| 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 | 64.4 | Low | 87.6 | Confident | 176 Ų | 176 | 71.8 Ų | 71.8 | 87% | 0.867 | 38% | 0.378 | S | S | * | . | 0 | 114.2 | 0 | -90.8 | -172.7 | -81.7 | 0 | 0 | 107.1 | A13 | M1-A13 HydrophobicContact SD-CB 4.21Š| |||
| 2 | E | 83.9 | Confident | 88.3 | Confident | 117 Ų | 117 | 79.8 Ų | 79.8 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | trans | -119.3 | 121.5 | -178.9 | -164.1 | -173 | 169.2 | 0 | 0 | 108.3 | S4 T5 M6 | E2-S4 VanDerWaalsContact CG-OG 3.25Å; E2-S4 WeakPolarHBondContact CG-OG 3.46Å; E2-S4 PolarHBondContact O-N 3.34Å; E2-S4 PolarHBondContact OE1-OG 3.22Å; E2-T5 PolarHBondContact O-N 3.18Å; E2-T5 PolarHBondContact O-OG1 3.33Å; E2-M6 PolarHBondContact O-N 2.95Å | ||
| 3 | W | 88.9 | Confident | 88.8 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 6% | 0.057 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.6 | -174.5 | -76.2 | 94.2 | 0 | 0 | 0 | 113.7 | T5 G7 C10 L14 V40 F41 L48 V52 Y56 I60 | W3-T5 VanDerWaalsContact C-N 3.32Å; W3-T5 PolarHBondContact O-N 3.44Å; W3-G7 VanDerWaalsContact O-CA 3.25Å; W3-G7 WeakPolarHBondContact O-CA 3.45Å; W3-G7 PolarHBondContact O-N 3.23Å; W3-C10 HydrophobicContact CD2-CB 3.72Å; W3-C10 HydrophobicContact CE3-CB 3.79Å; W3-C10 HydrophobicContact CG-CB 4.32Å; W3-C10 HydrophobicContact CH2-CB 4Å; W3-C10 HydrophobicContact CZ2-CB 3.95Å; W3-C10 HydrophobicContact CZ3-CB 3.94Å; W3-L14 HydrophobicContact CH2-CD1 4.25Å; W3-L14 HydrophobicContact CZ2-CD1 3.92Å; W3-V40 PolarHBondContact NE1-O 3.09Å; W3-F41 HydrophobicContact CD2-CD2 4.24Å; W3-F41 AromaticContact CE2-CD2 3.9Å; W3-F41 HydrophobicContact CE3-CD2 4.32Å; W3-F41 AromaticContact CH2-CD2 3.83Å; W3-F41 HydrophobicContact CH2-CD2 3.83Å; W3-F41 HydrophobicContact CZ2-CB 3.95Å; W3-F41 AromaticContact CZ2-CD2 3.71Å; W3-F41 HydrophobicContact CZ2-CD2 3.71Å; W3-F41 HydrophobicContact CZ2-CG 4.29Å; W3-F41 HydrophobicContact CZ3-CD2 4.12Å; W3-F41 HydrophobicContact CZ3-CE2 4.47Å; W3-L48 HydrophobicContact CB-CD2 4Å; W3-L48 HydrophobicContact CG-CD1 4.31Å; W3-L48 HydrophobicContact CG-CD2 3.92Å; W3-V52 HydrophobicContact CB-CG1 3.67Å; W3-V52 HydrophobicContact CB-CG2 4.22Å; W3-V52 HydrophobicContact CD2-CG1 4.22Å; W3-V52 HydrophobicContact CE3-CG1 4.01Å; W3-V52 HydrophobicContact CG-CG1 4.14Å; W3-Y56 HydrophobicContact CE3-CD2 4.03Å; W3-Y56 HydrophobicContact CE3-CE2 4.42Å; W3-Y56 HydrophobicContact CE3-CG 4.34Å; W3-Y56 HydrophobicContact CZ3-CD1 4.18Å; W3-Y56 AromaticContact CZ3-CD2 3.99Å; W3-Y56 HydrophobicContact CZ3-CD2 3.99Å; W3-Y56 AromaticContact CZ3-CG 3.83Å; W3-Y56 HydrophobicContact CZ3-CG 3.83Å; W3-I60 HydrophobicContact CH2-CD1 3.61Å; W3-I60 HydrophobicContact CZ2-CD1 4.36Å; W3-I60 HydrophobicContact CZ3-CD1 4.18Å |
| 4 | S | 83.1 | Confident | 89.3 | Confident | 71 Ų | 71 | 72 Ų | 72 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.8 | -179.2 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | E2 | E2-S4 VanDerWaalsContact CG-OG 3.25Å; E2-S4 WeakPolarHBondContact CG-OG 3.46Å; E2-S4 PolarHBondContact O-N 3.34Å; E2-S4 PolarHBondContact OE1-OG 3.22Å |
| 5 | T | 86.6 | Confident | 89.7 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -27.8 | -175.6 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | E2 W3 | E2-T5 PolarHBondContact O-N 3.18Å; E2-T5 PolarHBondContact O-OG1 3.33Å; W3-T5 VanDerWaalsContact C-N 3.32Å; W3-T5 PolarHBondContact O-N 3.44Å |
| 6 | M | 89.6 | Confident | 90.1 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | trans | -129.6 | 39.7 | -174.5 | -57.2 | -177 | 72.4 | 0 | 0 | 111.8 | E2 T8 E9 C10 | E2-M6 PolarHBondContact O-N 2.95Å; M6-T8 VanDerWaalsContact C-N 3.28Å; M6-T8 PolarHBondContact O-N 3Å; M6-E9 WeakPolarHBondContact CA-OE2 3.39Å; M6-E9 HydrophobicContact CB-CB 4.34Å; M6-E9 HydrophobicContact CE-CB 4.21Å; M6-E9 HydrophobicContact CE-CG 4.07Å; M6-E9 PolarHBondContact O-N 2.99Å; M6-C10 WeakPolarHBondContact O-CB 3.41Å; M6-C10 PolarHBondContact O-N 3.39Å; M6-C10 PolarHBondContact O-SG 3.29Å | ||
| 7 | G | 90.2 | Very high | 90.5 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56 | -40.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W3 Y11 | W3-G7 VanDerWaalsContact O-CA 3.25Å; W3-G7 WeakPolarHBondContact O-CA 3.45Å; W3-G7 PolarHBondContact O-N 3.23Å; G7-Y11 VanDerWaalsContact O-CB 3.22Å; G7-Y11 WeakPolarHBondContact O-CB 3.49Å; G7-Y11 PolarHBondContact O-N 3.47Å |
| 8 | T | 93.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 179.2 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | M6 Y11 R12 Y56 | M6-T8 VanDerWaalsContact C-N 3.28Å; M6-T8 PolarHBondContact O-N 3Å; T8-Y11 PolarHBondContact O-N 3.08Å; T8-R12 WeakPolarHBondContact O-CB 3.25Å; T8-R12 VanDerWaalsContact O-CG 3.29Å; T8-R12 WeakPolarHBondContact O-CG 3.32Å; T8-R12 PolarHBondContact O-N 2.65Å; T8-Y56 PolarHBondContact N-OH 2.96Å |
| 9 | E | 94.7 | Very high | 91.1 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 177.6 | -65.3 | 75.2 | -169.2 | 0 | 0 | 111.1 | M6 Y11 R12 A13 | M6-E9 WeakPolarHBondContact CA-OE2 3.39Å; M6-E9 HydrophobicContact CB-CB 4.34Å; M6-E9 HydrophobicContact CE-CB 4.21Å; M6-E9 HydrophobicContact CE-CG 4.07Å; M6-E9 PolarHBondContact O-N 2.99Å; E9-Y11 VanDerWaalsContact C-N 3.31Å; E9-Y11 PolarHBondContact O-N 3.34Å; E9-R12 PolarHBondContact O-N 3.19Å; E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.19Å |
| 10 | C | 93.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | W3 M6 A13 L14 | W3-C10 HydrophobicContact CD2-CB 3.72Å; W3-C10 HydrophobicContact CE3-CB 3.79Å; W3-C10 HydrophobicContact CG-CB 4.32Å; W3-C10 HydrophobicContact CH2-CB 4Å; W3-C10 HydrophobicContact CZ2-CB 3.95Å; W3-C10 HydrophobicContact CZ3-CB 3.94Å; M6-C10 WeakPolarHBondContact O-CB 3.41Å; M6-C10 PolarHBondContact O-N 3.39Å; M6-C10 PolarHBondContact O-SG 3.29Å; C10-A13 PolarHBondContact O-N 3.5Å; C10-L14 VanDerWaalsContact O-CB 3.31Å; C10-L14 WeakPolarHBondContact O-CB 3.25Å; C10-L14 PolarHBondContact O-N 3.19Å |
