| 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 | 40.4 | Very low | 63.7 | Low | 197 Ų | 197 | 102.2 Ų | 102.2 | 97% | 0.97 | 54% | 0.535 | S | S | * | . | 0 | -28 | 0 | -73.7 | -59 | -139.6 | 0 | 0 | 114.5 | Y3 L4 | M1-Y3 PolarHBondContact O-N 2.84Å; M1-L4 HydrophobicContact SD-CD1 4.43Å | |||
| 2 | A | 48.1 | Very low | 65.6 | Low | 72 Ų | 72 | 98.6 Ų | 98.6 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L4 R5 | A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.13Å; A2-R5 PolarHBondContact O-N 2.97Å |
| 3 | Y | 51.4 | Low | 67.3 | Low | 145 Ų | 145 | 95.8 Ų | 95.8 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.5 | -11.1 | -176.4 | -53.6 | -77.3 | 0 | 0 | 0 | 115.8 | M1 T6 V108 | M1-Y3 PolarHBondContact O-N 2.84Å; Y3-T6 VanDerWaalsContact C-OG1 3.26Å; Y3-T6 PolarHBondContact O-OG1 3.42Å; Y3-V108 HydrophobicContact CE1-CG1 4.41Å; Y3-V108 HydrophobicContact CE1-CG2 4.09Å |
| 4 | L | 49 | Very low | 68.7 | Low | 125 Ų | 125 | 91.4 Ų | 91.4 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -90.4 | -30.8 | 178 | -67.5 | 175.9 | 0 | 0 | 0 | 112.1 | M1 A2 T6 G7 | M1-L4 HydrophobicContact SD-CD1 4.43Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.13Å; L4-T6 PolarHBondContact O-N 3.42Å; L4-G7 PolarHBondContact O-N 2.74Å |
| 5 | R | 49.6 | Very low | 69.9 | Low | 196 Ų | 196 | 92.9 Ų | 92.9 | 74% | 0.74 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -32.9 | 173.8 | -74.4 | -174 | 169.3 | -177.1 | -4.1 | 111.6 | A2 G7 E9 | A2-R5 PolarHBondContact O-N 2.97Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 3.35Å; R5-E9 WeakPolarHBondContact O-CG 3.33Å |
| 6 | T | 63.6 | Low | 71.1 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 34% | 0.344 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -23 | -178.2 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | Y3 L4 F10 | Y3-T6 VanDerWaalsContact C-OG1 3.26Å; Y3-T6 PolarHBondContact O-OG1 3.42Å; L4-T6 PolarHBondContact O-N 3.42Å; T6-F10 WeakPolarHBondContact O-CA 3.48Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 PolarHBondContact O-N 3.36Å |
| 7 | G | 70.6 | Confident | 72 | Confident | 31 Ų | 31 | 86.2 Ų | 86.2 | 32% | 0.32 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.6 | -57.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L4 R5 E9 F10 I11 | L4-G7 PolarHBondContact O-N 2.74Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 3.35Å; G7-E9 PolarHBondContact O-N 3.29Å; G7-F10 PolarHBondContact O-N 3.37Å; G7-I11 VanDerWaalsContact O-CG1 3.3Å; G7-I11 WeakPolarHBondContact O-CG1 3.39Å; G7-I11 PolarHBondContact O-N 3.05Å |
| 8 | A | 76.2 | Confident | 72.8 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F10 I11 A12 | A8-F10 VanDerWaalsContact C-N 3.33Å; A8-F10 PolarHBondContact O-N 3.46Å; A8-I11 PolarHBondContact O-N 2.89Å; A8-A12 WeakPolarHBondContact O-CB 3.49Å; A8-A12 PolarHBondContact O-N 3.49Å |
| 9 | E | 83.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 84.8 Ų | 84.8 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 174.7 | -68 | 171.5 | 179.8 | 0 | 0 | 111.4 | R5 G7 A12 S13 | R5-E9 WeakPolarHBondContact O-CG 3.33Å; G7-E9 PolarHBondContact O-N 3.29Å; E9-A12 PolarHBondContact O-N 3.46Å; E9-S13 VanDerWaalsContact O-CB 3.24Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.33Å |
| 10 | F | 84.8 | Confident | 74.4 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 176.1 | 178.9 | -94.8 | 0 | 0 | 0 | 111.9 | T6 G7 A8 A12 S13 Y14 I99 P100 E103 P104 | T6-F10 WeakPolarHBondContact O-CA 3.48Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 PolarHBondContact O-N 3.36Å; G7-F10 PolarHBondContact O-N 3.37Å; A8-F10 VanDerWaalsContact C-N 3.33Å; A8-F10 PolarHBondContact O-N 3.46Å; F10-A12 PolarHBondContact O-N 2.9Å; F10-S13 PolarHBondContact O-N 2.95Å; F10-Y14 WeakPolarHBondContact O-CB 3.33Å; F10-Y14 PolarHBondContact O-N 3.13Å; F10-I99 HydrophobicContact CE1-CG2 4.46Å; F10-P100 HydrophobicContact CE1-CB 4.22Å; F10-P100 HydrophobicContact CE1-CG 3.74Å; F10-P100 WeakPolarHBondContact CE1-O 3.3Å; F10-P100 HydrophobicContact CZ-CB 4.09Å; F10-P100 HydrophobicContact CZ-CG 3.67Å; F10-P100 WeakPolarHBondContact CZ-O 3.49Å; F10-E103 HydrophobicContact CE1-CB 4.34Å; F10-E103 HydrophobicContact CE2-CB 3.95Å; F10-E103 HydrophobicContact CE2-CG 3.94Å; F10-E103 HydrophobicContact CZ-CB 3.49Å; F10-E103 VanDerWaalsContact CZ-CB 3.49Å; F10-E103 HydrophobicContact CZ-CG 3.85Å; F10-P104 HydrophobicContact CB-CG 4.25Å; F10-P104 HydrophobicContact CD1-CG 3.97Å; F10-P104 HydrophobicContact CD2-CG 3.88Å; F10-P104 HydrophobicContact CE1-CG 4.29Å; F10-P104 HydrophobicContact CE2-CG 4.19Å; F10-P104 HydrophobicContact CG-CG 3.75Å; F10-P104 HydrophobicContact CZ-CG 4.39Å |
| 11 | I | 83.9 | Confident | 75.2 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 176.1 | -65.9 | 168 | 0 | 0 | 0 | 110.4 | G7 A8 S13 Y14 R15 I99 | G7-I11 VanDerWaalsContact O-CG1 3.3Å; G7-I11 WeakPolarHBondContact O-CG1 3.39Å; G7-I11 PolarHBondContact O-N 3.05Å; A8-I11 PolarHBondContact O-N 2.89Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.2Å; I11-Y14 PolarHBondContact O-N 2.9Å; I11-R15 WeakPolarHBondContact O-CB 3.43Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.12Å; I11-I99 HydrophobicContact CD1-CD1 4.32Å; I11-I99 HydrophobicContact CG1-CD1 4.12Å; I11-I99 HydrophobicContact CG1-CG2 3.87Å; I11-I99 HydrophobicContact CG2-CD1 3.84Å |
| 12 | A | 85.7 | Confident | 77.8 | Confident | 59 Ų | 59 | 80.7 Ų | 80.7 | 49% | 0.488 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A8 E9 F10 R15 S16 | A8-A12 WeakPolarHBondContact O-CB 3.49Å; A8-A12 PolarHBondContact O-N 3.49Å; E9-A12 PolarHBondContact O-N 3.46Å; F10-A12 PolarHBondContact O-N 2.9Å; A12-R15 PolarHBondContact O-N 2.71Å; A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.44Å; A12-S16 PolarHBondContact O-OG 3.31Å |
| 13 | S | 87.8 | Confident | 80 | Confident | 62 Ų | 62 | 82 Ų | 82 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | E9 F10 I11 S16 S17 | E9-S13 VanDerWaalsContact O-CB 3.24Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.33Å; F10-S13 PolarHBondContact O-N 2.95Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.2Å; S13-S16 WeakPolarHBondContact CA-OG 3.37Å; S13-S16 PolarHBondContact O-N 3.03Å; S13-S16 PolarHBondContact O-OG 3.4Å; S13-S17 PolarHBondContact O-N 2.94Å |
| 14 | Y | 87.4 | Confident | 82.1 | Confident | 35 Ų | 35 | 80.5 Ų | 80.5 | 14% | 0.137 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.6 | -179.7 | -108.9 | 0 | 0 | 0 | 111.6 | F10 I11 S16 S17 L18 D98 P100 | F10-Y14 WeakPolarHBondContact O-CB 3.33Å; F10-Y14 PolarHBondContact O-N 3.13Å; I11-Y14 PolarHBondContact O-N 2.9Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.39Å; Y14-S17 WeakPolarHBondContact O-CA 3.39Å; Y14-S17 VanDerWaalsContact O-CB 3.3Å; Y14-S17 WeakPolarHBondContact O-CB 3.44Å; Y14-S17 PolarHBondContact O-N 3.22Å; Y14-S17 PolarHBondContact O-OG 2.96Å; Y14-L18 HydrophobicContact CE1-CD1 4.37Å; Y14-L18 PolarHBondContact O-N 2.72Å; Y14-D98 VanDerWaalsContact CE1-O 3.25Å; Y14-D98 WeakPolarHBondContact CE1-O 3.42Å; Y14-D98 PolarHBondContact OH-O 3.28Å; Y14-P100 VanDerWaalsContact CD1-CD 3.44Å; Y14-P100 HydrophobicContact CD1-CG 4.27Å; Y14-P100 HydrophobicContact CD2-CG 3.37Å; Y14-P100 VanDerWaalsContact CE1-CD 3.43Å; Y14-P100 HydrophobicContact CE1-CG 4.34Å; Y14-P100 HydrophobicContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CG-CD 3.46Å; Y14-P100 HydrophobicContact CG-CG 3.8Å; Y14-P100 VanDerWaalsContact CZ-CD 3.46Å |
| 15 | R | 87.1 | Confident | 84.3 | Confident | 113 Ų | 113 | 79.7 Ų | 79.7 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 176 | -71.9 | 176.5 | 176.5 | 177.9 | -2.3 | 111.7 | I11 A12 S17 L18 N19 | I11-R15 WeakPolarHBondContact O-CB 3.43Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.12Å; A12-R15 PolarHBondContact O-N 2.71Å; R15-S17 PolarHBondContact O-N 3.44Å; R15-L18 WeakPolarHBondContact O-CB 3.48Å; R15-L18 PolarHBondContact O-N 3.46Å; R15-N19 PolarHBondContact O-N 2.8Å |
| 16 | S | 88 | Confident | 86.3 | Confident | 43 Ų | 43 | 74 Ų | 74 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 174.7 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | A12 S13 Y14 L18 N19 R20 | A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.44Å; A12-S16 PolarHBondContact O-OG 3.31Å; S13-S16 WeakPolarHBondContact CA-OG 3.37Å; S13-S16 PolarHBondContact O-N 3.03Å; S13-S16 PolarHBondContact O-OG 3.4Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.39Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.86Å; S16-N19 PolarHBondContact O-N 3.46Å; S16-R20 WeakPolarHBondContact O-CG 3.42Å; S16-R20 PolarHBondContact O-N 2.93Å; S16-R20 VanDerWaalsContact O-N 3.15Å; S16-R20 PolarHBondContact O-NH1 3.38Å; S16-R20 PolarHBondContact OG-NH1 3.15Å |
| 17 | S | 87.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 76.9 Ų | 76.9 | 20% | 0.203 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 177.3 | 83.3 | 0 | 0 | 0 | 0 | 112.8 | S13 Y14 R15 R20 | S13-S17 PolarHBondContact O-N 2.94Å; Y14-S17 WeakPolarHBondContact O-CA 3.39Å; Y14-S17 VanDerWaalsContact O-CB 3.3Å; Y14-S17 WeakPolarHBondContact O-CB 3.44Å; Y14-S17 PolarHBondContact O-N 3.22Å; Y14-S17 PolarHBondContact O-OG 2.96Å; R15-S17 PolarHBondContact O-N 3.44Å; S17-R20 PolarHBondContact O-N 2.98Å |
| 18 | L | 86.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 173.6 | -63.2 | 175.3 | 0 | 0 | 0 | 110.6 | Y14 R15 S16 R20 M21 K29 | Y14-L18 HydrophobicContact CE1-CD1 4.37Å; Y14-L18 PolarHBondContact O-N 2.72Å; R15-L18 WeakPolarHBondContact O-CB 3.48Å; R15-L18 PolarHBondContact O-N 3.46Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.86Å; L18-R20 PolarHBondContact O-N 3.37Å; L18-M21 HydrophobicContact CD2-CE 4.25Å; L18-M21 WeakPolarHBondContact O-CB 3.4Å; L18-M21 PolarHBondContact O-N 3.48Å; L18-M21 VanDerWaalsContact O-N 3.17Å; L18-K29 HydrophobicContact CD2-CD 4.01Å |
