| 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 | 57.5 | Low | 87.5 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | 0 | 121 | 0 | -79.7 | -177 | -92.5 | 0 | 0 | 106.9 | E3 Y6 F40 V73 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 HydrophobicContact CB-CG 4.23Å; M1-Y6 HydrophobicContact CB-CD1 4.12Å; M1-Y6 HydrophobicContact CB-CG 4.08Å; M1-Y6 HydrophobicContact CE-CD2 4.23Å; M1-Y6 HydrophobicContact CE-CE2 4.19Å; M1-F40 HydrophobicContact CE-CD1 3.8Å; M1-F40 HydrophobicContact CE-CD2 4.35Å; M1-F40 HydrophobicContact CE-CE1 3.21Å; M1-F40 HydrophobicContact CE-CE2 3.82Å; M1-F40 HydrophobicContact CE-CG 4.33Å; M1-F40 HydrophobicContact CE-CZ 3.21Å; M1-V73 HydrophobicContact CE-CB 4.17Å; M1-V73 HydrophobicContact CE-CG1 4.44Å; M1-V73 HydrophobicContact CE-CG2 4.31Å; M1-V73 HydrophobicContact SD-CB 3.98Å; M1-V73 HydrophobicContact SD-CG1 4.18Å | |||
| 2 | Q | 71.4 | Confident | 88 | Confident | 209 Ų | 209 | 62.7 Ų | 62.7 | 98% | 0.977 | 29% | 0.286 | S | S | * | . | trans | -95.9 | 13.2 | 175.8 | -66.2 | -179.7 | 13.9 | 0 | 0 | 111.7 | ||||
| 3 | E | 85.5 | Confident | 88.4 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | trans | -68.7 | 140 | -174.1 | -54.8 | -72.3 | -175.8 | 0 | 0 | 111.3 | M1 Y5 Y6 S74 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 HydrophobicContact CB-CG 4.23Å; E3-Y5 HydrophobicContact CB-CD1 4Å; E3-Y5 HydrophobicContact CB-CD2 4.12Å; E3-Y5 HydrophobicContact CB-CE1 3.6Å; E3-Y5 HydrophobicContact CB-CE2 3.72Å; E3-Y5 HydrophobicContact CB-CG 4.25Å; E3-Y5 VanDerWaalsContact CB-CZ 3.45Å; E3-Y5 HydrophobicContact CG-CE1 4.01Å; E3-Y5 HydrophobicContact CG-CE2 4.12Å; E3-Y5 WeakPolarHBondContact CG-OH 3.45Å; E3-Y5 PolarHBondContact O-N 2.71Å; E3-Y6 PolarHBondContact O-N 3.23Å; E3-S74 PolarHBondContact OE1-OG 3.36Å | ||
| 4 | E | 89.4 | Confident | 88.8 | Confident | 154 Ų | 154 | 59.6 Ų | 59.6 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -36.4 | -176.5 | -63.7 | -171.2 | 151.7 | 0 | 0 | 112.4 | Y6 R101 | E4-Y6 VanDerWaalsContact C-N 3.27Å; E4-Y6 PolarHBondContact O-N 3.02Å; E4-R101 PolarHBondContact O-NH2 2.83Å |
| 5 | Y | 93.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8 | 178.1 | 58.6 | -105.8 | 0 | 0 | 0 | 114.2 | E3 Y7 F25 L26 V27 S74 I77 P98 | E3-Y5 HydrophobicContact CB-CD1 4Å; E3-Y5 HydrophobicContact CB-CD2 4.12Å; E3-Y5 HydrophobicContact CB-CE1 3.6Å; E3-Y5 HydrophobicContact CB-CE2 3.72Å; E3-Y5 HydrophobicContact CB-CG 4.25Å; E3-Y5 VanDerWaalsContact CB-CZ 3.45Å; E3-Y5 HydrophobicContact CG-CE1 4.01Å; E3-Y5 HydrophobicContact CG-CE2 4.12Å; E3-Y5 WeakPolarHBondContact CG-OH 3.45Å; E3-Y5 PolarHBondContact O-N 2.71Å; Y5-Y7 WeakPolarHBondContact O-CD2 3.45Å; Y5-F25 HydrophobicContact CD1-CE2 4.4Å; Y5-F25 HydrophobicContact CD1-CZ 4.38Å; Y5-F25 HydrophobicContact CD2-CE2 4.45Å; Y5-F25 AromaticContact CG-CE2 4Å; Y5-F25 HydrophobicContact CG-CE2 4Å; Y5-F25 HydrophobicContact CG-CZ 4.38Å; Y5-L26 CarbonylContact O-C 3.53Å; Y5-L26 WeakPolarHBondContact O-CA 3.26Å; Y5-V27 HydrophobicContact CD2-CB 3.89Å; Y5-V27 HydrophobicContact CD2-CG2 3.56Å; Y5-V27 HydrophobicContact CE2-CB 4.3Å; Y5-V27 HydrophobicContact CE2-CG2 3.87Å; Y5-V27 PolarHBondContact O-N 3.05Å; Y5-S74 VanDerWaalsContact OH-CA 3.31Å; Y5-S74 WeakPolarHBondContact OH-CA 3.43Å; Y5-S74 PolarHBondContact OH-OG 2.92Å; Y5-I77 HydrophobicContact CD1-CG2 4.25Å; Y5-I77 HydrophobicContact CE1-CG2 3.89Å; Y5-I77 HydrophobicContact CE2-CG1 4.15Å; Y5-I77 HydrophobicContact CE2-CG2 4.48Å; Y5-P98 HydrophobicContact CD1-CG 4.39Å |
| 6 | Y | 94.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 115.5 | -176.5 | -179.5 | -107.7 | 0 | 0 | 0 | 112.6 | M1 E3 E4 V27 F40 R101 | M1-Y6 HydrophobicContact CB-CD1 4.12Å; M1-Y6 HydrophobicContact CB-CG 4.08Å; M1-Y6 HydrophobicContact CE-CD2 4.23Å; M1-Y6 HydrophobicContact CE-CE2 4.19Å; E3-Y6 PolarHBondContact O-N 3.23Å; E4-Y6 VanDerWaalsContact C-N 3.27Å; E4-Y6 PolarHBondContact O-N 3.02Å; Y6-V27 CarbonylContact C-O 3.51Å; Y6-V27 WeakPolarHBondContact CA-O 3.5Å; Y6-V27 HydrophobicContact CD2-CB 4.4Å; Y6-V27 HydrophobicContact CD2-CG1 4.18Å; Y6-F40 AromaticContact CE2-CD1 3.99Å; Y6-F40 HydrophobicContact CE2-CD1 3.99Å; Y6-F40 AromaticContact CE2-CE1 3.75Å; Y6-F40 HydrophobicContact CE2-CE1 3.75Å; Y6-R101 PolarHBondContact O-NH2 3.33Å |
| 7 | Y | 95 | Very high | 89.9 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | trans | -109.4 | 9.2 | -174 | -79.1 | -116.6 | 0 | 0 | 0 | 113.5 | Y5 H9 L10 L18 L26 V27 V99 K100 R101 I105 | Y5-Y7 WeakPolarHBondContact O-CD2 3.45Å; Y7-H9 PolarHBondContact O-N 3.06Å; Y7-L10 HydrophobicContact CD1-CD2 3.81Å; Y7-L10 HydrophobicContact CG-CD2 4.26Å; Y7-L10 PolarHBondContact O-N 3.13Å; Y7-L18 HydrophobicContact CD1-CD1 4.12Å; Y7-L18 HydrophobicContact CE1-CD1 3.7Å; Y7-L26 HydrophobicContact CD1-CD2 4.11Å; Y7-L26 HydrophobicContact CD2-CB 3.74Å; Y7-L26 HydrophobicContact CD2-CD2 4.08Å; Y7-L26 HydrophobicContact CD2-CG 4.41Å; Y7-L26 HydrophobicContact CE1-CD2 4.32Å; Y7-L26 HydrophobicContact CE2-CB 3.99Å; Y7-L26 HydrophobicContact CE2-CD2 4.34Å; Y7-L26 HydrophobicContact CG-CB 4.37Å; Y7-L26 HydrophobicContact CG-CD2 3.95Å; Y7-V27 PolarHBondContact N-O 3.34Å; Y7-V99 HydrophobicContact CE2-CG1 3.94Å; Y7-V99 WeakPolarHBondContact OH-CG1 3.46Å; Y7-V99 PolarHBondContact OH-O 3.27Å; Y7-K100 PolarHBondContact OH-O 3.27Å; Y7-R101 HydrophobicContact CE1-CG 4.44Å; Y7-R101 WeakPolarHBondContact OH-CA 3.43Å; Y7-R101 PolarHBondContact OH-N 3.31Å; Y7-R101 VanDerWaalsContact OH-N 3.12Å; Y7-I105 HydrophobicContact CD1-CD1 3.45Å; Y7-I105 VanDerWaalsContact CD1-CD1 3.45Å; Y7-I105 HydrophobicContact CE1-CD1 3.57Å | ||
| 8 | G | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -124.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L10 R28 R29 L182 | G8-L10 PolarHBondContact O-N 3.31Å; G8-R28 CarbonylContact O-C 3.53Å; G8-R28 WeakPolarHBondContact O-CA 3.23Å; G8-R28 WeakPolarHBondContact O-CB 3.22Å; G8-R29 PolarHBondContact O-N 3.42Å; G8-L182 CarbonylContact C-O 3.57Å; G8-L182 VanDerWaalsContact CA-O 3.3Å; G8-L182 WeakPolarHBondContact CA-O 3.36Å |
| 9 | H | 93.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 18.5 | -171.7 | -65.9 | -95.5 | 0 | 0 | 0 | 114.6 | Y7 P11 Y160 L182 E185 V187 | Y7-H9 PolarHBondContact O-N 3.06Å; H9-P11 WeakPolarHBondContact O-CD 3.47Å; H9-Y160 PolarHBondContact O-OH 2.66Å; H9-Y160 VanDerWaalsContact O-OH 3.09Å; H9-L182 PolarHBondContact CD2-O 3.07Å; H9-L182 VanDerWaalsContact CD2-O 3.3Å; H9-L182 PolarHBondContact N-O 2.76Å; H9-E185 VanDerWaalsContact CE1-CG 3.49Å; H9-E185 WeakPolarHBondContact CE1-CG 3.39Å; H9-E185 IonicContact CE1-OE1 2.81Å; H9-E185 PolarHBondContact CE1-OE1 3.11Å; H9-E185 IonicContact ND1-OE1 2.75Å; H9-E185 PolarHBondContact ND1-OE1 2.96Å; H9-E185 IonicContact NE2-OE1 3.86Å; H9-V187 HydrophobicContact CB-CG2 3.66Å |
| 10 | L | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | -53.9 | 124.2 | 178.2 | -173.1 | 73.1 | 0 | 0 | 0 | 111.9 | Y7 G8 D14 T15 L18 L26 R28 W104 I105 L182 | Y7-L10 HydrophobicContact CD1-CD2 3.81Å; Y7-L10 HydrophobicContact CG-CD2 4.26Å; Y7-L10 PolarHBondContact O-N 3.13Å; G8-L10 PolarHBondContact O-N 3.31Å; L10-D14 HydrophobicContact CD1-CB 3.63Å; L10-D14 HydrophobicContact CG-CB 4.13Å; L10-T15 VanDerWaalsContact CD2-OG1 3.31Å; L10-T15 WeakPolarHBondContact CD2-OG1 3.31Å; L10-L18 HydrophobicContact CD2-CD1 3.73Å; L10-L26 HydrophobicContact CD2-CD2 3.76Å; L10-R28 VanDerWaalsContact O-CD 3.22Å; L10-R28 WeakPolarHBondContact O-CD 3.41Å; L10-W104 HydrophobicContact CD1-CH2 3.64Å; L10-W104 HydrophobicContact CD1-CZ2 4.39Å; L10-I105 HydrophobicContact CD1-CD1 4.28Å; L10-L182 HydrophobicContact CB-CD1 4.21Å; L10-L182 HydrophobicContact CD1-CD1 3.65Å | ||
| 11 | P | 93.2 | Very high | 91 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | trans | -66.7 | 158.1 | 177.5 | -22 | 33.5 | 0 | 0 | 0 | 113.6 | H9 D14 T15 Y160 | H9-P11 WeakPolarHBondContact O-CD 3.47Å; P11-D14 WeakPolarHBondContact CB-OD2 3.42Å; P11-D14 WeakPolarHBondContact CD-OD2 3.33Å; P11-D14 VanDerWaalsContact CG-OD2 3.32Å; P11-D14 WeakPolarHBondContact CG-OD2 3.49Å; P11-D14 PolarHBondContact O-N 3.07Å; P11-T15 WeakPolarHBondContact O-CB 3.3Å; P11-T15 PolarHBondContact O-N 3.39Å; P11-T15 PolarHBondContact O-OG1 2.95Å; P11-Y160 HydrophobicContact CG-CD1 3.43Å; P11-Y160 VanDerWaalsContact CG-CD1 3.43Å; P11-Y160 HydrophobicContact CG-CD2 3.54Å; P11-Y160 HydrophobicContact CG-CE1 3.54Å; P11-Y160 HydrophobicContact CG-CE2 3.66Å; P11-Y160 HydrophobicContact CG-CG 3.44Å; P11-Y160 VanDerWaalsContact CG-CG 3.44Å | ||
| 12 | R | 93.6 | Very high | 92.8 | Very high | 140 Ų | 140 | 59.4 Ų | 59.4 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 176 | -73 | -176.9 | -173 | 179.9 | 1.3 | 113.1 | D14 T15 E16 | R12-D14 VanDerWaalsContact C-N 3.32Å; R12-D14 PolarHBondContact O-N 3.36Å; R12-T15 WeakPolarHBondContact O-CA 3.32Å; R12-T15 VanDerWaalsContact O-CB 3.26Å; R12-T15 WeakPolarHBondContact O-CB 3.37Å; R12-T15 PolarHBondContact O-N 2.78Å; R12-E16 WeakPolarHBondContact O-CG 3.4Å; R12-E16 PolarHBondContact O-N 3.48Å |
| 13 | P | 93 | Very high | 94 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | -178.7 | -24.7 | 35.3 | 0 | 0 | 0 | 113.5 | T15 V17 | P13-T15 VanDerWaalsContact C-N 3.33Å; P13-V17 WeakPolarHBondContact O-CG2 3.38Å; P13-V17 PolarHBondContact O-N 3.18Å |
| 14 | D | 94 | Very high | 94.6 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.9 | -33 | 176.5 | -55.5 | -75.3 | 0 | 0 | 0 | 111.7 | L10 P11 R12 V17 L18 R164 | L10-D14 HydrophobicContact CD1-CB 3.63Å; L10-D14 HydrophobicContact CG-CB 4.13Å; P11-D14 WeakPolarHBondContact CB-OD2 3.42Å; P11-D14 WeakPolarHBondContact CD-OD2 3.33Å; P11-D14 VanDerWaalsContact CG-OD2 3.32Å; P11-D14 WeakPolarHBondContact CG-OD2 3.49Å; P11-D14 PolarHBondContact O-N 3.07Å; R12-D14 VanDerWaalsContact C-N 3.32Å; R12-D14 PolarHBondContact O-N 3.36Å; D14-V17 PolarHBondContact O-N 3.34Å; D14-L18 WeakPolarHBondContact O-CG 3.26Å; D14-L18 PolarHBondContact O-N 2.78Å; D14-R164 IonicContact OD1-CZ 3.25Å; D14-R164 IonicContact OD1-NE 2.65Å; D14-R164 PolarHBondContact OD1-NE 2.98Å; D14-R164 IonicContact OD1-NH2 3.72Å; D14-R164 IonicContact OD2-CZ 3.4Å; D14-R164 IonicContact OD2-NE 3.94Å; D14-R164 PolarHBondContact OD2-NE 3.18Å; D14-R164 IonicContact OD2-NH2 3.34Å; D14-R164 PolarHBondContact OD2-NH2 2.97Å |
| 15 | T | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L10 P11 R12 P13 V17 L18 L19 L26 R28 | L10-T15 VanDerWaalsContact CD2-OG1 3.31Å; L10-T15 WeakPolarHBondContact CD2-OG1 3.31Å; P11-T15 WeakPolarHBondContact O-CB 3.3Å; P11-T15 PolarHBondContact O-N 3.39Å; P11-T15 PolarHBondContact O-OG1 2.95Å; R12-T15 WeakPolarHBondContact O-CA 3.32Å; R12-T15 VanDerWaalsContact O-CB 3.26Å; R12-T15 WeakPolarHBondContact O-CB 3.37Å; R12-T15 PolarHBondContact O-N 2.78Å; P13-T15 VanDerWaalsContact C-N 3.33Å; T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 2.87Å; T15-L18 PolarHBondContact O-N 3.31Å; T15-L18 VanDerWaalsContact O-N 3.11Å; T15-L19 HydrophobicContact CG2-CD1 3.9Å; T15-L19 HydrophobicContact CG2-CG 4.45Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.4Å; T15-L26 HydrophobicContact CG2-CD1 3.83Å; T15-L26 HydrophobicContact CG2-CD2 3.84Å; T15-L26 HydrophobicContact CG2-CG 3.94Å; T15-R28 WeakPolarHBondContact OG1-CD 3.36Å |
| 16 | E | 95.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -34.9 | -178.4 | -70.2 | 173.1 | -168.2 | 0 | 0 | 112.6 | R12 L18 C50 H52 | R12-E16 WeakPolarHBondContact O-CG 3.4Å; R12-E16 PolarHBondContact O-N 3.48Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-C50 HydrophobicContact CG-CB 3.84Å; E16-H52 IonicContact OE1-NE2 2.93Å; E16-H52 PolarHBondContact OE1-NE2 2.71Å |
| 17 | V | 93.8 | Very high | 95.3 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 62% | 0.624 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72.7 | -25.6 | 177 | 177 | 0 | 0 | 0 | 0 | 112.4 | P13 D14 T15 L20 | P13-V17 WeakPolarHBondContact O-CG2 3.38Å; P13-V17 PolarHBondContact O-N 3.18Å; D14-V17 PolarHBondContact O-N 3.34Å; T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 2.87Å; V17-L20 WeakPolarHBondContact O-CD2 3.45Å |
| 18 | L | 95.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -80 | -30.7 | 178.3 | -68.3 | 178.7 | 0 | 0 | 0 | 113.1 | Y7 L10 D14 T15 E16 L20 L26 V99 A102 I105 | Y7-L18 HydrophobicContact CD1-CD1 4.12Å; Y7-L18 HydrophobicContact CE1-CD1 3.7Å; L10-L18 HydrophobicContact CD2-CD1 3.73Å; D14-L18 WeakPolarHBondContact O-CG 3.26Å; D14-L18 PolarHBondContact O-N 2.78Å; T15-L18 PolarHBondContact O-N 3.31Å; T15-L18 VanDerWaalsContact O-N 3.11Å; E16-L18 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-L26 HydrophobicContact CD1-CD2 4.38Å; L18-V99 HydrophobicContact CB-CG2 4.28Å; L18-V99 WeakPolarHBondContact O-CG2 3.47Å; L18-A102 HydrophobicContact CD2-CB 3.81Å; L18-I105 HydrophobicContact CD1-CD1 4.36Å |
| 19 | L | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -88.2 | 96.3 | -174.8 | -62.1 | 176.3 | 0 | 0 | 0 | 110.4 | T15 E24 R45 V99 | T15-L19 HydrophobicContact CG2-CD1 3.9Å; T15-L19 HydrophobicContact CG2-CG 4.45Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.4Å; L19-E24 HydrophobicContact CD2-CB 3.99Å; L19-R45 HydrophobicContact CB-CB 4.1Å; L19-R45 WeakPolarHBondContact O-CD 3.46Å; L19-V99 HydrophobicContact CD2-CB 3.83Å; L19-V99 HydrophobicContact CD2-CG1 3.94Å; L19-V99 HydrophobicContact CD2-CG2 4.19Å | ||
| 20 | L | 94.3 | Very high | 94.9 | Very high | 129 Ų | 129 | 42.9 Ų | 42.9 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | trans | -96.6 | -40 | -169.5 | -61.2 | 179.1 | 0 | 0 | 0 | 112.7 | V17 L18 E24 | V17-L20 WeakPolarHBondContact O-CD2 3.45Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-E24 PolarHBondContact N-OE2 3.29Å | ||
| 21 | T | 96.3 | Very high | 94 | Very high | 65 Ų | 65 | 50 Ų | 50 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -115.1 | 145.4 | -174.4 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | G23 E24 R45 K97 | T21-G23 PolarHBondContact O-N 2.96Å; T21-E24 PolarHBondContact N-OE2 3.49Å; T21-E24 VanDerWaalsContact O-CB 3.27Å; T21-E24 WeakPolarHBondContact O-CB 3.39Å; T21-E24 PolarHBondContact O-N 2.81Å; T21-E24 WeakPolarHBondContact OG1-CG 3.15Å; T21-E24 PolarHBondContact OG1-OE1 3.16Å; T21-E24 PolarHBondContact OG1-OE2 2.88Å; T21-R45 WeakPolarHBondContact O-CB 3.34Å; T21-K97 PolarHBondContact OG1-NZ 2.92Å |
| 22 | D | 96.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 135.4 | 179.5 | -78 | 2.5 | 0 | 0 | 0 | 111.3 | E24 R45 T47 G48 | D22-E24 VanDerWaalsContact C-N 3.32Å; D22-R45 CarbonylContact C-O 3.5Å; D22-R45 WeakPolarHBondContact CA-O 3.09Å; D22-R45 WeakPolarHBondContact OD1-CG 3.37Å; D22-T47 PolarHBondContact OD1-N 2.78Å; D22-T47 VanDerWaalsContact OD2-CA 3.31Å; D22-T47 WeakPolarHBondContact OD2-CA 3.46Å; D22-T47 PolarHBondContact OD2-N 2.95Å; D22-G48 PolarHBondContact OD1-N 3.46Å; D22-G48 VanDerWaalsContact OD1-N 3.14Å |
| 23 | G | 96.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -8.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T21 R45 I94 A96 K97 | T21-G23 PolarHBondContact O-N 2.96Å; G23-R45 PolarHBondContact N-O 2.76Å; G23-I94 WeakPolarHBondContact CA-O 3.22Å; G23-A96 PolarHBondContact O-N 2.98Å; G23-K97 PolarHBondContact O-N 2.92Å |
| 24 | E | 97.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.9 | 166.5 | -77.6 | 176 | 170.4 | 0 | 0 | 110.4 | L19 L20 T21 D22 V44 R45 K97 | L19-E24 HydrophobicContact CD2-CB 3.99Å; L20-E24 PolarHBondContact N-OE2 3.29Å; T21-E24 PolarHBondContact N-OE2 3.49Å; T21-E24 VanDerWaalsContact O-CB 3.27Å; T21-E24 WeakPolarHBondContact O-CB 3.39Å; T21-E24 PolarHBondContact O-N 2.81Å; T21-E24 WeakPolarHBondContact OG1-CG 3.15Å; T21-E24 PolarHBondContact OG1-OE1 3.16Å; T21-E24 PolarHBondContact OG1-OE2 2.88Å; D22-E24 VanDerWaalsContact C-N 3.32Å; E24-V44 WeakPolarHBondContact O-CA 3.32Å; E24-V44 WeakPolarHBondContact O-CG2 3.35Å; E24-R45 PolarHBondContact O-N 2.89Å; E24-K97 WeakPolarHBondContact CA-O 3.25Å; E24-K97 HydrophobicContact CG-CD 4.35Å; E24-K97 HydrophobicContact CG-CG 4.07Å; E24-K97 WeakPolarHBondContact OE1-CE 3.45Å; E24-K97 IonicContact OE1-NZ 3.02Å; E24-K97 PolarHBondContact OE1-NZ 3.04Å |
| 25 | F | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.1 | 178.6 | 79.6 | -80.8 | 0 | 0 | 0 | 113 | Y5 I42 S43 V44 I77 M81 I95 K97 P98 V99 | Y5-F25 HydrophobicContact CD1-CE2 4.4Å; Y5-F25 HydrophobicContact CD1-CZ 4.38Å; Y5-F25 HydrophobicContact CD2-CE2 4.45Å; Y5-F25 AromaticContact CG-CE2 4Å; Y5-F25 HydrophobicContact CG-CE2 4Å; Y5-F25 HydrophobicContact CG-CZ 4.38Å; F25-I42 HydrophobicContact CD2-CG2 4.36Å; F25-S43 CarbonylContact C-O 3.47Å; F25-S43 WeakPolarHBondContact CA-O 3.43Å; F25-S43 WeakPolarHBondContact CB-O 3.49Å; F25-V44 HydrophobicContact CB-CB 4.03Å; F25-V44 HydrophobicContact CB-CG2 4.13Å; F25-I77 HydrophobicContact CE2-CD1 4.1Å; F25-I77 HydrophobicContact CE2-CG2 3.68Å; F25-I77 HydrophobicContact CZ-CG2 3.67Å; F25-M81 HydrophobicContact CE1-CE 4.31Å; F25-M81 HydrophobicContact CE1-CG 4.07Å; F25-M81 HydrophobicContact CE1-SD 3.83Å; F25-M81 HydrophobicContact CZ-CG 4.05Å; F25-M81 HydrophobicContact CZ-SD 3.55Å; F25-M81 VanDerWaalsContact CZ-SD 3.55Å; F25-I95 HydrophobicContact CB-CB 4.33Å; F25-I95 HydrophobicContact CB-CG2 3.68Å; F25-I95 HydrophobicContact CD1-CB 3.59Å; F25-I95 HydrophobicContact CD1-CD1 4.46Å; F25-I95 HydrophobicContact CD1-CG2 3.89Å; F25-I95 HydrophobicContact CD2-CG2 4.26Å; F25-I95 HydrophobicContact CE1-CB 4.02Å; F25-I95 HydrophobicContact CE1-CD1 4.22Å; F25-I95 HydrophobicContact CE2-CD1 4.29Å; F25-I95 HydrophobicContact CG-CB 3.93Å; F25-I95 HydrophobicContact CG-CG2 3.67Å; F25-I95 HydrophobicContact CZ-CD1 4.15Å; F25-K97 VanDerWaalsContact CD1-C 3.45Å; F25-K97 WeakPolarHBondContact CD1-O 3.46Å; F25-K97 PolarHBondContact N-O 3.48Å; F25-K97 VanDerWaalsContact N-O 3.14Å; F25-P98 HydrophobicContact CE1-CG 4.14Å; F25-P98 HydrophobicContact CZ-CG 4.09Å; F25-P98 WeakPolarHBondContact O-CA 3.34Å; F25-V99 PolarHBondContact O-N 3.35Å |