| 11 | Y | 95.4 | Very high | 91.6 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.3 | 177 | -107.4 | 0 | 0 | 0 | 112.4 | G7 T8 E9 A13 L14 T15 Y56 P59 I60 | G7-Y11 VanDerWaalsContact O-CB 3.22Å; G7-Y11 WeakPolarHBondContact O-CB 3.49Å; G7-Y11 PolarHBondContact O-N 3.47Å; T8-Y11 PolarHBondContact O-N 3.08Å; E9-Y11 VanDerWaalsContact C-N 3.31Å; E9-Y11 PolarHBondContact O-N 3.34Å; Y11-A13 PolarHBondContact O-N 3.08Å; Y11-L14 PolarHBondContact O-N 3.28Å; Y11-T15 HydrophobicContact CD2-CG2 3.86Å; Y11-T15 HydrophobicContact CE1-CG2 4.12Å; Y11-T15 HydrophobicContact CE2-CG2 3.38Å; Y11-T15 HydrophobicContact CG-CG2 4.4Å; Y11-T15 WeakPolarHBondContact O-CB 3.19Å; Y11-T15 WeakPolarHBondContact O-CG2 3.24Å; Y11-T15 PolarHBondContact O-N 3.47Å; Y11-T15 PolarHBondContact O-OG1 3.31Å; Y11-Y56 HydrophobicContact CD1-CE1 4.37Å; Y11-Y56 AromaticContact CD2-CD1 3.67Å; Y11-Y56 HydrophobicContact CD2-CD1 3.67Å; Y11-Y56 HydrophobicContact CD2-CE1 4.27Å; Y11-Y56 HydrophobicContact CE2-CD1 4.45Å; Y11-Y56 AromaticContact CG-CD1 3.71Å; Y11-Y56 HydrophobicContact CG-CD1 3.71Å; Y11-Y56 AromaticContact CG-CE1 3.83Å; Y11-Y56 HydrophobicContact CG-CE1 3.83Å; Y11-P59 HydrophobicContact CE2-CB 3.9Å; Y11-P59 HydrophobicContact CE2-CG 4.03Å; Y11-P59 WeakPolarHBondContact OH-CB 3.38Å; Y11-I60 HydrophobicContact CD2-CD1 4.22Å; Y11-I60 HydrophobicContact CD2-CG1 3.95Å; Y11-I60 HydrophobicContact CE2-CG1 3.95Å |
| 12 | R | 95.6 | Very high | 93 | Very high | 167 Ų | 167 | 57.3 Ų | 57.3 | 63% | 0.63 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 177.7 | -77 | 175.1 | 179.3 | 170.3 | 1.7 | 112.1 | T8 E9 T15 S16 | T8-R12 WeakPolarHBondContact O-CB 3.25Å; T8-R12 VanDerWaalsContact O-CG 3.29Å; T8-R12 WeakPolarHBondContact O-CG 3.32Å; T8-R12 PolarHBondContact O-N 2.65Å; E9-R12 PolarHBondContact O-N 3.19Å; R12-T15 PolarHBondContact O-OG1 2.73Å; R12-S16 WeakPolarHBondContact O-CB 3.36Å; R12-S16 PolarHBondContact O-N 3.37Å |
| 13 | A | 94.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 E9 C10 Y11 T15 S16 V17 | M1-A13 HydrophobicContact SD-CB 4.21Å; E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.19Å; C10-A13 PolarHBondContact O-N 3.5Å; Y11-A13 PolarHBondContact O-N 3.08Å; A13-T15 PolarHBondContact O-N 3.17Å; A13-S16 PolarHBondContact O-N 2.96Å; A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.42Å |
| 14 | L | 95.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 179.3 | -177.4 | 156.6 | 0 | 0 | 0 | 111.3 | W3 C10 Y11 V17 T18 A37 L38 F41 I60 | W3-L14 HydrophobicContact CH2-CD1 4.25Å; W3-L14 HydrophobicContact CZ2-CD1 3.92Å; C10-L14 VanDerWaalsContact O-CB 3.31Å; C10-L14 WeakPolarHBondContact O-CB 3.25Å; C10-L14 PolarHBondContact O-N 3.19Å; Y11-L14 PolarHBondContact O-N 3.28Å; L14-V17 PolarHBondContact O-N 3.4Å; L14-T18 HydrophobicContact CD2-CG2 4.14Å; L14-T18 WeakPolarHBondContact O-CB 3.05Å; L14-T18 WeakPolarHBondContact O-CG2 3.12Å; L14-T18 PolarHBondContact O-N 3Å; L14-T18 PolarHBondContact O-OG1 3.01Å; L14-A37 WeakPolarHBondContact CD1-O 3.45Å; L14-L38 HydrophobicContact CD2-CD2 4.39Å; L14-F41 HydrophobicContact CD1-CB 3.99Å; L14-I60 HydrophobicContact CD1-CD1 4.41Å; L14-I60 HydrophobicContact CD2-CG1 4.38Å; L14-I60 HydrophobicContact CD2-CG2 4.33Å |
| 15 | T | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -38.8 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | Y11 R12 A13 V17 T18 D19 Y63 | Y11-T15 HydrophobicContact CD2-CG2 3.86Å; Y11-T15 HydrophobicContact CE1-CG2 4.12Å; Y11-T15 HydrophobicContact CE2-CG2 3.38Å; Y11-T15 HydrophobicContact CG-CG2 4.4Å; Y11-T15 WeakPolarHBondContact O-CB 3.19Å; Y11-T15 WeakPolarHBondContact O-CG2 3.24Å; Y11-T15 PolarHBondContact O-N 3.47Å; Y11-T15 PolarHBondContact O-OG1 3.31Å; R12-T15 PolarHBondContact O-OG1 2.73Å; A13-T15 PolarHBondContact O-N 3.17Å; T15-V17 PolarHBondContact O-N 3.45Å; T15-T18 WeakPolarHBondContact CA-OG1 3.2Å; T15-T18 PolarHBondContact O-OG1 3.09Å; T15-D19 WeakPolarHBondContact O-CB 3.34Å; T15-D19 PolarHBondContact O-N 3.08Å; T15-Y63 HydrophobicContact CG2-CD2 4.23Å; T15-Y63 HydrophobicContact CG2-CE2 3.57Å |
| 16 | S | 96.5 | Very high | 94.6 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | R12 A13 Y20 | R12-S16 WeakPolarHBondContact O-CB 3.36Å; R12-S16 PolarHBondContact O-N 3.37Å; A13-S16 PolarHBondContact O-N 2.96Å; S16-Y20 VanDerWaalsContact O-CB 3.28Å; S16-Y20 WeakPolarHBondContact O-CB 3.43Å; S16-Y20 PolarHBondContact O-N 2.88Å; S16-Y20 VanDerWaalsContact O-N 3.16Å |
| 17 | V | 96.1 | Very high | 94.8 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.7 | -49.6 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | A13 L14 T15 D19 Y20 L21 A37 | A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.42Å; L14-V17 PolarHBondContact O-N 3.4Å; T15-V17 PolarHBondContact O-N 3.45Å; V17-D19 PolarHBondContact O-N 3.33Å; V17-Y20 PolarHBondContact O-N 3.24Å; V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 4.41Å; V17-L21 VanDerWaalsContact O-CG 3.31Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 2.75Å; V17-A37 HydrophobicContact CG1-CB 4.22Å |
| 18 | T | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | -177.9 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | L14 T15 L21 L22 L34 A37 L38 | L14-T18 HydrophobicContact CD2-CG2 4.14Å; L14-T18 WeakPolarHBondContact O-CB 3.05Å; L14-T18 WeakPolarHBondContact O-CG2 3.12Å; L14-T18 PolarHBondContact O-N 3Å; L14-T18 PolarHBondContact O-OG1 3.01Å; T15-T18 WeakPolarHBondContact CA-OG1 3.2Å; T15-T18 PolarHBondContact O-OG1 3.09Å; T18-L21 PolarHBondContact O-N 3Å; T18-L22 WeakPolarHBondContact O-CB 3.27Å; T18-L22 VanDerWaalsContact O-CG 3.24Å; T18-L22 WeakPolarHBondContact O-CG 3.5Å; T18-L22 PolarHBondContact O-N 2.86Å; T18-L34 HydrophobicContact CG2-CD2 4Å; T18-A37 HydrophobicContact CG2-CB 3.95Å; T18-L38 HydrophobicContact CG2-CD2 4.09Å; T18-L38 HydrophobicContact CG2-CG 4.14Å |