| 19 | N | 87.3 | Confident | 89.7 | Confident | 127 Ų | 127 | 80.2 Ų | 80.2 | 68% | 0.679 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.4 | -21.4 | -179.4 | -63.6 | -27.9 | 0 | 0 | 0 | 113.5 | R15 S16 M21 | R15-N19 PolarHBondContact O-N 2.8Å; S16-N19 PolarHBondContact O-N 3.46Å; N19-M21 VanDerWaalsContact C-N 3.33Å |
| 20 | R | 90.7 | Very high | 90.2 | Very high | 167 Ų | 167 | 78.6 Ų | 78.6 | 63% | 0.63 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14.8 | 175.8 | -73.7 | -168.4 | -62.3 | -87.2 | 4.5 | 113.6 | S16 S17 L18 | S16-R20 WeakPolarHBondContact O-CG 3.42Å; S16-R20 PolarHBondContact O-N 2.93Å; S16-R20 VanDerWaalsContact O-N 3.15Å; S16-R20 PolarHBondContact O-NH1 3.38Å; S16-R20 PolarHBondContact OG-NH1 3.15Å; S17-R20 PolarHBondContact O-N 2.98Å; L18-R20 PolarHBondContact O-N 3.37Å |
| 21 | M | 91 | Very high | 90.6 | Very high | 55 Ų | 55 | 83.3 Ų | 83.3 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71.3 | 149.5 | -179.8 | -64.9 | 179.8 | -172.4 | 0 | 0 | 110.8 | L18 N19 Q25 Q26 K29 | L18-M21 HydrophobicContact CD2-CE 4.25Å; L18-M21 WeakPolarHBondContact O-CB 3.4Å; L18-M21 PolarHBondContact O-N 3.48Å; L18-M21 VanDerWaalsContact O-N 3.17Å; N19-M21 VanDerWaalsContact C-N 3.33Å; M21-Q25 HydrophobicContact CB-CB 3.95Å; M21-Q26 HydrophobicContact CB-CG 3.74Å; M21-Q26 PolarHBondContact O-NE2 3.17Å; M21-K29 HydrophobicContact CE-CD 4.13Å; M21-K29 HydrophobicContact SD-CD 3.87Å |
| 22 | S | 94.8 | Very high | 91 | Very high | 59 Ų | 59 | 82.6 Ų | 82.6 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | trans | -64.5 | 156.9 | 171.7 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | L24 Q25 Q26 | S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.37Å; S22-Q25 WeakPolarHBondContact O-CA 3.21Å; S22-Q25 WeakPolarHBondContact O-CB 3.1Å; S22-Q25 PolarHBondContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.35Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 2.73Å; S22-Q26 WeakPolarHBondContact O-CG 3.47Å; S22-Q26 PolarHBondContact O-N 3.31Å | ||
| 23 | D | 94.3 | Very high | 91.4 | Very high | 99 Ų | 99 | 80.4 Ų | 80.4 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.1 | -42.3 | 179.7 | 175.5 | 56.2 | 0 | 0 | 0 | 112.5 | Q25 Q26 K27 | D23-Q25 PolarHBondContact O-N 2.94Å; D23-Q26 PolarHBondContact O-N 3.12Å; D23-K27 WeakPolarHBondContact O-CB 3.34Å; D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 3.38Å; D23-K27 VanDerWaalsContact OD1-CE 3.28Å; D23-K27 WeakPolarHBondContact OD1-CE 3.35Å; D23-K27 IonicContact OD1-NZ 2.79Å; D23-K27 PolarHBondContact OD1-NZ 3.42Å; D23-K27 WeakPolarHBondContact OD2-CE 3.46Å; D23-K27 IonicContact OD2-NZ 3.82Å; D23-K27 PolarHBondContact OD2-NZ 3.47Å |
| 24 | L | 94.7 | Very high | 91.6 | Very high | 114 Ų | 114 | 81.4 Ų | 81.4 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 175.4 | -178.2 | 64.4 | 0 | 0 | 0 | 112 | S22 K27 I28 | S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.37Å; L24-K27 PolarHBondContact O-N 3.05Å; L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.33Å; L24-I28 HydrophobicContact CD2-CD1 4.48Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.97Å |
| 25 | Q | 94.6 | Very high | 91.8 | Very high | 108 Ų | 108 | 84.7 Ų | 84.7 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.5 | -74.6 | 171.1 | -20.4 | 0 | 0 | 111.6 | M21 S22 D23 I28 K29 | M21-Q25 HydrophobicContact CB-CB 3.95Å; S22-Q25 WeakPolarHBondContact O-CA 3.21Å; S22-Q25 WeakPolarHBondContact O-CB 3.1Å; S22-Q25 PolarHBondContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.35Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 2.73Å; D23-Q25 PolarHBondContact O-N 2.94Å; Q25-I28 PolarHBondContact O-N 2.87Å; Q25-K29 VanDerWaalsContact O-CB 3.27Å; Q25-K29 WeakPolarHBondContact O-CB 3.42Å; Q25-K29 PolarHBondContact O-N 2.98Å |
| 26 | Q | 92.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 80.2 Ų | 80.2 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.6 | -66.4 | -178.7 | 28.6 | 0 | 0 | 111 | M21 S22 D23 K29 M30 | M21-Q26 HydrophobicContact CB-CG 3.74Å; M21-Q26 PolarHBondContact O-NE2 3.17Å; S22-Q26 WeakPolarHBondContact O-CG 3.47Å; S22-Q26 PolarHBondContact O-N 3.31Å; D23-Q26 PolarHBondContact O-N 3.12Å; Q26-K29 PolarHBondContact O-N 3.19Å; Q26-M30 VanDerWaalsContact O-CB 3.26Å; Q26-M30 WeakPolarHBondContact O-CB 3.35Å; Q26-M30 PolarHBondContact O-N 2.85Å |
| 27 | K | 93.8 | Very high | 92.4 | Very high | 117 Ų | 117 | 83.6 Ų | 83.6 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.8 | -75.4 | 170.7 | 177.6 | 165.3 | 0 | 112.6 | D23 L24 M30 F31 | D23-K27 WeakPolarHBondContact O-CB 3.34Å; D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 3.38Å; D23-K27 VanDerWaalsContact OD1-CE 3.28Å; D23-K27 WeakPolarHBondContact OD1-CE 3.35Å; D23-K27 IonicContact OD1-NZ 2.79Å; D23-K27 PolarHBondContact OD1-NZ 3.42Å; D23-K27 WeakPolarHBondContact OD2-CE 3.46Å; D23-K27 IonicContact OD2-NZ 3.82Å; D23-K27 PolarHBondContact OD2-NZ 3.47Å; L24-K27 PolarHBondContact O-N 3.05Å; K27-M30 PolarHBondContact O-N 3.41Å; K27-F31 VanDerWaalsContact O-CB 3.31Å; K27-F31 WeakPolarHBondContact O-CB 3.46Å; K27-F31 PolarHBondContact O-N 3.37Å |
| 28 | I | 95.4 | Very high | 92.7 | Very high | 109 Ų | 109 | 83.9 Ų | 83.9 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.6 | -45.6 | 176.6 | -69.3 | 168.8 | 0 | 0 | 0 | 110.4 | L24 Q25 F31 G32 | L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.33Å; L24-I28 HydrophobicContact CD2-CD1 4.48Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.97Å; Q25-I28 PolarHBondContact O-N 2.87Å; I28-F31 PolarHBondContact O-N 3.29Å; I28-G32 PolarHBondContact O-N 3.05Å |
| 29 | K | 92.4 | Very high | 93.2 | Very high | 66 Ų | 66 | 83 Ų | 83 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 179.1 | -170.6 | 176.9 | 177.5 | 172.6 | 0 | 111.5 | L18 M21 Q25 Q26 G32 F33 I95 | L18-K29 HydrophobicContact CD2-CD 4.01Å; M21-K29 HydrophobicContact CE-CD 4.13Å; M21-K29 HydrophobicContact SD-CD 3.87Å; Q25-K29 VanDerWaalsContact O-CB 3.27Å; Q25-K29 WeakPolarHBondContact O-CB 3.42Å; Q25-K29 PolarHBondContact O-N 2.98Å; Q26-K29 PolarHBondContact O-N 3.19Å; K29-G32 PolarHBondContact O-N 3.13Å; K29-F33 WeakPolarHBondContact O-CB 3.33Å; K29-F33 PolarHBondContact O-N 3.01Å; K29-I95 HydrophobicContact CD-CD1 4.04Å; K29-I95 HydrophobicContact CG-CD1 3.89Å |
| 30 | M | 92.8 | Very high | 93.5 | Very high | 90 Ų | 90 | 79 Ų | 79 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 178.1 | -175 | 146 | 61 | 0 | 0 | 111.9 | Q26 K27 F33 N34 | Q26-M30 VanDerWaalsContact O-CB 3.26Å; Q26-M30 WeakPolarHBondContact O-CB 3.35Å; Q26-M30 PolarHBondContact O-N 2.85Å; K27-M30 PolarHBondContact O-N 3.41Å; M30-F33 PolarHBondContact O-N 2.86Å; M30-N34 WeakPolarHBondContact CG-ND2 3.23Å; M30-N34 VanDerWaalsContact O-CB 3.32Å; M30-N34 WeakPolarHBondContact O-CB 3.45Å; M30-N34 PolarHBondContact O-N 2.86Å; M30-N34 PolarHBondContact O-ND2 3.07Å |
| 31 | F | 94.1 | Very high | 93.8 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 172.9 | 179.6 | -95.1 | 0 | 0 | 0 | 111.6 | K27 I28 F33 N34 N35 | K27-F31 VanDerWaalsContact O-CB 3.31Å; K27-F31 WeakPolarHBondContact O-CB 3.46Å; K27-F31 PolarHBondContact O-N 3.37Å; I28-F31 PolarHBondContact O-N 3.29Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 2.73Å; F31-N34 PolarHBondContact O-N 2.95Å; F31-N35 WeakPolarHBondContact CD2-ND2 3.48Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.38Å; F31-N35 WeakPolarHBondContact CE2-ND2 3.44Å; F31-N35 VanDerWaalsContact CZ-ND2 3.25Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.27Å; F31-N35 WeakPolarHBondContact O-CB 3.43Å; F31-N35 PolarHBondContact O-N 3.22Å; F31-N35 PolarHBondContact O-ND2 3.39Å |
| 32 | G | 93.2 | Very high | 94 | Very high | 43 Ų | 43 | 68.6 Ų | 68.6 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I28 K29 A36 | I28-G32 PolarHBondContact O-N 3.05Å; K29-G32 PolarHBondContact O-N 3.13Å; G32-A36 PolarHBondContact O-N 3.4Å |
| 33 | F | 93.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -48.4 | 177.9 | -176.1 | -94.6 | 0 | 0 | 0 | 112.2 | K29 M30 F31 N35 A36 Y38 N39 T93 T94 I95 D98 | K29-F33 WeakPolarHBondContact O-CB 3.33Å; K29-F33 PolarHBondContact O-N 3.01Å; M30-F33 PolarHBondContact O-N 2.86Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 2.73Å; F33-N35 VanDerWaalsContact C-N 3.26Å; F33-N35 PolarHBondContact O-N 2.84Å; F33-A36 VanDerWaalsContact O-CB 3.31Å; F33-A36 WeakPolarHBondContact O-CB 3.32Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-A36 VanDerWaalsContact O-N 3.08Å; F33-Y38 VanDerWaalsContact CD2-OH 3.27Å; F33-Y38 WeakPolarHBondContact CD2-OH 3.42Å; F33-Y38 HydrophobicContact CE2-CE2 4.05Å; F33-Y38 WeakPolarHBondContact CE2-OH 3.32Å; F33-N39 HydrophobicContact CE1-CB 4.07Å; F33-N39 HydrophobicContact CE2-CB 4.38Å; F33-N39 HydrophobicContact CZ-CB 3.84Å; F33-N39 PolarHBondContact O-ND2 3.02Å; F33-N39 PolarHBondContact O-OD1 2.87Å; F33-T93 WeakPolarHBondContact CE1-O 3.39Å; F33-T93 HydrophobicContact CZ-CG2 4.35Å; F33-T93 WeakPolarHBondContact CZ-O 3.28Å; F33-T94 VanDerWaalsContact CZ-C 3.44Å; F33-T94 WeakPolarHBondContact CZ-O 3.24Å; F33-I95 HydrophobicContact CB-CD1 4.42Å; F33-I95 HydrophobicContact CD1-CB 3.94Å; F33-I95 HydrophobicContact CD2-CB 4.47Å; F33-I95 HydrophobicContact CD2-CG1 4.43Å; F33-I95 HydrophobicContact CE1-CB 4.07Å; F33-I95 VanDerWaalsContact CE1-N 3.34Å; F33-I95 HydrophobicContact CG-CB 4.14Å; F33-I95 HydrophobicContact CG-CG1 4.32Å; F33-I95 HydrophobicContact CZ-CB 4.42Å; F33-D98 HydrophobicContact CE2-CB 3.59Å; F33-D98 HydrophobicContact CZ-CB 4.04Å |