| 26 | L | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 160.8 | 164.4 | 64 | 78.1 | 0 | 0 | 0 | 110.6 | Y5 Y7 L10 T15 L18 R28 S43 V99 | Y5-L26 CarbonylContact O-C 3.53Å; Y5-L26 WeakPolarHBondContact O-CA 3.26Å; Y7-L26 HydrophobicContact CD1-CD2 4.11Å; Y7-L26 HydrophobicContact CD2-CB 3.74Å; Y7-L26 HydrophobicContact CD2-CD2 4.08Å; Y7-L26 HydrophobicContact CD2-CG 4.41Å; Y7-L26 HydrophobicContact CE1-CD2 4.32Å; Y7-L26 HydrophobicContact CE2-CB 3.99Å; Y7-L26 HydrophobicContact CE2-CD2 4.34Å; Y7-L26 HydrophobicContact CG-CB 4.37Å; Y7-L26 HydrophobicContact CG-CD2 3.95Å; L10-L26 HydrophobicContact CD2-CD2 3.76Å; T15-L26 HydrophobicContact CG2-CD1 3.83Å; T15-L26 HydrophobicContact CG2-CD2 3.84Å; T15-L26 HydrophobicContact CG2-CG 3.94Å; L18-L26 HydrophobicContact CD1-CD2 4.38Å; L26-R28 HydrophobicContact CD1-CB 3.87Å; L26-R28 HydrophobicContact CD1-CG 3.83Å; L26-S43 PolarHBondContact N-O 2.8Å; L26-S43 PolarHBondContact O-N 3.26Å; L26-V99 HydrophobicContact CB-CG1 3.76Å; L26-V99 HydrophobicContact CD2-CG1 3.84Å; L26-V99 HydrophobicContact CG-CG1 4.3Å |
| 27 | V | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.6 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | Y5 Y6 Y7 F40 C41 I42 V73 I77 | Y5-V27 HydrophobicContact CD2-CB 3.89Å; Y5-V27 HydrophobicContact CD2-CG2 3.56Å; Y5-V27 HydrophobicContact CE2-CB 4.3Å; Y5-V27 HydrophobicContact CE2-CG2 3.87Å; Y5-V27 PolarHBondContact O-N 3.05Å; Y6-V27 CarbonylContact C-O 3.51Å; Y6-V27 WeakPolarHBondContact CA-O 3.5Å; Y6-V27 HydrophobicContact CD2-CB 4.4Å; Y6-V27 HydrophobicContact CD2-CG1 4.18Å; Y7-V27 PolarHBondContact N-O 3.34Å; V27-F40 HydrophobicContact CG1-CB 4.28Å; V27-F40 HydrophobicContact CG1-CD1 4.42Å; V27-C41 WeakPolarHBondContact CA-O 3.49Å; V27-I42 HydrophobicContact CG2-CG1 4.39Å; V27-V73 HydrophobicContact CG1-CG1 4.22Å; V27-I77 HydrophobicContact CG2-CD1 3.74Å; V27-I77 HydrophobicContact CG2-CG1 4.01Å |
| 28 | R | 95.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.038 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 167.2 | 177.1 | 56.5 | 173 | -177.2 | 71.5 | 10.8 | 110.2 | G8 L10 T15 L26 F40 C41 S43 H52 | G8-R28 CarbonylContact O-C 3.53Å; G8-R28 WeakPolarHBondContact O-CA 3.23Å; G8-R28 WeakPolarHBondContact O-CB 3.22Å; L10-R28 VanDerWaalsContact O-CD 3.22Å; L10-R28 WeakPolarHBondContact O-CD 3.41Å; T15-R28 WeakPolarHBondContact OG1-CD 3.36Å; L26-R28 HydrophobicContact CD1-CB 3.87Å; L26-R28 HydrophobicContact CD1-CG 3.83Å; R28-F40 WeakPolarHBondContact O-CA 3.42Å; R28-C41 PolarHBondContact N-O 2.97Å; R28-C41 PolarHBondContact NH2-SG 3.14Å; R28-C41 VanDerWaalsContact NH2-SG 3.37Å; R28-C41 PolarHBondContact O-N 3.06Å; R28-S43 PolarHBondContact NE-OG 3.11Å; R28-S43 VanDerWaalsContact NE-OG 3.13Å; R28-H52 PolarHBondContact NH2-ND1 3.02Å |
| 29 | R | 92.5 | Very high | 88.7 | Confident | 83 Ų | 83 | 59 Ų | 59 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 131.2 | 167.7 | -69.8 | -148.4 | 179.1 | -177.2 | -3.7 | 110 | G8 Q39 F40 | G8-R29 PolarHBondContact O-N 3.42Å; R29-Q39 CarbonylContact C-O 3.55Å; R29-Q39 WeakPolarHBondContact CA-O 3.26Å; R29-Q39 VanDerWaalsContact NH1-OE1 3.12Å; R29-F40 HydrophobicContact CG-CE1 4.47Å |
| 30 | G | 84.2 | Confident | 88.6 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | trans | -98.3 | 176 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q39 | G30-Q39 PolarHBondContact N-O 3.13Š| ||
| 31 | R | 75.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 53.8 Ų | 53.8 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | trans | -74.6 | 133.6 | 163.9 | -64.4 | -178.6 | -177.5 | 175.3 | 2.7 | 107.9 | E33 L153 | R31-E33 HydrophobicContact CB-CG 3.92Å; R31-E33 WeakPolarHBondContact CD-OE1 3.28Å; R31-E33 IonicContact NH1-OE1 2.77Å; R31-E33 PolarHBondContact O-N 2.89Å; R31-L153 VanDerWaalsContact NH2-CD2 3.34Å | ||
| 32 | Q | 74.7 | Confident | 88.7 | Confident | 136 Ų | 136 | 50.7 Ų | 50.7 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | trans | -78.6 | 95.1 | 168.2 | -68.7 | -177.4 | 18.7 | 0 | 0 | 107.4 | Q39 | Q32-Q39 HydrophobicContact CG-CB 3.99Š| ||
| 33 | E | 67.8 | Low | 88.8 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | trans | -112.5 | 83.7 | 179.8 | -74.8 | 176.4 | -175.1 | 0 | 0 | 109.5 | R31 I37 | R31-E33 HydrophobicContact CB-CG 3.92Å; R31-E33 WeakPolarHBondContact CD-OE1 3.28Å; R31-E33 IonicContact NH1-OE1 2.77Å; R31-E33 PolarHBondContact O-N 2.89Å; E33-I37 WeakPolarHBondContact O-CD1 3.36Å | ||
| 34 | G | 69.6 | Low | 88.8 | Confident | 56 Ų | 56 | 46 Ų | 46 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 111.5 | 167.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 35 | Q | 76.8 | Confident | 88.8 | Confident | 203 Ų | 203 | 48.4 Ų | 48.4 | 95% | 0.949 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 137.7 | 178.3 | -70.1 | -173.7 | -5.3 | 0 | 0 | 110.6 | I37 | Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 3.31Å |
| 36 | G | 83.2 | Confident | 88.8 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -10.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S38 L56 R57 | G36-S38 PolarHBondContact O-N 3.15Å; G36-L56 CarbonylContact O-C 3.55Å; G36-L56 WeakPolarHBondContact O-CA 3.49Å; G36-R57 PolarHBondContact O-N 2.92Å |
| 37 | I | 86.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.2 | 173.9 | -56.3 | -162.3 | 0 | 0 | 0 | 109.5 | E33 Q35 A54 L56 | E33-I37 WeakPolarHBondContact O-CD1 3.36Å; Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 3.31Å; I37-A54 HydrophobicContact CG2-CB 4.14Å; I37-L56 HydrophobicContact CG1-CD2 4.02Å |
| 38 | S | 91.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 164.6 | 173.8 | 89.2 | 0 | 0 | 0 | 0 | 110.9 | G36 F40 I55 | G36-S38 PolarHBondContact O-N 3.15Å; S38-F40 PolarHBondContact O-N 3.5Å; S38-F40 VanDerWaalsContact O-N 3.07Å; S38-F40 PolarHBondContact OG-N 2.79Å; S38-F40 VanDerWaalsContact OG-N 3.12Å; S38-I55 WeakPolarHBondContact CA-O 3.49Å; S38-I55 WeakPolarHBondContact CB-O 3.25Å; S38-I55 PolarHBondContact N-O 2.96Å; S38-I55 WeakPolarHBondContact OG-CB 3.43Å; S38-I55 PolarHBondContact OG-O 3.47Å |
| 39 | Q | 91.9 | Very high | 88.2 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -1.1 | 174 | 71.5 | -171.3 | -26.1 | 0 | 0 | 114.8 | R29 G30 Q32 | R29-Q39 CarbonylContact C-O 3.55Å; R29-Q39 WeakPolarHBondContact CA-O 3.26Å; R29-Q39 VanDerWaalsContact NH1-OE1 3.12Å; G30-Q39 PolarHBondContact N-O 3.13Å; Q32-Q39 HydrophobicContact CG-CB 3.99Å |
| 40 | F | 95.2 | Very high | 88.4 | Confident | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.2 | -172.3 | -58.1 | -68.6 | 0 | 0 | 0 | 112.1 | M1 Y6 V27 R28 R29 S38 I55 Y63 V73 | M1-F40 HydrophobicContact CE-CD1 3.8Å; M1-F40 HydrophobicContact CE-CD2 4.35Å; M1-F40 HydrophobicContact CE-CE1 3.21Å; M1-F40 HydrophobicContact CE-CE2 3.82Å; M1-F40 HydrophobicContact CE-CG 4.33Å; M1-F40 HydrophobicContact CE-CZ 3.21Å; Y6-F40 AromaticContact CE2-CD1 3.99Å; Y6-F40 HydrophobicContact CE2-CD1 3.99Å; Y6-F40 AromaticContact CE2-CE1 3.75Å; Y6-F40 HydrophobicContact CE2-CE1 3.75Å; V27-F40 HydrophobicContact CG1-CB 4.28Å; V27-F40 HydrophobicContact CG1-CD1 4.42Å; R28-F40 WeakPolarHBondContact O-CA 3.42Å; R29-F40 HydrophobicContact CG-CE1 4.47Å; S38-F40 PolarHBondContact O-N 3.5Å; S38-F40 VanDerWaalsContact O-N 3.07Å; S38-F40 PolarHBondContact OG-N 2.79Å; S38-F40 VanDerWaalsContact OG-N 3.12Å; F40-I55 HydrophobicContact CB-CB 4.35Å; F40-I55 HydrophobicContact CB-CD1 3.81Å; F40-I55 HydrophobicContact CB-CG1 4.46Å; F40-I55 PolarHBondContact O-N 2.88Å; F40-Y63 AromaticContact CD2-CE1 3.81Å; F40-Y63 HydrophobicContact CD2-CE1 3.81Å; F40-Y63 HydrophobicContact CE2-CE1 4.03Å; F40-V73 HydrophobicContact CB-CG2 4.46Å; F40-V73 HydrophobicContact CD2-CG2 3.59Å; F40-V73 HydrophobicContact CE2-CG2 4.02Å; F40-V73 HydrophobicContact CG-CG2 4.13Å |
| 41 | C | 95.7 | Very high | 89 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.6 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | V27 R28 I53 | V27-C41 WeakPolarHBondContact CA-O 3.49Å; R28-C41 PolarHBondContact N-O 2.97Å; R28-C41 PolarHBondContact NH2-SG 3.14Å; R28-C41 VanDerWaalsContact NH2-SG 3.37Å; R28-C41 PolarHBondContact O-N 3.06Å; C41-I53 CarbonylContact C-O 3.49Å; C41-I53 VanDerWaalsContact CA-O 3.25Å; C41-I53 WeakPolarHBondContact CA-O 3.44Å; C41-I53 PolarHBondContact SG-O 3.12Å |
| 42 | I | 97.2 | Very high | 90 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.8 | 170.5 | -51.7 | 177.4 | 0 | 0 | 0 | 107.2 | F25 V27 I53 I55 L65 L76 I77 L87 I95 | F25-I42 HydrophobicContact CD2-CG2 4.36Å; V27-I42 HydrophobicContact CG2-CG1 4.39Å; I42-I53 PolarHBondContact N-O 2.67Å; I42-I53 PolarHBondContact O-N 3.5Å; I42-I55 HydrophobicContact CD1-CD1 4.13Å; I42-I55 HydrophobicContact CD1-CG1 4.13Å; I42-I55 HydrophobicContact CG1-CD1 3.71Å; I42-I55 HydrophobicContact CG1-CG1 3.83Å; I42-L65 HydrophobicContact CD1-CD1 3.86Å; I42-L65 HydrophobicContact CD1-CD2 4.11Å; I42-L65 HydrophobicContact CD1-CG 4.46Å; I42-L76 HydrophobicContact CD1-CD2 3.9Å; I42-I77 HydrophobicContact CD1-CD1 3.61Å; I42-I77 HydrophobicContact CG1-CD1 4.03Å; I42-L87 HydrophobicContact CD1-CD2 4.43Å; I42-L87 HydrophobicContact CG2-CD1 3.91Å; I42-I95 HydrophobicContact CG2-CG2 4.49Å |
| 43 | S | 98 | Very high | 91 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128 | 169.8 | -55 | 0 | 0 | 0 | 0 | 108.7 | F25 L26 R28 H51 H52 | F25-S43 CarbonylContact C-O 3.47Å; F25-S43 WeakPolarHBondContact CA-O 3.43Å; F25-S43 WeakPolarHBondContact CB-O 3.49Å; L26-S43 PolarHBondContact N-O 2.8Å; L26-S43 PolarHBondContact O-N 3.26Å; R28-S43 PolarHBondContact NE-OG 3.11Å; R28-S43 VanDerWaalsContact NE-OG 3.13Å; S43-H51 CarbonylContact C-O 3.6Å; S43-H51 VanDerWaalsContact CA-O 3.25Å; S43-H51 WeakPolarHBondContact CA-O 3.42Å; S43-H52 WeakPolarHBondContact CB-ND1 3.1Å; S43-H52 PolarHBondContact OG-ND1 2.91Å |
| 44 | V | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 141.1 | -174 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | E24 F25 C50 H51 L87 A93 I95 | E24-V44 WeakPolarHBondContact O-CA 3.32Å; E24-V44 WeakPolarHBondContact O-CG2 3.35Å; F25-V44 HydrophobicContact CB-CB 4.03Å; F25-V44 HydrophobicContact CB-CG2 4.13Å; V44-C50 WeakPolarHBondContact O-CA 3.08Å; V44-H51 HydrophobicContact CG1-CB 4.03Å; V44-H51 PolarHBondContact N-O 3.26Å; V44-H51 PolarHBondContact O-N 2.83Å; V44-L87 HydrophobicContact CB-CD1 4.44Å; V44-L87 HydrophobicContact CG1-CD1 3.84Å; V44-A93 HydrophobicContact CG1-CB 3.59Å; V44-I95 HydrophobicContact CB-CG2 4.27Å; V44-I95 HydrophobicContact CG2-CG2 3.91Å |
| 45 | R | 97.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 26% | 0.264 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.3 | 169.5 | -171.7 | 77.6 | 165.5 | 171.5 | 3.3 | 109.2 | L19 T21 D22 G23 E24 G48 R49 | L19-R45 HydrophobicContact CB-CB 4.1Å; L19-R45 WeakPolarHBondContact O-CD 3.46Å; T21-R45 WeakPolarHBondContact O-CB 3.34Å; D22-R45 CarbonylContact C-O 3.5Å; D22-R45 WeakPolarHBondContact CA-O 3.09Å; D22-R45 WeakPolarHBondContact OD1-CG 3.37Å; G23-R45 PolarHBondContact N-O 2.76Å; E24-R45 PolarHBondContact O-N 2.89Å; R45-G48 VanDerWaalsContact CZ-C 3.46Å; R45-G48 PolarHBondContact NH1-O 2.82Å; R45-G48 VanDerWaalsContact NH1-O 3.11Å; R45-G48 PolarHBondContact NH2-O 3.2Å; R45-G48 VanDerWaalsContact NH2-O 3.15Å; R45-R49 CarbonylContact C-O 3.54Å; R45-R49 WeakPolarHBondContact CA-O 3.33Å |
| 46 | S | 96.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 132.4 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | G48 R49 | S46-G48 PolarHBondContact O-N 3.48Å; S46-R49 PolarHBondContact N-O 2.95Å; S46-R49 PolarHBondContact O-N 2.8Å |
| 47 | T | 93.5 | Very high | 95 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 66% | 0.656 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.5 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 113 | D22 R49 | D22-T47 PolarHBondContact OD1-N 2.78Å; D22-T47 VanDerWaalsContact OD2-CA 3.31Å; D22-T47 WeakPolarHBondContact OD2-CA 3.46Å; D22-T47 PolarHBondContact OD2-N 2.95Å; T47-R49 PolarHBondContact O-N 3.14Å |
| 48 | G | 90.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 7.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D22 R45 S46 | D22-G48 PolarHBondContact OD1-N 3.46Å; D22-G48 VanDerWaalsContact OD1-N 3.14Å; R45-G48 VanDerWaalsContact CZ-C 3.46Å; R45-G48 PolarHBondContact NH1-O 2.82Å; R45-G48 VanDerWaalsContact NH1-O 3.11Å; R45-G48 PolarHBondContact NH2-O 3.2Å; R45-G48 VanDerWaalsContact NH2-O 3.15Å; S46-G48 PolarHBondContact O-N 3.48Å |
| 49 | R | 94.4 | Very high | 95.3 | Very high | 186 Ų | 186 | 48.2 Ų | 48.2 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.6 | 176.5 | -63.7 | -176.2 | -177.8 | 177 | 1.1 | 111.5 | R45 S46 T47 | R45-R49 CarbonylContact C-O 3.54Å; R45-R49 WeakPolarHBondContact CA-O 3.33Å; S46-R49 PolarHBondContact N-O 2.95Å; S46-R49 PolarHBondContact O-N 2.8Å; T47-R49 PolarHBondContact O-N 3.14Å |
| 50 | C | 96.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126 | 172.6 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | E16 V44 H52 | E16-C50 HydrophobicContact CG-CB 3.84Å; V44-C50 WeakPolarHBondContact O-CA 3.08Å; C50-H52 PolarHBondContact SG-CE1 3.46Å |
| 51 | H | 97.1 | Very high | 95.3 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138 | 173 | -63.5 | -95 | 0 | 0 | 0 | 109.7 | S43 V44 I53 | S43-H51 CarbonylContact C-O 3.6Å; S43-H51 VanDerWaalsContact CA-O 3.25Å; S43-H51 WeakPolarHBondContact CA-O 3.42Å; V44-H51 HydrophobicContact CG1-CB 4.03Å; V44-H51 PolarHBondContact N-O 3.26Å; V44-H51 PolarHBondContact O-N 2.83Å; H51-I53 HydrophobicContact CB-CG1 4.46Å |
| 52 | H | 96.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 101.3 | 177.4 | -61.4 | -64.4 | 0 | 0 | 0 | 110.1 | E16 R28 S43 C50 | E16-H52 IonicContact OE1-NE2 2.93Å; E16-H52 PolarHBondContact OE1-NE2 2.71Å; R28-H52 PolarHBondContact NH2-ND1 3.02Å; S43-H52 WeakPolarHBondContact CB-ND1 3.1Å; S43-H52 PolarHBondContact OG-ND1 2.91Å; C50-H52 PolarHBondContact SG-CE1 3.46Å |
| 53 | I | 95.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.3 | -171.1 | -55.4 | 173.8 | 0 | 0 | 0 | 108.6 | C41 I42 H51 L65 L87 T88 S91 | C41-I53 CarbonylContact C-O 3.49Å; C41-I53 VanDerWaalsContact CA-O 3.25Å; C41-I53 WeakPolarHBondContact CA-O 3.44Å; C41-I53 PolarHBondContact SG-O 3.12Å; I42-I53 PolarHBondContact N-O 2.67Å; I42-I53 PolarHBondContact O-N 3.5Å; H51-I53 HydrophobicContact CB-CG1 4.46Å; I53-L65 HydrophobicContact CG2-CD2 3.87Å; I53-L87 HydrophobicContact CD1-CB 3.58Å; I53-L87 HydrophobicContact CD1-CD1 3.63Å; I53-L87 HydrophobicContact CD1-CG 4.29Å; I53-T88 HydrophobicContact CD1-CG2 4.32Å; I53-T88 HydrophobicContact CG2-CG2 3.75Å; I53-S91 WeakPolarHBondContact CD1-OG 3.43Å |
| 54 | A | 95.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 65 Ų | 65 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | I37 | I37-A54 HydrophobicContact CG2-CB 4.14Å |
| 55 | I | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.1 | 170.3 | -61.9 | 172.2 | 0 | 0 | 0 | 107.4 | S38 F40 I42 Y63 L65 V73 L76 | S38-I55 WeakPolarHBondContact CA-O 3.49Å; S38-I55 WeakPolarHBondContact CB-O 3.25Å; S38-I55 PolarHBondContact N-O 2.96Å; S38-I55 WeakPolarHBondContact OG-CB 3.43Å; S38-I55 PolarHBondContact OG-O 3.47Å; F40-I55 HydrophobicContact CB-CB 4.35Å; F40-I55 HydrophobicContact CB-CD1 3.81Å; F40-I55 HydrophobicContact CB-CG1 4.46Å; F40-I55 PolarHBondContact O-N 2.88Å; I42-I55 HydrophobicContact CD1-CD1 4.13Å; I42-I55 HydrophobicContact CD1-CG1 4.13Å; I42-I55 HydrophobicContact CG1-CD1 3.71Å; I42-I55 HydrophobicContact CG1-CG1 3.83Å; I55-Y63 HydrophobicContact CG2-CD1 3.79Å; I55-Y63 HydrophobicContact CG2-CG 4.35Å; I55-L65 HydrophobicContact CB-CD2 4.45Å; I55-L65 HydrophobicContact CG1-CD2 3.92Å; I55-V73 HydrophobicContact CD1-CG1 3.84Å; I55-V73 HydrophobicContact CD1-CG2 4.31Å; I55-L76 HydrophobicContact CG2-CD1 4.12Å |
| 56 | L | 95.6 | Very high | 94.8 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 166.3 | 179.6 | -54.4 | -179 | 0 | 0 | 0 | 111.2 | G36 I37 Y63 M64 | G36-L56 CarbonylContact O-C 3.55Å; G36-L56 WeakPolarHBondContact O-CA 3.49Å; I37-L56 HydrophobicContact CG1-CD2 4.02Å; L56-Y63 WeakPolarHBondContact O-CA 3.35Å; L56-M64 HydrophobicContact CB-CG 3.94Å; L56-M64 PolarHBondContact N-O 3.44Å; L56-M64 PolarHBondContact O-N 2.76Å |