| 19 | D | 95.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 20% | 0.198 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 177.5 | -166.3 | 55.6 | 0 | 0 | 0 | 112.3 | T15 V17 R23 Y63 R66 | T15-D19 WeakPolarHBondContact O-CB 3.34Å; T15-D19 PolarHBondContact O-N 3.08Å; V17-D19 PolarHBondContact O-N 3.33Å; D19-R23 WeakPolarHBondContact O-CG 3.24Å; D19-R23 PolarHBondContact O-N 2.97Å; D19-R23 IonicContact OD2-CZ 3.13Å; D19-R23 IonicContact OD2-NE 3.19Å; D19-R23 PolarHBondContact OD2-NE 2.86Å; D19-R23 IonicContact OD2-NH2 2.65Å; D19-R23 PolarHBondContact OD2-NH2 3.49Å; D19-Y63 HydrophobicContact CB-CE1 3.98Å; D19-R66 IonicContact OD1-NH1 3.5Å; D19-R66 PolarHBondContact OD1-NH1 3.23Å |
| 20 | Y | 96.6 | Very high | 95.3 | Very high | 147 Ų | 147 | 71.7 Ų | 71.7 | 58% | 0.576 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -50 | 174.1 | 172.6 | -104.3 | 0 | 0 | 0 | 111.5 | S16 V17 L22 R23 L24 | S16-Y20 VanDerWaalsContact O-CB 3.28Å; S16-Y20 WeakPolarHBondContact O-CB 3.43Å; S16-Y20 PolarHBondContact O-N 2.88Å; S16-Y20 VanDerWaalsContact O-N 3.16Å; V17-Y20 PolarHBondContact O-N 3.24Å; Y20-L22 PolarHBondContact O-N 2.87Å; Y20-R23 PolarHBondContact O-N 3.46Å; Y20-L24 HydrophobicContact CE1-CD1 3.9Å |
| 21 | L | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | -178.2 | -69.3 | 173.8 | 0 | 0 | 0 | 112.5 | V17 T18 R23 L24 R30 Q33 L34 | V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 4.41Å; V17-L21 VanDerWaalsContact O-CG 3.31Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 2.75Å; T18-L21 PolarHBondContact O-N 3Å; L21-R23 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 2.7Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L21-R30 HydrophobicContact CD2-CG 4.38Å; L21-Q33 HydrophobicContact CD1-CB 3.67Å; L21-L34 HydrophobicContact CB-CD1 4.25Å; L21-L34 HydrophobicContact CB-CD2 3.73Å; L21-L34 HydrophobicContact CB-CG 3.84Å; L21-L34 HydrophobicContact CD1-CD2 4.04Å; L21-L34 HydrophobicContact CD1-CG 3.95Å |
| 22 | L | 94.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.2 | 177.8 | -74.1 | 171.6 | 0 | 0 | 0 | 114.3 | T18 Y20 L26 L34 Y63 R66 F67 | T18-L22 WeakPolarHBondContact O-CB 3.27Å; T18-L22 VanDerWaalsContact O-CG 3.24Å; T18-L22 WeakPolarHBondContact O-CG 3.5Å; T18-L22 PolarHBondContact O-N 2.86Å; Y20-L22 PolarHBondContact O-N 2.87Å; L22-L26 HydrophobicContact CD2-CD1 4.41Å; L22-L34 HydrophobicContact CD2-CD1 3.83Å; L22-L34 HydrophobicContact CD2-CD2 4.47Å; L22-L34 HydrophobicContact CG-CD1 4.22Å; L22-L34 HydrophobicContact CG-CD2 4.09Å; L22-Y63 HydrophobicContact CD1-CD1 4.15Å; L22-R66 HydrophobicContact CD1-CB 4.05Å; L22-F67 HydrophobicContact CD2-CB 4.45Å |
| 23 | R | 94.8 | Very high | 95.6 | Very high | 184 Ų | 184 | 70.3 Ų | 70.3 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.7 | 173.2 | -69.7 | 171.2 | -172.4 | -168.1 | 0.9 | 112.8 | D19 Y20 L21 | D19-R23 WeakPolarHBondContact O-CG 3.24Å; D19-R23 PolarHBondContact O-N 2.97Å; D19-R23 IonicContact OD2-CZ 3.13Å; D19-R23 IonicContact OD2-NE 3.19Å; D19-R23 PolarHBondContact OD2-NE 2.86Å; D19-R23 IonicContact OD2-NH2 2.65Å; D19-R23 PolarHBondContact OD2-NH2 3.49Å; Y20-R23 PolarHBondContact O-N 3.46Å; L21-R23 PolarHBondContact O-N 3.03Å |
| 24 | L | 94.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 68.5 Ų | 68.5 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90.8 | 160.3 | 176.7 | -56.2 | 178.8 | 0 | 0 | 0 | 110 | Y20 L21 L26 | Y20-L24 HydrophobicContact CE1-CD1 3.9Å; L21-L24 PolarHBondContact O-N 2.7Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L24-L26 PolarHBondContact O-N 3.5Å |
| 25 | E | 93.3 | Very high | 95.7 | Very high | 168 Ų | 168 | 74.2 Ų | 74.2 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 126.2 | 165.8 | -174.9 | 174.2 | -176.8 | 0 | 0 | 108.8 | D27 R30 | E25-D27 PolarHBondContact O-N 3.23Å; E25-R30 WeakPolarHBondContact O-CD 3.34Å; E25-R30 PolarHBondContact O-NH1 2.91Å |
| 26 | L | 93.7 | Very high | 95.8 | Very high | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 123.1 | -177.1 | -62.1 | -174.9 | 0 | 0 | 0 | 109.7 | L22 L24 R30 E31 L34 H70 | L22-L26 HydrophobicContact CD2-CD1 4.41Å; L24-L26 PolarHBondContact O-N 3.5Å; L26-R30 HydrophobicContact CD2-CB 4.16Å; L26-E31 HydrophobicContact CB-CG 4.17Å; L26-L34 HydrophobicContact CD1-CD1 4.16Å; L26-L34 HydrophobicContact CD2-CD1 3.69Å; L26-H70 HydrophobicContact CD1-CB 3.57Å |
| 27 | D | 94.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | trans | -116.5 | 172.5 | 166.6 | 61.4 | 35.6 | 0 | 0 | 0 | 108.6 | E25 T29 R30 E31 | E25-D27 PolarHBondContact O-N 3.23Å; D27-T29 PolarHBondContact O-N 3.16Å; D27-T29 WeakPolarHBondContact OD1-CA 3.31Å; D27-T29 WeakPolarHBondContact OD1-CB 3.41Å; D27-T29 PolarHBondContact OD1-N 3.37Å; D27-R30 PolarHBondContact O-N 2.93Å; D27-R30 PolarHBondContact OD1-N 3.34Å; D27-R30 IonicContact OD2-CZ 3.18Å; D27-R30 IonicContact OD2-NE 3.89Å; D27-R30 IonicContact OD2-NH1 2.7Å; D27-R30 PolarHBondContact OD2-NH1 3.31Å; D27-R30 IonicContact OD2-NH2 3.58Å; D27-E31 WeakPolarHBondContact O-CB 3.39Å; D27-E31 VanDerWaalsContact O-CG 3.27Å; D27-E31 WeakPolarHBondContact O-CG 3.36Å; D27-E31 PolarHBondContact O-N 3.19Å | ||
| 28 | Q | 94.8 | Very high | 95.8 | Very high | 165 Ų | 165 | 70.7 Ų | 70.7 | 77% | 0.771 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -54.1 | -31.1 | -178.5 | -167.7 | 174 | 28.6 | 0 | 0 | 113.4 | A32 | Q28-A32 WeakPolarHBondContact O-CB 3.18Å; Q28-A32 PolarHBondContact O-N 3.02Å; Q28-A32 VanDerWaalsContact O-N 3.1Å |