| 34 | N | 91.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 63 Ų | 63 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -28.9 | -178.5 | -72 | -20.4 | 0 | 0 | 0 | 113.2 | M30 F31 | M30-N34 WeakPolarHBondContact CG-ND2 3.23Å; M30-N34 VanDerWaalsContact O-CB 3.32Å; M30-N34 WeakPolarHBondContact O-CB 3.45Å; M30-N34 PolarHBondContact O-N 2.86Å; M30-N34 PolarHBondContact O-ND2 3.07Å; F31-N34 PolarHBondContact O-N 2.95Å |
| 35 | N | 92.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.8 | 175.9 | -73.5 | -66.8 | 0 | 0 | 0 | 113.7 | F31 F33 | F31-N35 WeakPolarHBondContact CD2-ND2 3.48Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.38Å; F31-N35 WeakPolarHBondContact CE2-ND2 3.44Å; F31-N35 VanDerWaalsContact CZ-ND2 3.25Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.27Å; F31-N35 WeakPolarHBondContact O-CB 3.43Å; F31-N35 PolarHBondContact O-N 3.22Å; F31-N35 PolarHBondContact O-ND2 3.39Å; F33-N35 VanDerWaalsContact C-N 3.26Å; F33-N35 PolarHBondContact O-N 2.84Å |
| 36 | A | 93.5 | Very high | 94 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -68.3 | 160.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G32 F33 Y38 N39 Q40 | G32-A36 PolarHBondContact O-N 3.4Å; F33-A36 VanDerWaalsContact O-CB 3.31Å; F33-A36 WeakPolarHBondContact O-CB 3.32Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-A36 VanDerWaalsContact O-N 3.08Å; A36-Y38 HydrophobicContact CB-CD1 3.57Å; A36-Y38 HydrophobicContact CB-CE1 3.32Å; A36-N39 PolarHBondContact O-OD1 2.98Å; A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-NE2 3.18Å | ||
| 37 | Y | 93.2 | Very high | 94.1 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -92.3 | -31.4 | 175.2 | 178.3 | -110.8 | 0 | 0 | 0 | 112 | N39 Q40 V41 V86 | Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.92Å; Y37-Q40 WeakPolarHBondContact O-CB 3.46Å; Y37-Q40 PolarHBondContact O-N 3.17Å; Y37-V41 HydrophobicContact CE1-CG1 3.89Å; Y37-V41 HydrophobicContact CE1-CG2 4.49Å; Y37-V41 HydrophobicContact CE2-CG1 4.14Å; Y37-V41 PolarHBondContact O-N 3.31Å; Y37-V86 HydrophobicContact CE2-CG1 3.83Å |
| 38 | Y | 95.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.6 | -172.7 | 71 | -95 | 0 | 0 | 0 | 112.5 | F33 A36 Q40 V41 G42 L43 K45 W48 D98 | F33-Y38 VanDerWaalsContact CD2-OH 3.27Å; F33-Y38 WeakPolarHBondContact CD2-OH 3.42Å; F33-Y38 HydrophobicContact CE2-CE2 4.05Å; F33-Y38 WeakPolarHBondContact CE2-OH 3.32Å; A36-Y38 HydrophobicContact CB-CD1 3.57Å; A36-Y38 HydrophobicContact CB-CE1 3.32Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3.48Å; Y38-V41 VanDerWaalsContact O-CG2 3.23Å; Y38-V41 WeakPolarHBondContact O-CG2 3.27Å; Y38-V41 PolarHBondContact O-N 2.77Å; Y38-G42 PolarHBondContact O-N 2.88Å; Y38-L43 WeakPolarHBondContact O-CB 3.23Å; Y38-L43 PolarHBondContact O-N 3.31Å; Y38-K45 HydrophobicContact CE2-CB 4.47Å; Y38-W48 AromaticContact CD1-CE2 3.92Å; Y38-W48 HydrophobicContact CD1-CZ2 4.23Å; Y38-W48 AromaticContact CD1-NE1 3.33Å; Y38-W48 VanDerWaalsContact CD1-NE1 3.33Å; Y38-W48 AromaticContact CD2-NE1 3.75Å; Y38-W48 HydrophobicContact CE1-CZ2 4.33Å; Y38-W48 AromaticContact CE1-NE1 3.81Å; Y38-W48 AromaticContact CG-CD1 3.67Å; Y38-W48 AromaticContact CG-NE1 3.32Å; Y38-W48 VanDerWaalsContact CG-NE1 3.32Å; Y38-D98 PolarHBondContact OH-OD2 3.3Å |
| 39 | N | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -33.6 | 173 | 62 | -44.9 | 0 | 0 | 0 | 111.9 | F33 A36 Y37 V41 G42 W92 T93 | F33-N39 HydrophobicContact CE1-CB 4.07Å; F33-N39 HydrophobicContact CE2-CB 4.38Å; F33-N39 HydrophobicContact CZ-CB 3.84Å; F33-N39 PolarHBondContact O-ND2 3.02Å; F33-N39 PolarHBondContact O-OD1 2.87Å; A36-N39 PolarHBondContact O-OD1 2.98Å; Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.92Å; N39-V41 VanDerWaalsContact C-N 3.28Å; N39-V41 PolarHBondContact O-N 2.99Å; N39-G42 PolarHBondContact O-N 3.5Å; N39-W92 WeakPolarHBondContact O-CA 3.45Å; N39-T93 PolarHBondContact O-N 2.92Å; N39-T93 VanDerWaalsContact O-N 3.12Å |
| 40 | Q | 95.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25 | 179.3 | -50.6 | -179.7 | 17.3 | 0 | 0 | 113.3 | A36 Y37 Y38 V86 L87 W92 | A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-NE2 3.18Å; Y37-Q40 WeakPolarHBondContact O-CB 3.46Å; Y37-Q40 PolarHBondContact O-N 3.17Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3.48Å; Q40-V86 HydrophobicContact CB-CB 4.4Å; Q40-V86 HydrophobicContact CB-CG1 4.35Å; Q40-L87 VanDerWaalsContact O-CB 3.29Å; Q40-L87 WeakPolarHBondContact O-CB 3.25Å; Q40-L87 PolarHBondContact O-N 3.3Å; Q40-W92 HydrophobicContact CB-CD2 4.24Å; Q40-W92 HydrophobicContact CB-CZ2 4.01Å; Q40-W92 HydrophobicContact CG-CD2 4.04Å; Q40-W92 HydrophobicContact CG-CE3 4.06Å; Q40-W92 HydrophobicContact CG-CH2 3.73Å; Q40-W92 HydrophobicContact CG-CZ2 3.71Å; Q40-W92 HydrophobicContact CG-CZ3 3.9Å |
| 41 | V | 96.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.4 | 173 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | Y37 Y38 N39 L43 R76 A77 L80 | Y37-V41 HydrophobicContact CE1-CG1 3.89Å; Y37-V41 HydrophobicContact CE1-CG2 4.49Å; Y37-V41 HydrophobicContact CE2-CG1 4.14Å; Y37-V41 PolarHBondContact O-N 3.31Å; Y38-V41 VanDerWaalsContact O-CG2 3.23Å; Y38-V41 WeakPolarHBondContact O-CG2 3.27Å; Y38-V41 PolarHBondContact O-N 2.77Å; N39-V41 VanDerWaalsContact C-N 3.28Å; N39-V41 PolarHBondContact O-N 2.99Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 HydrophobicContact CG2-CB 4.37Å; V41-L43 HydrophobicContact CG2-CD1 3.83Å; V41-L43 HydrophobicContact CG2-CG 3.81Å; V41-R76 PolarHBondContact O-NE 2.87Å; V41-A77 HydrophobicContact CB-CB 4.1Å; V41-A77 HydrophobicContact CG2-CB 4.03Å; V41-L80 HydrophobicContact CB-CD1 4.03Å; V41-L80 HydrophobicContact CG1-CB 4.31Å; V41-L80 HydrophobicContact CG1-CD1 4.12Å |
| 42 | G | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y38 N39 R73 R76 T93 | Y38-G42 PolarHBondContact O-N 2.88Å; N39-G42 PolarHBondContact O-N 3.5Å; G42-R73 WeakPolarHBondContact O-CD 3.25Å; G42-R76 VanDerWaalsContact CA-NH2 3.35Å; G42-R76 PolarHBondContact O-NH2 3.32Å; G42-T93 WeakPolarHBondContact CA-OG1 3.36Å |
| 43 | L | 96.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | trans | -80.8 | 157.4 | 168 | -67.9 | 175 | 0 | 0 | 0 | 109.7 | Y38 V41 D47 W48 R73 I74 A77 T93 | Y38-L43 WeakPolarHBondContact O-CB 3.23Å; Y38-L43 PolarHBondContact O-N 3.31Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 HydrophobicContact CG2-CB 4.37Å; V41-L43 HydrophobicContact CG2-CD1 3.83Å; V41-L43 HydrophobicContact CG2-CG 3.81Å; L43-D47 HydrophobicContact CB-CB 4.27Å; L43-D47 HydrophobicContact CD2-CB 3.82Å; L43-W48 HydrophobicContact CD1-CB 4.45Å; L43-R73 HydrophobicContact CD2-CB 4.09Å; L43-R73 WeakPolarHBondContact CD2-O 3.05Å; L43-I74 HydrophobicContact CD2-CG1 4.25Å; L43-A77 HydrophobicContact CD1-CB 3.82Å; L43-A77 HydrophobicContact CD2-CB 3.72Å; L43-A77 HydrophobicContact CG-CB 3.74Å; L43-T93 PolarHBondContact O-OG1 3.48Å | ||
| 44 | L | 95 | Very high | 92.8 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | trans | -95.1 | 161.2 | 163.2 | -52.3 | -175.1 | 0 | 0 | 0 | 109.2 | H46 D47 T93 D98 Y101 | L44-H46 PolarHBondContact O-N 3.4Å; L44-D47 PolarHBondContact N-OD2 2.73Å; L44-D47 WeakPolarHBondContact O-CB 3.48Å; L44-D47 PolarHBondContact O-N 3.25Å; L44-T93 HydrophobicContact CD2-CG2 3.48Å; L44-T93 VanDerWaalsContact CD2-CG2 3.48Å; L44-D98 WeakPolarHBondContact CA-OD1 3.45Å; L44-Y101 HydrophobicContact CB-CE1 4.18Å; L44-Y101 HydrophobicContact CD1-CD1 3.7Å; L44-Y101 HydrophobicContact CD1-CE1 3.81Å | ||
| 45 | K | 93.3 | Very high | 92.8 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.9 | -40.7 | 178.5 | -175.1 | -179.7 | 179.6 | -174.1 | 0 | 112.2 | Y38 D47 W48 L49 D98 | Y38-K45 HydrophobicContact CE2-CB 4.47Å; K45-D47 PolarHBondContact O-N 2.57Å; K45-W48 PolarHBondContact O-NE1 3.17Å; K45-L49 HydrophobicContact CG-CD1 4.13Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; K45-D98 WeakPolarHBondContact CB-OD1 3.4Å; K45-D98 PolarHBondContact N-OD1 3.47Å |
| 46 | H | 93.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.7 | -4.5 | 179.8 | -65.9 | -76.7 | 0 | 0 | 0 | 115.8 | L44 W55 P100 Y101 L102 E103 | L44-H46 PolarHBondContact O-N 3.4Å; H46-W55 HydrophobicContact CB-CH2 3.64Å; H46-W55 HydrophobicContact CB-CZ3 4.14Å; H46-W55 AromaticContact CE1-CZ2 3.87Å; H46-W55 AromaticContact CG-CH2 3.68Å; H46-W55 AromaticContact ND1-CH2 3.03Å; H46-W55 WeakPolarHBondContact ND1-CH2 3.31Å; H46-W55 AromaticContact ND1-CZ2 3.06Å; H46-W55 WeakPolarHBondContact ND1-CZ2 3.5Å; H46-W55 WeakPolarHBondContact O-CZ3 3.41Å; H46-P100 WeakPolarHBondContact CD2-CA 3.33Å; H46-P100 WeakPolarHBondContact NE2-CA 3.28Å; H46-P100 WeakPolarHBondContact NE2-CB 3.38Å; H46-Y101 HydrophobicContact CB-CD1 4.37Å; H46-Y101 HydrophobicContact CB-CE1 3.74Å; H46-L102 HydrophobicContact CB-CB 4.14Å; H46-E103 IonicContact CE1-OE2 3.86Å |
| 47 | D | 94.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -81.8 | -29.3 | 179.9 | -57.8 | -25.3 | 0 | 0 | 0 | 111.9 | L43 L44 K45 R73 I74 Y101 | L43-D47 HydrophobicContact CB-CB 4.27Å; L43-D47 HydrophobicContact CD2-CB 3.82Å; L44-D47 PolarHBondContact N-OD2 2.73Å; L44-D47 WeakPolarHBondContact O-CB 3.48Å; L44-D47 PolarHBondContact O-N 3.25Å; K45-D47 PolarHBondContact O-N 2.57Å; D47-R73 IonicContact OD1-CZ 3.74Å; D47-R73 IonicContact OD1-NE 3.73Å; D47-R73 IonicContact OD1-NH2 2.86Å; D47-R73 PolarHBondContact OD1-NH2 3.26Å; D47-R73 IonicContact OD2-CZ 3.49Å; D47-R73 IonicContact OD2-NE 2.73Å; D47-R73 PolarHBondContact OD2-NE 2.99Å; D47-R73 IonicContact OD2-NH2 3.37Å; D47-R73 PolarHBondContact OD2-NH2 2.86Å; D47-I74 HydrophobicContact CB-CG1 4.31Å; D47-Y101 WeakPolarHBondContact OD1-CE1 3.36Å; D47-Y101 PolarHBondContact OD1-OH 3.29Å |