| 57 | R | 94.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 68.1 Ų | 68.1 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.1 | 167.7 | -71.9 | -170 | 168.1 | -175.7 | -3.5 | 110.2 | G36 N61 K62 Y63 | G36-R57 PolarHBondContact O-N 2.92Å; R57-N61 PolarHBondContact NH1-OD1 3.34Å; R57-K62 CarbonylContact C-O 3.55Å; R57-K62 VanDerWaalsContact CA-O 3.23Å; R57-K62 WeakPolarHBondContact CA-O 3.1Å; R57-Y63 PolarHBondContact NH2-OH 3.29Å; R57-Y63 VanDerWaalsContact NH2-OH 3.11Å |
| 58 | D | 93.4 | Very high | 94.5 | Very high | 34 Ų | 34 | 68.2 Ų | 68.2 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | trans | -76.1 | 179 | 170.3 | 78.9 | -3.2 | 0 | 0 | 0 | 111.5 | K60 N61 K62 M64 S69 | D58-K60 PolarHBondContact O-N 2.84Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CA 3.35Å; D58-K60 WeakPolarHBondContact OD1-CB 3.39Å; D58-K60 PolarHBondContact OD1-N 3.27Å; D58-N61 PolarHBondContact O-N 3.01Å; D58-N61 PolarHBondContact OD1-N 2.82Å; D58-K62 PolarHBondContact N-O 2.86Å; D58-K62 WeakPolarHBondContact OD1-CB 3.45Å; D58-K62 PolarHBondContact OD1-N 2.77Å; D58-K62 WeakPolarHBondContact OD2-CB 3.28Å; D58-M64 HydrophobicContact CB-SD 3.8Å; D58-S69 WeakPolarHBondContact OD2-CB 3.37Å; D58-S69 PolarHBondContact OD2-OG 3.5Å | ||
| 59 | T | 92.2 | Very high | 94.8 | Very high | 146 Ų | 146 | 67.9 Ų | 67.9 | 90% | 0.896 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.7 | 177.5 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 60 | K | 93.7 | Very high | 94.9 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 14.9 | 176.4 | -61.6 | 180 | -179.6 | 177.3 | 0 | 112.1 | D58 K62 | D58-K60 PolarHBondContact O-N 2.84Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CA 3.35Å; D58-K60 WeakPolarHBondContact OD1-CB 3.39Å; D58-K60 PolarHBondContact OD1-N 3.27Å; K60-K62 HydrophobicContact CB-CG 4.38Å; K60-K62 PolarHBondContact O-N 2.74Å |
| 61 | N | 92.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 60.4 | 19.9 | -176.6 | -81.2 | -57 | 0 | 0 | 0 | 115.3 | R57 D58 | R57-N61 PolarHBondContact NH1-OD1 3.34Å; D58-N61 PolarHBondContact O-N 3.01Å; D58-N61 PolarHBondContact OD1-N 2.82Å |
| 62 | K | 96.6 | Very high | 94.9 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | trans | -83.5 | 151.5 | 172.7 | -61.9 | -175.5 | 178.1 | -173 | 0 | 110.9 | R57 D58 K60 F70 | R57-K62 CarbonylContact C-O 3.55Å; R57-K62 VanDerWaalsContact CA-O 3.23Å; R57-K62 WeakPolarHBondContact CA-O 3.1Å; D58-K62 PolarHBondContact N-O 2.86Å; D58-K62 WeakPolarHBondContact OD1-CB 3.45Å; D58-K62 PolarHBondContact OD1-N 2.77Å; D58-K62 WeakPolarHBondContact OD2-CB 3.28Å; K60-K62 HydrophobicContact CB-CG 4.38Å; K60-K62 PolarHBondContact O-N 2.74Å; K62-F70 CarbonylContact C-O 3.51Å; K62-F70 WeakPolarHBondContact CA-O 3.43Å; K62-F70 VanDerWaalsContact CB-O 3.3Å; K62-F70 WeakPolarHBondContact CB-O 3.25Å | ||
| 63 | Y | 97 | Very high | 94.9 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136 | -177.9 | -63.1 | -85 | 0 | 0 | 0 | 111.5 | F40 I55 L56 R57 S69 F70 P71 V73 | F40-Y63 AromaticContact CD2-CE1 3.81Å; F40-Y63 HydrophobicContact CD2-CE1 3.81Å; F40-Y63 HydrophobicContact CE2-CE1 4.03Å; I55-Y63 HydrophobicContact CG2-CD1 3.79Å; I55-Y63 HydrophobicContact CG2-CG 4.35Å; L56-Y63 WeakPolarHBondContact O-CA 3.35Å; R57-Y63 PolarHBondContact NH2-OH 3.29Å; R57-Y63 VanDerWaalsContact NH2-OH 3.11Å; Y63-S69 CarbonylContact O-C 3.45Å; Y63-S69 WeakPolarHBondContact O-CA 3.44Å; Y63-F70 PolarHBondContact N-O 3.14Å; Y63-F70 PolarHBondContact O-N 3.47Å; Y63-P71 WeakPolarHBondContact CD2-O 3.36Å; Y63-V73 HydrophobicContact CD1-CG2 3.54Å; Y63-V73 HydrophobicContact CD2-CG2 4.2Å; Y63-V73 HydrophobicContact CE1-CG2 3.69Å; Y63-V73 HydrophobicContact CE2-CG2 4.34Å; Y63-V73 HydrophobicContact CG-CG2 3.8Å |
| 64 | M | 96.6 | Very high | 95 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164.3 | 178.1 | 66.1 | -174.8 | -72 | 0 | 0 | 112.4 | L56 D58 G67 | L56-M64 HydrophobicContact CB-CG 3.94Å; L56-M64 PolarHBondContact N-O 3.44Å; L56-M64 PolarHBondContact O-N 2.76Å; D58-M64 HydrophobicContact CB-SD 3.8Å; M64-G67 WeakPolarHBondContact CE-O 3.35Å |
| 65 | L | 95.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -109.5 | -97 | 163.4 | -58.7 | 178.5 | 0 | 0 | 0 | 107.3 | I42 I53 I55 L76 Y80 L87 | I42-L65 HydrophobicContact CD1-CD1 3.86Å; I42-L65 HydrophobicContact CD1-CD2 4.11Å; I42-L65 HydrophobicContact CD1-CG 4.46Å; I53-L65 HydrophobicContact CG2-CD2 3.87Å; I55-L65 HydrophobicContact CB-CD2 4.45Å; I55-L65 HydrophobicContact CG1-CD2 3.92Å; L65-L76 HydrophobicContact CD1-CD2 4.32Å; L65-L76 HydrophobicContact CG-CD1 4.36Å; L65-L76 HydrophobicContact CG-CD2 4.32Å; L65-Y80 HydrophobicContact CD1-CD2 4.2Å; L65-Y80 HydrophobicContact CD1-CE2 3.67Å; L65-Y80 HydrophobicContact CG-CE2 4.17Å; L65-L87 WeakPolarHBondContact CB-O 3.39Å; L65-L87 HydrophobicContact CD1-CB 3.87Å; L65-L87 HydrophobicContact CD1-CD2 3.72Å; L65-L87 HydrophobicContact CD1-CG 4.3Å; L65-L87 WeakPolarHBondContact CD1-O 3.16Å |
| 66 | E | 91.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -113.2 | 123.8 | 168.8 | -68.7 | 174.5 | 178 | 0 | 0 | 109.3 | Y80 T88 I89 | E66-Y80 PolarHBondContact O-OH 3.5Å; E66-T88 HydrophobicContact CG-CG2 4.2Å; E66-T88 WeakPolarHBondContact OE1-CB 3.48Å; E66-T88 VanDerWaalsContact OE2-CA 3.26Å; E66-T88 WeakPolarHBondContact OE2-CA 3.32Å; E66-I89 WeakPolarHBondContact OE2-CG1 3.17Å; E66-I89 PolarHBondContact OE2-N 3.08Å |
| 67 | G | 89.8 | Confident | 95.2 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 96.6 | -117.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M64 | M64-G67 WeakPolarHBondContact CE-O 3.35Š|
| 68 | Q | 93.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | trans | -67.1 | 141.9 | -169.7 | -174.4 | 173.9 | 10.5 | 0 | 0 | 112.7 | F70 | Q68-F70 HydrophobicContact CB-CE2 4.13Å; Q68-F70 HydrophobicContact CB-CZ 4.09Å; Q68-F70 HydrophobicContact CG-CE1 4.31Å; Q68-F70 HydrophobicContact CG-CE2 4.14Å; Q68-F70 HydrophobicContact CG-CZ 3.85Å; Q68-F70 WeakPolarHBondContact O-CE2 3.27Å | ||
| 69 | S | 96.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 58 Ų | 58 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | trans | -105.6 | 144.8 | 176.6 | -36.9 | 0 | 0 | 0 | 0 | 112.1 | D58 Y63 | D58-S69 WeakPolarHBondContact OD2-CB 3.37Å; D58-S69 PolarHBondContact OD2-OG 3.5Å; Y63-S69 CarbonylContact O-C 3.45Å; Y63-S69 WeakPolarHBondContact O-CA 3.44Å | ||
| 70 | F | 97.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -125.6 | 145.1 | -172.1 | -61 | -87.9 | 0 | 0 | 0 | 111.8 | K62 Y63 Q68 T72 D75 L76 Y79 | K62-F70 CarbonylContact C-O 3.51Å; K62-F70 WeakPolarHBondContact CA-O 3.43Å; K62-F70 VanDerWaalsContact CB-O 3.3Å; K62-F70 WeakPolarHBondContact CB-O 3.25Å; Y63-F70 PolarHBondContact N-O 3.14Å; Y63-F70 PolarHBondContact O-N 3.47Å; Q68-F70 HydrophobicContact CB-CE2 4.13Å; Q68-F70 HydrophobicContact CB-CZ 4.09Å; Q68-F70 HydrophobicContact CG-CE1 4.31Å; Q68-F70 HydrophobicContact CG-CE2 4.14Å; Q68-F70 HydrophobicContact CG-CZ 3.85Å; Q68-F70 WeakPolarHBondContact O-CE2 3.27Å; F70-T72 VanDerWaalsContact C-N 3.3Å; F70-T72 PolarHBondContact O-N 2.99Å; F70-D75 HydrophobicContact CB-CB 3.95Å; F70-D75 HydrophobicContact CD1-CB 4.14Å; F70-D75 HydrophobicContact CG-CB 4.42Å; F70-L76 HydrophobicContact CB-CB 4.02Å; F70-L76 HydrophobicContact CD2-CB 3.72Å; F70-L76 HydrophobicContact CD2-CD1 4.12Å; F70-L76 HydrophobicContact CD2-CG 3.86Å; F70-L76 HydrophobicContact CE2-CB 4.46Å; F70-L76 HydrophobicContact CE2-CG 4.3Å; F70-L76 HydrophobicContact CG-CB 3.95Å; F70-Y79 HydrophobicContact CE1-CD1 4.37Å; F70-Y79 AromaticContact CE1-CD2 3.86Å; F70-Y79 HydrophobicContact CE1-CD2 3.86Å; F70-Y79 AromaticContact CE1-CG 3.68Å; F70-Y79 HydrophobicContact CE1-CG 3.68Å; F70-Y79 HydrophobicContact CE2-CD1 4.24Å; F70-Y79 HydrophobicContact CE2-CG 4.33Å; F70-Y79 AromaticContact CZ-CD1 3.57Å; F70-Y79 HydrophobicContact CZ-CD1 3.57Å; F70-Y79 AromaticContact CZ-CD2 3.72Å; F70-Y79 HydrophobicContact CZ-CD2 3.72Å; F70-Y79 HydrophobicContact CZ-CE1 4.17Å; F70-Y79 HydrophobicContact CZ-CE2 4.28Å; F70-Y79 AromaticContact CZ-CG 3.32Å; F70-Y79 HydrophobicContact CZ-CG 3.32Å |
| 71 | P | 96.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -60.1 | -37.1 | 179.6 | -22.6 | 33.8 | 0 | 0 | 0 | 113.5 | Y63 | Y63-P71 WeakPolarHBondContact CD2-O 3.36Š|
| 72 | T | 96.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -129.8 | 161.4 | 179.5 | 75 | 0 | 0 | 0 | 0 | 112.4 | F70 S74 D75 L76 | F70-T72 VanDerWaalsContact C-N 3.3Å; F70-T72 PolarHBondContact O-N 2.99Å; T72-S74 PolarHBondContact O-N 3.11Å; T72-S74 PolarHBondContact OG1-N 3.12Å; T72-D75 WeakPolarHBondContact CB-OD2 3.37Å; T72-D75 PolarHBondContact N-OD2 3.03Å; T72-D75 VanDerWaalsContact N-OD2 3.07Å; T72-D75 PolarHBondContact O-N 3.03Å; T72-D75 PolarHBondContact OG1-N 2.92Å; T72-D75 PolarHBondContact OG1-OD2 2.92Å; T72-L76 PolarHBondContact O-N 2.92Å |
| 73 | V | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -31.9 | 170 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | M1 V27 F40 I55 Y63 L76 I77 | M1-V73 HydrophobicContact CE-CB 4.17Å; M1-V73 HydrophobicContact CE-CG1 4.44Å; M1-V73 HydrophobicContact CE-CG2 4.31Å; M1-V73 HydrophobicContact SD-CB 3.98Å; M1-V73 HydrophobicContact SD-CG1 4.18Å; V27-V73 HydrophobicContact CG1-CG1 4.22Å; F40-V73 HydrophobicContact CB-CG2 4.46Å; F40-V73 HydrophobicContact CD2-CG2 3.59Å; F40-V73 HydrophobicContact CE2-CG2 4.02Å; F40-V73 HydrophobicContact CG-CG2 4.13Å; I55-V73 HydrophobicContact CD1-CG1 3.84Å; I55-V73 HydrophobicContact CD1-CG2 4.31Å; Y63-V73 HydrophobicContact CD1-CG2 3.54Å; Y63-V73 HydrophobicContact CD2-CG2 4.2Å; Y63-V73 HydrophobicContact CE1-CG2 3.69Å; Y63-V73 HydrophobicContact CE2-CG2 4.34Å; Y63-V73 HydrophobicContact CG-CG2 3.8Å; V73-L76 PolarHBondContact O-N 2.81Å; V73-I77 HydrophobicContact CG1-CG1 4.17Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 2.91Å |
| 74 | S | 97 | Very high | 96.1 | Very high | 28 Ų | 28 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 178.2 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | E3 Y5 T72 L76 I77 S78 | E3-S74 PolarHBondContact OE1-OG 3.36Å; Y5-S74 VanDerWaalsContact OH-CA 3.31Å; Y5-S74 WeakPolarHBondContact OH-CA 3.43Å; Y5-S74 PolarHBondContact OH-OG 2.92Å; T72-S74 PolarHBondContact O-N 3.11Å; T72-S74 PolarHBondContact OG1-N 3.12Å; S74-L76 PolarHBondContact O-N 3.42Å; S74-I77 PolarHBondContact O-N 3.14Å; S74-S78 VanDerWaalsContact O-CB 3.26Å; S74-S78 WeakPolarHBondContact O-CB 3.17Å; S74-S78 PolarHBondContact O-N 2.96Å; S74-S78 PolarHBondContact O-OG 2.96Å |
| 75 | D | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174 | -59.6 | -47.4 | 0 | 0 | 0 | 111.7 | F70 T72 S78 Y79 | F70-D75 HydrophobicContact CB-CB 3.95Å; F70-D75 HydrophobicContact CD1-CB 4.14Å; F70-D75 HydrophobicContact CG-CB 4.42Å; T72-D75 WeakPolarHBondContact CB-OD2 3.37Å; T72-D75 PolarHBondContact N-OD2 3.03Å; T72-D75 VanDerWaalsContact N-OD2 3.07Å; T72-D75 PolarHBondContact O-N 3.03Å; T72-D75 PolarHBondContact OG1-N 2.92Å; T72-D75 PolarHBondContact OG1-OD2 2.92Å; D75-S78 PolarHBondContact O-N 3.34Å; D75-Y79 WeakPolarHBondContact O-CB 3.43Å; D75-Y79 PolarHBondContact O-N 2.93Å |
| 76 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -51 | 176.6 | -177 | 155.5 | 0 | 0 | 0 | 111.2 | I42 I55 L65 F70 T72 V73 S74 S78 Y79 Y80 | I42-L76 HydrophobicContact CD1-CD2 3.9Å; I55-L76 HydrophobicContact CG2-CD1 4.12Å; L65-L76 HydrophobicContact CD1-CD2 4.32Å; L65-L76 HydrophobicContact CG-CD1 4.36Å; L65-L76 HydrophobicContact CG-CD2 4.32Å; F70-L76 HydrophobicContact CB-CB 4.02Å; F70-L76 HydrophobicContact CD2-CB 3.72Å; F70-L76 HydrophobicContact CD2-CD1 4.12Å; F70-L76 HydrophobicContact CD2-CG 3.86Å; F70-L76 HydrophobicContact CE2-CB 4.46Å; F70-L76 HydrophobicContact CE2-CG 4.3Å; F70-L76 HydrophobicContact CG-CB 3.95Å; T72-L76 PolarHBondContact O-N 2.92Å; V73-L76 PolarHBondContact O-N 2.81Å; S74-L76 PolarHBondContact O-N 3.42Å; L76-S78 PolarHBondContact O-N 2.83Å; L76-Y79 WeakPolarHBondContact O-CB 3.3Å; L76-Y79 PolarHBondContact O-N 3.23Å; L76-Y80 HydrophobicContact CD2-CD2 3.83Å; L76-Y80 HydrophobicContact CD2-CE2 4.04Å; L76-Y80 HydrophobicContact CG-CD2 4.19Å; L76-Y80 HydrophobicContact CG-CE2 4.11Å; L76-Y80 WeakPolarHBondContact O-CD2 3.13Å; L76-Y80 PolarHBondContact O-N 2.85Å; L76-Y80 VanDerWaalsContact O-N 3.16Å |
| 77 | I | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 180 | -67.1 | -62.7 | 0 | 0 | 0 | 110.6 | Y5 F25 V27 I42 V73 S74 Y79 Y80 M81 I95 | Y5-I77 HydrophobicContact CD1-CG2 4.25Å; Y5-I77 HydrophobicContact CE1-CG2 3.89Å; Y5-I77 HydrophobicContact CE2-CG1 4.15Å; Y5-I77 HydrophobicContact CE2-CG2 4.48Å; F25-I77 HydrophobicContact CE2-CD1 4.1Å; F25-I77 HydrophobicContact CE2-CG2 3.68Å; F25-I77 HydrophobicContact CZ-CG2 3.67Å; V27-I77 HydrophobicContact CG2-CD1 3.74Å; V27-I77 HydrophobicContact CG2-CG1 4.01Å; I42-I77 HydrophobicContact CD1-CD1 3.61Å; I42-I77 HydrophobicContact CG1-CD1 4.03Å; V73-I77 HydrophobicContact CG1-CG1 4.17Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 2.91Å; S74-I77 PolarHBondContact O-N 3.14Å; I77-Y79 VanDerWaalsContact C-N 3.28Å; I77-Y79 PolarHBondContact O-N 3.35Å; I77-Y80 PolarHBondContact O-N 3.07Å; I77-M81 HydrophobicContact CG2-CG 4.12Å; I77-M81 HydrophobicContact CG2-SD 3.84Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.48Å; I77-M81 PolarHBondContact O-N 2.83Å; I77-I95 HydrophobicContact CD1-CD1 4.31Å; I77-I95 HydrophobicContact CG2-CD1 4.28Å |
| 78 | S | 96.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 112 | S74 D75 L76 R82 | S74-S78 VanDerWaalsContact O-CB 3.26Å; S74-S78 WeakPolarHBondContact O-CB 3.17Å; S74-S78 PolarHBondContact O-N 2.96Å; S74-S78 PolarHBondContact O-OG 2.96Å; D75-S78 PolarHBondContact O-N 3.34Å; L76-S78 PolarHBondContact O-N 2.83Å; S78-R82 VanDerWaalsContact O-CB 3.26Å; S78-R82 WeakPolarHBondContact O-CB 3.25Å; S78-R82 PolarHBondContact O-N 2.89Å |
| 79 | Y | 97.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -55.2 | 174.6 | 173.6 | -91.4 | 0 | 0 | 0 | 111.9 | F70 D75 L76 I77 M81 R82 T83 Q85 | F70-Y79 HydrophobicContact CE1-CD1 4.37Å; F70-Y79 AromaticContact CE1-CD2 3.86Å; F70-Y79 HydrophobicContact CE1-CD2 3.86Å; F70-Y79 AromaticContact CE1-CG 3.68Å; F70-Y79 HydrophobicContact CE1-CG 3.68Å; F70-Y79 HydrophobicContact CE2-CD1 4.24Å; F70-Y79 HydrophobicContact CE2-CG 4.33Å; F70-Y79 AromaticContact CZ-CD1 3.57Å; F70-Y79 HydrophobicContact CZ-CD1 3.57Å; F70-Y79 AromaticContact CZ-CD2 3.72Å; F70-Y79 HydrophobicContact CZ-CD2 3.72Å; F70-Y79 HydrophobicContact CZ-CE1 4.17Å; F70-Y79 HydrophobicContact CZ-CE2 4.28Å; F70-Y79 AromaticContact CZ-CG 3.32Å; F70-Y79 HydrophobicContact CZ-CG 3.32Å; D75-Y79 WeakPolarHBondContact O-CB 3.43Å; D75-Y79 PolarHBondContact O-N 2.93Å; L76-Y79 WeakPolarHBondContact O-CB 3.3Å; L76-Y79 PolarHBondContact O-N 3.23Å; I77-Y79 VanDerWaalsContact C-N 3.28Å; I77-Y79 PolarHBondContact O-N 3.35Å; Y79-M81 VanDerWaalsContact C-N 3.34Å; Y79-M81 PolarHBondContact O-N 3.49Å; Y79-R82 PolarHBondContact O-N 3.02Å; Y79-R82 VanDerWaalsContact O-N 3.15Å; Y79-T83 HydrophobicContact CD2-CG2 3.98Å; Y79-T83 HydrophobicContact CE1-CG2 4.34Å; Y79-T83 HydrophobicContact CE2-CG2 3.71Å; Y79-T83 HydrophobicContact CG-CG2 4.41Å; Y79-T83 WeakPolarHBondContact O-CG2 3.42Å; Y79-T83 PolarHBondContact O-N 3.2Å; Y79-T83 PolarHBondContact O-OG1 2.81Å; Y79-Q85 VanDerWaalsContact CE1-OE1 3.31Å; Y79-Q85 VanDerWaalsContact OH-CD 3.26Å; Y79-Q85 PolarHBondContact OH-NE2 3.12Å; Y79-Q85 PolarHBondContact OH-OE1 3.16Å |
| 80 | Y | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 64.7 Ų | 64.7 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -33.1 | -177.4 | -78.9 | -77 | 0 | 0 | 0 | 112.9 | L65 E66 L76 I77 R82 K84 Q85 R86 L87 | L65-Y80 HydrophobicContact CD1-CD2 4.2Å; L65-Y80 HydrophobicContact CD1-CE2 3.67Å; L65-Y80 HydrophobicContact CG-CE2 4.17Å; E66-Y80 PolarHBondContact O-OH 3.5Å; L76-Y80 HydrophobicContact CD2-CD2 3.83Å; L76-Y80 HydrophobicContact CD2-CE2 4.04Å; L76-Y80 HydrophobicContact CG-CD2 4.19Å; L76-Y80 HydrophobicContact CG-CE2 4.11Å; L76-Y80 WeakPolarHBondContact O-CD2 3.13Å; L76-Y80 PolarHBondContact O-N 2.85Å; L76-Y80 VanDerWaalsContact O-N 3.16Å; I77-Y80 PolarHBondContact O-N 3.07Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-K84 PolarHBondContact O-N 3.05Å; Y80-K84 VanDerWaalsContact O-N 3.13Å; Y80-Q85 HydrophobicContact CD1-CB 4.13Å; Y80-Q85 HydrophobicContact CE1-CB 4.21Å; Y80-R86 WeakPolarHBondContact CE1-O 3.37Å; Y80-L87 HydrophobicContact CD1-CD2 3.79Å; Y80-L87 HydrophobicContact CD2-CD2 4.18Å; Y80-L87 HydrophobicContact CE1-CD2 4.32Å; Y80-L87 HydrophobicContact CG-CD2 3.72Å |
| 81 | M | 96.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 172.6 | -75.6 | -172.6 | 69.8 | 0 | 0 | 112.2 | F25 I77 Y79 K84 I95 | F25-M81 HydrophobicContact CE1-CE 4.31Å; F25-M81 HydrophobicContact CE1-CG 4.07Å; F25-M81 HydrophobicContact CE1-SD 3.83Å; F25-M81 HydrophobicContact CZ-CG 4.05Å; F25-M81 HydrophobicContact CZ-SD 3.55Å; F25-M81 VanDerWaalsContact CZ-SD 3.55Å; I77-M81 HydrophobicContact CG2-CG 4.12Å; I77-M81 HydrophobicContact CG2-SD 3.84Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.48Å; I77-M81 PolarHBondContact O-N 2.83Å; Y79-M81 VanDerWaalsContact C-N 3.34Å; Y79-M81 PolarHBondContact O-N 3.49Å; M81-K84 WeakPolarHBondContact O-CD 3.44Å; M81-K84 WeakPolarHBondContact O-CE 3.34Å; M81-K84 PolarHBondContact O-NZ 2.73Å; M81-I95 HydrophobicContact CG-CD1 3.6Å; M81-I95 HydrophobicContact CG-CG1 3.95Å |