| 29 | T | 96.8 | Very high | 95.7 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.5 | -46.3 | 179 | -59 | 0 | 0 | 0 | 0 | 110.9 | D27 E31 A32 Q33 | D27-T29 PolarHBondContact O-N 3.16Å; D27-T29 WeakPolarHBondContact OD1-CA 3.31Å; D27-T29 WeakPolarHBondContact OD1-CB 3.41Å; D27-T29 PolarHBondContact OD1-N 3.37Å; T29-E31 VanDerWaalsContact C-N 3.32Å; T29-A32 PolarHBondContact O-N 2.75Å; T29-Q33 VanDerWaalsContact O-CG 3.32Å; T29-Q33 WeakPolarHBondContact O-CG 2.94Å; T29-Q33 PolarHBondContact O-N 2.93Å |
| 30 | R | 96.3 | Very high | 95.6 | Very high | 76 Ų | 76 | 73.8 Ų | 73.8 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 178.7 | -66.3 | 173.2 | -171.8 | 112.3 | 14.7 | 111.7 | L21 E25 L26 D27 Q33 L34 | L21-R30 HydrophobicContact CD2-CG 4.38Å; E25-R30 WeakPolarHBondContact O-CD 3.34Å; E25-R30 PolarHBondContact O-NH1 2.91Å; L26-R30 HydrophobicContact CD2-CB 4.16Å; D27-R30 PolarHBondContact O-N 2.93Å; D27-R30 PolarHBondContact OD1-N 3.34Å; D27-R30 IonicContact OD2-CZ 3.18Å; D27-R30 IonicContact OD2-NE 3.89Å; D27-R30 IonicContact OD2-NH1 2.7Å; D27-R30 PolarHBondContact OD2-NH1 3.31Å; D27-R30 IonicContact OD2-NH2 3.58Å; R30-Q33 PolarHBondContact O-N 3.43Å; R30-L34 WeakPolarHBondContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CG 3.36Å; R30-L34 PolarHBondContact O-N 3.35Å |
| 31 | E | 96.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 172.4 | -69.2 | 174.4 | 164.4 | 0 | 0 | 111.2 | L26 D27 T29 Q33 L34 E35 F67 L71 | L26-E31 HydrophobicContact CB-CG 4.17Å; D27-E31 WeakPolarHBondContact O-CB 3.39Å; D27-E31 VanDerWaalsContact O-CG 3.27Å; D27-E31 WeakPolarHBondContact O-CG 3.36Å; D27-E31 PolarHBondContact O-N 3.19Å; T29-E31 VanDerWaalsContact C-N 3.32Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.99Å; E31-L34 PolarHBondContact O-N 2.89Å; E31-L34 VanDerWaalsContact O-N 3.15Å; E31-E35 WeakPolarHBondContact O-CB 3.33Å; E31-E35 PolarHBondContact O-N 3.05Å; E31-F67 HydrophobicContact CB-CE2 4.04Å; E31-F67 HydrophobicContact CB-CZ 4.21Å; E31-F67 HydrophobicContact CG-CE2 4.07Å; E31-F67 WeakPolarHBondContact O-CZ 3.4Å; E31-L71 HydrophobicContact CB-CD2 4.44Å; E31-L71 HydrophobicContact CG-CD2 4.06Å |
| 32 | A | 96.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 71.7 Ų | 71.7 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q28 T29 A36 | Q28-A32 WeakPolarHBondContact O-CB 3.18Å; Q28-A32 PolarHBondContact O-N 3.02Å; Q28-A32 VanDerWaalsContact O-N 3.1Å; T29-A32 PolarHBondContact O-N 2.75Å; A32-A36 VanDerWaalsContact O-CB 3.3Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.49Å |
| 33 | Q | 97.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 74.8 Ų | 74.8 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.5 | -72.2 | 172.8 | -15.1 | 0 | 0 | 112.4 | L21 T29 R30 E31 A36 A37 | L21-Q33 HydrophobicContact CD1-CB 3.67Å; T29-Q33 VanDerWaalsContact O-CG 3.32Å; T29-Q33 WeakPolarHBondContact O-CG 2.94Å; T29-Q33 PolarHBondContact O-N 2.93Å; R30-Q33 PolarHBondContact O-N 3.43Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.99Å; Q33-A36 PolarHBondContact O-N 2.93Å; Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.86Å |
| 34 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | -81.3 | 170.1 | 0 | 0 | 0 | 111.6 | T18 L21 L22 L26 R30 E31 A37 L38 F67 | T18-L34 HydrophobicContact CG2-CD2 4Å; L21-L34 HydrophobicContact CB-CD1 4.25Å; L21-L34 HydrophobicContact CB-CD2 3.73Å; L21-L34 HydrophobicContact CB-CG 3.84Å; L21-L34 HydrophobicContact CD1-CD2 4.04Å; L21-L34 HydrophobicContact CD1-CG 3.95Å; L22-L34 HydrophobicContact CD2-CD1 3.83Å; L22-L34 HydrophobicContact CD2-CD2 4.47Å; L22-L34 HydrophobicContact CG-CD1 4.22Å; L22-L34 HydrophobicContact CG-CD2 4.09Å; L26-L34 HydrophobicContact CD1-CD1 4.16Å; L26-L34 HydrophobicContact CD2-CD1 3.69Å; R30-L34 WeakPolarHBondContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CG 3.36Å; R30-L34 PolarHBondContact O-N 3.35Å; E31-L34 PolarHBondContact O-N 2.89Å; E31-L34 VanDerWaalsContact O-N 3.15Å; L34-A37 PolarHBondContact O-N 3.15Å; L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.33Å; L34-F67 HydrophobicContact CB-CD1 4.38Å; L34-F67 HydrophobicContact CB-CD2 3.91Å; L34-F67 HydrophobicContact CB-CE1 4.26Å; L34-F67 HydrophobicContact CB-CE2 3.8Å; L34-F67 HydrophobicContact CB-CG 4.2Å; L34-F67 HydrophobicContact CB-CZ 3.96Å; L34-F67 HydrophobicContact CD1-CD2 3.58Å; L34-F67 HydrophobicContact CD1-CE2 3.88Å; L34-F67 HydrophobicContact CD1-CG 4.34Å; L34-F67 HydrophobicContact CG-CD2 4.35Å; L34-F67 HydrophobicContact CG-CE2 4.5Å |
| 35 | E | 96.8 | Very high | 95.2 | Very high | 133 Ų | 133 | 71.3 Ų | 71.3 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.2 | -49.1 | 175.3 | -174.6 | 179.5 | 178 | 0 | 0 | 110.8 | E31 A37 L38 G39 F67 | E31-E35 WeakPolarHBondContact O-CB 3.33Å; E31-E35 PolarHBondContact O-N 3.05Å; E35-A37 PolarHBondContact O-N 3.35Å; E35-L38 PolarHBondContact O-N 2.99Å; E35-G39 WeakPolarHBondContact O-CA 3.41Å; E35-G39 PolarHBondContact O-N 2.93Å; E35-F67 HydrophobicContact CB-CE1 4.11Å; E35-F67 HydrophobicContact CB-CZ 4.33Å |
| 36 | A | 96.3 | Very high | 95 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A32 Q33 G39 V40 | A32-A36 VanDerWaalsContact O-CB 3.3Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.49Å; Q33-A36 PolarHBondContact O-N 2.93Å; A36-G39 PolarHBondContact O-N 3.35Å; A36-V40 PolarHBondContact O-N 3.1Å |
| 37 | A | 96 | Very high | 94.9 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 V17 T18 Q33 L34 E35 G39 V40 | L14-A37 WeakPolarHBondContact CD1-O 3.45Å; V17-A37 HydrophobicContact CG1-CB 4.22Å; T18-A37 HydrophobicContact CG2-CB 3.95Å; Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.86Å; L34-A37 PolarHBondContact O-N 3.15Å; E35-A37 PolarHBondContact O-N 3.35Å; A37-G39 VanDerWaalsContact C-N 3.31Å; A37-V40 WeakPolarHBondContact O-CB 3.36Å; A37-V40 PolarHBondContact O-N 2.73Å |