| 48 | W | 90.8 | Very high | 92.9 | Very high | 129 Ų | 129 | 46.9 Ų | 46.9 | 49% | 0.489 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -108.6 | -8.4 | -172.1 | 68.6 | -94.8 | 0 | 0 | 0 | 115.2 | Y38 L43 K45 | Y38-W48 AromaticContact CD1-CE2 3.92Å; Y38-W48 HydrophobicContact CD1-CZ2 4.23Å; Y38-W48 AromaticContact CD1-NE1 3.33Å; Y38-W48 VanDerWaalsContact CD1-NE1 3.33Å; Y38-W48 AromaticContact CD2-NE1 3.75Å; Y38-W48 HydrophobicContact CE1-CZ2 4.33Å; Y38-W48 AromaticContact CE1-NE1 3.81Å; Y38-W48 AromaticContact CG-CD1 3.67Å; Y38-W48 AromaticContact CG-NE1 3.32Å; Y38-W48 VanDerWaalsContact CG-NE1 3.32Å; L43-W48 HydrophobicContact CD1-CB 4.45Å; K45-W48 PolarHBondContact O-NE1 3.17Å |
| 49 | L | 88.3 | Confident | 92.8 | Very high | 43 Ų | 43 | 46 Ų | 46 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.5 | 147.1 | 179.8 | -76.8 | 171.2 | 0 | 0 | 0 | 111.8 | K45 W55 | K45-L49 HydrophobicContact CG-CD1 4.13Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; L49-W55 HydrophobicContact CB-CH2 3.37Å; L49-W55 HydrophobicContact CB-CZ2 3.91Å; L49-W55 HydrophobicContact CB-CZ3 3.73Å; L49-W55 HydrophobicContact CD1-CH2 3.44Å; L49-W55 VanDerWaalsContact CD1-CH2 3.44Å; L49-W55 HydrophobicContact CD1-CZ2 3.5Å; L49-W55 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W55 HydrophobicContact CG-CH2 3.97Å; L49-W55 HydrophobicContact CG-CZ2 4.34Å |
| 50 | P | 86 | Confident | 92.7 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 68% | 0.682 | 27% | 0.268 | S | S | * | . | trans | -58.6 | 138.3 | -179.8 | -24.7 | 33.7 | 0 | 0 | 0 | 113.6 | S52 | P50-S52 PolarHBondContact O-N 2.93Š| ||
| 51 | H | 84.5 | Confident | 92.6 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | trans | -74.1 | 89.6 | 179.6 | -60.7 | 93.7 | 0 | 0 | 0 | 112.2 | L56 | H51-L56 HydrophobicContact CB-CD2 3.84Å; H51-L56 HydrophobicContact CB-CG 4.05Å | ||
| 52 | S | 91.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | trans | -71.5 | 160.1 | 163.8 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | P50 V54 W55 L56 | P50-S52 PolarHBondContact O-N 2.93Å; S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 2.68Å; S52-W55 WeakPolarHBondContact O-CA 3.49Å; S52-W55 VanDerWaalsContact O-CB 3.28Å; S52-W55 WeakPolarHBondContact O-CB 3.18Å; S52-W55 PolarHBondContact O-N 3.27Å; S52-W55 WeakPolarHBondContact OG-CB 3.37Å; S52-W55 VanDerWaalsContact OG-CD1 3.26Å; S52-W55 PolarHBondContact OG-N 3.08Å; S52-L56 PolarHBondContact O-N 3.31Å | ||
| 53 | P | 93.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56 | -39.4 | 175.2 | -26.7 | 35.2 | 0 | 0 | 0 | 113.3 | W55 L56 E57 | P53-W55 VanDerWaalsContact C-N 3.28Å; P53-W55 PolarHBondContact O-N 3.34Å; P53-L56 PolarHBondContact O-N 3.17Å; P53-E57 PolarHBondContact O-N 3.31Å; P53-E57 VanDerWaalsContact O-N 3.08Å |
| 54 | V | 93.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 65.5 Ų | 65.5 | 17% | 0.17 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | S52 E57 A58 V106 V109 V110 M113 | S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 2.68Å; V54-E57 PolarHBondContact O-N 3.48Å; V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.45Å; V54-V106 HydrophobicContact CG1-CG1 3.91Å; V54-V109 HydrophobicContact CB-CG1 4.36Å; V54-V109 HydrophobicContact CG1-CB 4.14Å; V54-V109 HydrophobicContact CG1-CG1 3.88Å; V54-V110 HydrophobicContact CG1-CG2 3.7Å; V54-M113 HydrophobicContact CG2-CE 4.42Å; V54-M113 HydrophobicContact CG2-SD 3.68Å |
| 55 | W | 93.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 72 Ų | 72 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 179.6 | -95.3 | 57.1 | 0 | 0 | 0 | 113.6 | H46 L49 S52 P53 E57 A58 L59 L102 | H46-W55 HydrophobicContact CB-CH2 3.64Å; H46-W55 HydrophobicContact CB-CZ3 4.14Å; H46-W55 AromaticContact CE1-CZ2 3.87Å; H46-W55 AromaticContact CG-CH2 3.68Å; H46-W55 AromaticContact ND1-CH2 3.03Å; H46-W55 WeakPolarHBondContact ND1-CH2 3.31Å; H46-W55 AromaticContact ND1-CZ2 3.06Å; H46-W55 WeakPolarHBondContact ND1-CZ2 3.5Å; H46-W55 WeakPolarHBondContact O-CZ3 3.41Å; L49-W55 HydrophobicContact CB-CH2 3.37Å; L49-W55 HydrophobicContact CB-CZ2 3.91Å; L49-W55 HydrophobicContact CB-CZ3 3.73Å; L49-W55 HydrophobicContact CD1-CH2 3.44Å; L49-W55 VanDerWaalsContact CD1-CH2 3.44Å; L49-W55 HydrophobicContact CD1-CZ2 3.5Å; L49-W55 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W55 HydrophobicContact CG-CH2 3.97Å; L49-W55 HydrophobicContact CG-CZ2 4.34Å; S52-W55 WeakPolarHBondContact O-CA 3.49Å; S52-W55 VanDerWaalsContact O-CB 3.28Å; S52-W55 WeakPolarHBondContact O-CB 3.18Å; S52-W55 PolarHBondContact O-N 3.27Å; S52-W55 WeakPolarHBondContact OG-CB 3.37Å; S52-W55 VanDerWaalsContact OG-CD1 3.26Å; S52-W55 PolarHBondContact OG-N 3.08Å; P53-W55 VanDerWaalsContact C-N 3.28Å; P53-W55 PolarHBondContact O-N 3.34Å; W55-E57 VanDerWaalsContact C-N 3.28Å; W55-E57 PolarHBondContact O-N 3.29Å; W55-A58 PolarHBondContact O-N 3.26Å; W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 WeakPolarHBondContact O-CG 3.47Å; W55-L59 PolarHBondContact O-N 3.49Å; W55-L102 HydrophobicContact CD2-CD2 3.7Å; W55-L102 HydrophobicContact CE3-CD2 3.48Å; W55-L102 VanDerWaalsContact CE3-CD2 3.48Å; W55-L102 HydrophobicContact CG-CD2 4.36Å; W55-L102 HydrophobicContact CH2-CD2 4.02Å; W55-L102 HydrophobicContact CZ2-CD2 4.24Å; W55-L102 HydrophobicContact CZ3-CD2 3.66Å |
| 56 | L | 94.2 | Very high | 91.9 | Very high | 95 Ų | 95 | 70.7 Ų | 70.7 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.4 | -70.4 | 173.7 | 0 | 0 | 0 | 110.9 | H51 S52 P53 L59 R60 | H51-L56 HydrophobicContact CB-CD2 3.84Å; H51-L56 HydrophobicContact CB-CG 4.05Å; S52-L56 PolarHBondContact O-N 3.31Å; P53-L56 PolarHBondContact O-N 3.17Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-R60 PolarHBondContact O-N 2.96Å |
| 57 | E | 94 | Very high | 91.9 | Very high | 53 Ų | 53 | 74.2 Ų | 74.2 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.4 | -178.1 | 57.8 | -163.6 | 0 | 0 | 112.1 | P53 V54 W55 R60 R61 V109 | P53-E57 PolarHBondContact O-N 3.31Å; P53-E57 VanDerWaalsContact O-N 3.08Å; V54-E57 PolarHBondContact O-N 3.48Å; W55-E57 VanDerWaalsContact C-N 3.28Å; W55-E57 PolarHBondContact O-N 3.29Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 IonicContact OE1-CZ 3.47Å; E57-R60 IonicContact OE1-NE 3.41Å; E57-R60 PolarHBondContact OE1-NE 3.29Å; E57-R60 IonicContact OE1-NH2 2.71Å; E57-R60 PolarHBondContact OE1-NH2 3.43Å; E57-R60 IonicContact OE2-CZ 3.71Å; E57-R60 IonicContact OE2-NE 2.86Å; E57-R60 PolarHBondContact OE2-NE 3.24Å; E57-R60 IonicContact OE2-NH2 3.69Å; E57-R61 VanDerWaalsContact O-CG 3.32Å; E57-R61 WeakPolarHBondContact O-CG 3.3Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.69Å; E57-R61 IonicContact OE1-NE 3.74Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 3.48Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; E57-V109 HydrophobicContact CB-CG1 4.16Å; E57-V109 HydrophobicContact CB-CG2 4.24Å; E57-V109 HydrophobicContact CG-CG1 3.99Å; E57-V109 HydrophobicContact CG-CG2 3.74Å |
| 58 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | V54 W55 R60 R61 L62 L102 V106 | V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.45Å; W55-A58 PolarHBondContact O-N 3.26Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.44Å; A58-R61 PolarHBondContact O-N 3.37Å; A58-R61 VanDerWaalsContact O-N 3.17Å; A58-L62 PolarHBondContact O-N 2.98Å; A58-L102 HydrophobicContact CB-CD1 3.78Å; A58-L102 HydrophobicContact CB-CD2 4.36Å; A58-L102 HydrophobicContact CB-CG 3.94Å; A58-V106 HydrophobicContact CB-CG2 3.72Å |
| 59 | L | 93.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 74.1 Ų | 74.1 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.5 | -74.7 | 171.3 | 0 | 0 | 0 | 111.9 | W55 L56 R61 L62 L102 | W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 WeakPolarHBondContact O-CG 3.47Å; W55-L59 PolarHBondContact O-N 3.49Å; L56-L59 PolarHBondContact O-N 3.49Å; L59-R61 PolarHBondContact O-N 3.34Å; L59-L62 VanDerWaalsContact O-CB 3.27Å; L59-L62 WeakPolarHBondContact O-CB 2.95Å; L59-L62 PolarHBondContact O-N 2.85Å; L59-L102 HydrophobicContact CD2-CD1 3.93Å; L59-L102 HydrophobicContact CD2-CD2 4.07Å; L59-L102 HydrophobicContact CG-CD1 4.25Å; L59-L102 HydrophobicContact CG-CD2 4.11Å |
| 60 | R | 92.9 | Very high | 92.5 | Very high | 165 Ų | 165 | 73.3 Ų | 73.3 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.8 | -27.7 | 176 | -165.7 | -168.3 | 65.2 | 72 | -1.2 | 112.9 | L56 E57 A58 | L56-R60 PolarHBondContact O-N 2.96Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 IonicContact OE1-CZ 3.47Å; E57-R60 IonicContact OE1-NE 3.41Å; E57-R60 PolarHBondContact OE1-NE 3.29Å; E57-R60 IonicContact OE1-NH2 2.71Å; E57-R60 PolarHBondContact OE1-NH2 3.43Å; E57-R60 IonicContact OE2-CZ 3.71Å; E57-R60 IonicContact OE2-NE 2.86Å; E57-R60 PolarHBondContact OE2-NE 3.24Å; E57-R60 IonicContact OE2-NH2 3.69Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.44Å |
| 61 | R | 92.4 | Very high | 93 | Very high | 72 Ų | 72 | 72 Ų | 72 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -5.8 | -179.1 | -65.6 | 171 | -173.6 | -151 | 3 | 113.6 | E57 A58 L59 Y105 E112 | E57-R61 VanDerWaalsContact O-CG 3.32Å; E57-R61 WeakPolarHBondContact O-CG 3.3Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.69Å; E57-R61 IonicContact OE1-NE 3.74Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 3.48Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; A58-R61 PolarHBondContact O-N 3.37Å; A58-R61 VanDerWaalsContact O-N 3.17Å; L59-R61 PolarHBondContact O-N 3.34Å; R61-Y105 HydrophobicContact CB-CD1 3.91Å; R61-Y105 WeakPolarHBondContact O-CE1 3.33Å; R61-E112 IonicContact CZ-OE1 3.31Å; R61-E112 IonicContact CZ-OE2 3.36Å; R61-E112 VanDerWaalsContact CZ-OE2 3.31Å; R61-E112 IonicContact NH1-OE1 3.04Å; R61-E112 PolarHBondContact NH1-OE1 3.43Å; R61-E112 IonicContact NH1-OE2 2.92Å; R61-E112 PolarHBondContact NH1-OE2 2.94Å; R61-E112 IonicContact NH2-OE1 2.71Å; R61-E112 IonicContact NH2-OE2 2.91Å; R61-E112 PolarHBondContact NH2-OE2 2.93Å |