| 82 | R | 97.1 | Very high | 96.3 | Very high | 186 Ų | 186 | 61.8 Ų | 61.8 | 70% | 0.702 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -77.9 | -47.2 | -179.2 | -178.3 | -177.7 | 64.8 | -149.1 | -2.4 | 112.6 | S78 Y79 Y80 | S78-R82 VanDerWaalsContact O-CB 3.26Å; S78-R82 WeakPolarHBondContact O-CB 3.25Å; S78-R82 PolarHBondContact O-N 2.89Å; Y79-R82 PolarHBondContact O-N 3.02Å; Y79-R82 VanDerWaalsContact O-N 3.15Å; Y80-R82 VanDerWaalsContact C-N 3.34Å |
| 83 | T | 96.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 31% | 0.307 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.1 | -16.3 | -173.2 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | Y79 Q85 | Y79-T83 HydrophobicContact CD2-CG2 3.98Å; Y79-T83 HydrophobicContact CE1-CG2 4.34Å; Y79-T83 HydrophobicContact CE2-CG2 3.71Å; Y79-T83 HydrophobicContact CG-CG2 4.41Å; Y79-T83 WeakPolarHBondContact O-CG2 3.42Å; Y79-T83 PolarHBondContact O-N 3.2Å; Y79-T83 PolarHBondContact O-OG1 2.81Å; T83-Q85 PolarHBondContact O-N 3.3Å; T83-Q85 VanDerWaalsContact O-N 3.13Å |
| 84 | K | 96 | Very high | 96.4 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | trans | 54.5 | 27 | -175 | -56.2 | -54.7 | -171.5 | -161.8 | 0 | 113.5 | Y80 M81 I94 I95 A96 | Y80-K84 PolarHBondContact O-N 3.05Å; Y80-K84 VanDerWaalsContact O-N 3.13Å; M81-K84 WeakPolarHBondContact O-CD 3.44Å; M81-K84 WeakPolarHBondContact O-CE 3.34Å; M81-K84 PolarHBondContact O-NZ 2.73Å; K84-I94 HydrophobicContact CB-CG2 4.14Å; K84-I94 HydrophobicContact CD-CG2 4.32Å; K84-I94 WeakPolarHBondContact O-CG2 3.45Å; K84-I95 PolarHBondContact NZ-O 3.25Å; K84-A96 PolarHBondContact NZ-O 3.23Å | ||
| 85 | Q | 95.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | trans | -70.7 | 155.1 | 172.6 | -73.4 | -179.3 | -5 | 0 | 0 | 111.2 | Y79 Y80 T83 | Y79-Q85 VanDerWaalsContact CE1-OE1 3.31Å; Y79-Q85 VanDerWaalsContact OH-CD 3.26Å; Y79-Q85 PolarHBondContact OH-NE2 3.12Å; Y79-Q85 PolarHBondContact OH-OE1 3.16Å; Y80-Q85 HydrophobicContact CD1-CB 4.13Å; Y80-Q85 HydrophobicContact CE1-CB 4.21Å; T83-Q85 PolarHBondContact O-N 3.3Å; T83-Q85 VanDerWaalsContact O-N 3.13Å | ||
| 86 | R | 96.9 | Very high | 96.3 | Very high | 165 Ų | 165 | 59.6 Ų | 59.6 | 62% | 0.623 | 29% | 0.294 | S | S | * | . | trans | -65.4 | 137 | 172.5 | -62.4 | 174.2 | 178.8 | 177.9 | 2.6 | 109.6 | Y80 A93 I94 | Y80-R86 WeakPolarHBondContact CE1-O 3.37Å; R86-A93 CarbonylContact C-O 3.52Å; R86-A93 WeakPolarHBondContact CA-O 3.36Å; R86-I94 HydrophobicContact CG-CD1 4.38Å; R86-I94 HydrophobicContact CG-CG1 4.11Å | ||
| 87 | L | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -64.1 | -43.3 | 178.6 | -67.7 | -173.5 | 0 | 0 | 0 | 111.8 | I42 V44 I53 L65 Y80 A93 I95 | I42-L87 HydrophobicContact CD1-CD2 4.43Å; I42-L87 HydrophobicContact CG2-CD1 3.91Å; V44-L87 HydrophobicContact CB-CD1 4.44Å; V44-L87 HydrophobicContact CG1-CD1 3.84Å; I53-L87 HydrophobicContact CD1-CB 3.58Å; I53-L87 HydrophobicContact CD1-CD1 3.63Å; I53-L87 HydrophobicContact CD1-CG 4.29Å; L65-L87 WeakPolarHBondContact CB-O 3.39Å; L65-L87 HydrophobicContact CD1-CB 3.87Å; L65-L87 HydrophobicContact CD1-CD2 3.72Å; L65-L87 HydrophobicContact CD1-CG 4.3Å; L65-L87 WeakPolarHBondContact CD1-O 3.16Å; Y80-L87 HydrophobicContact CD1-CD2 3.79Å; Y80-L87 HydrophobicContact CD2-CD2 4.18Å; Y80-L87 HydrophobicContact CE1-CD2 4.32Å; Y80-L87 HydrophobicContact CG-CD2 3.72Å; L87-A93 PolarHBondContact N-O 3.19Å; L87-I95 HydrophobicContact CD1-CG2 3.8Å; L87-I95 HydrophobicContact CD2-CD1 4.39Å; L87-I95 HydrophobicContact CD2-CG1 4.37Å; L87-I95 HydrophobicContact CD2-CG2 4.1Å; L87-I95 HydrophobicContact CG-CG2 4.23Å |
| 88 | T | 96 | Very high | 96.3 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | trans | -143.9 | 157.4 | 170.7 | 64 | 0 | 0 | 0 | 0 | 110.1 | I53 E66 E90 S91 G92 | I53-T88 HydrophobicContact CD1-CG2 4.32Å; I53-T88 HydrophobicContact CG2-CG2 3.75Å; E66-T88 HydrophobicContact CG-CG2 4.2Å; E66-T88 WeakPolarHBondContact OE1-CB 3.48Å; E66-T88 VanDerWaalsContact OE2-CA 3.26Å; E66-T88 WeakPolarHBondContact OE2-CA 3.32Å; T88-E90 VanDerWaalsContact C-N 3.31Å; T88-E90 PolarHBondContact O-N 2.93Å; T88-S91 PolarHBondContact O-OG 3.31Å; T88-S91 VanDerWaalsContact OG1-CB 3.28Å; T88-S91 WeakPolarHBondContact OG1-CB 3.3Å; T88-S91 PolarHBondContact OG1-N 3.03Å; T88-S91 VanDerWaalsContact OG1-N 3.08Å; T88-S91 PolarHBondContact OG1-OG 3.13Å; T88-G92 PolarHBondContact O-N 2.85Å; T88-G92 VanDerWaalsContact O-N 3.14Å | ||
| 89 | I | 94.4 | Very high | 96.2 | Very high | 140 Ų | 140 | 63.8 Ų | 63.8 | 72% | 0.718 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -47.1 | 173.4 | -66.9 | 167.3 | 0 | 0 | 0 | 110 | E66 G92 | E66-I89 WeakPolarHBondContact OE2-CG1 3.17Å; E66-I89 PolarHBondContact OE2-N 3.08Å; I89-G92 PolarHBondContact O-N 3.37Å |
| 90 | E | 94.1 | Very high | 96 | Very high | 185 Ų | 185 | 70.5 Ų | 70.5 | 86% | 0.864 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -46 | -176.3 | -174.6 | -173.9 | 175.5 | 0 | 0 | 112.8 | T88 | T88-E90 VanDerWaalsContact C-N 3.31Å; T88-E90 PolarHBondContact O-N 2.93Å |
| 91 | S | 94.2 | Very high | 95.6 | Very high | 15 Ų | 15 | 73.9 Ų | 73.9 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -29.6 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | I53 T88 A93 | I53-S91 WeakPolarHBondContact CD1-OG 3.43Å; T88-S91 PolarHBondContact O-OG 3.31Å; T88-S91 VanDerWaalsContact OG1-CB 3.28Å; T88-S91 WeakPolarHBondContact OG1-CB 3.3Å; T88-S91 PolarHBondContact OG1-N 3.03Å; T88-S91 VanDerWaalsContact OG1-N 3.08Å; T88-S91 PolarHBondContact OG1-OG 3.13Å; S91-A93 PolarHBondContact O-N 2.8Å; S91-A93 PolarHBondContact OG-N 2.85Å |
| 92 | G | 95.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | trans | 60.1 | 4.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T88 I89 | T88-G92 PolarHBondContact O-N 2.85Å; T88-G92 VanDerWaalsContact O-N 3.14Å; I89-G92 PolarHBondContact O-N 3.37Å | ||
| 93 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -78.4 | 142.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V44 R86 L87 S91 | V44-A93 HydrophobicContact CG1-CB 3.59Å; R86-A93 CarbonylContact C-O 3.52Å; R86-A93 WeakPolarHBondContact CA-O 3.36Å; L87-A93 PolarHBondContact N-O 3.19Å; S91-A93 PolarHBondContact O-N 2.8Å; S91-A93 PolarHBondContact OG-N 2.85Å | ||
| 94 | I | 97.3 | Very high | 95 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | trans | -124.3 | 134.6 | 177.8 | -61.3 | 169.3 | 0 | 0 | 0 | 108.2 | G23 K84 R86 | G23-I94 WeakPolarHBondContact CA-O 3.22Å; K84-I94 HydrophobicContact CB-CG2 4.14Å; K84-I94 HydrophobicContact CD-CG2 4.32Å; K84-I94 WeakPolarHBondContact O-CG2 3.45Å; R86-I94 HydrophobicContact CG-CD1 4.38Å; R86-I94 HydrophobicContact CG-CG1 4.11Å | ||
| 95 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -88 | 132 | 176.8 | 60.4 | 176.2 | 0 | 0 | 0 | 111.7 | F25 I42 V44 I77 M81 K84 L87 | F25-I95 HydrophobicContact CB-CB 4.33Å; F25-I95 HydrophobicContact CB-CG2 3.68Å; F25-I95 HydrophobicContact CD1-CB 3.59Å; F25-I95 HydrophobicContact CD1-CD1 4.46Å; F25-I95 HydrophobicContact CD1-CG2 3.89Å; F25-I95 HydrophobicContact CD2-CG2 4.26Å; F25-I95 HydrophobicContact CE1-CB 4.02Å; F25-I95 HydrophobicContact CE1-CD1 4.22Å; F25-I95 HydrophobicContact CE2-CD1 4.29Å; F25-I95 HydrophobicContact CG-CB 3.93Å; F25-I95 HydrophobicContact CG-CG2 3.67Å; F25-I95 HydrophobicContact CZ-CD1 4.15Å; I42-I95 HydrophobicContact CG2-CG2 4.49Å; V44-I95 HydrophobicContact CB-CG2 4.27Å; V44-I95 HydrophobicContact CG2-CG2 3.91Å; I77-I95 HydrophobicContact CD1-CD1 4.31Å; I77-I95 HydrophobicContact CG2-CD1 4.28Å; M81-I95 HydrophobicContact CG-CD1 3.6Å; M81-I95 HydrophobicContact CG-CG1 3.95Å; K84-I95 PolarHBondContact NZ-O 3.25Å; L87-I95 HydrophobicContact CD1-CG2 3.8Å; L87-I95 HydrophobicContact CD2-CD1 4.39Å; L87-I95 HydrophobicContact CD2-CG1 4.37Å; L87-I95 HydrophobicContact CD2-CG2 4.1Å; L87-I95 HydrophobicContact CG-CG2 4.23Å | ||
| 96 | A | 96 | Very high | 94.9 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | trans | -108.4 | -54.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G23 K84 | G23-A96 PolarHBondContact O-N 2.98Å; K84-A96 PolarHBondContact NZ-O 3.23Å | ||
| 97 | K | 96.2 | Very high | 94.7 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 146.2 | -172.8 | 64.6 | -177.1 | -175.8 | 175.2 | 0 | 111.8 | T21 G23 E24 F25 | T21-K97 PolarHBondContact OG1-NZ 2.92Å; G23-K97 PolarHBondContact O-N 2.92Å; E24-K97 WeakPolarHBondContact CA-O 3.25Å; E24-K97 HydrophobicContact CG-CD 4.35Å; E24-K97 HydrophobicContact CG-CG 4.07Å; E24-K97 WeakPolarHBondContact OE1-CE 3.45Å; E24-K97 IonicContact OE1-NZ 3.02Å; E24-K97 PolarHBondContact OE1-NZ 3.04Å; F25-K97 VanDerWaalsContact CD1-C 3.45Å; F25-K97 WeakPolarHBondContact CD1-O 3.46Å; F25-K97 PolarHBondContact N-O 3.48Å; F25-K97 VanDerWaalsContact N-O 3.14Å |
| 98 | P | 97.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 56 Ų | 56 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.1 | 166.7 | -26.3 | 36.9 | 0 | 0 | 0 | 111.3 | Y5 F25 | Y5-P98 HydrophobicContact CD1-CG 4.39Å; F25-P98 HydrophobicContact CE1-CG 4.14Å; F25-P98 HydrophobicContact CZ-CG 4.09Å; F25-P98 WeakPolarHBondContact O-CA 3.34Å |
| 99 | V | 95.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.1 | 168.4 | 65.5 | 0 | 0 | 0 | 0 | 110.5 | Y7 L18 L19 F25 L26 | Y7-V99 HydrophobicContact CE2-CG1 3.94Å; Y7-V99 WeakPolarHBondContact OH-CG1 3.46Å; Y7-V99 PolarHBondContact OH-O 3.27Å; L18-V99 HydrophobicContact CB-CG2 4.28Å; L18-V99 WeakPolarHBondContact O-CG2 3.47Å; L19-V99 HydrophobicContact CD2-CB 3.83Å; L19-V99 HydrophobicContact CD2-CG1 3.94Å; L19-V99 HydrophobicContact CD2-CG2 4.19Å; F25-V99 PolarHBondContact O-N 3.35Å; L26-V99 HydrophobicContact CB-CG1 3.76Å; L26-V99 HydrophobicContact CD2-CG1 3.84Å; L26-V99 HydrophobicContact CG-CG1 4.3Å |
| 100 | K | 92.1 | Very high | 94.7 | Very high | 177 Ų | 177 | 56.7 Ų | 56.7 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.3 | 177.4 | -174.6 | 178 | 176.3 | -177.7 | 0 | 110.3 | Y7 A102 | Y7-K100 PolarHBondContact OH-O 3.27Å; K100-A102 PolarHBondContact O-N 3.11Å |
| 101 | R | 89.9 | Confident | 94.8 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.5 | 174.9 | -164.3 | 166.4 | -66.4 | -120.4 | -5.1 | 110.5 | E4 Y6 Y7 I105 | E4-R101 PolarHBondContact O-NH2 2.83Å; Y6-R101 PolarHBondContact O-NH2 3.33Å; Y7-R101 HydrophobicContact CE1-CG 4.44Å; Y7-R101 WeakPolarHBondContact OH-CA 3.43Å; Y7-R101 PolarHBondContact OH-N 3.31Å; Y7-R101 VanDerWaalsContact OH-N 3.12Å; R101-I105 HydrophobicContact CG-CB 4.18Å; R101-I105 HydrophobicContact CG-CG2 4.4Å |
| 102 | A | 91.1 | Very high | 95 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 140.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L18 K100 W104 I105 | L18-A102 HydrophobicContact CD2-CB 3.81Å; K100-A102 PolarHBondContact O-N 3.11Å; A102-W104 HydrophobicContact CB-CD2 4.45Å; A102-W104 HydrophobicContact CB-CG 4.31Å; A102-W104 HydrophobicContact CB-CZ2 4.41Å; A102-W104 PolarHBondContact O-N 3.11Å; A102-I105 HydrophobicContact CB-CD1 4.41Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 PolarHBondContact O-N 3.28Å |
| 103 | D | 90.8 | Very high | 95.1 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.5 | -173.7 | -65.7 | -24.4 | 0 | 0 | 0 | 114 | I105 | D103-I105 VanDerWaalsContact C-N 3.34Š|
| 104 | W | 93.7 | Very high | 95.1 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 16% | 0.163 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12.1 | 177.5 | 61.1 | -95.6 | 0 | 0 | 0 | 113.6 | L10 A102 I106 R167 F177 G179 V180 L182 | L10-W104 HydrophobicContact CD1-CH2 3.64Å; L10-W104 HydrophobicContact CD1-CZ2 4.39Å; A102-W104 HydrophobicContact CB-CD2 4.45Å; A102-W104 HydrophobicContact CB-CG 4.31Å; A102-W104 HydrophobicContact CB-CZ2 4.41Å; A102-W104 PolarHBondContact O-N 3.11Å; W104-I106 PolarHBondContact O-N 3.02Å; W104-R167 VanDerWaalsContact CZ2-NH1 3.29Å; W104-F177 HydrophobicContact CB-CE1 3.74Å; W104-F177 HydrophobicContact CB-CZ 4.06Å; W104-G179 CarbonylContact O-C 3.55Å; W104-G179 VanDerWaalsContact O-CA 3.23Å; W104-G179 WeakPolarHBondContact O-CA 2.97Å; W104-V180 HydrophobicContact CE3-CB 4.32Å; W104-V180 HydrophobicContact CE3-CG2 4.32Å; W104-V180 HydrophobicContact CZ3-CB 4.32Å; W104-V180 HydrophobicContact CZ3-CG2 4.44Å; W104-V180 PolarHBondContact O-N 3.36Å; W104-L182 HydrophobicContact CH2-CD1 4.36Å; W104-L182 HydrophobicContact CZ3-CD1 4.07Å |
| 105 | I | 94.6 | Very high | 95 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 104.9 | 174.5 | -59.2 | 178.4 | 0 | 0 | 0 | 107.8 | Y7 L10 L18 R101 A102 D103 V180 L182 | Y7-I105 HydrophobicContact CD1-CD1 3.45Å; Y7-I105 VanDerWaalsContact CD1-CD1 3.45Å; Y7-I105 HydrophobicContact CE1-CD1 3.57Å; L10-I105 HydrophobicContact CD1-CD1 4.28Å; L18-I105 HydrophobicContact CD1-CD1 4.36Å; R101-I105 HydrophobicContact CG-CB 4.18Å; R101-I105 HydrophobicContact CG-CG2 4.4Å; A102-I105 HydrophobicContact CB-CD1 4.41Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 PolarHBondContact O-N 3.28Å; D103-I105 VanDerWaalsContact C-N 3.34Å; I105-V180 WeakPolarHBondContact CA-O 3.04Å; I105-L182 HydrophobicContact CD1-CD1 4.32Å; I105-L182 HydrophobicContact CG1-CD1 4.29Å; I105-L182 HydrophobicContact CG2-CD1 4.45Å |
| 106 | I | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | trans | -96.4 | 133.8 | -179 | 56.9 | 176.7 | 0 | 0 | 0 | 109.9 | W104 N108 I111 L130 M132 V180 A181 A190 | W104-I106 PolarHBondContact O-N 3.02Å; I106-N108 PolarHBondContact O-N 3.15Å; I106-I111 HydrophobicContact CD1-CD1 3.81Å; I106-I111 HydrophobicContact CD1-CG1 4.24Å; I106-I111 HydrophobicContact CG1-CD1 4.4Å; I106-L130 HydrophobicContact CD1-CD1 3.96Å; I106-M132 HydrophobicContact CG2-CE 3.95Å; I106-M132 HydrophobicContact CG2-SD 3.88Å; I106-V180 PolarHBondContact N-O 2.68Å; I106-A181 HydrophobicContact CG1-CB 4.2Å; I106-A181 VanDerWaalsContact O-CA 3.3Å; I106-A181 WeakPolarHBondContact O-CA 3.45Å; I106-A181 WeakPolarHBondContact O-CB 3.1Å; I106-A190 HydrophobicContact CD1-CB 3.69Å | ||
| 107 | P | 94 | Very high | 94.7 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | trans | -58.4 | 137 | 170 | -25.3 | 34.9 | 0 | 0 | 0 | 111.2 | S109 Y110 | P107-S109 PolarHBondContact O-N 2.88Å; P107-Y110 HydrophobicContact CB-CD1 4.27Å; P107-Y110 HydrophobicContact CB-CD2 4.34Å; P107-Y110 HydrophobicContact CB-CE1 4.39Å; P107-Y110 HydrophobicContact CB-CE2 4.43Å; P107-Y110 HydrophobicContact CB-CG 4.24Å; P107-Y110 HydrophobicContact CG-CD2 4.03Å; P107-Y110 HydrophobicContact CG-CE1 4.35Å; P107-Y110 HydrophobicContact CG-CE2 3.75Å; P107-Y110 HydrophobicContact CG-CG 4.41Å; P107-Y110 WeakPolarHBondContact O-CB 3.38Å; P107-Y110 PolarHBondContact O-N 2.75Å | ||
| 108 | N | 95.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -60.2 | -29.6 | 175.8 | 179.6 | 87.7 | 0 | 0 | 0 | 112.3 | I106 Y110 I111 A181 D183 V184 K188 | I106-N108 PolarHBondContact O-N 3.15Å; N108-Y110 PolarHBondContact O-N 3.23Å; N108-Y110 VanDerWaalsContact O-N 3.12Å; N108-I111 PolarHBondContact O-N 2.93Å; N108-A181 HydrophobicContact CB-CB 4.22Å; N108-D183 VanDerWaalsContact CB-OD1 3.25Å; N108-D183 WeakPolarHBondContact CB-OD1 3.44Å; N108-D183 WeakPolarHBondContact CB-OD2 3.46Å; N108-D183 PolarHBondContact N-OD1 3.23Å; N108-D183 PolarHBondContact N-OD2 3.47Å; N108-D183 VanDerWaalsContact N-OD2 3.16Å; N108-V184 HydrophobicContact CB-CG2 3.55Å; N108-V184 WeakPolarHBondContact OD1-CG2 3.16Å; N108-K188 WeakPolarHBondContact OD1-CD 3.47Å; N108-K188 WeakPolarHBondContact OD1-CE 3.49Å; N108-K188 PolarHBondContact OD1-NZ 2.92Å |
| 109 | S | 94.9 | Very high | 93.8 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61 | -15.8 | 175.6 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | P107 I111 | P107-S109 PolarHBondContact O-N 2.88Å; S109-I111 VanDerWaalsContact C-N 3.33Å |
| 110 | Y | 96.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 30% | 0.302 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -86 | -6.2 | 176 | -65.8 | -2.6 | 0 | 0 | 0 | 113 | P107 N108 L130 K131 M132 P133 | P107-Y110 HydrophobicContact CB-CD1 4.27Å; P107-Y110 HydrophobicContact CB-CD2 4.34Å; P107-Y110 HydrophobicContact CB-CE1 4.39Å; P107-Y110 HydrophobicContact CB-CE2 4.43Å; P107-Y110 HydrophobicContact CB-CG 4.24Å; P107-Y110 HydrophobicContact CG-CD2 4.03Å; P107-Y110 HydrophobicContact CG-CE1 4.35Å; P107-Y110 HydrophobicContact CG-CE2 3.75Å; P107-Y110 HydrophobicContact CG-CG 4.41Å; P107-Y110 WeakPolarHBondContact O-CB 3.38Å; P107-Y110 PolarHBondContact O-N 2.75Å; N108-Y110 PolarHBondContact O-N 3.23Å; N108-Y110 VanDerWaalsContact O-N 3.12Å; Y110-L130 WeakPolarHBondContact O-CA 3.23Å; Y110-K131 PolarHBondContact O-N 3.5Å; Y110-M132 HydrophobicContact CD2-SD 4.02Å; Y110-P133 HydrophobicContact CE2-CG 3.61Å; Y110-P133 VanDerWaalsContact OH-CG 3.25Å; Y110-P133 WeakPolarHBondContact OH-CG 3.26Å |
