | V99 P103 | V99-H101 VanDerWaalsContact CG1-CE1 3.45Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.45Å; V99-H101 PolarHBondContact O-N 2.87Å; H101-P103 WeakPolarHBondContact O-CD 3.42Å | ||
| 102 | S | 51.1 | Low | 48 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 46% | 0.455 | 78% | 0.781 | S | S | . | * | trans | -77.7 | 118.9 | 165.5 | -155.6 | 0 | 0 | 0 | 0 | 109.3 | D100 K104 | D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.34Å; S102-K104 PolarHBondContact O-N 3.01Å | ||
| 103 | P | 45.6 | Very low | 48.1 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 79.7 | 171.5 | 32.1 | -30.2 | 0 | 0 | 0 | 107.8 | H101 G105 | H101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-G105 VanDerWaalsContact C-N 3.34Å; P103-G105 PolarHBondContact O-N 3.25Å | ||
| 104 | K | 52.6 | Low | 48.1 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 93.6 | 168.8 | -81.3 | -177.5 | 178.5 | 171.3 | 0 | 108.7 | S102 | S102-K104 PolarHBondContact O-N 3.01Š| ||
| 105 | G | 41.9 | Very low | 48.3 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 38.3 | 105.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | P103 L107 | P103-G105 VanDerWaalsContact C-N 3.34Å; P103-G105 PolarHBondContact O-N 3.25Å; G105-L107 PolarHBondContact O-N 3.27Å | ||
| 106 | I | 40.2 | Very low | 48.3 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 92% | 0.918 | 79% | 0.785 | S | S | * | * | trans | -66.7 | 108.8 | 151 | -61.1 | 167 | 0 | 0 | 0 | 106.5 | ||||
| 107 | L | 49.9 | Very low | 48.4 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 100% | 1.246 | 78% | 0.783 | S | S | * | * | trans | -148.1 | 0 | 157.8 | -112.3 | 161.1 | 0 | 0 | 0 | 107.8 | G105 | G105-L107 PolarHBondContact O-N 3.27Š|
Retrieved 107 of 107 residues in 189.4 ms
(Link to these results)