| 62 | L | 91.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -68.7 | 137.2 | -176 | -165.2 | 68.2 | 0 | 0 | 0 | 110.7 | A58 L59 L66 Q67 Y101 Y105 | A58-L62 PolarHBondContact O-N 2.98Å; L59-L62 VanDerWaalsContact O-CB 3.27Å; L59-L62 WeakPolarHBondContact O-CB 2.95Å; L59-L62 PolarHBondContact O-N 2.85Å; L62-L66 HydrophobicContact CD1-CB 3.9Å; L62-L66 HydrophobicContact CD1-CD1 3.81Å; L62-L66 HydrophobicContact CD2-CB 3.85Å; L62-L66 HydrophobicContact CG-CB 3.71Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; L62-Q67 HydrophobicContact CD2-CB 4.25Å; L62-Y101 HydrophobicContact CD1-CD2 4.18Å; L62-Y101 HydrophobicContact CD2-CD2 4.47Å; L62-Y101 HydrophobicContact CD2-CE2 4.08Å; L62-Y105 HydrophobicContact CD1-CD2 4.02Å; L62-Y105 HydrophobicContact CD1-CE2 3.6Å |
| 63 | P | 92.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | trans | -56.1 | 144.3 | 171.3 | -25.4 | 33.1 | 0 | 0 | 0 | 111.3 | E65 L66 Q67 Y105 | P63-E65 VanDerWaalsContact C-N 3.27Å; P63-E65 PolarHBondContact O-N 3.46Å; P63-L66 HydrophobicContact CG-CD1 4.4Å; P63-L66 PolarHBondContact O-N 3.33Å; P63-Q67 PolarHBondContact O-N 2.91Å; P63-Y105 WeakPolarHBondContact CD-OH 3.45Å; P63-Y105 WeakPolarHBondContact CG-OH 3.47Å | ||
| 64 | R | 93 | Very high | 94 | Very high | 181 Ų | 181 | 70.1 Ų | 70.1 | 68% | 0.683 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -50.9 | -44.6 | -177.6 | -178.4 | 177.3 | 169.8 | -173.1 | -6.6 | 113.1 | L66 Q67 E68 | R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.76Å; R64-Q67 WeakPolarHBondContact O-CB 3.49Å; R64-Q67 PolarHBondContact O-N 3.07Å; R64-E68 HydrophobicContact CG-CG 4.26Å; R64-E68 IonicContact CZ-OE1 3.25Å; R64-E68 VanDerWaalsContact CZ-OE1 3.25Å; R64-E68 IonicContact NE-OE1 2.71Å; R64-E68 PolarHBondContact NE-OE1 3.16Å; R64-E68 IonicContact NH2-OE1 2.9Å; R64-E68 PolarHBondContact NH2-OE1 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.06Å; R64-E68 PolarHBondContact O-N 3.08Å |
| 65 | E | 92.2 | Very high | 94.2 | Very high | 159 Ų | 159 | 71.6 Ų | 71.6 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.2 | -42.1 | -180 | -63.6 | 174.3 | -173.3 | 0 | 0 | 112.8 | P63 A69 | P63-E65 VanDerWaalsContact C-N 3.27Å; P63-E65 PolarHBondContact O-N 3.46Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.38Å |
| 66 | L | 92 | Very high | 94.4 | Very high | 75 Ų | 75 | 73.5 Ų | 73.5 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.9 | -33.6 | 178.2 | -68.9 | -178.5 | 0 | 0 | 0 | 111.7 | L62 P63 R64 R70 | L62-L66 HydrophobicContact CD1-CB 3.9Å; L62-L66 HydrophobicContact CD1-CD1 3.81Å; L62-L66 HydrophobicContact CD2-CB 3.85Å; L62-L66 HydrophobicContact CG-CB 3.71Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; P63-L66 HydrophobicContact CG-CD1 4.4Å; P63-L66 PolarHBondContact O-N 3.33Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.76Å; L66-R70 WeakPolarHBondContact O-CB 3.09Å; L66-R70 PolarHBondContact O-N 3.04Å |
| 67 | Q | 93.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 69.5 Ų | 69.5 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 174.2 | -173.3 | 171.5 | 54.2 | 0 | 0 | 111.1 | L62 P63 R64 A69 R70 D71 | L62-Q67 HydrophobicContact CD2-CB 4.25Å; P63-Q67 PolarHBondContact O-N 2.91Å; R64-Q67 WeakPolarHBondContact O-CB 3.49Å; R64-Q67 PolarHBondContact O-N 3.07Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.96Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.43Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; Q67-D71 VanDerWaalsContact O-CG 3.23Å; Q67-D71 PolarHBondContact O-N 3.45Å |
| 68 | E | 96.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.3 | -71.4 | 175.6 | 170.4 | 0 | 0 | 111.5 | R64 R70 D71 F72 | R64-E68 HydrophobicContact CG-CG 4.26Å; R64-E68 IonicContact CZ-OE1 3.25Å; R64-E68 VanDerWaalsContact CZ-OE1 3.25Å; R64-E68 IonicContact NE-OE1 2.71Å; R64-E68 PolarHBondContact NE-OE1 3.16Å; R64-E68 IonicContact NH2-OE1 2.9Å; R64-E68 PolarHBondContact NH2-OE1 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.06Å; R64-E68 PolarHBondContact O-N 3.08Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.88Å; E68-D71 PolarHBondContact O-N 3.33Å; E68-F72 WeakPolarHBondContact O-CB 3.26Å; E68-F72 PolarHBondContact O-N 2.87Å |
| 69 | A | 95.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E65 Q67 R73 | E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.38Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.96Å; A69-R73 WeakPolarHBondContact O-CG 3.21Å; A69-R73 PolarHBondContact O-N 3.45Å; A69-R73 PolarHBondContact O-NH1 2.92Å |
| 70 | R | 95.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 76.3 Ų | 76.3 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 174.2 | 174.9 | -175.5 | -179.7 | -83 | -5.6 | 111.2 | L66 Q67 E68 F72 R73 I74 Y101 | L66-R70 WeakPolarHBondContact O-CB 3.09Å; L66-R70 PolarHBondContact O-N 3.04Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.43Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.88Å; R70-F72 VanDerWaalsContact C-N 3.28Å; R70-F72 PolarHBondContact O-N 2.71Å; R70-R73 PolarHBondContact O-N 3.38Å; R70-R73 VanDerWaalsContact O-N 3.13Å; R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.35Å; R70-Y101 VanDerWaalsContact CD-OH 3.23Å; R70-Y101 WeakPolarHBondContact CD-OH 3.5Å |
| 71 | D | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 75.6 Ų | 75.6 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | -178.4 | -65.9 | -17.2 | 0 | 0 | 0 | 111.1 | Q67 E68 I74 A75 | Q67-D71 VanDerWaalsContact O-CG 3.23Å; Q67-D71 PolarHBondContact O-N 3.45Å; E68-D71 PolarHBondContact O-N 3.33Å; D71-I74 PolarHBondContact O-N 2.8Å; D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.31Å; D71-A75 PolarHBondContact O-N 3.08Å |
| 72 | F | 97.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 75.7 Ų | 75.7 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 171.4 | 177.6 | -99.3 | 0 | 0 | 0 | 112.7 | E68 R70 I74 A75 R76 | E68-F72 WeakPolarHBondContact O-CB 3.26Å; E68-F72 PolarHBondContact O-N 2.87Å; R70-F72 VanDerWaalsContact C-N 3.28Å; R70-F72 PolarHBondContact O-N 2.71Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.17Å; F72-A75 PolarHBondContact O-N 2.93Å; F72-R76 WeakPolarHBondContact O-CB 3.18Å; F72-R76 PolarHBondContact O-N 3.32Å |
| 73 | R | 97 | Very high | 95.7 | Very high | 36 Ų | 36 | 77.8 Ų | 77.8 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.2 | -69.5 | -173 | -54.8 | -91.9 | 5.2 | 111.6 | G42 L43 D47 A69 R70 R76 A77 | G42-R73 WeakPolarHBondContact O-CD 3.25Å; L43-R73 HydrophobicContact CD2-CB 4.09Å; L43-R73 WeakPolarHBondContact CD2-O 3.05Å; D47-R73 IonicContact OD1-CZ 3.74Å; D47-R73 IonicContact OD1-NE 3.73Å; D47-R73 IonicContact OD1-NH2 2.86Å; D47-R73 PolarHBondContact OD1-NH2 3.26Å; D47-R73 IonicContact OD2-CZ 3.49Å; D47-R73 IonicContact OD2-NE 2.73Å; D47-R73 PolarHBondContact OD2-NE 2.99Å; D47-R73 IonicContact OD2-NH2 3.37Å; D47-R73 PolarHBondContact OD2-NH2 2.86Å; A69-R73 WeakPolarHBondContact O-CG 3.21Å; A69-R73 PolarHBondContact O-N 3.45Å; A69-R73 PolarHBondContact O-NH1 2.92Å; R70-R73 PolarHBondContact O-N 3.38Å; R70-R73 VanDerWaalsContact O-N 3.13Å; R73-R76 PolarHBondContact O-N 2.82Å; R73-A77 WeakPolarHBondContact O-CB 3.01Å; R73-A77 PolarHBondContact O-N 3.02Å |
| 74 | I | 96.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 82.5 Ų | 82.5 | 26% | 0.256 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 177.5 | -67.5 | 171.4 | 0 | 0 | 0 | 110.6 | L43 D47 R70 D71 F72 R76 A77 S78 | L43-I74 HydrophobicContact CD2-CG1 4.25Å; D47-I74 HydrophobicContact CB-CG1 4.31Å; R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.35Å; D71-I74 PolarHBondContact O-N 2.8Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.17Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.27Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-A77 VanDerWaalsContact O-N 3.15Å; I74-S78 PolarHBondContact O-N 3.46Å; I74-S78 PolarHBondContact O-OG 2.86Å; I74-S78 VanDerWaalsContact O-OG 3.1Å |
| 75 | A | 97.4 | Very high | 96 | Very high | 60 Ų | 60 | 79.9 Ų | 79.9 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D71 F72 S78 L79 | D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.31Å; D71-A75 PolarHBondContact O-N 3.08Å; F72-A75 PolarHBondContact O-N 2.93Å; A75-S78 PolarHBondContact O-N 3.39Å; A75-L79 PolarHBondContact O-N 3Å |
| 76 | R | 97.2 | Very high | 96.2 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 25% | 0.253 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.6 | 179.3 | 176.7 | 68 | -174.7 | -7.1 | 111.7 | V41 G42 F72 R73 I74 S78 L79 L80 | V41-R76 PolarHBondContact O-NE 2.87Å; G42-R76 VanDerWaalsContact CA-NH2 3.35Å; G42-R76 PolarHBondContact O-NH2 3.32Å; F72-R76 WeakPolarHBondContact O-CB 3.18Å; F72-R76 PolarHBondContact O-N 3.32Å; R73-R76 PolarHBondContact O-N 2.82Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.27Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.48Å; R76-L79 PolarHBondContact O-N 3.45Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.38Å |
| 77 | A | 97.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V41 L43 R73 I74 L80 Y81 | V41-A77 HydrophobicContact CB-CB 4.1Å; V41-A77 HydrophobicContact CG2-CB 4.03Å; L43-A77 HydrophobicContact CD1-CB 3.82Å; L43-A77 HydrophobicContact CD2-CB 3.72Å; L43-A77 HydrophobicContact CG-CB 3.74Å; R73-A77 WeakPolarHBondContact O-CB 3.01Å; R73-A77 PolarHBondContact O-N 3.02Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-A77 VanDerWaalsContact O-N 3.15Å; A77-L80 PolarHBondContact O-N 3.15Å; A77-Y81 VanDerWaalsContact O-CB 3.28Å; A77-Y81 WeakPolarHBondContact O-CB 3.06Å; A77-Y81 PolarHBondContact O-N 3.48Å |