| 111 | I | 97.6 | Very high | 92 | Very high | 17 Ų | 17 | 63.9 Ų | 63.9 | 9% | 0.087 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.7 | -176.4 | -57.1 | 171.8 | 0 | 0 | 0 | 109.3 | I106 N108 S109 L113 A128 E129 L130 I143 A181 K188 | I106-I111 HydrophobicContact CD1-CD1 3.81Å; I106-I111 HydrophobicContact CD1-CG1 4.24Å; I106-I111 HydrophobicContact CG1-CD1 4.4Å; N108-I111 PolarHBondContact O-N 2.93Å; S109-I111 VanDerWaalsContact C-N 3.33Å; I111-L113 HydrophobicContact CG2-CD2 4.18Å; I111-A128 HydrophobicContact CG2-CB 4.02Å; I111-E129 WeakPolarHBondContact CA-O 3.26Å; I111-L130 HydrophobicContact CG1-CD1 4.06Å; I111-I143 HydrophobicContact CD1-CD1 4.15Å; I111-I143 HydrophobicContact CG2-CD1 3.92Å; I111-I143 HydrophobicContact CG2-CG1 3.92Å; I111-A181 HydrophobicContact CD1-CB 3.84Å; I111-K188 HydrophobicContact CD1-CB 4.47Å; I111-K188 HydrophobicContact CD1-CD 4.19Å |
| 112 | T | 97.9 | Very high | 91.2 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.6 | 171.6 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | A128 E129 | T112-A128 CarbonylContact O-C 3.56Å; T112-A128 WeakPolarHBondContact O-CA 3.31Å; T112-A128 VanDerWaalsContact O-CB 3.26Å; T112-A128 WeakPolarHBondContact O-CB 3.5Å; T112-E129 PolarHBondContact N-O 3.4Å; T112-E129 PolarHBondContact O-N 3.2Å |
| 113 | L | 97.4 | Very high | 90.6 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 137.6 | 179.1 | -58.3 | 176.1 | 0 | 0 | 0 | 110.3 | I111 W126 A128 I143 F145 | I111-L113 HydrophobicContact CG2-CD2 4.18Å; L113-W126 HydrophobicContact CB-CE3 4.07Å; L113-W126 HydrophobicContact CD2-CB 4.08Å; L113-W126 HydrophobicContact CD2-CG 4.5Å; L113-A128 HydrophobicContact CD2-CB 4.12Å; L113-I143 HydrophobicContact CD2-CB 4.33Å; L113-I143 HydrophobicContact CD2-CG1 4.28Å; L113-I143 HydrophobicContact CD2-CG2 4.37Å; L113-F145 HydrophobicContact CD1-CE1 4.44Å; L113-F145 HydrophobicContact CD1-CZ 3.7Å; L113-F145 HydrophobicContact CD2-CE2 4.22Å; L113-F145 HydrophobicContact CD2-CZ 3.76Å; L113-F145 HydrophobicContact CG-CZ 4.39Å |
| 114 | L | 97.3 | Very high | 90.6 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -61.2 | -179.8 | -59.4 | 179.5 | 0 | 0 | 0 | 111.9 | K127 E129 L140 | L114-K127 WeakPolarHBondContact CA-O 3.2Å; L114-K127 HydrophobicContact CB-CG 4.45Å; L114-K127 WeakPolarHBondContact CB-O 3.49Å; L114-K127 HydrophobicContact CD1-CG 4.21Å; L114-K127 PolarHBondContact N-O 2.85Å; L114-E129 HydrophobicContact CD1-CG 3.99Å; L114-L140 HydrophobicContact CD1-CD2 3.81Å |
| 115 | K | 95.6 | Very high | 90.6 | Very high | 147 Ų | 147 | 56.2 Ų | 56.2 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 137.1 | -173 | -174.9 | -175.1 | 173.5 | -178.2 | 0 | 111.4 | I117 W126 K127 | K115-I117 PolarHBondContact O-N 3.1Å; K115-W126 VanDerWaalsContact C-CE3 3.44Å; K115-W126 CarbonylContact O-C 3.51Å; K115-W126 WeakPolarHBondContact O-CA 3.4Å; K115-K127 PolarHBondContact N-O 2.85Å; K115-K127 PolarHBondContact O-N 3.09Å |
| 116 | K | 94.5 | Very high | 90.7 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 127.7 | 168.1 | -174 | 175.1 | 176.3 | 173.7 | 0 | 109.9 | G118 E119 E124 W126 | K116-G118 WeakPolarHBondContact CE-O 3.41Å; K116-E119 IonicContact NZ-OE2 3.77Å; K116-E119 PolarHBondContact NZ-OE2 2.82Å; K116-E124 HydrophobicContact CD-CG 4.41Å; K116-E124 WeakPolarHBondContact CE-OE1 3.27Å; K116-E124 IonicContact NZ-OE1 3.24Å; K116-E124 PolarHBondContact NZ-OE1 2.87Å; K116-W126 HydrophobicContact CB-CD2 4.06Å; K116-W126 HydrophobicContact CB-CE3 4.4Å; K116-W126 HydrophobicContact CB-CH2 4.39Å; K116-W126 HydrophobicContact CB-CZ2 4.05Å; K116-W126 VanDerWaalsContact N-CE3 3.35Å |
| 117 | I | 91.8 | Very high | 90.8 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -13.9 | -178.2 | 59.7 | 174.2 | 0 | 0 | 0 | 113.3 | K115 V125 K127 A142 L193 | K115-I117 PolarHBondContact O-N 3.1Å; I117-V125 HydrophobicContact CD1-CG1 3.98Å; I117-V125 HydrophobicContact CG1-CB 4.24Å; I117-V125 HydrophobicContact CG1-CG1 3.87Å; I117-V125 WeakPolarHBondContact CG1-O 3.46Å; I117-V125 PolarHBondContact N-O 3.25Å; I117-K127 HydrophobicContact CD1-CB 4.49Å; I117-K127 HydrophobicContact CG2-CB 3.73Å; I117-A142 HydrophobicContact CD1-CB 4.11Å; I117-L193 HydrophobicContact CD1-CD1 3.65Å |
| 118 | G | 87.9 | Confident | 91 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K116 V125 | K116-G118 WeakPolarHBondContact CE-O 3.41Å; G118-V125 PolarHBondContact N-O 3.41Å; G118-V125 VanDerWaalsContact N-O 3.11Å; G118-V125 PolarHBondContact O-N 2.85Å |
| 119 | E | 86.8 | Confident | 91.1 | Very high | 134 Ų | 134 | 62.3 Ų | 62.3 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 128.3 | 173.6 | -173.3 | 168.5 | 162.7 | 0 | 0 | 107.7 | K116 | K116-E119 IonicContact NZ-OE2 3.77Å; K116-E119 PolarHBondContact NZ-OE2 2.82Å |
| 120 | G | 75.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -171.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F122 G123 | G120-F122 VanDerWaalsContact C-N 3.27Å; G120-F122 PolarHBondContact O-N 2.99Å; G120-G123 PolarHBondContact N-O 2.98Å; G120-G123 PolarHBondContact O-N 2.81Å |
| 121 | T | 74.1 | Confident | 91.3 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -44 | -176.5 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | K147 | T121-K147 VanDerWaalsContact O-CE 3.24Å; T121-K147 WeakPolarHBondContact O-CE 3.28Å; T121-K147 PolarHBondContact O-NZ 2.88Å |
| 122 | F | 72.5 | Confident | 91.1 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.5 | -176.5 | -58.2 | -68.9 | 0 | 0 | 0 | 115 | G120 F145 K147 T158 F159 E162 | G120-F122 VanDerWaalsContact C-N 3.27Å; G120-F122 PolarHBondContact O-N 2.99Å; F122-F145 CarbonylContact C-O 3.38Å; F122-K147 VanDerWaalsContact C-CG 3.49Å; F122-K147 WeakPolarHBondContact O-CG 3.36Å; F122-K147 PolarHBondContact O-N 2.75Å; F122-T158 HydrophobicContact CZ-CG2 3.95Å; F122-F159 HydrophobicContact CB-CD2 4.15Å; F122-F159 HydrophobicContact CD1-CB 4.1Å; F122-F159 HydrophobicContact CD1-CD2 4.48Å; F122-F159 HydrophobicContact CD2-CD2 4.48Å; F122-F159 HydrophobicContact CE1-CB 4.21Å; F122-F159 HydrophobicContact CG-CD2 4.12Å; F122-E162 WeakPolarHBondContact CE2-OE2 3.37Å |
| 123 | G | 80.1 | Confident | 90.7 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130 | -162.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G120 | G120-G123 PolarHBondContact N-O 2.98Å; G120-G123 PolarHBondContact O-N 2.81Å |
| 124 | E | 91.2 | Very high | 90.3 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 154 | -173.9 | -53 | -172.6 | 133.6 | 0 | 0 | 111.9 | K116 W126 F145 | K116-E124 HydrophobicContact CD-CG 4.41Å; K116-E124 WeakPolarHBondContact CE-OE1 3.27Å; K116-E124 IonicContact NZ-OE1 3.24Å; K116-E124 PolarHBondContact NZ-OE1 2.87Å; E124-W126 PolarHBondContact OE2-NE1 3.34Å; E124-F145 WeakPolarHBondContact O-CD2 3.49Å; E124-F145 PolarHBondContact O-N 3.23Å; E124-F145 VanDerWaalsContact O-N 3.07Å |
| 125 | V | 93.1 | Very high | 90 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.2 | 169.7 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | I117 G118 A142 I143 K144 | I117-V125 HydrophobicContact CD1-CG1 3.98Å; I117-V125 HydrophobicContact CG1-CB 4.24Å; I117-V125 HydrophobicContact CG1-CG1 3.87Å; I117-V125 WeakPolarHBondContact CG1-O 3.46Å; I117-V125 PolarHBondContact N-O 3.25Å; G118-V125 PolarHBondContact N-O 3.41Å; G118-V125 VanDerWaalsContact N-O 3.11Å; G118-V125 PolarHBondContact O-N 2.85Å; V125-A142 HydrophobicContact CG1-CB 4.18Å; V125-I143 CarbonylContact C-O 3.59Å; V125-I143 VanDerWaalsContact CA-O 3.28Å; V125-I143 WeakPolarHBondContact CA-O 3.1Å; V125-K144 HydrophobicContact CG2-CB 4.38Å; V125-K144 HydrophobicContact CG2-CG 4.2Å |
| 126 | W | 95.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.9 | -176.6 | -72.5 | 67.3 | 0 | 0 | 0 | 111.4 | L113 K115 K116 E124 A142 I143 F145 | L113-W126 HydrophobicContact CB-CE3 4.07Å; L113-W126 HydrophobicContact CD2-CB 4.08Å; L113-W126 HydrophobicContact CD2-CG 4.5Å; K115-W126 VanDerWaalsContact C-CE3 3.44Å; K115-W126 CarbonylContact O-C 3.51Å; K115-W126 WeakPolarHBondContact O-CA 3.4Å; K116-W126 HydrophobicContact CB-CD2 4.06Å; K116-W126 HydrophobicContact CB-CE3 4.4Å; K116-W126 HydrophobicContact CB-CH2 4.39Å; K116-W126 HydrophobicContact CB-CZ2 4.05Å; K116-W126 VanDerWaalsContact N-CE3 3.35Å; E124-W126 PolarHBondContact OE2-NE1 3.34Å; W126-A142 CarbonylContact O-C 3.51Å; W126-A142 WeakPolarHBondContact O-CA 3.38Å; W126-I143 PolarHBondContact N-O 3.43Å; W126-I143 PolarHBondContact O-N 2.86Å; W126-F145 HydrophobicContact CB-CE2 3.98Å; W126-F145 AromaticContact CD1-CD2 3.75Å; W126-F145 AromaticContact CD1-CE2 3.21Å; W126-F145 AromaticContact CG-CE2 3.69Å; W126-F145 HydrophobicContact CG-CE2 3.69Å; W126-F145 HydrophobicContact CG-CZ 4.35Å; W126-F145 AromaticContact NE1-CE2 3.93Å |
| 127 | K | 96.8 | Very high | 89.8 | Confident | 71 Ų | 71 | 71 Ų | 71 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.1 | 159.4 | 177.3 | 173.6 | -177.7 | 174.7 | 0 | 108.5 | L114 K115 I117 L193 | L114-K127 WeakPolarHBondContact CA-O 3.2Å; L114-K127 HydrophobicContact CB-CG 4.45Å; L114-K127 WeakPolarHBondContact CB-O 3.49Å; L114-K127 HydrophobicContact CD1-CG 4.21Å; L114-K127 PolarHBondContact N-O 2.85Å; K115-K127 PolarHBondContact N-O 2.85Å; K115-K127 PolarHBondContact O-N 3.09Å; I117-K127 HydrophobicContact CD1-CB 4.49Å; I117-K127 HydrophobicContact CG2-CB 3.73Å; K127-L193 HydrophobicContact CB-CD1 4.43Å; K127-L193 HydrophobicContact CD-CD2 3.85Å; K127-L193 HydrophobicContact CG-CD1 4.45Å; K127-L193 HydrophobicContact CG-CD2 3.84Å |
| 128 | A | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | I111 T112 L113 L140 V141 I143 | I111-A128 HydrophobicContact CG2-CB 4.02Å; T112-A128 CarbonylContact O-C 3.56Å; T112-A128 WeakPolarHBondContact O-CA 3.31Å; T112-A128 VanDerWaalsContact O-CB 3.26Å; T112-A128 WeakPolarHBondContact O-CB 3.5Å; L113-A128 HydrophobicContact CD2-CB 4.12Å; A128-L140 WeakPolarHBondContact O-CA 3.48Å; A128-V141 HydrophobicContact CB-CG2 4.03Å; A128-V141 PolarHBondContact N-O 3.18Å; A128-V141 PolarHBondContact O-N 2.84Å; A128-I143 HydrophobicContact CB-CD1 4.33Å; A128-I143 HydrophobicContact CB-CG1 3.44Å; A128-I143 VanDerWaalsContact CB-CG1 3.44Å |
| 129 | E | 98.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134 | 164.9 | -79.7 | 175.1 | -173.9 | 0 | 0 | 110.2 | I111 T112 L114 P138 L140 | I111-E129 WeakPolarHBondContact CA-O 3.26Å; T112-E129 PolarHBondContact N-O 3.4Å; T112-E129 PolarHBondContact O-N 3.2Å; L114-E129 HydrophobicContact CD1-CG 3.99Å; E129-P138 HydrophobicContact CB-CB 3.88Å; E129-P138 HydrophobicContact CG-CB 4.03Å; E129-L140 HydrophobicContact CG-CD2 3.85Å |
| 130 | L | 97.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.2 | 172.7 | 178.4 | 64 | 0 | 0 | 0 | 109.6 | I106 Y110 I111 M132 P138 T139 V141 K178 | I106-L130 HydrophobicContact CD1-CD1 3.96Å; Y110-L130 WeakPolarHBondContact O-CA 3.23Å; I111-L130 HydrophobicContact CG1-CD1 4.06Å; L130-M132 HydrophobicContact CD1-SD 4.09Å; L130-M132 HydrophobicContact CD2-CG 4.21Å; L130-M132 HydrophobicContact CD2-SD 4.34Å; L130-M132 HydrophobicContact CG-CG 4.06Å; L130-M132 HydrophobicContact CG-SD 4.24Å; L130-P138 WeakPolarHBondContact O-CA 3.45Å; L130-T139 PolarHBondContact N-O 3.31Å; L130-T139 PolarHBondContact O-N 3.34Å; L130-V141 HydrophobicContact CB-CG1 3.85Å; L130-V141 HydrophobicContact CB-CG2 3.88Å; L130-V141 HydrophobicContact CD2-CG1 4.09Å; L130-K178 HydrophobicContact CD2-CB 4.31Å |
| 131 | K | 97.1 | Very high | 91.9 | Very high | 129 Ų | 129 | 66.9 Ų | 66.9 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | trans | -102.9 | 89.4 | 178.2 | -171.1 | 177.3 | -178.4 | 176.8 | 0 | 110.7 | Y110 P138 | Y110-K131 PolarHBondContact O-N 3.5Å; K131-P138 HydrophobicContact CB-CB 4.45Å; K131-P138 HydrophobicContact CB-CG 4.43Å | ||
| 132 | M | 92.9 | Very high | 93 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | trans | -77.3 | 146.4 | 173.5 | -63.8 | -63.7 | -82.5 | 0 | 0 | 110.5 | I106 Y110 L130 K134 N135 | I106-M132 HydrophobicContact CG2-CE 3.95Å; I106-M132 HydrophobicContact CG2-SD 3.88Å; Y110-M132 HydrophobicContact CD2-SD 4.02Å; L130-M132 HydrophobicContact CD1-SD 4.09Å; L130-M132 HydrophobicContact CD2-CG 4.21Å; L130-M132 HydrophobicContact CD2-SD 4.34Å; L130-M132 HydrophobicContact CG-CG 4.06Å; L130-M132 HydrophobicContact CG-SD 4.24Å; M132-K134 PolarHBondContact O-N 3Å; M132-K134 VanDerWaalsContact O-N 3.11Å; M132-N135 PolarHBondContact O-N 3.04Å | ||
| 133 | P | 90 | Very high | 94.1 | Very high | 95 Ų | 95 | 62.8 Ų | 62.8 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.6 | -178 | -27 | 35.6 | 0 | 0 | 0 | 114.4 | Y110 N135 | Y110-P133 HydrophobicContact CE2-CG 3.61Å; Y110-P133 VanDerWaalsContact OH-CG 3.25Å; Y110-P133 WeakPolarHBondContact OH-CG 3.26Å; P133-N135 VanDerWaalsContact C-N 3.33Å |
| 134 | K | 89 | Confident | 94.8 | Very high | 191 Ų | 191 | 62.8 Ų | 62.8 | 83% | 0.83 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -12.3 | 179.9 | -61.6 | -177.3 | -178.9 | 177.7 | 0 | 113.3 | M132 | M132-K134 PolarHBondContact O-N 3Å; M132-K134 VanDerWaalsContact O-N 3.11Å |
| 135 | N | 90.3 | Very high | 94.8 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | trans | -100.6 | 132.3 | -176 | -65.5 | 4.8 | 0 | 0 | 0 | 109.7 | M132 P133 F137 T139 | M132-N135 PolarHBondContact O-N 3.04Å; P133-N135 VanDerWaalsContact C-N 3.33Å; N135-F137 VanDerWaalsContact C-N 3.33Å; N135-F137 WeakPolarHBondContact CB-O 3.48Å; N135-T139 PolarHBondContact ND2-OG1 3.44Å | ||
| 136 | V | 92.4 | Very high | 94.6 | Very high | 125 Ų | 125 | 60 Ų | 60 | 76% | 0.758 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -65.7 | -41 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 137 | F | 93.9 | Very high | 94 | Very high | 159 Ų | 159 | 61.5 Ų | 61.5 | 70% | 0.697 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -116.5 | 147.8 | -178.7 | -58.3 | -74.2 | 0 | 0 | 0 | 111.6 | N135 | N135-F137 VanDerWaalsContact C-N 3.33Å; N135-F137 WeakPolarHBondContact CB-O 3.48Å |
| 138 | P | 95.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144.2 | 170 | -18.7 | 30.9 | 0 | 0 | 0 | 111.3 | E129 L130 K131 | E129-P138 HydrophobicContact CB-CB 3.88Å; E129-P138 HydrophobicContact CG-CB 4.03Å; L130-P138 WeakPolarHBondContact O-CA 3.45Å; K131-P138 HydrophobicContact CB-CB 4.45Å; K131-P138 HydrophobicContact CB-CG 4.43Å |
| 139 | T | 96.4 | Very high | 92 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.7 | 173 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | L130 N135 | L130-T139 PolarHBondContact N-O 3.31Å; L130-T139 PolarHBondContact O-N 3.34Å; N135-T139 PolarHBondContact ND2-OG1 3.44Å |
| 140 | L | 97.5 | Very high | 90.7 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134 | 172.9 | -68.5 | 176.1 | 0 | 0 | 0 | 110.9 | L114 A128 E129 L193 | L114-L140 HydrophobicContact CD1-CD2 3.81Å; A128-L140 WeakPolarHBondContact O-CA 3.48Å; E129-L140 HydrophobicContact CG-CD2 3.85Å; L140-L193 HydrophobicContact CB-CD2 3.97Å; L140-L193 HydrophobicContact CD1-CD2 4.46Å |
| 141 | V | 97.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.7 | -178.1 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | A128 L130 I143 K178 M191 | A128-V141 HydrophobicContact CB-CG2 4.03Å; A128-V141 PolarHBondContact N-O 3.18Å; A128-V141 PolarHBondContact O-N 2.84Å; L130-V141 HydrophobicContact CB-CG1 3.85Å; L130-V141 HydrophobicContact CB-CG2 3.88Å; L130-V141 HydrophobicContact CD2-CG1 4.09Å; V141-I143 HydrophobicContact CG2-CD1 3.72Å; V141-I143 HydrophobicContact CG2-CG1 4.18Å; V141-K178 HydrophobicContact CG1-CG 4.13Å; V141-M191 WeakPolarHBondContact CA-O 3.48Å; V141-M191 VanDerWaalsContact CB-O 3.25Å; V141-M191 WeakPolarHBondContact CB-O 3.4Å |
| 142 | A | 96.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I117 V125 W126 A190 M191 L193 | I117-A142 HydrophobicContact CD1-CB 4.11Å; V125-A142 HydrophobicContact CG1-CB 4.18Å; W126-A142 CarbonylContact O-C 3.51Å; W126-A142 WeakPolarHBondContact O-CA 3.38Å; A142-A190 WeakPolarHBondContact O-CA 3.47Å; A142-M191 HydrophobicContact CB-CG 3.66Å; A142-M191 HydrophobicContact CB-SD 4.29Å; A142-M191 PolarHBondContact N-O 2.86Å; A142-M191 WeakPolarHBondContact O-CG 3.32Å; A142-M191 PolarHBondContact O-N 2.71Å; A142-L193 HydrophobicContact CB-CD1 4.05Å |
| 143 | I | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.1 | -179.9 | -59.3 | -60.1 | 0 | 0 | 0 | 108.5 | I111 L113 V125 W126 A128 V141 F145 K188 L189 A190 | I111-I143 HydrophobicContact CD1-CD1 4.15Å; I111-I143 HydrophobicContact CG2-CD1 3.92Å; I111-I143 HydrophobicContact CG2-CG1 3.92Å; L113-I143 HydrophobicContact CD2-CB 4.33Å; L113-I143 HydrophobicContact CD2-CG1 4.28Å; L113-I143 HydrophobicContact CD2-CG2 4.37Å; V125-I143 CarbonylContact C-O 3.59Å; V125-I143 VanDerWaalsContact CA-O 3.28Å; V125-I143 WeakPolarHBondContact CA-O 3.1Å; W126-I143 PolarHBondContact N-O 3.43Å; W126-I143 PolarHBondContact O-N 2.86Å; A128-I143 HydrophobicContact CB-CD1 4.33Å; A128-I143 HydrophobicContact CB-CG1 3.44Å; A128-I143 VanDerWaalsContact CB-CG1 3.44Å; V141-I143 HydrophobicContact CG2-CD1 3.72Å; V141-I143 HydrophobicContact CG2-CG1 4.18Å; I143-F145 HydrophobicContact CB-CE2 4.2Å; I143-F145 HydrophobicContact CG2-CD2 4.04Å; I143-F145 HydrophobicContact CG2-CE2 3.59Å; I143-F145 HydrophobicContact CG2-CZ 3.99Å; I143-K188 HydrophobicContact CG2-CB 3.74Å; I143-K188 HydrophobicContact CG2-CD 4.02Å; I143-K188 HydrophobicContact CG2-CG 3.83Å; I143-L189 WeakPolarHBondContact CA-O 3.3Å; I143-A190 HydrophobicContact CD1-CB 3.61Å |