| 38 | L | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 76.4 Ų | 76.4 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 176 | -69.7 | 169.4 | 0 | 0 | 0 | 111.6 | L14 T18 L34 E35 V40 F41 Y42 I60 A64 F67 | L14-L38 HydrophobicContact CD2-CD2 4.39Å; T18-L38 HydrophobicContact CG2-CD2 4.09Å; T18-L38 HydrophobicContact CG2-CG 4.14Å; L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.33Å; E35-L38 PolarHBondContact O-N 2.99Å; L38-V40 PolarHBondContact O-N 3.2Å; L38-F41 PolarHBondContact O-N 2.89Å; L38-Y42 HydrophobicContact CB-CD2 4.21Å; L38-Y42 HydrophobicContact CD2-CE2 4.39Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 PolarHBondContact O-N 3.31Å; L38-I60 HydrophobicContact CD2-CG2 4.2Å; L38-A64 HydrophobicContact CD1-CB 4.29Å; L38-A64 HydrophobicContact CD2-CB 4.41Å; L38-F67 HydrophobicContact CD1-CB 4.14Å; L38-F67 HydrophobicContact CD1-CD1 3.79Å; L38-F67 HydrophobicContact CD1-CG 4.29Å |
| 39 | G | 95.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 71 Ų | 71 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.6 | -30.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E35 A36 A37 F41 Y42 A43 | E35-G39 WeakPolarHBondContact O-CA 3.41Å; E35-G39 PolarHBondContact O-N 2.93Å; A36-G39 PolarHBondContact O-N 3.35Å; A37-G39 VanDerWaalsContact C-N 3.31Å; G39-F41 PolarHBondContact O-N 3.48Å; G39-F41 VanDerWaalsContact O-N 3.09Å; G39-Y42 PolarHBondContact O-N 2.91Å; G39-A43 CarbonylContact O-C 3.2Å; G39-A43 WeakPolarHBondContact O-CA 3.5Å; G39-A43 PolarHBondContact O-N 3.48Å |
| 40 | V | 94.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.1 | -26.1 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | W3 A36 A37 L38 | W3-V40 PolarHBondContact NE1-O 3.09Å; A36-V40 PolarHBondContact O-N 3.1Å; A37-V40 WeakPolarHBondContact O-CB 3.36Å; A37-V40 PolarHBondContact O-N 2.73Å; L38-V40 PolarHBondContact O-N 3.2Å |
| 41 | F | 95.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 5% | 0.048 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -103.2 | -40.5 | 176.1 | -176.8 | -96.7 | 0 | 0 | 0 | 113.1 | W3 L14 L38 G39 P44 L48 V52 R57 I60 | W3-F41 HydrophobicContact CD2-CD2 4.24Å; W3-F41 AromaticContact CE2-CD2 3.9Å; W3-F41 HydrophobicContact CE3-CD2 4.32Å; W3-F41 AromaticContact CH2-CD2 3.83Å; W3-F41 HydrophobicContact CH2-CD2 3.83Å; W3-F41 HydrophobicContact CZ2-CB 3.95Å; W3-F41 AromaticContact CZ2-CD2 3.71Å; W3-F41 HydrophobicContact CZ2-CD2 3.71Å; W3-F41 HydrophobicContact CZ2-CG 4.29Å; W3-F41 HydrophobicContact CZ3-CD2 4.12Å; W3-F41 HydrophobicContact CZ3-CE2 4.47Å; L14-F41 HydrophobicContact CD1-CB 3.99Å; L38-F41 PolarHBondContact O-N 2.89Å; G39-F41 PolarHBondContact O-N 3.48Å; G39-F41 VanDerWaalsContact O-N 3.09Å; F41-P44 WeakPolarHBondContact O-CD 3.49Å; F41-L48 HydrophobicContact CD2-CD1 3.46Å; F41-L48 VanDerWaalsContact CD2-CD1 3.46Å; F41-L48 HydrophobicContact CE2-CD1 3.55Å; F41-L48 HydrophobicContact CG-CD1 4.21Å; F41-L48 HydrophobicContact CZ-CD1 4.35Å; F41-V52 HydrophobicContact CE2-CG1 4.27Å; F41-R57 HydrophobicContact CE1-CB 4.14Å; F41-R57 HydrophobicContact CZ-CB 4.08Å; F41-I60 HydrophobicContact CB-CD1 4.07Å; F41-I60 HydrophobicContact CB-CG2 4.49Å; F41-I60 HydrophobicContact CD1-CB 4.37Å; F41-I60 HydrophobicContact CD1-CD1 3.87Å; F41-I60 HydrophobicContact CD1-CG2 3.95Å; F41-I60 HydrophobicContact CD2-CD1 3.44Å; F41-I60 VanDerWaalsContact CD2-CD1 3.44Å; F41-I60 HydrophobicContact CE1-CD1 4.15Å; F41-I60 HydrophobicContact CE2-CD1 3.76Å; F41-I60 HydrophobicContact CG-CD1 3.5Å; F41-I60 VanDerWaalsContact CG-CD1 3.5Å; F41-I60 HydrophobicContact CG-CG2 4.32Å; F41-I60 HydrophobicContact CZ-CD1 4.1Å |
| 42 | Y | 95.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -87.1 | -27.7 | -173.6 | -73 | -67.6 | 0 | 0 | 0 | 115.2 | L38 G39 P44 I60 S61 A64 | L38-Y42 HydrophobicContact CB-CD2 4.21Å; L38-Y42 HydrophobicContact CD2-CE2 4.39Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 PolarHBondContact O-N 3.31Å; G39-Y42 PolarHBondContact O-N 2.91Å; Y42-P44 VanDerWaalsContact C-CD 3.41Å; Y42-I60 HydrophobicContact CE2-CG2 3.72Å; Y42-S61 WeakPolarHBondContact OH-CA 3.46Å; Y42-S61 PolarHBondContact OH-N 3.43Å; Y42-A64 HydrophobicContact CE2-CB 3.81Å |
| 43 | A | 94.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 70.8 Ų | 70.8 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -133.6 | 53 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G39 | G39-A43 CarbonylContact O-C 3.2Å; G39-A43 WeakPolarHBondContact O-CA 3.5Å; G39-A43 PolarHBondContact O-N 3.48Å |
| 44 | P | 92.5 | Very high | 94.5 | Very high | 33 Ų | 33 | 73.6 Ų | 73.6 | 21% | 0.214 | 42% | 0.424 | C | S | . | . | trans | -69 | 147.3 | -179.3 | 30.2 | -33.5 | 0 | 0 | 0 | 110.3 | F41 Y42 R46 L48 | F41-P44 WeakPolarHBondContact O-CD 3.49Å; Y42-P44 VanDerWaalsContact C-CD 3.41Å; P44-R46 WeakPolarHBondContact CB-O 3.48Å; P44-R46 VanDerWaalsContact CG-O 3.3Å; P44-R46 WeakPolarHBondContact CG-O 3.3Å; P44-R46 PolarHBondContact O-N 3.43Å; P44-R46 VanDerWaalsContact O-N 3.09Å; P44-L48 HydrophobicContact CB-CD2 4.14Å; P44-L48 HydrophobicContact CG-CD2 3.93Å; P44-L48 HydrophobicContact CG-CG 3.88Å | ||
| 45 | P | 88.8 | Confident | 94.4 | Very high | 140 Ų | 140 | 79.2 Ų | 79.2 | 91% | 0.909 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -59.6 | -23.9 | 178.3 | -23.8 | 32.7 | 0 | 0 | 0 | 114 | ||
| 46 | R | 89.7 | Confident | 94.4 | Very high | 212 Ų | 212 | 73.7 Ų | 73.7 | 80% | 0.8 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -123.6 | 133.2 | 171.7 | -64.5 | -176.7 | -178.6 | -165.3 | -0.4 | 108.3 | P44 L48 | P44-R46 WeakPolarHBondContact CB-O 3.48Å; P44-R46 VanDerWaalsContact CG-O 3.3Å; P44-R46 WeakPolarHBondContact CG-O 3.3Å; P44-R46 PolarHBondContact O-N 3.43Å; P44-R46 VanDerWaalsContact O-N 3.09Å; R46-L48 PolarHBondContact O-N 3.06Å |
| 47 | P | 91.9 | Very high | 94.4 | Very high | 127 Ų | 127 | 78.1 Ų | 78.1 | 83% | 0.825 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 137.9 | 177.1 | -25.8 | 34.3 | 0 | 0 | 0 | 111.8 | ||