| 78 | S | 96.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.1 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | I74 A75 R76 Y81 A82 | I74-S78 PolarHBondContact O-N 3.46Å; I74-S78 PolarHBondContact O-OG 2.86Å; I74-S78 VanDerWaalsContact O-OG 3.1Å; A75-S78 PolarHBondContact O-N 3.39Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.48Å; S78-Y81 PolarHBondContact O-N 2.8Å; S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 2.67Å |
| 79 | L | 97.4 | Very high | 96.4 | Very high | 123 Ų | 123 | 75 Ų | 75 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.4 | 179.4 | 63.8 | 0 | 0 | 0 | 112.1 | A75 R76 A82 S83 | A75-L79 PolarHBondContact O-N 3Å; R76-L79 PolarHBondContact O-N 3.45Å; L79-A82 PolarHBondContact O-N 3.46Å; L79-S83 WeakPolarHBondContact O-CB 3.25Å; L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.44Å |
| 80 | L | 97.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.1 | -71.4 | 171.5 | 0 | 0 | 0 | 111.6 | V41 R76 A77 A82 S83 K84 H85 L87 | V41-L80 HydrophobicContact CB-CD1 4.03Å; V41-L80 HydrophobicContact CG1-CB 4.31Å; V41-L80 HydrophobicContact CG1-CD1 4.12Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.38Å; A77-L80 PolarHBondContact O-N 3.15Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.4Å; L80-S83 WeakPolarHBondContact CA-OG 3.46Å; L80-S83 CarbonylContact O-C 3.57Å; L80-S83 PolarHBondContact O-N 3.22Å; L80-S83 PolarHBondContact O-OG 3.17Å; L80-S83 VanDerWaalsContact O-OG 3.13Å; L80-K84 PolarHBondContact O-N 3.28Å; L80-H85 WeakPolarHBondContact CB-O 3.49Å; L80-H85 HydrophobicContact CD2-CB 4.28Å; L80-H85 PolarHBondContact O-N 3.48Å; L80-L87 HydrophobicContact CD1-CD1 4.38Å; L80-L87 HydrophobicContact CD1-CD2 3.68Å; L80-L87 HydrophobicContact CD1-CG 3.63Å; L80-L87 HydrophobicContact CD2-CD2 4.3Å |
| 81 | Y | 96 | Very high | 96.3 | Very high | 149 Ų | 149 | 84.9 Ų | 84.9 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 175.7 | 177.9 | -97.8 | 0 | 0 | 0 | 112.6 | A77 S78 K84 | A77-Y81 VanDerWaalsContact O-CB 3.28Å; A77-Y81 WeakPolarHBondContact O-CB 3.06Å; A77-Y81 PolarHBondContact O-N 3.48Å; S78-Y81 PolarHBondContact O-N 2.8Å; Y81-K84 WeakPolarHBondContact O-CD 3.03Å; Y81-K84 WeakPolarHBondContact O-CE 3.46Å; Y81-K84 PolarHBondContact O-N 2.88Å; Y81-K84 PolarHBondContact O-NZ 3.29Å |
| 82 | A | 97.5 | Very high | 96.3 | Very high | 75 Ų | 75 | 84.2 Ų | 84.2 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S78 L79 L80 K84 | S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 2.67Å; L79-A82 PolarHBondContact O-N 3.46Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.4Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 2.69Å |
| 83 | S | 96.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.3 | -7.6 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | L79 L80 H85 | L79-S83 WeakPolarHBondContact O-CB 3.25Å; L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.44Å; L80-S83 WeakPolarHBondContact CA-OG 3.46Å; L80-S83 CarbonylContact O-C 3.57Å; L80-S83 PolarHBondContact O-N 3.22Å; L80-S83 PolarHBondContact O-OG 3.17Å; L80-S83 VanDerWaalsContact O-OG 3.13Å; S83-H85 PolarHBondContact O-CE1 2.59Å; S83-H85 PolarHBondContact O-N 2.78Å; S83-H85 PolarHBondContact O-ND1 2.79Å |
| 84 | K | 95.5 | Very high | 96 | Very high | 144 Ų | 144 | 79.7 Ų | 79.7 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 33.7 | -174.1 | -51.7 | -61.5 | 171.9 | -153.8 | 0 | 113.4 | L80 Y81 A82 | L80-K84 PolarHBondContact O-N 3.28Å; Y81-K84 WeakPolarHBondContact O-CD 3.03Å; Y81-K84 WeakPolarHBondContact O-CE 3.46Å; Y81-K84 PolarHBondContact O-N 2.88Å; Y81-K84 PolarHBondContact O-NZ 3.29Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 2.69Å |
| 85 | H | 95.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 78.2 Ų | 78.2 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | trans | -111.8 | 163 | 175.9 | -73.1 | 74.8 | 0 | 0 | 0 | 111 | L80 S83 | L80-H85 WeakPolarHBondContact CB-O 3.49Å; L80-H85 HydrophobicContact CD2-CB 4.28Å; L80-H85 PolarHBondContact O-N 3.48Å; S83-H85 PolarHBondContact O-CE1 2.59Å; S83-H85 PolarHBondContact O-N 2.78Å; S83-H85 PolarHBondContact O-ND1 2.79Å | ||
| 86 | V | 95.8 | Very high | 95.4 | Very high | 68 Ų | 68 | 80 Ų | 80 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | trans | -120.7 | 161.9 | 169.9 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | Y37 Q40 | Y37-V86 HydrophobicContact CE2-CG1 3.83Å; Q40-V86 HydrophobicContact CB-CB 4.4Å; Q40-V86 HydrophobicContact CB-CG1 4.35Å | ||
| 87 | L | 96.1 | Very high | 95 | Very high | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | trans | -67.1 | 154.4 | 174.5 | -64.3 | 173.8 | 0 | 0 | 0 | 110.5 | Q40 L80 Q91 W92 | Q40-L87 VanDerWaalsContact O-CB 3.29Å; Q40-L87 WeakPolarHBondContact O-CB 3.25Å; Q40-L87 PolarHBondContact O-N 3.3Å; L80-L87 HydrophobicContact CD1-CD1 4.38Å; L80-L87 HydrophobicContact CD1-CD2 3.68Å; L80-L87 HydrophobicContact CD1-CG 3.63Å; L80-L87 HydrophobicContact CD2-CD2 4.3Å; L87-Q91 HydrophobicContact CB-CB 4.09Å; L87-Q91 HydrophobicContact CD1-CB 4.29Å; L87-W92 PolarHBondContact O-NE1 2.94Å | ||
| 88 | P | 96.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 80.6 Ų | 80.6 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -53.3 | 147.7 | 162.6 | -22.8 | 33.7 | 0 | 0 | 0 | 110.8 | E90 Q91 W92 | P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 2.82Å; P88-E90 VanDerWaalsContact O-N 3.12Å; P88-Q91 PolarHBondContact O-N 2.9Å; P88-W92 PolarHBondContact O-NE1 3.31Å | ||
| 89 | K | 93.7 | Very high | 94.6 | Very high | 154 Ų | 154 | 78.6 Ų | 78.6 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -59.7 | -29.4 | -172.9 | -170.9 | 174.2 | 179.8 | 179.5 | 0 | 112.8 | Q91 W92 | K89-Q91 PolarHBondContact O-N 3.34Å; K89-W92 HydrophobicContact CG-CD2 4.25Å; K89-W92 HydrophobicContact CG-CE3 4.26Å; K89-W92 WeakPolarHBondContact O-CB 3.32Å; K89-W92 PolarHBondContact O-N 3.35Å |
| 90 | E | 94.7 | Very high | 94.3 | Very high | 165 Ų | 165 | 73.7 Ų | 73.7 | 77% | 0.771 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -67.5 | -20.9 | 177.6 | -57.4 | 70.2 | -150.1 | 0 | 0 | 112.5 | P88 | P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 2.82Å; P88-E90 VanDerWaalsContact O-N 3.12Å |
| 91 | Q | 94.7 | Very high | 94 | Very high | 110 Ų | 110 | 73.7 Ų | 73.7 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -102.7 | 4.5 | 179.8 | -61.3 | -177.2 | 8.8 | 0 | 0 | 112.9 | L87 P88 K89 | L87-Q91 HydrophobicContact CB-CB 4.09Å; L87-Q91 HydrophobicContact CD1-CB 4.29Å; P88-Q91 PolarHBondContact O-N 2.9Å; K89-Q91 PolarHBondContact O-N 3.34Å |
| 92 | W | 95.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 66.6 Ų | 66.6 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -69.3 | 142.2 | 176.1 | -68.5 | 9.9 | 0 | 0 | 0 | 109.9 | N39 Q40 L87 P88 K89 T94 | N39-W92 WeakPolarHBondContact O-CA 3.45Å; Q40-W92 HydrophobicContact CB-CD2 4.24Å; Q40-W92 HydrophobicContact CB-CZ2 4.01Å; Q40-W92 HydrophobicContact CG-CD2 4.04Å; Q40-W92 HydrophobicContact CG-CE3 4.06Å; Q40-W92 HydrophobicContact CG-CH2 3.73Å; Q40-W92 HydrophobicContact CG-CZ2 3.71Å; Q40-W92 HydrophobicContact CG-CZ3 3.9Å; L87-W92 PolarHBondContact O-NE1 2.94Å; P88-W92 PolarHBondContact O-NE1 3.31Å; K89-W92 HydrophobicContact CG-CD2 4.25Å; K89-W92 HydrophobicContact CG-CE3 4.26Å; K89-W92 WeakPolarHBondContact O-CB 3.32Å; K89-W92 PolarHBondContact O-N 3.35Å; W92-T94 PolarHBondContact O-N 2.89Å |
| 93 | T | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 130.3 | 172.8 | -50.9 | 0 | 0 | 0 | 0 | 108.7 | F33 N39 G42 L43 L44 D97 D98 | F33-T93 WeakPolarHBondContact CE1-O 3.39Å; F33-T93 HydrophobicContact CZ-CG2 4.35Å; F33-T93 WeakPolarHBondContact CZ-O 3.28Å; N39-T93 PolarHBondContact O-N 2.92Å; N39-T93 VanDerWaalsContact O-N 3.12Å; G42-T93 WeakPolarHBondContact CA-OG1 3.36Å; L43-T93 PolarHBondContact O-OG1 3.48Å; L44-T93 HydrophobicContact CD2-CG2 3.48Å; L44-T93 VanDerWaalsContact CD2-CG2 3.48Å; T93-D97 HydrophobicContact CG2-CB 4.29Å; T93-D98 HydrophobicContact CG2-CB 4.19Å |
| 94 | T | 93 | Very high | 93.1 | Very high | 57 Ų | 57 | 65 Ų | 65 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 160.5 | 173.2 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | F33 W92 E96 D97 D98 | F33-T94 VanDerWaalsContact CZ-C 3.44Å; F33-T94 WeakPolarHBondContact CZ-O 3.24Å; W92-T94 PolarHBondContact O-N 2.89Å; T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.47Å; T94-D97 PolarHBondContact O-N 2.95Å; T94-D97 VanDerWaalsContact O-N 3.17Å; T94-D97 VanDerWaalsContact OG1-CB 3.32Å; T94-D97 WeakPolarHBondContact OG1-CB 3.33Å; T94-D97 PolarHBondContact OG1-N 2.79Å; T94-D97 PolarHBondContact OG1-OD2 3.03Å; T94-D98 PolarHBondContact O-N 3.15Å |
| 95 | I | 91.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.2 | 179.3 | -172.2 | 171.2 | 0 | 0 | 0 | 111.6 | K29 F33 | K29-I95 HydrophobicContact CD-CD1 4.04Å; K29-I95 HydrophobicContact CG-CD1 3.89Å; F33-I95 HydrophobicContact CB-CD1 4.42Å; F33-I95 HydrophobicContact CD1-CB 3.94Å; F33-I95 HydrophobicContact CD2-CB 4.47Å; F33-I95 HydrophobicContact CD2-CG1 4.43Å; F33-I95 HydrophobicContact CE1-CB 4.07Å; F33-I95 VanDerWaalsContact CE1-N 3.34Å; F33-I95 HydrophobicContact CG-CB 4.14Å; F33-I95 HydrophobicContact CG-CG1 4.32Å; F33-I95 HydrophobicContact CZ-CB 4.42Å |
| 96 | E | 89.1 | Confident | 92.8 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.2 | 176.2 | -62.4 | 74.6 | -160.9 | 0 | 0 | 112.7 | T94 | T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.47Å |
| 97 | D | 90.6 | Very high | 92.6 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -16.5 | 178.3 | -64.8 | -35.4 | 0 | 0 | 0 | 113.1 | T93 T94 I99 | T93-D97 HydrophobicContact CG2-CB 4.29Å; T94-D97 PolarHBondContact O-N 2.95Å; T94-D97 VanDerWaalsContact O-N 3.17Å; T94-D97 VanDerWaalsContact OG1-CB 3.32Å; T94-D97 WeakPolarHBondContact OG1-CB 3.33Å; T94-D97 PolarHBondContact OG1-N 2.79Å; T94-D97 PolarHBondContact OG1-OD2 3.03Å; D97-I99 PolarHBondContact O-N 2.9Å |