| 144 | K | 93.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.8 | 172.9 | -172.3 | 175.1 | -173 | -176.3 | 0 | 109.2 | V125 E162 L189 M191 | V125-K144 HydrophobicContact CG2-CB 4.38Å; V125-K144 HydrophobicContact CG2-CG 4.2Å; K144-E162 IonicContact NZ-OE1 2.68Å; K144-E162 PolarHBondContact NZ-OE1 2.84Å; K144-E162 IonicContact NZ-OE2 3.35Å; K144-E162 PolarHBondContact NZ-OE2 2.88Å; K144-L189 HydrophobicContact CB-CB 4.37Å; K144-L189 PolarHBondContact N-O 3.43Å; K144-L189 PolarHBondContact O-N 2.76Å; K144-M191 HydrophobicContact CB-CE 3.78Å; K144-M191 HydrophobicContact CD-CE 4.09Å |
| 145 | F | 92.2 | Very high | 87.8 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 147.6 | -178.3 | -70 | -105.3 | 0 | 0 | 0 | 110.5 | L113 F122 E124 W126 I143 P186 K188 | L113-F145 HydrophobicContact CD1-CE1 4.44Å; L113-F145 HydrophobicContact CD1-CZ 3.7Å; L113-F145 HydrophobicContact CD2-CE2 4.22Å; L113-F145 HydrophobicContact CD2-CZ 3.76Å; L113-F145 HydrophobicContact CG-CZ 4.39Å; F122-F145 CarbonylContact C-O 3.38Å; E124-F145 WeakPolarHBondContact O-CD2 3.49Å; E124-F145 PolarHBondContact O-N 3.23Å; E124-F145 VanDerWaalsContact O-N 3.07Å; W126-F145 HydrophobicContact CB-CE2 3.98Å; W126-F145 AromaticContact CD1-CD2 3.75Å; W126-F145 AromaticContact CD1-CE2 3.21Å; W126-F145 AromaticContact CG-CE2 3.69Å; W126-F145 HydrophobicContact CG-CE2 3.69Å; W126-F145 HydrophobicContact CG-CZ 4.35Å; W126-F145 AromaticContact NE1-CE2 3.93Å; I143-F145 HydrophobicContact CB-CE2 4.2Å; I143-F145 HydrophobicContact CG2-CD2 4.04Å; I143-F145 HydrophobicContact CG2-CE2 3.59Å; I143-F145 HydrophobicContact CG2-CZ 3.99Å; F145-P186 HydrophobicContact CD1-CB 4.05Å; F145-P186 HydrophobicContact CD1-CG 3.41Å; F145-P186 VanDerWaalsContact CD1-CG 3.41Å; F145-P186 HydrophobicContact CE1-CG 3.86Å; F145-K188 HydrophobicContact CD1-CG 4.13Å; F145-K188 HydrophobicContact CE1-CD 4.18Å; F145-K188 HydrophobicContact CE1-CG 4.04Å; F145-K188 HydrophobicContact CZ-CD 4.46Å |
| 146 | L | 88.9 | Confident | 87.6 | Confident | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 122.2 | 158.5 | 179.9 | 61.5 | 0 | 0 | 0 | 108.1 | V151 K156 F159 Y160 P186 V187 | L146-V151 HydrophobicContact CD1-CG1 4.37Å; L146-K156 HydrophobicContact CD2-CG 4.21Å; L146-F159 HydrophobicContact CB-CD1 4.24Å; L146-F159 HydrophobicContact CB-CD2 4.19Å; L146-F159 HydrophobicContact CB-CE1 4.21Å; L146-F159 HydrophobicContact CB-CE2 4.13Å; L146-F159 HydrophobicContact CB-CG 4.23Å; L146-F159 HydrophobicContact CB-CZ 4.14Å; L146-F159 HydrophobicContact CD1-CB 3.79Å; L146-F159 HydrophobicContact CD1-CD1 4.37Å; L146-F159 HydrophobicContact CD1-CD2 4.14Å; L146-F159 HydrophobicContact CD1-CG 3.84Å; L146-F159 HydrophobicContact CD2-CD1 4.13Å; L146-F159 HydrophobicContact CD2-CG 4.43Å; L146-F159 HydrophobicContact CG-CD1 4.49Å; L146-F159 HydrophobicContact CG-CG 4.39Å; L146-Y160 HydrophobicContact CD2-CE2 4.49Å; L146-P186 VanDerWaalsContact O-CB 3.3Å; L146-P186 WeakPolarHBondContact O-CB 3.5Å; L146-V187 HydrophobicContact CB-CB 4.24Å; L146-V187 HydrophobicContact CD2-CB 4.43Å; L146-V187 PolarHBondContact N-O 3.26Å |
| 147 | K | 82.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -48 | 144.7 | -178.7 | -53.9 | -169 | 173.8 | 154.8 | 0 | 111.6 | T121 F122 V151 | T121-K147 VanDerWaalsContact O-CE 3.24Å; T121-K147 WeakPolarHBondContact O-CE 3.28Å; T121-K147 PolarHBondContact O-NZ 2.88Å; F122-K147 VanDerWaalsContact C-CG 3.49Å; F122-K147 WeakPolarHBondContact O-CG 3.36Å; F122-K147 PolarHBondContact O-N 2.75Å; K147-V151 HydrophobicContact CB-CG2 3.61Å; K147-V151 WeakPolarHBondContact O-CG2 3.05Å |
| 148 | L | 79.8 | Confident | 87 | Confident | 105 Ų | 105 | 59 Ų | 59 | 55% | 0.55 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 159.8 | 171.3 | -70.2 | 176 | 0 | 0 | 0 | 111.2 | E185 P186 | L148-E185 HydrophobicContact CD2-CB 3.75Å; L148-E185 HydrophobicContact CD2-CG 3.99Å; L148-P186 HydrophobicContact CD2-CB 3.76Å; L148-P186 HydrophobicContact CD2-CG 4.4Å; L148-P186 HydrophobicContact CG-CB 3.94Å; L148-P186 HydrophobicContact CG-CG 4.33Å |
| 149 | G | 74.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 90.7 | -145.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V151 | G149-V151 PolarHBondContact O-N 2.87Š|
| 150 | N | 69.2 | Low | 86.5 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 92% | 0.92 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.6 | 48 | -174.6 | -69.9 | -17.7 | 0 | 0 | 0 | 112.8 | P152 | N150-P152 WeakPolarHBondContact O-CD 3.37Š|
| 151 | V | 74 | Confident | 86.1 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | trans | -64.5 | 122.7 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | L146 K147 G149 L153 E155 K156 | L146-V151 HydrophobicContact CD1-CG1 4.37Å; K147-V151 HydrophobicContact CB-CG2 3.61Å; K147-V151 WeakPolarHBondContact O-CG2 3.05Å; G149-V151 PolarHBondContact O-N 2.87Å; V151-L153 PolarHBondContact O-N 3.07Å; V151-E155 HydrophobicContact CG1-CB 3.63Å; V151-K156 HydrophobicContact CB-CG 4.03Å; V151-K156 HydrophobicContact CG1-CG 3.67Å; V151-K156 WeakPolarHBondContact O-CE 3.45Å | ||
| 152 | P | 82.3 | Confident | 85.6 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | trans | -51.1 | 141.6 | 177.3 | -27.8 | 35.3 | 0 | 0 | 0 | 111.4 | N150 A154 E155 K156 | N150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.09Å; P152-E155 HydrophobicContact CB-CG 4.41Å; P152-E155 HydrophobicContact CG-CG 4.44Å; P152-E155 PolarHBondContact O-N 2.96Å; P152-K156 PolarHBondContact O-N 2.86Å; P152-K156 VanDerWaalsContact O-N 3.07Å | ||
| 153 | L | 83.3 | Confident | 85.4 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.1 | -32.1 | 177.8 | -72.5 | 171.6 | 0 | 0 | 0 | 112.3 | R31 V151 K157 | R31-L153 VanDerWaalsContact NH2-CD2 3.34Å; V151-L153 PolarHBondContact O-N 3.07Å; L153-K157 WeakPolarHBondContact O-CB 3.25Å; L153-K157 PolarHBondContact O-N 3.02Å |
| 154 | A | 84.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 55% | 0.554 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P152 K157 T158 | P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.09Å; A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 PolarHBondContact O-N 2.65Å; A154-T158 PolarHBondContact O-N 2.91Å; A154-T158 PolarHBondContact O-OG1 2.81Å |
| 155 | E | 82.6 | Confident | 84.9 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 178.2 | -73.4 | 179.6 | -143.5 | 0 | 0 | 112 | V151 P152 K157 T158 F159 | V151-E155 HydrophobicContact CG1-CB 3.63Å; P152-E155 HydrophobicContact CB-CG 4.41Å; P152-E155 HydrophobicContact CG-CG 4.44Å; P152-E155 PolarHBondContact O-N 2.96Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 2.89Å; E155-T158 PolarHBondContact O-N 2.82Å; E155-F159 PolarHBondContact O-N 3.25Å |
| 156 | K | 86 | Confident | 84.9 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 27% | 0.274 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 173.4 | -64.8 | -166.5 | -178.9 | -177.7 | 0 | 110.7 | L146 V151 P152 F159 Y160 | L146-K156 HydrophobicContact CD2-CG 4.21Å; V151-K156 HydrophobicContact CB-CG 4.03Å; V151-K156 HydrophobicContact CG1-CG 3.67Å; V151-K156 WeakPolarHBondContact O-CE 3.45Å; P152-K156 PolarHBondContact O-N 2.86Å; P152-K156 VanDerWaalsContact O-N 3.07Å; K156-F159 PolarHBondContact O-N 2.87Å; K156-Y160 WeakPolarHBondContact O-CD2 3.48Å; K156-Y160 PolarHBondContact O-N 2.86Å; K156-Y160 VanDerWaalsContact O-N 3.15Å |
| 157 | K | 87.5 | Confident | 85.1 | Confident | 135 Ų | 135 | 62.7 Ų | 62.7 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.1 | -47.5 | 176.7 | -176.5 | -174.8 | 173.9 | -173.2 | 0 | 110.9 | L153 A154 E155 F159 Y160 D161 | L153-K157 WeakPolarHBondContact O-CB 3.25Å; L153-K157 PolarHBondContact O-N 3.02Å; A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 PolarHBondContact O-N 2.65Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 2.89Å; K157-F159 VanDerWaalsContact C-N 3.33Å; K157-F159 PolarHBondContact O-N 3.47Å; K157-Y160 PolarHBondContact O-N 2.96Å; K157-D161 VanDerWaalsContact O-CG 3.24Å; K157-D161 PolarHBondContact O-N 2.81Å |
| 158 | T | 87.4 | Confident | 85.5 | Confident | 65 Ų | 65 | 64 Ų | 64 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 179.8 | -44.5 | 0 | 0 | 0 | 0 | 112.3 | F122 A154 E155 D161 E162 | F122-T158 HydrophobicContact CZ-CG2 3.95Å; A154-T158 PolarHBondContact O-N 2.91Å; A154-T158 PolarHBondContact O-OG1 2.81Å; E155-T158 PolarHBondContact O-N 2.82Å; T158-D161 PolarHBondContact O-N 3.24Å; T158-E162 WeakPolarHBondContact O-CB 3.39Å; T158-E162 PolarHBondContact O-N 3.11Å |
| 159 | F | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174 | 177.5 | -88.4 | 0 | 0 | 0 | 112.3 | F122 L146 E155 K156 K157 E162 C163 V187 L189 | F122-F159 HydrophobicContact CB-CD2 4.15Å; F122-F159 HydrophobicContact CD1-CB 4.1Å; F122-F159 HydrophobicContact CD1-CD2 4.48Å; F122-F159 HydrophobicContact CD2-CD2 4.48Å; F122-F159 HydrophobicContact CE1-CB 4.21Å; F122-F159 HydrophobicContact CG-CD2 4.12Å; L146-F159 HydrophobicContact CB-CD1 4.24Å; L146-F159 HydrophobicContact CB-CD2 4.19Å; L146-F159 HydrophobicContact CB-CE1 4.21Å; L146-F159 HydrophobicContact CB-CE2 4.13Å; L146-F159 HydrophobicContact CB-CG 4.23Å; L146-F159 HydrophobicContact CB-CZ 4.14Å; L146-F159 HydrophobicContact CD1-CB 3.79Å; L146-F159 HydrophobicContact CD1-CD1 4.37Å; L146-F159 HydrophobicContact CD1-CD2 4.14Å; L146-F159 HydrophobicContact CD1-CG 3.84Å; L146-F159 HydrophobicContact CD2-CD1 4.13Å; L146-F159 HydrophobicContact CD2-CG 4.43Å; L146-F159 HydrophobicContact CG-CD1 4.49Å; L146-F159 HydrophobicContact CG-CG 4.39Å; E155-F159 PolarHBondContact O-N 3.25Å; K156-F159 PolarHBondContact O-N 2.87Å; K157-F159 VanDerWaalsContact C-N 3.33Å; K157-F159 PolarHBondContact O-N 3.47Å; F159-E162 WeakPolarHBondContact O-CB 3.47Å; F159-E162 PolarHBondContact O-N 2.82Å; F159-C163 VanDerWaalsContact CE1-SG 3.58Å; F159-C163 PolarHBondContact O-N 3.22Å; F159-C163 PolarHBondContact O-SG 2.99Å; F159-V187 HydrophobicContact CE1-CG1 3.66Å; F159-V187 HydrophobicContact CZ-CG1 4.19Å; F159-L189 HydrophobicContact CE2-CB 4.14Å; F159-L189 HydrophobicContact CZ-CB 3.75Å |
| 160 | Y | 91.3 | Very high | 87.1 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 12% | 0.122 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 176.7 | -71.4 | -64.1 | 0 | 0 | 0 | 112.4 | H9 P11 L146 K156 K157 E162 C163 R164 L182 V187 | H9-Y160 PolarHBondContact O-OH 2.66Å; H9-Y160 VanDerWaalsContact O-OH 3.09Å; P11-Y160 HydrophobicContact CG-CD1 3.43Å; P11-Y160 VanDerWaalsContact CG-CD1 3.43Å; P11-Y160 HydrophobicContact CG-CD2 3.54Å; P11-Y160 HydrophobicContact CG-CE1 3.54Å; P11-Y160 HydrophobicContact CG-CE2 3.66Å; P11-Y160 HydrophobicContact CG-CG 3.44Å; P11-Y160 VanDerWaalsContact CG-CG 3.44Å; L146-Y160 HydrophobicContact CD2-CE2 4.49Å; K156-Y160 WeakPolarHBondContact O-CD2 3.48Å; K156-Y160 PolarHBondContact O-N 2.86Å; K156-Y160 VanDerWaalsContact O-N 3.15Å; K157-Y160 PolarHBondContact O-N 2.96Å; Y160-E162 VanDerWaalsContact C-N 3.35Å; Y160-C163 PolarHBondContact O-N 2.91Å; Y160-R164 WeakPolarHBondContact O-CG 3.46Å; Y160-R164 PolarHBondContact O-N 3.07Å; Y160-L182 HydrophobicContact CE1-CD2 3.86Å; Y160-V187 HydrophobicContact CE1-CG1 4.39Å |
| 161 | D | 89.1 | Confident | 88.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 173.5 | -67.9 | -21.9 | 0 | 0 | 0 | 111.7 | K157 T158 R164 R165 | K157-D161 VanDerWaalsContact O-CG 3.24Å; K157-D161 PolarHBondContact O-N 2.81Å; T158-D161 PolarHBondContact O-N 3.24Å; D161-R164 PolarHBondContact O-N 3.09Å; D161-R164 IonicContact OD1-CZ 3.52Å; D161-R164 IonicContact OD1-NH1 2.81Å; D161-R164 PolarHBondContact OD1-NH1 3.36Å; D161-R165 WeakPolarHBondContact O-CB 3.26Å; D161-R165 WeakPolarHBondContact O-CG 3.32Å; D161-R165 PolarHBondContact O-N 3.2Å; D161-R165 PolarHBondContact O-NE 2.75Å |
| 162 | E | 86.9 | Confident | 89.3 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 170.3 | 179.5 | -179.8 | 165.2 | 0 | 0 | 111.1 | F122 K144 T158 F159 Y160 R164 R165 M166 I238 | F122-E162 WeakPolarHBondContact CE2-OE2 3.37Å; K144-E162 IonicContact NZ-OE1 2.68Å; K144-E162 PolarHBondContact NZ-OE1 2.84Å; K144-E162 IonicContact NZ-OE2 3.35Å; K144-E162 PolarHBondContact NZ-OE2 2.88Å; T158-E162 WeakPolarHBondContact O-CB 3.39Å; T158-E162 PolarHBondContact O-N 3.11Å; F159-E162 WeakPolarHBondContact O-CB 3.47Å; F159-E162 PolarHBondContact O-N 2.82Å; Y160-E162 VanDerWaalsContact C-N 3.35Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-R165 PolarHBondContact O-N 3.15Å; E162-M166 HydrophobicContact CG-CG 4.42Å; E162-M166 HydrophobicContact CG-SD 4.13Å; E162-M166 WeakPolarHBondContact O-CG 3.35Å; E162-M166 PolarHBondContact O-N 3.4Å; E162-I238 HydrophobicContact CB-CG2 4.47Å; E162-I238 HydrophobicContact CG-CG2 3.65Å |
| 163 | C | 92.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | F159 Y160 R167 V180 | F159-C163 VanDerWaalsContact CE1-SG 3.58Å; F159-C163 PolarHBondContact O-N 3.22Å; F159-C163 PolarHBondContact O-SG 2.99Å; Y160-C163 PolarHBondContact O-N 2.91Å; C163-R167 WeakPolarHBondContact O-CB 3.43Å; C163-R167 PolarHBondContact O-N 3.06Å; C163-V180 HydrophobicContact CB-CG2 4.07Å |
| 164 | R | 91.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 179.4 | -73.1 | 177.5 | -161.2 | 121 | 2.7 | 112 | D14 Y160 D161 E162 | D14-R164 IonicContact OD1-CZ 3.25Å; D14-R164 IonicContact OD1-NE 2.65Å; D14-R164 PolarHBondContact OD1-NE 2.98Å; D14-R164 IonicContact OD1-NH2 3.72Å; D14-R164 IonicContact OD2-CZ 3.4Å; D14-R164 IonicContact OD2-NE 3.94Å; D14-R164 PolarHBondContact OD2-NE 3.18Å; D14-R164 IonicContact OD2-NH2 3.34Å; D14-R164 PolarHBondContact OD2-NH2 2.97Å; Y160-R164 WeakPolarHBondContact O-CG 3.46Å; Y160-R164 PolarHBondContact O-N 3.07Å; D161-R164 PolarHBondContact O-N 3.09Å; D161-R164 IonicContact OD1-CZ 3.52Å; D161-R164 IonicContact OD1-NH1 2.81Å; D161-R164 PolarHBondContact OD1-NH1 3.36Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.48Å |
| 165 | R | 89.6 | Confident | 90.7 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 28% | 0.275 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -56.2 | 176.4 | -74.8 | -176.8 | -69.5 | 157.7 | -1.5 | 110.7 | D161 E162 R167 Q168 L169 | D161-R165 WeakPolarHBondContact O-CB 3.26Å; D161-R165 WeakPolarHBondContact O-CG 3.32Å; D161-R165 PolarHBondContact O-N 3.2Å; D161-R165 PolarHBondContact O-NE 2.75Å; E162-R165 PolarHBondContact O-N 3.15Å; R165-R167 PolarHBondContact O-N 2.77Å; R165-R167 VanDerWaalsContact O-N 3.11Å; R165-Q168 WeakPolarHBondContact O-CB 3.37Å; R165-Q168 PolarHBondContact O-N 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.18Å |
| 166 | M | 92.5 | Very high | 91.3 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -32.5 | -178.8 | -68.7 | -172.5 | 78.3 | 0 | 0 | 113.2 | E162 Q168 L169 R170 V175 F177 L189 M191 | E162-M166 HydrophobicContact CG-CG 4.42Å; E162-M166 HydrophobicContact CG-SD 4.13Å; E162-M166 WeakPolarHBondContact O-CG 3.35Å; E162-M166 PolarHBondContact O-N 3.4Å; M166-Q168 PolarHBondContact O-N 2.86Å; M166-L169 PolarHBondContact O-N 3Å; M166-R170 PolarHBondContact O-NH1 3.3Å; M166-V175 HydrophobicContact CE-CB 4.37Å; M166-V175 HydrophobicContact CE-CG1 4.15Å; M166-F177 HydrophobicContact CB-CB 4.09Å; M166-F177 HydrophobicContact CB-CD2 4.03Å; M166-F177 HydrophobicContact CB-CG 4.47Å; M166-F177 VanDerWaalsContact O-CB 3.26Å; M166-F177 WeakPolarHBondContact O-CB 3.43Å; M166-L189 HydrophobicContact SD-CD2 3.85Å; M166-M191 HydrophobicContact CE-CB 4.35Å |
| 167 | R | 92.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 57.4 Ų | 57.4 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -33.7 | 176.8 | -172.1 | 176.7 | 67.1 | -172.2 | -0.7 | 112.6 | W104 C163 R165 R170 F177 | W104-R167 VanDerWaalsContact CZ2-NH1 3.29Å; C163-R167 WeakPolarHBondContact O-CB 3.43Å; C163-R167 PolarHBondContact O-N 3.06Å; R165-R167 PolarHBondContact O-N 2.77Å; R165-R167 VanDerWaalsContact O-N 3.11Å; R167-R170 PolarHBondContact O-NH1 2.87Å; R167-R170 PolarHBondContact O-NH2 3.38Å; R167-F177 HydrophobicContact CB-CD1 4.35Å; R167-F177 HydrophobicContact CB-CE1 4.31Å; R167-F177 HydrophobicContact CB-CG 4.47Å; R167-F177 HydrophobicContact CB-CZ 4.37Å; R167-F177 HydrophobicContact CG-CD1 4.34Å; R167-F177 HydrophobicContact CG-CE1 4.08Å; R167-F177 HydrophobicContact CG-CZ 4.43Å |
| 168 | Q | 91 | Very high | 92.2 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -84 | -24.3 | -178.1 | -64.3 | 167.3 | -18.5 | 0 | 0 | 112.8 | R165 M166 | R165-Q168 WeakPolarHBondContact O-CB 3.37Å; R165-Q168 PolarHBondContact O-N 3.33Å; M166-Q168 PolarHBondContact O-N 2.86Å |