| 48 | L | 93.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 153.6 | 172.2 | -51.1 | -177.8 | 0 | 0 | 0 | 109.6 | W3 F41 P44 R46 V52 V53 | W3-L48 HydrophobicContact CB-CD2 4Å; W3-L48 HydrophobicContact CG-CD1 4.31Å; W3-L48 HydrophobicContact CG-CD2 3.92Å; F41-L48 HydrophobicContact CD2-CD1 3.46Å; F41-L48 VanDerWaalsContact CD2-CD1 3.46Å; F41-L48 HydrophobicContact CE2-CD1 3.55Å; F41-L48 HydrophobicContact CG-CD1 4.21Å; F41-L48 HydrophobicContact CZ-CD1 4.35Å; P44-L48 HydrophobicContact CB-CD2 4.14Å; P44-L48 HydrophobicContact CG-CD2 3.93Å; P44-L48 HydrophobicContact CG-CG 3.88Å; R46-L48 PolarHBondContact O-N 3.06Å; L48-V52 HydrophobicContact CB-CB 4.31Å; L48-V52 HydrophobicContact CB-CG1 4.02Å; L48-V52 HydrophobicContact CD1-CG1 3.8Å; L48-V52 HydrophobicContact CG-CG1 4.35Å; L48-V53 HydrophobicContact CB-CG2 3.92Å |
| 49 | S | 94.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 80.7 Ų | 80.7 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -67 | 152.8 | 170.7 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | S51 V52 V53 | S49-S51 PolarHBondContact O-N 3.39Å; S49-S51 PolarHBondContact OG-OG 2.92Å; S49-V52 PolarHBondContact O-N 2.84Å; S49-V52 VanDerWaalsContact O-N 3.08Å; S49-V52 WeakPolarHBondContact OG-CG2 3.39Å; S49-V53 PolarHBondContact O-N 3.39Å |
| 50 | D | 94.8 | Very high | 94.4 | Very high | 143 Ų | 143 | 79.7 Ų | 79.7 | 77% | 0.765 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.2 | -33.8 | 177.5 | -67.3 | -26.7 | 0 | 0 | 0 | 112.6 | V53 L54 | D50-V53 PolarHBondContact O-N 3.43Å; D50-L54 VanDerWaalsContact O-CB 3.24Å; D50-L54 WeakPolarHBondContact O-CB 3.29Å; D50-L54 PolarHBondContact O-N 3.37Å |
| 51 | S | 94 | Very high | 94.5 | Very high | 78 Ų | 78 | 76.9 Ų | 76.9 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | S49 L54 E55 | S49-S51 PolarHBondContact O-N 3.39Å; S49-S51 PolarHBondContact OG-OG 2.92Å; S51-L54 PolarHBondContact O-N 3Å; S51-E55 WeakPolarHBondContact O-CB 3.39Å; S51-E55 PolarHBondContact O-N 3.4Å |
| 52 | V | 95.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 82.9 Ų | 82.9 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.8 | 167 | 0 | 0 | 0 | 0 | 110.1 | W3 F41 L48 S49 E55 Y56 | W3-V52 HydrophobicContact CB-CG1 3.67Å; W3-V52 HydrophobicContact CB-CG2 4.22Å; W3-V52 HydrophobicContact CD2-CG1 4.22Å; W3-V52 HydrophobicContact CE3-CG1 4.01Å; W3-V52 HydrophobicContact CG-CG1 4.14Å; F41-V52 HydrophobicContact CE2-CG1 4.27Å; L48-V52 HydrophobicContact CB-CB 4.31Å; L48-V52 HydrophobicContact CB-CG1 4.02Å; L48-V52 HydrophobicContact CD1-CG1 3.8Å; L48-V52 HydrophobicContact CG-CG1 4.35Å; S49-V52 PolarHBondContact O-N 2.84Å; S49-V52 VanDerWaalsContact O-N 3.08Å; S49-V52 WeakPolarHBondContact OG-CG2 3.39Å; V52-E55 PolarHBondContact O-N 3.43Å; V52-Y56 HydrophobicContact CG1-CD2 4.07Å; V52-Y56 WeakPolarHBondContact O-CD2 3.22Å; V52-Y56 PolarHBondContact O-N 3.04Å |
| 53 | V | 95.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L48 S49 D50 E55 R57 | L48-V53 HydrophobicContact CB-CG2 3.92Å; S49-V53 PolarHBondContact O-N 3.39Å; D50-V53 PolarHBondContact O-N 3.43Å; V53-E55 VanDerWaalsContact C-N 3.32Å; V53-E55 PolarHBondContact O-N 3.04Å; V53-R57 HydrophobicContact CG1-CB 4.19Å; V53-R57 WeakPolarHBondContact O-CB 3.21Å; V53-R57 PolarHBondContact O-N 3.39Å |
| 54 | L | 96 | Very high | 94.7 | Very high | 152 Ų | 152 | 76.8 Ų | 76.8 | 80% | 0.796 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | -179.5 | -177.9 | 63.4 | 0 | 0 | 0 | 111.9 | D50 S51 | D50-L54 VanDerWaalsContact O-CB 3.24Å; D50-L54 WeakPolarHBondContact O-CB 3.29Å; D50-L54 PolarHBondContact O-N 3.37Å; S51-L54 PolarHBondContact O-N 3Å |
| 55 | E | 96.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 83.5 Ų | 83.5 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.5 | -46.9 | -178.1 | -171 | 178.4 | 159.7 | 0 | 0 | 112.4 | S51 V52 V53 | S51-E55 WeakPolarHBondContact O-CB 3.39Å; S51-E55 PolarHBondContact O-N 3.4Å; V52-E55 PolarHBondContact O-N 3.43Å; V53-E55 VanDerWaalsContact C-N 3.32Å; V53-E55 PolarHBondContact O-N 3.04Å |
| 56 | Y | 96.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 81.8 Ų | 81.8 | 7% | 0.067 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -103.3 | -17.7 | -166.6 | -64.1 | -72.8 | 0 | 0 | 0 | 115 | W3 T8 Y11 V52 G58 P59 I60 | W3-Y56 HydrophobicContact CE3-CD2 4.03Å; W3-Y56 HydrophobicContact CE3-CE2 4.42Å; W3-Y56 HydrophobicContact CE3-CG 4.34Å; W3-Y56 HydrophobicContact CZ3-CD1 4.18Å; W3-Y56 AromaticContact CZ3-CD2 3.99Å; W3-Y56 HydrophobicContact CZ3-CD2 3.99Å; W3-Y56 AromaticContact CZ3-CG 3.83Å; W3-Y56 HydrophobicContact CZ3-CG 3.83Å; T8-Y56 PolarHBondContact N-OH 2.96Å; Y11-Y56 HydrophobicContact CD1-CE1 4.37Å; Y11-Y56 AromaticContact CD2-CD1 3.67Å; Y11-Y56 HydrophobicContact CD2-CD1 3.67Å; Y11-Y56 HydrophobicContact CD2-CE1 4.27Å; Y11-Y56 HydrophobicContact CE2-CD1 4.45Å; Y11-Y56 AromaticContact CG-CD1 3.71Å; Y11-Y56 HydrophobicContact CG-CD1 3.71Å; Y11-Y56 AromaticContact CG-CE1 3.83Å; Y11-Y56 HydrophobicContact CG-CE1 3.83Å; V52-Y56 HydrophobicContact CG1-CD2 4.07Å; V52-Y56 WeakPolarHBondContact O-CD2 3.22Å; V52-Y56 PolarHBondContact O-N 3.04Å; Y56-G58 VanDerWaalsContact C-N 3.35Å; Y56-G58 PolarHBondContact O-N 3.04Å; Y56-P59 VanDerWaalsContact O-CD 3.24Å; Y56-P59 WeakPolarHBondContact O-CD 3.33Å; Y56-P59 VanDerWaalsContact O-CG 3.31Å; Y56-P59 WeakPolarHBondContact O-CG 3.24Å; Y56-I60 WeakPolarHBondContact O-CB 3.37Å; Y56-I60 VanDerWaalsContact O-CG1 3.26Å; Y56-I60 WeakPolarHBondContact O-CG1 3.31Å; Y56-I60 PolarHBondContact O-N 3.09Å |