| 98 | D | 93.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | trans | -72.4 | 62.8 | 171.7 | -169.1 | 38 | 0 | 0 | 0 | 112 | Y14 F33 Y38 L44 K45 T93 T94 | Y14-D98 VanDerWaalsContact CE1-O 3.25Å; Y14-D98 WeakPolarHBondContact CE1-O 3.42Å; Y14-D98 PolarHBondContact OH-O 3.28Å; F33-D98 HydrophobicContact CE2-CB 3.59Å; F33-D98 HydrophobicContact CZ-CB 4.04Å; Y38-D98 PolarHBondContact OH-OD2 3.3Å; L44-D98 WeakPolarHBondContact CA-OD1 3.45Å; K45-D98 WeakPolarHBondContact CB-OD1 3.4Å; K45-D98 PolarHBondContact N-OD1 3.47Å; T93-D98 HydrophobicContact CG2-CB 4.19Å; T94-D98 PolarHBondContact O-N 3.15Å | ||
| 99 | I | 90.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | trans | -79 | 130.7 | -176.9 | -64.3 | 166.5 | 0 | 0 | 0 | 109 | F10 I11 D97 Y101 | F10-I99 HydrophobicContact CE1-CG2 4.46Å; I11-I99 HydrophobicContact CD1-CD1 4.32Å; I11-I99 HydrophobicContact CG1-CD1 4.12Å; I11-I99 HydrophobicContact CG1-CG2 3.87Å; I11-I99 HydrophobicContact CG2-CD1 3.84Å; D97-I99 PolarHBondContact O-N 2.9Å; I99-Y101 PolarHBondContact O-N 3.27Å | ||
| 100 | P | 91.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | trans | -73.5 | 61.8 | 176.9 | 22.4 | -25.8 | 0 | 0 | 0 | 113.7 | F10 Y14 H46 L102 E103 | F10-P100 HydrophobicContact CE1-CB 4.22Å; F10-P100 HydrophobicContact CE1-CG 3.74Å; F10-P100 WeakPolarHBondContact CE1-O 3.3Å; F10-P100 HydrophobicContact CZ-CB 4.09Å; F10-P100 HydrophobicContact CZ-CG 3.67Å; F10-P100 WeakPolarHBondContact CZ-O 3.49Å; Y14-P100 VanDerWaalsContact CD1-CD 3.44Å; Y14-P100 HydrophobicContact CD1-CG 4.27Å; Y14-P100 HydrophobicContact CD2-CG 3.37Å; Y14-P100 VanDerWaalsContact CE1-CD 3.43Å; Y14-P100 HydrophobicContact CE1-CG 4.34Å; Y14-P100 HydrophobicContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CG-CD 3.46Å; Y14-P100 HydrophobicContact CG-CG 3.8Å; Y14-P100 VanDerWaalsContact CZ-CD 3.46Å; H46-P100 WeakPolarHBondContact CD2-CA 3.33Å; H46-P100 WeakPolarHBondContact NE2-CA 3.28Å; H46-P100 WeakPolarHBondContact NE2-CB 3.38Å; P100-L102 PolarHBondContact O-N 3.35Å; P100-L102 VanDerWaalsContact O-N 3.08Å; P100-E103 HydrophobicContact CB-CB 4.18Å; P100-E103 WeakPolarHBondContact O-CB 3.46Å; P100-E103 PolarHBondContact O-N 2.84Å | ||
| 101 | Y | 90.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 9% | 0.09 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23 | -167.7 | 68 | -94.4 | 0 | 0 | 0 | 115 | L44 H46 D47 L62 R70 I99 P104 | L44-Y101 HydrophobicContact CB-CE1 4.18Å; L44-Y101 HydrophobicContact CD1-CD1 3.7Å; L44-Y101 HydrophobicContact CD1-CE1 3.81Å; H46-Y101 HydrophobicContact CB-CD1 4.37Å; H46-Y101 HydrophobicContact CB-CE1 3.74Å; D47-Y101 WeakPolarHBondContact OD1-CE1 3.36Å; D47-Y101 PolarHBondContact OD1-OH 3.29Å; L62-Y101 HydrophobicContact CD1-CD2 4.18Å; L62-Y101 HydrophobicContact CD2-CD2 4.47Å; L62-Y101 HydrophobicContact CD2-CE2 4.08Å; R70-Y101 VanDerWaalsContact CD-OH 3.23Å; R70-Y101 WeakPolarHBondContact CD-OH 3.5Å; I99-Y101 PolarHBondContact O-N 3.27Å; Y101-P104 WeakPolarHBondContact O-CD 3.3Å |
| 102 | L | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.1 | -179.1 | -164 | 63.2 | 0 | 0 | 0 | 112.3 | H46 W55 A58 L59 P100 P104 Y105 V106 | H46-L102 HydrophobicContact CB-CB 4.14Å; W55-L102 HydrophobicContact CD2-CD2 3.7Å; W55-L102 HydrophobicContact CE3-CD2 3.48Å; W55-L102 VanDerWaalsContact CE3-CD2 3.48Å; W55-L102 HydrophobicContact CG-CD2 4.36Å; W55-L102 HydrophobicContact CH2-CD2 4.02Å; W55-L102 HydrophobicContact CZ2-CD2 4.24Å; W55-L102 HydrophobicContact CZ3-CD2 3.66Å; A58-L102 HydrophobicContact CB-CD1 3.78Å; A58-L102 HydrophobicContact CB-CD2 4.36Å; A58-L102 HydrophobicContact CB-CG 3.94Å; L59-L102 HydrophobicContact CD2-CD1 3.93Å; L59-L102 HydrophobicContact CD2-CD2 4.07Å; L59-L102 HydrophobicContact CG-CD1 4.25Å; L59-L102 HydrophobicContact CG-CD2 4.11Å; P100-L102 PolarHBondContact O-N 3.35Å; P100-L102 VanDerWaalsContact O-N 3.08Å; L102-P104 VanDerWaalsContact C-CD 3.46Å; L102-Y105 WeakPolarHBondContact O-CB 3.32Å; L102-Y105 PolarHBondContact O-N 2.71Å; L102-V106 HydrophobicContact CD2-CG2 4.37Å; L102-V106 HydrophobicContact CG-CG2 4.04Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.04Å |
| 103 | E | 91 | Very high | 92.2 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.5 | -42.9 | -175.5 | -168.1 | 72.8 | -171.6 | 0 | 0 | 114 | F10 H46 P100 Y105 V106 N107 | F10-E103 HydrophobicContact CE1-CB 4.34Å; F10-E103 HydrophobicContact CE2-CB 3.95Å; F10-E103 HydrophobicContact CE2-CG 3.94Å; F10-E103 HydrophobicContact CZ-CB 3.49Å; F10-E103 VanDerWaalsContact CZ-CB 3.49Å; F10-E103 HydrophobicContact CZ-CG 3.85Å; H46-E103 IonicContact CE1-OE2 3.86Å; P100-E103 HydrophobicContact CB-CB 4.18Å; P100-E103 WeakPolarHBondContact O-CB 3.46Å; P100-E103 PolarHBondContact O-N 2.84Å; E103-Y105 VanDerWaalsContact C-N 3.25Å; E103-Y105 PolarHBondContact O-N 2.92Å; E103-V106 PolarHBondContact O-N 3.41Å; E103-N107 WeakPolarHBondContact O-CB 3.27Å; E103-N107 VanDerWaalsContact O-CG 3.28Å; E103-N107 PolarHBondContact O-N 3.29Å; E103-N107 PolarHBondContact O-ND2 3.39Å |
| 104 | P | 90 | Very high | 92.2 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.6 | -22.7 | 35.1 | 0 | 0 | 0 | 112.4 | F10 Y101 L102 V108 | F10-P104 HydrophobicContact CB-CG 4.25Å; F10-P104 HydrophobicContact CD1-CG 3.97Å; F10-P104 HydrophobicContact CD2-CG 3.88Å; F10-P104 HydrophobicContact CE1-CG 4.29Å; F10-P104 HydrophobicContact CE2-CG 4.19Å; F10-P104 HydrophobicContact CG-CG 3.75Å; F10-P104 HydrophobicContact CZ-CG 4.39Å; Y101-P104 WeakPolarHBondContact O-CD 3.3Å; L102-P104 VanDerWaalsContact C-CD 3.46Å; P104-V108 WeakPolarHBondContact O-CG2 3.49Å; P104-V108 PolarHBondContact O-N 2.91Å |
| 105 | Y | 91.2 | Very high | 92.3 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.6 | -41.1 | 179 | -58.6 | -85.2 | 0 | 0 | 0 | 111.3 | R61 L62 P63 L102 E103 N107 V108 V109 | R61-Y105 HydrophobicContact CB-CD1 3.91Å; R61-Y105 WeakPolarHBondContact O-CE1 3.33Å; L62-Y105 HydrophobicContact CD1-CD2 4.02Å; L62-Y105 HydrophobicContact CD1-CE2 3.6Å; P63-Y105 WeakPolarHBondContact CD-OH 3.45Å; P63-Y105 WeakPolarHBondContact CG-OH 3.47Å; L102-Y105 WeakPolarHBondContact O-CB 3.32Å; L102-Y105 PolarHBondContact O-N 2.71Å; E103-Y105 VanDerWaalsContact C-N 3.25Å; E103-Y105 PolarHBondContact O-N 2.92Å; Y105-N107 VanDerWaalsContact C-N 3.34Å; Y105-N107 PolarHBondContact O-N 3.41Å; Y105-V108 PolarHBondContact O-N 3.48Å; Y105-V109 WeakPolarHBondContact O-CG2 3.33Å; Y105-V109 PolarHBondContact O-N 3.35Å |
| 106 | V | 92.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | V54 A58 L102 E103 V108 V109 V110 | V54-V106 HydrophobicContact CG1-CG1 3.91Å; A58-V106 HydrophobicContact CB-CG2 3.72Å; L102-V106 HydrophobicContact CD2-CG2 4.37Å; L102-V106 HydrophobicContact CG-CG2 4.04Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.04Å; E103-V106 PolarHBondContact O-N 3.41Å; V106-V108 VanDerWaalsContact C-N 3.3Å; V106-V108 PolarHBondContact O-N 3Å; V106-V109 PolarHBondContact O-N 2.99Å; V106-V109 VanDerWaalsContact O-N 3.15Å; V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CG2 3.27Å; V106-V110 PolarHBondContact O-N 3.25Å |
| 107 | N | 92.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 179.5 | -73.2 | -25.8 | 0 | 0 | 0 | 112.7 | E103 Y105 K111 | E103-N107 WeakPolarHBondContact O-CB 3.27Å; E103-N107 VanDerWaalsContact O-CG 3.28Å; E103-N107 PolarHBondContact O-N 3.29Å; E103-N107 PolarHBondContact O-ND2 3.39Å; Y105-N107 VanDerWaalsContact C-N 3.34Å; Y105-N107 PolarHBondContact O-N 3.41Å; N107-K111 VanDerWaalsContact O-CB 3.27Å; N107-K111 WeakPolarHBondContact O-CB 3.36Å; N107-K111 PolarHBondContact O-N 3.24Å |
| 108 | V | 91.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 24% | 0.242 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | Y3 P104 Y105 V106 K111 E112 | Y3-V108 HydrophobicContact CE1-CG1 4.41Å; Y3-V108 HydrophobicContact CE1-CG2 4.09Å; P104-V108 WeakPolarHBondContact O-CG2 3.49Å; P104-V108 PolarHBondContact O-N 2.91Å; Y105-V108 PolarHBondContact O-N 3.48Å; V106-V108 VanDerWaalsContact C-N 3.3Å; V106-V108 PolarHBondContact O-N 3Å; V108-K111 PolarHBondContact O-N 3.28Å; V108-E112 VanDerWaalsContact CG1-OE1 3.3Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.45Å |
| 109 | V | 93.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | V54 E57 Y105 V106 K111 E112 M113 | V54-V109 HydrophobicContact CB-CG1 4.36Å; V54-V109 HydrophobicContact CG1-CB 4.14Å; V54-V109 HydrophobicContact CG1-CG1 3.88Å; E57-V109 HydrophobicContact CB-CG1 4.16Å; E57-V109 HydrophobicContact CB-CG2 4.24Å; E57-V109 HydrophobicContact CG-CG1 3.99Å; E57-V109 HydrophobicContact CG-CG2 3.74Å; Y105-V109 WeakPolarHBondContact O-CG2 3.33Å; Y105-V109 PolarHBondContact O-N 3.35Å; V106-V109 PolarHBondContact O-N 2.99Å; V106-V109 VanDerWaalsContact O-N 3.15Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 3.34Å; V109-E112 PolarHBondContact O-N 3Å; V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 4.09Å; V109-M113 WeakPolarHBondContact O-CG 3.27Å; V109-M113 PolarHBondContact O-N 3.34Å |
| 110 | V | 94.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 69.6 Ų | 69.6 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | V54 V106 M113 S114 | V54-V110 HydrophobicContact CG1-CG2 3.7Å; V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CG2 3.27Å; V106-V110 PolarHBondContact O-N 3.25Å; V110-M113 PolarHBondContact O-N 3.36Å; V110-S114 WeakPolarHBondContact O-CB 3.46Å; V110-S114 PolarHBondContact O-N 3.01Å |
| 111 | K | 94.1 | Very high | 92.9 | Very high | 138 Ų | 138 | 74.3 Ų | 74.3 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -49 | 176.1 | -173.9 | -178.9 | 178 | -175.6 | 0 | 111.6 | N107 V108 V109 M113 S114 D115 | N107-K111 VanDerWaalsContact O-CB 3.27Å; N107-K111 WeakPolarHBondContact O-CB 3.36Å; N107-K111 PolarHBondContact O-N 3.24Å; V108-K111 PolarHBondContact O-N 3.28Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 3.34Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; K111-S114 PolarHBondContact O-N 3.48Å; K111-D115 WeakPolarHBondContact O-CB 3.37Å; K111-D115 PolarHBondContact O-N 2.83Å |