| 169 | L | 92.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | trans | -79.3 | 129.8 | -173.2 | -57.3 | 176.4 | 0 | 0 | 0 | 112.6 | R165 M166 V174 Y226 L227 E230 | R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.18Å; M166-L169 PolarHBondContact O-N 3Å; L169-V174 HydrophobicContact CB-CG1 4.19Å; L169-V174 HydrophobicContact CD1-CG1 4.07Å; L169-Y226 HydrophobicContact CB-CE1 4.18Å; L169-Y226 HydrophobicContact CD2-CE1 3.93Å; L169-L227 HydrophobicContact CD1-CD2 3.65Å; L169-L227 HydrophobicContact CD2-CD2 3.96Å; L169-L227 HydrophobicContact CG-CD2 4.4Å; L169-E230 HydrophobicContact CD2-CB 3.98Å; L169-E230 HydrophobicContact CD2-CG 4.06Å | ||
| 170 | R | 93.8 | Very high | 93 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | trans | -142.4 | 98.3 | 176.2 | -63.9 | -64.7 | 179.6 | -93.5 | -10 | 110.3 | M166 R167 Y226 | M166-R170 PolarHBondContact O-NH1 3.3Å; R167-R170 PolarHBondContact O-NH1 2.87Å; R167-R170 PolarHBondContact O-NH2 3.38Å; R170-Y226 PolarHBondContact N-OH 3.39Å | ||
| 171 | H | 95.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | trans | -154.2 | 148.6 | 178.6 | -172.5 | -96.5 | 0 | 0 | 0 | 110.8 | N173 V174 Y226 | H171-N173 PolarHBondContact CE1-OD1 3.26Å; H171-N173 PolarHBondContact ND1-N 3.06Å; H171-N173 PolarHBondContact O-N 2.9Å; H171-V174 HydrophobicContact CB-CB 4.1Å; H171-V174 HydrophobicContact CB-CG2 3.97Å; H171-V174 PolarHBondContact O-N 3.36Å; H171-V174 VanDerWaalsContact O-O 3.12Å; H171-Y226 HydrophobicContact CB-CD1 3.45Å; H171-Y226 VanDerWaalsContact CB-CD1 3.45Å; H171-Y226 HydrophobicContact CB-CD2 4.16Å; H171-Y226 HydrophobicContact CB-CE1 3.7Å; H171-Y226 HydrophobicContact CB-CE2 4.41Å; H171-Y226 HydrophobicContact CB-CG 3.69Å; H171-Y226 AromaticContact CD2-CD2 3.96Å; H171-Y226 AromaticContact CD2-CG 3.77Å; H171-Y226 AromaticContact CG-CD1 3.96Å; H171-Y226 AromaticContact CG-CG 3.75Å | ||
| 172 | E | 94.7 | Very high | 93.5 | Very high | 142 Ų | 142 | 47.5 Ų | 47.5 | 66% | 0.664 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -25.4 | -177.7 | 59.1 | 170.5 | -175.8 | 0 | 0 | 113.9 | R222 | E172-R222 IonicContact OE1-NH1 3.69Š|
| 173 | N | 93.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 21.3 | 178.9 | -49.3 | 130.3 | 0 | 0 | 0 | 113 | H171 H219 R222 | H171-N173 PolarHBondContact CE1-OD1 3.26Å; H171-N173 PolarHBondContact ND1-N 3.06Å; H171-N173 PolarHBondContact O-N 2.9Å; N173-H219 WeakPolarHBondContact CB-O 3.35Å; N173-H219 VanDerWaalsContact CG-O 3.29Å; N173-H219 PolarHBondContact OD1-O 3.5Å; N173-R222 WeakPolarHBondContact OD1-CB 3.32Å |
| 174 | V | 93.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -131.6 | 131.4 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | L169 H171 R176 Y226 L227 | L169-V174 HydrophobicContact CB-CG1 4.19Å; L169-V174 HydrophobicContact CD1-CG1 4.07Å; H171-V174 HydrophobicContact CB-CB 4.1Å; H171-V174 HydrophobicContact CB-CG2 3.97Å; H171-V174 PolarHBondContact O-N 3.36Å; H171-V174 VanDerWaalsContact O-O 3.12Å; V174-R176 PolarHBondContact O-N 2.94Å; V174-R176 VanDerWaalsContact O-N 3.07Å; V174-Y226 HydrophobicContact CG2-CD1 3.97Å; V174-L227 HydrophobicContact CG1-CD2 4.24Å; V174-L227 HydrophobicContact CG2-CD2 4.17Å; V174-L227 HydrophobicContact CG2-CG 4.16Å |
| 175 | V | 93.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | trans | -53.5 | 115 | -177.6 | 179 | 0 | 0 | 0 | 0 | 111.2 | M166 F177 M191 E192 M239 | M166-V175 HydrophobicContact CE-CB 4.37Å; M166-V175 HydrophobicContact CE-CG1 4.15Å; V175-F177 PolarHBondContact O-N 3.5Å; V175-M191 HydrophobicContact CG1-CB 3.92Å; V175-M191 HydrophobicContact CG1-CG 4.2Å; V175-M191 HydrophobicContact CG1-SD 4.18Å; V175-E192 WeakPolarHBondContact CA-OE1 3.36Å; V175-E192 HydrophobicContact CG1-CG 3.82Å; V175-M239 HydrophobicContact CG2-SD 4.19Å | ||
| 176 | R | 94.7 | Very high | 93.6 | Very high | 134 Ų | 134 | 51.7 Ų | 51.7 | 51% | 0.506 | 24% | 0.239 | S | C | . | . | trans | -71.1 | 121.5 | -176.7 | -173.4 | 170.1 | 179 | 175 | 4.3 | 112 | V174 M191 E192 | V174-R176 PolarHBondContact O-N 2.94Å; V174-R176 VanDerWaalsContact O-N 3.07Å; R176-M191 CarbonylContact O-C 3.59Å; R176-M191 WeakPolarHBondContact O-CA 3.36Å; R176-E192 HydrophobicContact CB-CB 4.25Å; R176-E192 HydrophobicContact CB-CG 4.07Å; R176-E192 WeakPolarHBondContact CB-OE2 3.17Å; R176-E192 PolarHBondContact N-OE1 3.2Å; R176-E192 PolarHBondContact O-N 3.35Å | ||
| 177 | F | 95.7 | Very high | 93.7 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136.3 | 166.6 | 176.8 | -89.4 | 0 | 0 | 0 | 112 | W104 M166 R167 V175 V180 L189 | W104-F177 HydrophobicContact CB-CE1 3.74Å; W104-F177 HydrophobicContact CB-CZ 4.06Å; M166-F177 HydrophobicContact CB-CB 4.09Å; M166-F177 HydrophobicContact CB-CD2 4.03Å; M166-F177 HydrophobicContact CB-CG 4.47Å; M166-F177 VanDerWaalsContact O-CB 3.26Å; M166-F177 WeakPolarHBondContact O-CB 3.43Å; R167-F177 HydrophobicContact CB-CD1 4.35Å; R167-F177 HydrophobicContact CB-CE1 4.31Å; R167-F177 HydrophobicContact CB-CG 4.47Å; R167-F177 HydrophobicContact CB-CZ 4.37Å; R167-F177 HydrophobicContact CG-CD1 4.34Å; R167-F177 HydrophobicContact CG-CE1 4.08Å; R167-F177 HydrophobicContact CG-CZ 4.43Å; V175-F177 PolarHBondContact O-N 3.5Å; F177-V180 HydrophobicContact CE2-CG2 3.7Å; F177-V180 HydrophobicContact CZ-CG2 3.82Å; F177-L189 HydrophobicContact CD2-CD1 3.65Å; F177-L189 HydrophobicContact CE2-CD1 3.57Å |
| 178 | K | 96.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 48 Ų | 48 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -32.4 | 177.3 | -59.6 | -69.1 | -178.2 | 170.1 | 0 | 113.3 | L130 V141 A190 | L130-K178 HydrophobicContact CD2-CB 4.31Å; V141-K178 HydrophobicContact CG1-CG 4.13Å; K178-A190 WeakPolarHBondContact CA-O 3.24Å; K178-A190 HydrophobicContact CB-CB 4.05Å; K178-A190 WeakPolarHBondContact CB-O 3.15Å; K178-A190 PolarHBondContact N-O 2.94Å |
| 179 | G | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W104 A190 | W104-G179 CarbonylContact O-C 3.55Å; W104-G179 VanDerWaalsContact O-CA 3.23Å; W104-G179 WeakPolarHBondContact O-CA 2.97Å; G179-A190 PolarHBondContact N-O 3.32Å; G179-A190 PolarHBondContact O-N 2.98Å |
| 180 | V | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.9 | 171.6 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | W104 I105 I106 C163 F177 L182 V187 K188 L189 | W104-V180 HydrophobicContact CE3-CB 4.32Å; W104-V180 HydrophobicContact CE3-CG2 4.32Å; W104-V180 HydrophobicContact CZ3-CB 4.32Å; W104-V180 HydrophobicContact CZ3-CG2 4.44Å; W104-V180 PolarHBondContact O-N 3.36Å; I105-V180 WeakPolarHBondContact CA-O 3.04Å; I106-V180 PolarHBondContact N-O 2.68Å; C163-V180 HydrophobicContact CB-CG2 4.07Å; F177-V180 HydrophobicContact CE2-CG2 3.7Å; F177-V180 HydrophobicContact CZ-CG2 3.82Å; V180-L182 HydrophobicContact CB-CG 4.48Å; V180-L182 HydrophobicContact CG1-CD2 3.67Å; V180-L182 HydrophobicContact CG1-CG 3.85Å; V180-V187 HydrophobicContact CG1-CG1 3.9Å; V180-K188 CarbonylContact C-O 3.49Å; V180-K188 VanDerWaalsContact CA-O 3.27Å; V180-K188 WeakPolarHBondContact CA-O 3.44Å; V180-K188 WeakPolarHBondContact CG1-O 3.45Å; V180-L189 HydrophobicContact CG2-CD1 4.24Å |
| 181 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I106 N108 I111 V187 K188 | I106-A181 HydrophobicContact CG1-CB 4.2Å; I106-A181 VanDerWaalsContact O-CA 3.3Å; I106-A181 WeakPolarHBondContact O-CA 3.45Å; I106-A181 WeakPolarHBondContact O-CB 3.1Å; N108-A181 HydrophobicContact CB-CB 4.22Å; I111-A181 HydrophobicContact CD1-CB 3.84Å; A181-V187 WeakPolarHBondContact O-CA 3.35Å; A181-K188 HydrophobicContact CB-CB 4.15Å; A181-K188 PolarHBondContact N-O 3.33Å; A181-K188 PolarHBondContact O-N 2.94Å; A181-K188 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | -121.9 | -11.3 | -171 | -64.6 | 168.9 | 0 | 0 | 0 | 113 | G8 H9 L10 W104 I105 Y160 V180 V184 V187 | G8-L182 CarbonylContact C-O 3.57Å; G8-L182 VanDerWaalsContact CA-O 3.3Å; G8-L182 WeakPolarHBondContact CA-O 3.36Å; H9-L182 PolarHBondContact CD2-O 3.07Å; H9-L182 VanDerWaalsContact CD2-O 3.3Å; H9-L182 PolarHBondContact N-O 2.76Å; L10-L182 HydrophobicContact CB-CD1 4.21Å; L10-L182 HydrophobicContact CD1-CD1 3.65Å; W104-L182 HydrophobicContact CH2-CD1 4.36Å; W104-L182 HydrophobicContact CZ3-CD1 4.07Å; I105-L182 HydrophobicContact CD1-CD1 4.32Å; I105-L182 HydrophobicContact CG1-CD1 4.29Å; I105-L182 HydrophobicContact CG2-CD1 4.45Å; Y160-L182 HydrophobicContact CE1-CD2 3.86Å; V180-L182 HydrophobicContact CB-CG 4.48Å; V180-L182 HydrophobicContact CG1-CD2 3.67Å; V180-L182 HydrophobicContact CG1-CG 3.85Å; L182-V184 VanDerWaalsContact C-N 3.34Å; L182-V184 PolarHBondContact O-N 3.24Å; L182-V187 HydrophobicContact CD2-CG1 3.72Å; L182-V187 HydrophobicContact CD2-CG2 4.14Å | ||
| 183 | D | 92.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 23% | 0.225 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -72.3 | -25.9 | -172.1 | 54.4 | -42.1 | 0 | 0 | 0 | 113.5 | N108 | N108-D183 VanDerWaalsContact CB-OD1 3.25Å; N108-D183 WeakPolarHBondContact CB-OD1 3.44Å; N108-D183 WeakPolarHBondContact CB-OD2 3.46Å; N108-D183 PolarHBondContact N-OD1 3.23Å; N108-D183 PolarHBondContact N-OD2 3.47Å; N108-D183 VanDerWaalsContact N-OD2 3.16Å |
| 184 | V | 90.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 35% | 0.345 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -132.6 | 155.1 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | N108 L182 P186 | N108-V184 HydrophobicContact CB-CG2 3.55Å; N108-V184 WeakPolarHBondContact OD1-CG2 3.16Å; L182-V184 VanDerWaalsContact C-N 3.34Å; L182-V184 PolarHBondContact O-N 3.24Å; V184-P186 CarbonylContact O-C 3.51Å |
| 185 | E | 89.2 | Confident | 93.6 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -86.5 | 147.7 | 167.6 | -102.3 | 174.4 | -171.5 | 0 | 0 | 110.5 | H9 L148 | H9-E185 VanDerWaalsContact CE1-CG 3.49Å; H9-E185 WeakPolarHBondContact CE1-CG 3.39Å; H9-E185 IonicContact CE1-OE1 2.81Å; H9-E185 PolarHBondContact CE1-OE1 3.11Å; H9-E185 IonicContact ND1-OE1 2.75Å; H9-E185 PolarHBondContact ND1-OE1 2.96Å; H9-E185 IonicContact NE2-OE1 3.86Å; L148-E185 HydrophobicContact CD2-CB 3.75Å; L148-E185 HydrophobicContact CD2-CG 3.99Å |
| 186 | P | 91.3 | Very high | 93 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | S | Bend | cis | -66.8 | 149.8 | -13 | 26.4 | -33.5 | 0 | 0 | 0 | 112.2 | F145 L146 L148 V184 K188 | F145-P186 HydrophobicContact CD1-CB 4.05Å; F145-P186 HydrophobicContact CD1-CG 3.41Å; F145-P186 VanDerWaalsContact CD1-CG 3.41Å; F145-P186 HydrophobicContact CE1-CG 3.86Å; L146-P186 VanDerWaalsContact O-CB 3.3Å; L146-P186 WeakPolarHBondContact O-CB 3.5Å; L148-P186 HydrophobicContact CD2-CB 3.76Å; L148-P186 HydrophobicContact CD2-CG 4.4Å; L148-P186 HydrophobicContact CG-CB 3.94Å; L148-P186 HydrophobicContact CG-CG 4.33Å; V184-P186 CarbonylContact O-C 3.51Å; P186-K188 PolarHBondContact O-NZ 3.18Å |
| 187 | V | 93.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 141.5 | 171.1 | 169.8 | 0 | 0 | 0 | 0 | 109.6 | H9 L146 F159 Y160 V180 A181 L182 | H9-V187 HydrophobicContact CB-CG2 3.66Å; L146-V187 HydrophobicContact CB-CB 4.24Å; L146-V187 HydrophobicContact CD2-CB 4.43Å; L146-V187 PolarHBondContact N-O 3.26Å; F159-V187 HydrophobicContact CE1-CG1 3.66Å; F159-V187 HydrophobicContact CZ-CG1 4.19Å; Y160-V187 HydrophobicContact CE1-CG1 4.39Å; V180-V187 HydrophobicContact CG1-CG1 3.9Å; A181-V187 WeakPolarHBondContact O-CA 3.35Å; L182-V187 HydrophobicContact CD2-CG1 3.72Å; L182-V187 HydrophobicContact CD2-CG2 4.14Å |
| 188 | K | 95 | Very high | 91.9 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.1 | -173 | -64.6 | 171.3 | -169.8 | 71.7 | 0 | 110.9 | N108 I111 I143 F145 V180 A181 P186 | N108-K188 WeakPolarHBondContact OD1-CD 3.47Å; N108-K188 WeakPolarHBondContact OD1-CE 3.49Å; N108-K188 PolarHBondContact OD1-NZ 2.92Å; I111-K188 HydrophobicContact CD1-CB 4.47Å; I111-K188 HydrophobicContact CD1-CD 4.19Å; I143-K188 HydrophobicContact CG2-CB 3.74Å; I143-K188 HydrophobicContact CG2-CD 4.02Å; I143-K188 HydrophobicContact CG2-CG 3.83Å; F145-K188 HydrophobicContact CD1-CG 4.13Å; F145-K188 HydrophobicContact CE1-CD 4.18Å; F145-K188 HydrophobicContact CE1-CG 4.04Å; F145-K188 HydrophobicContact CZ-CD 4.46Å; V180-K188 CarbonylContact C-O 3.49Å; V180-K188 VanDerWaalsContact CA-O 3.27Å; V180-K188 WeakPolarHBondContact CA-O 3.44Å; V180-K188 WeakPolarHBondContact CG1-O 3.45Å; A181-K188 HydrophobicContact CB-CB 4.15Å; A181-K188 PolarHBondContact N-O 3.33Å; A181-K188 PolarHBondContact O-N 2.94Å; A181-K188 VanDerWaalsContact O-N 3.1Å; P186-K188 PolarHBondContact O-NZ 3.18Å |
| 189 | L | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.8 | 166.9 | 168.3 | 61.5 | 0 | 0 | 0 | 108.7 | I143 K144 F159 M166 F177 V180 M191 | I143-L189 WeakPolarHBondContact CA-O 3.3Å; K144-L189 HydrophobicContact CB-CB 4.37Å; K144-L189 PolarHBondContact N-O 3.43Å; K144-L189 PolarHBondContact O-N 2.76Å; F159-L189 HydrophobicContact CE2-CB 4.14Å; F159-L189 HydrophobicContact CZ-CB 3.75Å; M166-L189 HydrophobicContact SD-CD2 3.85Å; F177-L189 HydrophobicContact CD2-CD1 3.65Å; F177-L189 HydrophobicContact CE2-CD1 3.57Å; V180-L189 HydrophobicContact CG2-CD1 4.24Å; L189-M191 HydrophobicContact CD2-CE 3.67Å; L189-M191 HydrophobicContact CG-CE 3.87Å |
| 190 | A | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I106 A142 I143 K178 G179 | I106-A190 HydrophobicContact CD1-CB 3.69Å; A142-A190 WeakPolarHBondContact O-CA 3.47Å; I143-A190 HydrophobicContact CD1-CB 3.61Å; K178-A190 WeakPolarHBondContact CA-O 3.24Å; K178-A190 HydrophobicContact CB-CB 4.05Å; K178-A190 WeakPolarHBondContact CB-O 3.15Å; K178-A190 PolarHBondContact N-O 2.94Å; G179-A190 PolarHBondContact N-O 3.32Å; G179-A190 PolarHBondContact O-N 2.98Å |
| 191 | M | 96.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164.6 | 178.1 | 65.3 | -170.9 | 66.4 | 0 | 0 | 110 | V141 A142 K144 M166 V175 R176 L189 | V141-M191 WeakPolarHBondContact CA-O 3.48Å; V141-M191 VanDerWaalsContact CB-O 3.25Å; V141-M191 WeakPolarHBondContact CB-O 3.4Å; A142-M191 HydrophobicContact CB-CG 3.66Å; A142-M191 HydrophobicContact CB-SD 4.29Å; A142-M191 PolarHBondContact N-O 2.86Å; A142-M191 WeakPolarHBondContact O-CG 3.32Å; A142-M191 PolarHBondContact O-N 2.71Å; K144-M191 HydrophobicContact CB-CE 3.78Å; K144-M191 HydrophobicContact CD-CE 4.09Å; M166-M191 HydrophobicContact CE-CB 4.35Å; V175-M191 HydrophobicContact CG1-CB 3.92Å; V175-M191 HydrophobicContact CG1-CG 4.2Å; V175-M191 HydrophobicContact CG1-SD 4.18Å; R176-M191 CarbonylContact O-C 3.59Å; R176-M191 WeakPolarHBondContact O-CA 3.36Å; L189-M191 HydrophobicContact CD2-CE 3.67Å; L189-M191 HydrophobicContact CG-CE 3.87Å |
| 192 | E | 95.3 | Very high | 89.9 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 144.1 | 171.1 | 69.5 | -174.7 | 163.4 | 0 | 0 | 111.5 | V175 R176 | V175-E192 WeakPolarHBondContact CA-OE1 3.36Å; V175-E192 HydrophobicContact CG1-CG 3.82Å; R176-E192 HydrophobicContact CB-CB 4.25Å; R176-E192 HydrophobicContact CB-CG 4.07Å; R176-E192 WeakPolarHBondContact CB-OE2 3.17Å; R176-E192 PolarHBondContact N-OE1 3.2Å; R176-E192 PolarHBondContact O-N 3.35Å |
| 193 | L | 95.4 | Very high | 89.6 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 118.6 | 173.5 | -177 | 67.7 | 0 | 0 | 0 | 108.3 | I117 K127 L140 A142 | I117-L193 HydrophobicContact CD1-CD1 3.65Å; K127-L193 HydrophobicContact CB-CD1 4.43Å; K127-L193 HydrophobicContact CD-CD2 3.85Å; K127-L193 HydrophobicContact CG-CD1 4.45Å; K127-L193 HydrophobicContact CG-CD2 3.84Å; L140-L193 HydrophobicContact CB-CD2 3.97Å; L140-L193 HydrophobicContact CD1-CD2 4.46Å; A142-L193 HydrophobicContact CB-CD1 4.05Å |
| 194 | C | 91.4 | Very high | 89.5 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 142.8 | 166 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 195 | D | 81.5 | Confident | 89.3 | Confident | 157 Ų | 157 | 68 Ų | 68 | 84% | 0.84 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -59 | -52.9 | -175.2 | -66.4 | -41.9 | 0 | 0 | 0 | 112.1 | ||
| 196 | N | 79 | Confident | 89.1 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -143.2 | 152.7 | 178.8 | -73.5 | -44.5 | 0 | 0 | 0 | 110.6 | Y200 E205 | N196-Y200 HydrophobicContact CB-CD1 3.92Å; N196-E205 PolarHBondContact ND2-OE1 3.07Å |
| 197 | S | 83.1 | Confident | 89 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | trans | -68.7 | 149.3 | 168.9 | 74.2 | 0 | 0 | 0 | 0 | 110 | I199 Y200 H201 | S197-I199 PolarHBondContact O-N 3.38Å; S197-Y200 PolarHBondContact O-N 3.2Å; S197-Y200 VanDerWaalsContact OG-CB 3.29Å; S197-Y200 WeakPolarHBondContact OG-CB 3.37Å; S197-Y200 PolarHBondContact OG-N 3.38Å; S197-Y200 VanDerWaalsContact OG-N 3.07Å; S197-H201 PolarHBondContact O-N 2.97Å | ||
| 198 | M | 84.1 | Confident | 88.8 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.1 | -39.8 | 176.2 | -175.8 | 61.7 | 71.2 | 0 | 0 | 111.3 | H201 L202 Y216 | M198-H201 PolarHBondContact O-N 2.93Å; M198-L202 HydrophobicContact CG-CD1 3.84Å; M198-L202 HydrophobicContact CG-CG 4.31Å; M198-L202 WeakPolarHBondContact O-CB 3.47Å; M198-L202 WeakPolarHBondContact O-CG 3.43Å; M198-L202 PolarHBondContact O-N 3.21Å; M198-L202 HydrophobicContact SD-CD1 4.09Å; M198-L202 HydrophobicContact SD-CD2 4.49Å; M198-L202 HydrophobicContact SD-CG 4.09Å; M198-Y216 HydrophobicContact CE-CD1 4.44Å; M198-Y216 HydrophobicContact CE-CD2 3.88Å; M198-Y216 HydrophobicContact CE-CE2 4.47Å; M198-Y216 HydrophobicContact CE-CG 3.86Å; M198-Y216 HydrophobicContact SD-CD2 3.71Å; M198-Y216 HydrophobicContact SD-CE2 4.08Å; M198-Y216 HydrophobicContact SD-CG 4.32Å |