| 57 | R | 95.9 | Very high | 95.4 | Very high | 159 Ų | 159 | 72 Ų | 72 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | -176.5 | -179.2 | 178.3 | -172.4 | -118.5 | 2.5 | 112.6 | F41 V53 S61 | F41-R57 HydrophobicContact CE1-CB 4.14Å; F41-R57 HydrophobicContact CZ-CB 4.08Å; V53-R57 HydrophobicContact CG1-CB 4.19Å; V53-R57 WeakPolarHBondContact O-CB 3.21Å; V53-R57 PolarHBondContact O-N 3.39Å; R57-S61 WeakPolarHBondContact O-CB 3.46Å; R57-S61 PolarHBondContact O-N 3.31Å; R57-S61 PolarHBondContact O-OG 3.41Å |
| 58 | G | 96.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.6 | -62.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y56 S61 | Y56-G58 VanDerWaalsContact C-N 3.35Å; Y56-G58 PolarHBondContact O-N 3.04Å; G58-S61 PolarHBondContact O-N 3.03Å; G58-S61 PolarHBondContact O-OG 3.44Å |
| 59 | P | 95.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 74.9 Ų | 74.9 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.7 | 21.1 | -30.6 | 0 | 0 | 0 | 113.7 | Y11 Y56 S61 K62 | Y11-P59 HydrophobicContact CE2-CB 3.9Å; Y11-P59 HydrophobicContact CE2-CG 4.03Å; Y11-P59 WeakPolarHBondContact OH-CB 3.38Å; Y56-P59 VanDerWaalsContact O-CD 3.24Å; Y56-P59 WeakPolarHBondContact O-CD 3.33Å; Y56-P59 VanDerWaalsContact O-CG 3.31Å; Y56-P59 WeakPolarHBondContact O-CG 3.24Å; P59-S61 VanDerWaalsContact C-N 3.32Å; P59-S61 PolarHBondContact O-N 2.79Å; P59-K62 WeakPolarHBondContact O-CB 3.43Å; P59-K62 PolarHBondContact O-N 2.91Å |
| 60 | I | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | -179.9 | -65.8 | 173.4 | 0 | 0 | 0 | 111.5 | W3 Y11 L14 L38 F41 Y42 Y56 K62 Y63 A64 | W3-I60 HydrophobicContact CH2-CD1 3.61Å; W3-I60 HydrophobicContact CZ2-CD1 4.36Å; W3-I60 HydrophobicContact CZ3-CD1 4.18Å; Y11-I60 HydrophobicContact CD2-CD1 4.22Å; Y11-I60 HydrophobicContact CD2-CG1 3.95Å; Y11-I60 HydrophobicContact CE2-CG1 3.95Å; L14-I60 HydrophobicContact CD1-CD1 4.41Å; L14-I60 HydrophobicContact CD2-CG1 4.38Å; L14-I60 HydrophobicContact CD2-CG2 4.33Å; L38-I60 HydrophobicContact CD2-CG2 4.2Å; F41-I60 HydrophobicContact CB-CD1 4.07Å; F41-I60 HydrophobicContact CB-CG2 4.49Å; F41-I60 HydrophobicContact CD1-CB 4.37Å; F41-I60 HydrophobicContact CD1-CD1 3.87Å; F41-I60 HydrophobicContact CD1-CG2 3.95Å; F41-I60 HydrophobicContact CD2-CD1 3.44Å; F41-I60 VanDerWaalsContact CD2-CD1 3.44Å; F41-I60 HydrophobicContact CE1-CD1 4.15Å; F41-I60 HydrophobicContact CE2-CD1 3.76Å; F41-I60 HydrophobicContact CG-CD1 3.5Å; F41-I60 VanDerWaalsContact CG-CD1 3.5Å; F41-I60 HydrophobicContact CG-CG2 4.32Å; F41-I60 HydrophobicContact CZ-CD1 4.1Å; Y42-I60 HydrophobicContact CE2-CG2 3.72Å; Y56-I60 WeakPolarHBondContact O-CB 3.37Å; Y56-I60 VanDerWaalsContact O-CG1 3.26Å; Y56-I60 WeakPolarHBondContact O-CG1 3.31Å; Y56-I60 PolarHBondContact O-N 3.09Å; I60-K62 PolarHBondContact O-N 3.49Å; I60-K62 VanDerWaalsContact O-N 3.09Å; I60-Y63 PolarHBondContact O-N 2.86Å; I60-A64 PolarHBondContact O-N 3.27Å |
| 61 | S | 96.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 72.8 Ų | 72.8 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -24.8 | 179 | 73.7 | 0 | 0 | 0 | 0 | 114 | Y42 R57 G58 P59 R65 | Y42-S61 WeakPolarHBondContact OH-CA 3.46Å; Y42-S61 PolarHBondContact OH-N 3.43Å; R57-S61 WeakPolarHBondContact O-CB 3.46Å; R57-S61 PolarHBondContact O-N 3.31Å; R57-S61 PolarHBondContact O-OG 3.41Å; G58-S61 PolarHBondContact O-N 3.03Å; G58-S61 PolarHBondContact O-OG 3.44Å; P59-S61 VanDerWaalsContact C-N 3.32Å; P59-S61 PolarHBondContact O-N 2.79Å; S61-R65 WeakPolarHBondContact O-CB 3.3Å; S61-R65 VanDerWaalsContact O-CG 3.25Å; S61-R65 WeakPolarHBondContact O-CG 3.32Å; S61-R65 PolarHBondContact O-N 3.28Å |
| 62 | K | 96.2 | Very high | 94.8 | Very high | 138 Ų | 138 | 76.2 Ų | 76.2 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 175.4 | -61.7 | 179.5 | -178.9 | 177.8 | 0 | 111.3 | P59 I60 R66 | P59-K62 WeakPolarHBondContact O-CB 3.43Å; P59-K62 PolarHBondContact O-N 2.91Å; I60-K62 PolarHBondContact O-N 3.49Å; I60-K62 VanDerWaalsContact O-N 3.09Å; K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.47Å |
| 63 | Y | 96.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 87.4 Ų | 87.4 | 18% | 0.18 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.5 | -44.6 | 177 | -65.7 | -86.1 | 0 | 0 | 0 | 111.2 | T15 D19 L22 I60 R65 R66 F67 | T15-Y63 HydrophobicContact CG2-CD2 4.23Å; T15-Y63 HydrophobicContact CG2-CE2 3.57Å; D19-Y63 HydrophobicContact CB-CE1 3.98Å; L22-Y63 HydrophobicContact CD1-CD1 4.15Å; I60-Y63 PolarHBondContact O-N 2.86Å; Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3.35Å; Y63-R66 PolarHBondContact O-N 2.9Å; Y63-F67 PolarHBondContact O-N 3.28Å |
| 64 | A | 96.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 89.4 Ų | 89.4 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L38 Y42 I60 R66 F67 F68 | L38-A64 HydrophobicContact CD1-CB 4.29Å; L38-A64 HydrophobicContact CD2-CB 4.41Å; Y42-A64 HydrophobicContact CE2-CB 3.81Å; I60-A64 PolarHBondContact O-N 3.27Å; A64-R66 PolarHBondContact O-N 2.9Å; A64-F67 PolarHBondContact O-N 2.89Å; A64-F68 HydrophobicContact CB-CD2 4.4Å; A64-F68 HydrophobicContact CB-CE2 4.23Å; A64-F68 WeakPolarHBondContact O-CD2 3.25Å; A64-F68 PolarHBondContact O-N 2.85Å |
| 65 | R | 96.3 | Very high | 93.7 | Very high | 174 Ų | 174 | 86.1 Ų | 86.1 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 177.3 | -74.8 | 175.1 | -164.8 | 156.8 | 5.2 | 113.1 | S61 Y63 F67 F68 H69 | S61-R65 WeakPolarHBondContact O-CB 3.3Å; S61-R65 VanDerWaalsContact O-CG 3.25Å; S61-R65 WeakPolarHBondContact O-CG 3.32Å; S61-R65 PolarHBondContact O-N 3.28Å; Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3.35Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F68 PolarHBondContact O-N 3.45Å; R65-H69 WeakPolarHBondContact O-CB 3.35Å; R65-H69 PolarHBondContact O-N 3.18Å |