| 112 | E | 94.2 | Very high | 92.8 | Very high | 65 Ų | 65 | 79.2 Ų | 79.2 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 177.3 | -73.3 | 170.9 | -164 | 0 | 0 | 112.8 | R61 V108 V109 R116 | R61-E112 IonicContact CZ-OE1 3.31Å; R61-E112 IonicContact CZ-OE2 3.36Å; R61-E112 VanDerWaalsContact CZ-OE2 3.31Å; R61-E112 IonicContact NH1-OE1 3.04Å; R61-E112 PolarHBondContact NH1-OE1 3.43Å; R61-E112 IonicContact NH1-OE2 2.92Å; R61-E112 PolarHBondContact NH1-OE2 2.94Å; R61-E112 IonicContact NH2-OE1 2.71Å; R61-E112 IonicContact NH2-OE2 2.91Å; R61-E112 PolarHBondContact NH2-OE2 2.93Å; V108-E112 VanDerWaalsContact CG1-OE1 3.3Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.45Å; V109-E112 PolarHBondContact O-N 3Å; E112-R116 WeakPolarHBondContact O-CB 3.33Å; E112-R116 PolarHBondContact O-N 3.18Å |
| 113 | M | 94.2 | Very high | 92.5 | Very high | 97 Ų | 97 | 83 Ų | 83 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 175.7 | -72.5 | -179.8 | 69.6 | 0 | 0 | 111.9 | V54 V109 V110 K111 R116 S117 | V54-M113 HydrophobicContact CG2-CE 4.42Å; V54-M113 HydrophobicContact CG2-SD 3.68Å; V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 4.09Å; V109-M113 WeakPolarHBondContact O-CG 3.27Å; V109-M113 PolarHBondContact O-N 3.34Å; V110-M113 PolarHBondContact O-N 3.36Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; M113-R116 PolarHBondContact O-N 2.9Å; M113-S117 WeakPolarHBondContact O-CB 3.36Å; M113-S117 PolarHBondContact O-N 2.98Å |
| 114 | S | 94.9 | Very high | 92.2 | Very high | 57 Ų | 57 | 82.2 Ų | 82.2 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.8 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | V110 K111 R116 S117 N118 | V110-S114 WeakPolarHBondContact O-CB 3.46Å; V110-S114 PolarHBondContact O-N 3.01Å; K111-S114 PolarHBondContact O-N 3.48Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.92Å; S114-S117 PolarHBondContact O-N 3.48Å; S114-N118 WeakPolarHBondContact O-CB 3.46Å; S114-N118 PolarHBondContact O-N 3.02Å; S114-N118 PolarHBondContact O-ND2 3.3Å |
| 115 | D | 94.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 85.4 Ų | 85.4 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.4 | -69.2 | -17.9 | 0 | 0 | 0 | 110.6 | K111 N118 W119 | K111-D115 WeakPolarHBondContact O-CB 3.37Å; K111-D115 PolarHBondContact O-N 2.83Å; D115-N118 PolarHBondContact O-N 3.42Å; D115-W119 WeakPolarHBondContact O-CB 3.38Å; D115-W119 PolarHBondContact O-N 3.32Å |
| 116 | R | 94.5 | Very high | 91.1 | Very high | 156 Ų | 156 | 90.2 Ų | 90.2 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.9 | -46.7 | 174 | -169.9 | -178.4 | -48.5 | 176.6 | 6.9 | 112.4 | E112 M113 S114 N118 W119 D120 | E112-R116 WeakPolarHBondContact O-CB 3.33Å; E112-R116 PolarHBondContact O-N 3.18Å; M113-R116 PolarHBondContact O-N 2.9Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.92Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 3.39Å; R116-W119 WeakPolarHBondContact O-CB 3.17Å; R116-W119 PolarHBondContact O-N 3.09Å; R116-W119 VanDerWaalsContact O-N 3.13Å; R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.85Å |
| 117 | S | 94 | Very high | 90.1 | Very high | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | M113 S114 W119 N121 | M113-S117 WeakPolarHBondContact O-CB 3.36Å; M113-S117 PolarHBondContact O-N 2.98Å; S114-S117 PolarHBondContact O-N 3.48Å; S117-W119 VanDerWaalsContact C-N 3.34Å; S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 PolarHBondContact O-N 2.79Å; S117-N121 VanDerWaalsContact O-N 3.11Å; S117-N121 PolarHBondContact O-ND2 3.13Å |
| 118 | N | 93.8 | Very high | 88.8 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 176.1 | -71.8 | -20.1 | 0 | 0 | 0 | 111.6 | S114 D115 R116 N121 F122 | S114-N118 WeakPolarHBondContact O-CB 3.46Å; S114-N118 PolarHBondContact O-N 3.02Å; S114-N118 PolarHBondContact O-ND2 3.3Å; D115-N118 PolarHBondContact O-N 3.42Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 3.39Å; N118-N121 CarbonylContact O-C 3.58Å; N118-F122 WeakPolarHBondContact O-CA 3.48Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 2.87Å |
| 119 | W | 92.2 | Very high | 87.6 | Confident | 190 Ų | 190 | 101.9 Ų | 101.9 | 72% | 0.72 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -44.2 | 175.5 | -175.3 | -98.5 | 0 | 0 | 0 | 112.5 | D115 R116 S117 N121 F122 | D115-W119 WeakPolarHBondContact O-CB 3.38Å; D115-W119 PolarHBondContact O-N 3.32Å; R116-W119 WeakPolarHBondContact O-CB 3.17Å; R116-W119 PolarHBondContact O-N 3.09Å; R116-W119 VanDerWaalsContact O-N 3.13Å; S117-W119 VanDerWaalsContact C-N 3.34Å; W119-N121 VanDerWaalsContact C-N 3.26Å; W119-N121 PolarHBondContact O-N 3.37Å; W119-F122 WeakPolarHBondContact O-CB 3.43Å; W119-F122 PolarHBondContact O-N 3.11Å; W119-F122 VanDerWaalsContact O-N 3.09Å |
| 120 | D | 93.4 | Very high | 86 | Confident | 117 Ų | 117 | 113.8 Ų | 113.8 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -30.2 | 179.7 | -66.5 | -19.1 | 0 | 0 | 0 | 112.1 | R116 | R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.85Å |
| 121 | N | 90.8 | Very high | 85.6 | Confident | 119 Ų | 119 | 115.7 Ų | 115.7 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 10.8 | 174.3 | -62.4 | -66.4 | 0 | 0 | 0 | 113.1 | S117 N118 W119 V123 | S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 PolarHBondContact O-N 2.79Å; S117-N121 VanDerWaalsContact O-N 3.11Å; S117-N121 PolarHBondContact O-ND2 3.13Å; N118-N121 CarbonylContact O-C 3.58Å; W119-N121 VanDerWaalsContact C-N 3.26Å; W119-N121 PolarHBondContact O-N 3.37Å; N121-V123 PolarHBondContact O-N 3.18Å |
| 122 | F | 89.5 | Confident | 85.2 | Confident | 126 Ų | 126 | 114.5 Ų | 114.5 | 55% | 0.553 | 57% | 0.572 | S | S | * | * | trans | -69.3 | 114.5 | 178.6 | 179.4 | -99.3 | 0 | 0 | 0 | 109.2 | N118 W119 N124 | N118-F122 WeakPolarHBondContact O-CA 3.48Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 2.87Å; W119-F122 WeakPolarHBondContact O-CB 3.43Å; W119-F122 PolarHBondContact O-N 3.11Å; W119-F122 VanDerWaalsContact O-N 3.09Å; F122-N124 HydrophobicContact CE1-CB 4.33Å | ||
| 123 | V | 85.6 | Confident | 84.7 | Confident | 80 Ų | 80 | 117.3 Ų | 117.3 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | trans | -94 | 119 | 173 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | N121 P125 Y128 | N121-V123 PolarHBondContact O-N 3.18Å; V123-P125 WeakPolarHBondContact O-CD 3.48Å; V123-Y128 HydrophobicContact CG1-CD2 4.48Å; V123-Y128 HydrophobicContact CG1-CE2 3.46Å; V123-Y128 VanDerWaalsContact CG1-CE2 3.46Å | ||
| 124 | N | 83.5 | Confident | 84.1 | Confident | 54 Ų | 54 | 118.5 Ų | 118.5 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | trans | -63.7 | 119.7 | 178.9 | 179.2 | 3 | 0 | 0 | 0 | 109.2 | F122 E126 I127 | F122-N124 HydrophobicContact CE1-CB 4.33Å; N124-E126 PolarHBondContact ND2-OE2 3.3Å; N124-E126 VanDerWaalsContact ND2-OE2 3.15Å; N124-E126 PolarHBondContact O-N 3.13Å; N124-E126 VanDerWaalsContact O-N 3.13Å; N124-E126 WeakPolarHBondContact OD1-CG 3.35Å; N124-E126 PolarHBondContact OD1-N 3.07Å; N124-I127 HydrophobicContact CB-CD1 3.79Å; N124-I127 HydrophobicContact CB-CG1 4.01Å; N124-I127 WeakPolarHBondContact O-CB 3.5Å; N124-I127 PolarHBondContact O-N 3.15Å; N124-I127 VanDerWaalsContact O-N 3.13Å | ||
| 125 | P | 80.9 | Confident | 83.4 | Confident | 92 Ų | 92 | 122.3 Ų | 122.3 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -58.8 | -24.4 | -179.8 | 22.4 | -33.8 | 0 | 0 | 0 | 113.9 | V123 I127 Y128 | V123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-I127 PolarHBondContact O-N 3.13Å; P125-Y128 PolarHBondContact O-N 2.85Å |
| 126 | E | 78.2 | Confident | 82.7 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -67.2 | -21.9 | 179 | -62.2 | 173.4 | 161.1 | 0 | 0 | 113.4 | N124 Y128 S129 | N124-E126 PolarHBondContact ND2-OE2 3.3Å; N124-E126 VanDerWaalsContact ND2-OE2 3.15Å; N124-E126 PolarHBondContact O-N 3.13Å; N124-E126 VanDerWaalsContact O-N 3.13Å; N124-E126 WeakPolarHBondContact OD1-CG 3.35Å; N124-E126 PolarHBondContact OD1-N 3.07Å; E126-Y128 PolarHBondContact O-N 3.38Å; E126-S129 WeakPolarHBondContact CA-OG 3.45Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 3.18Å |
| 127 | I | 70.7 | Confident | 81.9 | Confident | 116 Ų | 116 | 122.5 Ų | 122.5 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -67.9 | -16.6 | -179 | -60.9 | 172.1 | 0 | 0 | 0 | 111.5 | N124 P125 | N124-I127 HydrophobicContact CB-CD1 3.79Å; N124-I127 HydrophobicContact CB-CG1 4.01Å; N124-I127 WeakPolarHBondContact O-CB 3.5Å; N124-I127 PolarHBondContact O-N 3.15Å; N124-I127 VanDerWaalsContact O-N 3.13Å; P125-I127 PolarHBondContact O-N 3.13Å |
| 128 | Y | 66.7 | Low | 80.9 | Confident | 174 Ų | 174 | 127.5 Ų | 127.5 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -110.6 | 11.8 | 179.7 | -57.4 | -70.5 | 0 | 0 | 0 | 114.4 | V123 P125 E126 | V123-Y128 HydrophobicContact CG1-CD2 4.48Å; V123-Y128 HydrophobicContact CG1-CE2 3.46Å; V123-Y128 VanDerWaalsContact CG1-CE2 3.46Å; P125-Y128 PolarHBondContact O-N 2.85Å; E126-Y128 PolarHBondContact O-N 3.38Å |
| 129 | S | 66.1 | Low | 79.8 | Confident | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 64% | 0.64 | S | S | * | * | trans | -96.9 | 21.1 | -179.8 | 47.4 | 0 | 0 | 0 | 0 | 115.1 | E126 | E126-S129 WeakPolarHBondContact CA-OG 3.45Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 3.18Å | ||
| 130 | E | 60.6 | Low | 78.7 | Confident | 253 Ų | 253 | 124.2 Ų | 124.2 | 100% | 1.182 | 63% | 0.633 | S | S | * | * | trans | -92.1 | 0 | 166.8 | -63.9 | -175.1 | 176.6 | 0 | 0 | 111.4 |
Retrieved 130 of 130 residues in 131.4 ms
(Link to these results)