| 66 | R | 94.9 | Very high | 93.6 | Very high | 103 Ų | 103 | 84.3 Ų | 84.3 | 39% | 0.389 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | 175.8 | -73.8 | 174.1 | 67.7 | -168.3 | -0.7 | 110.1 | D19 L22 K62 Y63 A64 H69 H70 | D19-R66 IonicContact OD1-NH1 3.5Å; D19-R66 PolarHBondContact OD1-NH1 3.23Å; L22-R66 HydrophobicContact CD1-CB 4.05Å; K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.47Å; Y63-R66 PolarHBondContact O-N 2.9Å; A64-R66 PolarHBondContact O-N 2.9Å; R66-H69 WeakPolarHBondContact O-CB 3.3Å; R66-H69 PolarHBondContact O-N 3.08Å; R66-H70 PolarHBondContact O-CD2 3.13Å; R66-H70 PolarHBondContact O-N 3.45Å |
| 67 | F | 95.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 88.3 Ų | 88.3 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 178 | 178.3 | -130.7 | 0 | 0 | 0 | 112.6 | L22 E31 L34 E35 L38 Y63 A64 R65 H69 H70 L71 | L22-F67 HydrophobicContact CD2-CB 4.45Å; E31-F67 HydrophobicContact CB-CE2 4.04Å; E31-F67 HydrophobicContact CB-CZ 4.21Å; E31-F67 HydrophobicContact CG-CE2 4.07Å; E31-F67 WeakPolarHBondContact O-CZ 3.4Å; L34-F67 HydrophobicContact CB-CD1 4.38Å; L34-F67 HydrophobicContact CB-CD2 3.91Å; L34-F67 HydrophobicContact CB-CE1 4.26Å; L34-F67 HydrophobicContact CB-CE2 3.8Å; L34-F67 HydrophobicContact CB-CG 4.2Å; L34-F67 HydrophobicContact CB-CZ 3.96Å; L34-F67 HydrophobicContact CD1-CD2 3.58Å; L34-F67 HydrophobicContact CD1-CE2 3.88Å; L34-F67 HydrophobicContact CD1-CG 4.34Å; L34-F67 HydrophobicContact CG-CD2 4.35Å; L34-F67 HydrophobicContact CG-CE2 4.5Å; E35-F67 HydrophobicContact CB-CE1 4.11Å; E35-F67 HydrophobicContact CB-CZ 4.33Å; L38-F67 HydrophobicContact CD1-CB 4.14Å; L38-F67 HydrophobicContact CD1-CD1 3.79Å; L38-F67 HydrophobicContact CD1-CG 4.29Å; Y63-F67 PolarHBondContact O-N 3.28Å; A64-F67 PolarHBondContact O-N 2.89Å; R65-F67 VanDerWaalsContact C-N 3.33Å; F67-H69 VanDerWaalsContact C-N 3.27Å; F67-H69 PolarHBondContact O-N 3.26Å; F67-H70 WeakPolarHBondContact O-CA 3.34Å; F67-H70 WeakPolarHBondContact O-CB 3.35Å; F67-H70 PolarHBondContact O-N 3.09Å; F67-L71 HydrophobicContact CD1-CD1 4.22Å; F67-L71 HydrophobicContact CD2-CG 4.29Å; F67-L71 HydrophobicContact CE1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CG 4.44Å; F67-L71 HydrophobicContact CE2-CD1 4.03Å; F67-L71 HydrophobicContact CE2-CD2 3.89Å; F67-L71 HydrophobicContact CE2-CG 3.87Å; F67-L71 HydrophobicContact CZ-CD1 3.61Å; F67-L71 HydrophobicContact CZ-CD2 4.01Å; F67-L71 HydrophobicContact CZ-CG 3.96Å; F67-L71 PolarHBondContact O-N 3.47Å; F67-L71 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 94 | Very high | 93.3 | Very high | 122 Ų | 122 | 83.9 Ų | 83.9 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 176.2 | -74.3 | -61.3 | 0 | 0 | 0 | 113.1 | A64 R65 H70 L71 L72 | A64-F68 HydrophobicContact CB-CD2 4.4Å; A64-F68 HydrophobicContact CB-CE2 4.23Å; A64-F68 WeakPolarHBondContact O-CD2 3.25Å; A64-F68 PolarHBondContact O-N 2.85Å; R65-F68 PolarHBondContact O-N 3.45Å; F68-H70 PolarHBondContact O-N 3.23Å; F68-L71 HydrophobicContact CD1-CD1 4.28Å; F68-L71 PolarHBondContact O-N 2.9Å; F68-L72 WeakPolarHBondContact O-CB 3.43Å; F68-L72 VanDerWaalsContact O-CG 3.25Å; F68-L72 WeakPolarHBondContact O-CG 3.25Å; F68-L72 PolarHBondContact O-N 2.84Å; F68-L72 VanDerWaalsContact O-N 3.08Å |
| 69 | H | 94.1 | Very high | 93 | Very high | 102 Ų | 102 | 86.7 Ų | 86.7 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 174.9 | -171.8 | 74.3 | 0 | 0 | 0 | 112.4 | R65 R66 F67 R73 | R65-H69 WeakPolarHBondContact O-CB 3.35Å; R65-H69 PolarHBondContact O-N 3.18Å; R66-H69 WeakPolarHBondContact O-CB 3.3Å; R66-H69 PolarHBondContact O-N 3.08Å; F67-H69 VanDerWaalsContact C-N 3.27Å; F67-H69 PolarHBondContact O-N 3.26Å; H69-R73 PolarHBondContact NE2-NE 3.28Å; H69-R73 PolarHBondContact NE2-NH2 3.46Å |
| 70 | H | 89.8 | Confident | 92.8 | Very high | 76 Ų | 76 | 90.1 Ų | 90.1 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.4 | -42.1 | 173.3 | -69 | -70.1 | 0 | 0 | 0 | 112.1 | L26 R66 F67 F68 L72 R73 | L26-H70 HydrophobicContact CD1-CB 3.57Å; R66-H70 PolarHBondContact O-CD2 3.13Å; R66-H70 PolarHBondContact O-N 3.45Å; F67-H70 WeakPolarHBondContact O-CA 3.34Å; F67-H70 WeakPolarHBondContact O-CB 3.35Å; F67-H70 PolarHBondContact O-N 3.09Å; F68-H70 PolarHBondContact O-N 3.23Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 3.5Å; H70-R73 PolarHBondContact O-N 3.34Å |
| 71 | L | 90 | Very high | 92.5 | Very high | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.393 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -24.7 | 179.1 | -67.1 | 179.1 | 0 | 0 | 0 | 114.1 | E31 F67 F68 | E31-L71 HydrophobicContact CB-CD2 4.44Å; E31-L71 HydrophobicContact CG-CD2 4.06Å; F67-L71 HydrophobicContact CD1-CD1 4.22Å; F67-L71 HydrophobicContact CD2-CG 4.29Å; F67-L71 HydrophobicContact CE1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CG 4.44Å; F67-L71 HydrophobicContact CE2-CD1 4.03Å; F67-L71 HydrophobicContact CE2-CD2 3.89Å; F67-L71 HydrophobicContact CE2-CG 3.87Å; F67-L71 HydrophobicContact CZ-CD1 3.61Å; F67-L71 HydrophobicContact CZ-CD2 4.01Å; F67-L71 HydrophobicContact CZ-CG 3.96Å; F67-L71 PolarHBondContact O-N 3.47Å; F67-L71 VanDerWaalsContact O-N 3.08Å; F68-L71 HydrophobicContact CD1-CD1 4.28Å; F68-L71 PolarHBondContact O-N 2.9Å |
| 72 | L | 88.7 | Confident | 92.2 | Very high | 150 Ų | 150 | 103.3 Ų | 103.3 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.5 | -178.9 | -68.2 | 172.9 | 0 | 0 | 0 | 113.6 | F68 H70 | F68-L72 WeakPolarHBondContact O-CB 3.43Å; F68-L72 VanDerWaalsContact O-CG 3.25Å; F68-L72 WeakPolarHBondContact O-CG 3.25Å; F68-L72 PolarHBondContact O-N 2.84Å; F68-L72 VanDerWaalsContact O-N 3.08Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 3.5Å |
| 73 | R | 75.4 | Confident | 91.9 | Very high | 242 Ų | 242 | 100.2 Ų | 100.2 | 91% | 0.913 | 43% | 0.432 | S | S | * | . | trans | -93.8 | 0 | 174.4 | -82.1 | -179.1 | 174.6 | -144.9 | -2.2 | 110.6 | H69 H70 | H69-R73 PolarHBondContact NE2-NE 3.28Å; H69-R73 PolarHBondContact NE2-NH2 3.46Å; H70-R73 PolarHBondContact O-N 3.34Å |
Retrieved 73 of 73 residues in 44.4 ms
(Link to these results)