| 199 | I | 83.8 | Confident | 88.7 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 176.9 | -66.1 | 168.1 | 0 | 0 | 0 | 111.2 | S197 K203 | S197-I199 PolarHBondContact O-N 3.38Å; I199-K203 HydrophobicContact CG2-CD 3.98Å; I199-K203 WeakPolarHBondContact O-CB 3.26Å; I199-K203 VanDerWaalsContact O-CG 3.32Å; I199-K203 WeakPolarHBondContact O-CG 3.45Å; I199-K203 PolarHBondContact O-N 3.46Å; I199-K203 VanDerWaalsContact O-N 3.17Å |
| 200 | Y | 85.9 | Confident | 88.6 | Confident | 113 Ų | 113 | 78 Ų | 78 | 44% | 0.443 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 178.1 | -178.2 | -87.7 | 0 | 0 | 0 | 111.1 | N196 S197 L202 K203 N204 | N196-Y200 HydrophobicContact CB-CD1 3.92Å; S197-Y200 PolarHBondContact O-N 3.2Å; S197-Y200 VanDerWaalsContact OG-CB 3.29Å; S197-Y200 WeakPolarHBondContact OG-CB 3.37Å; S197-Y200 PolarHBondContact OG-N 3.38Å; S197-Y200 VanDerWaalsContact OG-N 3.07Å; Y200-L202 PolarHBondContact O-N 3.05Å; Y200-K203 PolarHBondContact O-N 3.39Å; Y200-N204 HydrophobicContact CD1-CB 4.47Å; Y200-N204 VanDerWaalsContact CD2-ND2 3.26Å; Y200-N204 WeakPolarHBondContact CD2-ND2 3.48Å; Y200-N204 HydrophobicContact CE1-CB 4.11Å; Y200-N204 HydrophobicContact CE2-CB 4.3Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.38Å; Y200-N204 WeakPolarHBondContact O-CB 3.29Å; Y200-N204 PolarHBondContact O-N 3.31Å; Y200-N204 PolarHBondContact O-ND2 3.02Å |
| 201 | H | 86.3 | Confident | 88.5 | Confident | 28 Ų | 28 | 84.8 Ų | 84.8 | 13% | 0.13 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 178.2 | 175 | 71.2 | 0 | 0 | 0 | 111.3 | S197 M198 K203 E205 Y216 | S197-H201 PolarHBondContact O-N 2.97Å; M198-H201 PolarHBondContact O-N 2.93Å; H201-K203 VanDerWaalsContact C-N 3.28Å; H201-K203 PolarHBondContact O-N 3.07Å; H201-E205 IonicContact CE1-OE2 3.24Å; H201-E205 PolarHBondContact CE1-OE2 3.16Å; H201-E205 VanDerWaalsContact CE1-OE2 3.24Å; H201-E205 IonicContact CG-OE2 3.92Å; H201-E205 VanDerWaalsContact ND1-CD 3.25Å; H201-E205 IonicContact ND1-OE1 3.74Å; H201-E205 IonicContact ND1-OE2 2.7Å; H201-E205 PolarHBondContact ND1-OE2 2.7Å; H201-E205 WeakPolarHBondContact O-CB 3.44Å; H201-E205 PolarHBondContact O-N 3.24Å; H201-E205 VanDerWaalsContact O-N 3.16Å; H201-Y216 AromaticContact CD2-CE2 3.68Å; H201-Y216 AromaticContact CD2-CZ 3.98Å; H201-Y216 PolarHBondContact CE1-OH 3.49Å; H201-Y216 AromaticContact NE2-CE2 3.54Å; H201-Y216 AromaticContact NE2-CZ 3.52Å; H201-Y216 PolarHBondContact NE2-OH 2.96Å |
| 202 | L | 87.7 | Confident | 88.4 | Confident | 86 Ų | 86 | 90.7 Ų | 90.7 | 45% | 0.45 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -25.1 | -179.3 | -68 | 174.2 | 0 | 0 | 0 | 114.1 | M198 Y200 V208 | M198-L202 HydrophobicContact CG-CD1 3.84Å; M198-L202 HydrophobicContact CG-CG 4.31Å; M198-L202 WeakPolarHBondContact O-CB 3.47Å; M198-L202 WeakPolarHBondContact O-CG 3.43Å; M198-L202 PolarHBondContact O-N 3.21Å; M198-L202 HydrophobicContact SD-CD1 4.09Å; M198-L202 HydrophobicContact SD-CD2 4.49Å; M198-L202 HydrophobicContact SD-CG 4.09Å; Y200-L202 PolarHBondContact O-N 3.05Å; L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.88Å |
| 203 | K | 88.7 | Confident | 88.2 | Confident | 163 Ų | 163 | 93 Ų | 93 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -91.7 | -34.3 | -179.2 | -74.9 | -178.5 | 176.2 | -177.4 | 0 | 113.7 | I199 Y200 H201 | I199-K203 HydrophobicContact CG2-CD 3.98Å; I199-K203 WeakPolarHBondContact O-CB 3.26Å; I199-K203 VanDerWaalsContact O-CG 3.32Å; I199-K203 WeakPolarHBondContact O-CG 3.45Å; I199-K203 PolarHBondContact O-N 3.46Å; I199-K203 VanDerWaalsContact O-N 3.17Å; Y200-K203 PolarHBondContact O-N 3.39Å; H201-K203 VanDerWaalsContact C-N 3.28Å; H201-K203 PolarHBondContact O-N 3.07Å |
| 204 | N | 90.2 | Very high | 88.2 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -116.5 | -19.8 | -164.8 | -58.4 | -78.1 | 0 | 0 | 0 | 114.6 | Y200 | Y200-N204 HydrophobicContact CD1-CB 4.47Å; Y200-N204 VanDerWaalsContact CD2-ND2 3.26Å; Y200-N204 WeakPolarHBondContact CD2-ND2 3.48Å; Y200-N204 HydrophobicContact CE1-CB 4.11Å; Y200-N204 HydrophobicContact CE2-CB 4.3Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.38Å; Y200-N204 WeakPolarHBondContact O-CB 3.29Å; Y200-N204 PolarHBondContact O-N 3.31Å; Y200-N204 PolarHBondContact O-ND2 3.02Å |
| 205 | E | 86.6 | Confident | 88.4 | Confident | 101 Ų | 101 | 96.2 Ų | 96.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -97 | 16.1 | -175 | -63.6 | -174.9 | -159 | 0 | 0 | 113.7 | N196 H201 | N196-E205 PolarHBondContact ND2-OE1 3.07Å; H201-E205 IonicContact CE1-OE2 3.24Å; H201-E205 PolarHBondContact CE1-OE2 3.16Å; H201-E205 VanDerWaalsContact CE1-OE2 3.24Å; H201-E205 IonicContact CG-OE2 3.92Å; H201-E205 VanDerWaalsContact ND1-CD 3.25Å; H201-E205 IonicContact ND1-OE1 3.74Å; H201-E205 IonicContact ND1-OE2 2.7Å; H201-E205 PolarHBondContact ND1-OE2 2.7Å; H201-E205 WeakPolarHBondContact O-CB 3.44Å; H201-E205 PolarHBondContact O-N 3.24Å; H201-E205 VanDerWaalsContact O-N 3.16Å |
| 206 | G | 84.3 | Confident | 89 | Confident | 39 Ų | 39 | 91.1 Ų | 91.1 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | trans | 82.7 | -178 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V208 | G206-V208 PolarHBondContact O-N 3.45Š| ||
| 207 | P | 88.4 | Confident | 89.8 | Confident | 140 Ų | 140 | 91.2 Ų | 91.2 | 91% | 0.909 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 127.3 | -175.2 | 26.5 | -33.4 | 0 | 0 | 0 | 111.8 | ||
| 208 | V | 89.2 | Confident | 90.4 | Very high | 16 Ų | 16 | 90.5 Ų | 90.5 | 10% | 0.097 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 128.1 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | L202 G206 R212 K213 Y216 | L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.88Å; G206-V208 PolarHBondContact O-N 3.45Å; V208-R212 HydrophobicContact CG1-CB 3.41Å; V208-R212 VanDerWaalsContact CG1-CB 3.41Å; V208-K213 HydrophobicContact CB-CG 4.1Å; V208-K213 HydrophobicContact CG1-CG 3.8Å; V208-K213 WeakPolarHBondContact O-CE 3.44Å; V208-Y216 HydrophobicContact CG1-CE2 3.87Å; V208-Y216 HydrophobicContact CG2-CE2 4.44Å |
| 209 | S | 93.3 | Very high | 91 | Very high | 54 Ų | 54 | 90 Ų | 90 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.3 | 178.3 | 72.1 | 0 | 0 | 0 | 0 | 112 | I211 R212 K213 | S209-I211 PolarHBondContact O-N 3.3Å; S209-R212 PolarHBondContact O-N 2.85Å; S209-R212 VanDerWaalsContact O-N 3.12Å; S209-R212 PolarHBondContact OG-N 2.9Å; S209-K213 PolarHBondContact O-N 3.44Å |
| 210 | P | 93.3 | Very high | 91.5 | Very high | 102 Ų | 102 | 88.9 Ų | 88.9 | 66% | 0.662 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -52.8 | -41 | 177.2 | -28.2 | 35.8 | 0 | 0 | 0 | 113.3 | R212 K213 T214 | P210-R212 PolarHBondContact O-N 2.74Å; P210-K213 PolarHBondContact O-N 3.2Å; P210-T214 PolarHBondContact O-N 2.93Å; P210-T214 PolarHBondContact O-OG1 3.22Å; P210-T214 VanDerWaalsContact O-OG1 3.11Å |
| 211 | I | 95.3 | Very high | 92 | Very high | 142 Ų | 142 | 86.2 Ų | 86.2 | 73% | 0.728 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 178.9 | -61.1 | 173 | 0 | 0 | 0 | 111.3 | S209 T214 L215 | S209-I211 PolarHBondContact O-N 3.3Å; I211-T214 WeakPolarHBondContact O-CB 3.29Å; I211-T214 PolarHBondContact O-N 3.26Å; I211-L215 PolarHBondContact O-N 3.49Å |
| 212 | R | 93.3 | Very high | 92.5 | Very high | 149 Ų | 149 | 90.4 Ų | 90.4 | 56% | 0.562 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 177.6 | -80 | -172.3 | -179.4 | 178.4 | 0.6 | 111.9 | V208 S209 P210 T214 L215 Y216 | V208-R212 HydrophobicContact CG1-CB 3.41Å; V208-R212 VanDerWaalsContact CG1-CB 3.41Å; S209-R212 PolarHBondContact O-N 2.85Å; S209-R212 VanDerWaalsContact O-N 3.12Å; S209-R212 PolarHBondContact OG-N 2.9Å; P210-R212 PolarHBondContact O-N 2.74Å; R212-T214 VanDerWaalsContact C-N 3.34Å; R212-T214 PolarHBondContact O-N 3.46Å; R212-L215 WeakPolarHBondContact O-CB 3.28Å; R212-L215 PolarHBondContact O-N 3.14Å; R212-Y216 WeakPolarHBondContact O-CD1 3.35Å; R212-Y216 PolarHBondContact O-N 3.19Å |
| 213 | K | 92.5 | Very high | 92.9 | Very high | 110 Ų | 110 | 86.5 Ų | 86.5 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.2 | -69.5 | 179.2 | 178.6 | 173.1 | 0 | 111.4 | V208 S209 P210 L215 Y216 C217 | V208-K213 HydrophobicContact CB-CG 4.1Å; V208-K213 HydrophobicContact CG1-CG 3.8Å; V208-K213 WeakPolarHBondContact O-CE 3.44Å; S209-K213 PolarHBondContact O-N 3.44Å; P210-K213 PolarHBondContact O-N 3.2Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 2.87Å; K213-Y216 PolarHBondContact O-N 3.1Å; K213-C217 PolarHBondContact O-N 3.28Å; K213-C217 PolarHBondContact O-SG 3.44Å; K213-C217 VanDerWaalsContact O-SG 3.35Å |
| 214 | T | 95.2 | Very high | 93.1 | Very high | 90 Ų | 90 | 82.9 Ų | 82.9 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.3 | -43.8 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | P210 I211 R212 Y216 C217 V218 | P210-T214 PolarHBondContact O-N 2.93Å; P210-T214 PolarHBondContact O-OG1 3.22Å; P210-T214 VanDerWaalsContact O-OG1 3.11Å; I211-T214 WeakPolarHBondContact O-CB 3.29Å; I211-T214 PolarHBondContact O-N 3.26Å; R212-T214 VanDerWaalsContact C-N 3.34Å; R212-T214 PolarHBondContact O-N 3.46Å; T214-Y216 PolarHBondContact O-N 2.86Å; T214-C217 WeakPolarHBondContact O-CB 3.42Å; T214-C217 PolarHBondContact O-N 3.01Å; T214-V218 WeakPolarHBondContact O-CG2 3.4Å; T214-V218 PolarHBondContact O-N 3.45Å |
| 215 | L | 95.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.4 | -173.7 | 63.7 | 0 | 0 | 0 | 112.4 | I211 R212 K213 C217 V218 H219 | I211-L215 PolarHBondContact O-N 3.49Å; R212-L215 WeakPolarHBondContact O-CB 3.28Å; R212-L215 PolarHBondContact O-N 3.14Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 2.87Å; L215-C217 VanDerWaalsContact C-N 3.34Å; L215-C217 PolarHBondContact O-N 3.37Å; L215-V218 PolarHBondContact O-N 2.85Å; L215-H219 WeakPolarHBondContact CD1-NE2 3.47Å; L215-H219 PolarHBondContact O-CD2 3.27Å; L215-H219 PolarHBondContact O-N 2.95Å |
| 216 | Y | 93.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 81.2 Ų | 81.2 | 19% | 0.192 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.7 | -62.4 | -13.4 | 0 | 0 | 0 | 111.6 | M198 H201 V208 R212 K213 T214 V218 H219 I220 | M198-Y216 HydrophobicContact CE-CD1 4.44Å; M198-Y216 HydrophobicContact CE-CD2 3.88Å; M198-Y216 HydrophobicContact CE-CE2 4.47Å; M198-Y216 HydrophobicContact CE-CG 3.86Å; M198-Y216 HydrophobicContact SD-CD2 3.71Å; M198-Y216 HydrophobicContact SD-CE2 4.08Å; M198-Y216 HydrophobicContact SD-CG 4.32Å; H201-Y216 AromaticContact CD2-CE2 3.68Å; H201-Y216 AromaticContact CD2-CZ 3.98Å; H201-Y216 PolarHBondContact CE1-OH 3.49Å; H201-Y216 AromaticContact NE2-CE2 3.54Å; H201-Y216 AromaticContact NE2-CZ 3.52Å; H201-Y216 PolarHBondContact NE2-OH 2.96Å; V208-Y216 HydrophobicContact CG1-CE2 3.87Å; V208-Y216 HydrophobicContact CG2-CE2 4.44Å; R212-Y216 WeakPolarHBondContact O-CD1 3.35Å; R212-Y216 PolarHBondContact O-N 3.19Å; K213-Y216 PolarHBondContact O-N 3.1Å; T214-Y216 PolarHBondContact O-N 2.86Å; Y216-V218 VanDerWaalsContact C-N 3.31Å; Y216-V218 PolarHBondContact O-N 3.43Å; Y216-H219 PolarHBondContact O-N 2.97Å; Y216-I220 VanDerWaalsContact O-CG1 3.28Å; Y216-I220 WeakPolarHBondContact O-CG1 3.41Å; Y216-I220 PolarHBondContact O-N 2.9Å |
| 217 | C | 95.1 | Very high | 94.3 | Very high | 82 Ų | 82 | 80 Ų | 80 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 175.4 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | K213 T214 L215 I220 A221 | K213-C217 PolarHBondContact O-N 3.28Å; K213-C217 PolarHBondContact O-SG 3.44Å; K213-C217 VanDerWaalsContact O-SG 3.35Å; T214-C217 WeakPolarHBondContact O-CB 3.42Å; T214-C217 PolarHBondContact O-N 3.01Å; L215-C217 VanDerWaalsContact C-N 3.34Å; L215-C217 PolarHBondContact O-N 3.37Å; C217-I220 PolarHBondContact O-N 3.42Å; C217-A221 VanDerWaalsContact O-CB 3.25Å; C217-A221 WeakPolarHBondContact O-CB 3.4Å; C217-A221 PolarHBondContact O-N 3Å |
| 218 | V | 97.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | T214 L215 Y216 A221 R222 | T214-V218 WeakPolarHBondContact O-CG2 3.4Å; T214-V218 PolarHBondContact O-N 3.45Å; L215-V218 PolarHBondContact O-N 2.85Å; Y216-V218 VanDerWaalsContact C-N 3.31Å; Y216-V218 PolarHBondContact O-N 3.43Å; V218-A221 PolarHBondContact O-N 3.06Å; V218-R222 WeakPolarHBondContact O-CG 3.37Å; V218-R222 PolarHBondContact O-N 3.33Å |
| 219 | H | 95.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 177.8 | -68.3 | -175.6 | 0 | 0 | 0 | 111.8 | N173 L215 Y216 R222 G223 | N173-H219 WeakPolarHBondContact CB-O 3.35Å; N173-H219 VanDerWaalsContact CG-O 3.29Å; N173-H219 PolarHBondContact OD1-O 3.5Å; L215-H219 WeakPolarHBondContact CD1-NE2 3.47Å; L215-H219 PolarHBondContact O-CD2 3.27Å; L215-H219 PolarHBondContact O-N 2.95Å; Y216-H219 PolarHBondContact O-N 2.97Å; H219-R222 PolarHBondContact O-N 3.3Å; H219-G223 PolarHBondContact O-N 3.04Å |
| 220 | I | 94.2 | Very high | 94.3 | Very high | 93 Ų | 93 | 82.9 Ų | 82.9 | 48% | 0.477 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.1 | -67.6 | 164.9 | 0 | 0 | 0 | 110.2 | Y216 C217 R222 G223 M224 | Y216-I220 VanDerWaalsContact O-CG1 3.28Å; Y216-I220 WeakPolarHBondContact O-CG1 3.41Å; Y216-I220 PolarHBondContact O-N 2.9Å; C217-I220 PolarHBondContact O-N 3.42Å; I220-R222 PolarHBondContact O-N 3.47Å; I220-G223 PolarHBondContact O-N 3.36Å; I220-M224 HydrophobicContact CG2-CG 4.2Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.38Å; I220-M224 PolarHBondContact O-N 3.41Å |
| 221 | A | 96.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 85.2 Ų | 85.2 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | C217 V218 G223 M224 E225 | C217-A221 VanDerWaalsContact O-CB 3.25Å; C217-A221 WeakPolarHBondContact O-CB 3.4Å; C217-A221 PolarHBondContact O-N 3Å; V218-A221 PolarHBondContact O-N 3.06Å; A221-G223 PolarHBondContact O-N 3.17Å; A221-M224 PolarHBondContact O-N 2.95Å; A221-E225 WeakPolarHBondContact O-CB 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å |
| 222 | R | 97.3 | Very high | 93 | Very high | 115 Ų | 115 | 79.4 Ų | 79.4 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.5 | -72.9 | 176.2 | 178.2 | -179.5 | 1 | 112.4 | E172 N173 V218 H219 I220 M224 E225 Y226 | E172-R222 IonicContact OE1-NH1 3.69Å; N173-R222 WeakPolarHBondContact OD1-CB 3.32Å; V218-R222 WeakPolarHBondContact O-CG 3.37Å; V218-R222 PolarHBondContact O-N 3.33Å; H219-R222 PolarHBondContact O-N 3.3Å; I220-R222 PolarHBondContact O-N 3.47Å; R222-M224 PolarHBondContact O-N 3.4Å; R222-E225 PolarHBondContact O-N 3.03Å; R222-Y226 PolarHBondContact O-N 3.18Å |
| 223 | G | 95.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 78.4 Ų | 78.4 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H219 I220 A221 Y226 L227 | H219-G223 PolarHBondContact O-N 3.04Å; I220-G223 PolarHBondContact O-N 3.36Å; A221-G223 PolarHBondContact O-N 3.17Å; G223-Y226 PolarHBondContact O-N 2.97Å; G223-L227 VanDerWaalsContact O-CG 3.28Å; G223-L227 WeakPolarHBondContact O-CG 3.46Å; G223-L227 PolarHBondContact O-N 3.36Å |
| 224 | M | 94.7 | Very high | 90.4 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 179.4 | -68.3 | -59.6 | -61.1 | 0 | 0 | 113 | I220 A221 R222 L227 A228 H234 | I220-M224 HydrophobicContact CG2-CG 4.2Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.38Å; I220-M224 PolarHBondContact O-N 3.41Å; A221-M224 PolarHBondContact O-N 2.95Å; R222-M224 PolarHBondContact O-N 3.4Å; M224-L227 PolarHBondContact O-N 3.24Å; M224-L227 HydrophobicContact SD-CD1 4.08Å; M224-A228 WeakPolarHBondContact O-CB 3.28Å; M224-A228 PolarHBondContact O-N 3.23Å; M224-H234 HydrophobicContact CE-CB 4.02Å; M224-H234 HydrophobicContact SD-CB 4.32Å |
| 225 | E | 95.8 | Very high | 88.5 | Confident | 127 Ų | 127 | 79.6 Ų | 79.6 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.4 | -48 | 172 | 177.8 | 178.9 | -146 | 0 | 0 | 110.8 | A221 R222 L227 A228 N229 | A221-E225 WeakPolarHBondContact O-CB 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å; R222-E225 PolarHBondContact O-N 3.03Å; E225-L227 PolarHBondContact O-N 3.42Å; E225-A228 PolarHBondContact O-N 3.47Å; E225-N229 PolarHBondContact O-N 3.35Å; E225-N229 PolarHBondContact O-ND2 3.47Å |
| 226 | Y | 95.5 | Very high | 86.1 | Confident | 36 Ų | 36 | 86.6 Ų | 86.6 | 14% | 0.141 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.9 | 174.1 | -101.1 | 0 | 0 | 0 | 112 | L169 R170 H171 V174 R222 G223 A228 N229 E230 | L169-Y226 HydrophobicContact CB-CE1 4.18Å; L169-Y226 HydrophobicContact CD2-CE1 3.93Å; R170-Y226 PolarHBondContact N-OH 3.39Å; H171-Y226 HydrophobicContact CB-CD1 3.45Å; H171-Y226 VanDerWaalsContact CB-CD1 3.45Å; H171-Y226 HydrophobicContact CB-CD2 4.16Å; H171-Y226 HydrophobicContact CB-CE1 3.7Å; H171-Y226 HydrophobicContact CB-CE2 4.41Å; H171-Y226 HydrophobicContact CB-CG 3.69Å; H171-Y226 AromaticContact CD2-CD2 3.96Å; H171-Y226 AromaticContact CD2-CG 3.77Å; H171-Y226 AromaticContact CG-CD1 3.96Å; H171-Y226 AromaticContact CG-CG 3.75Å; V174-Y226 HydrophobicContact CG2-CD1 3.97Å; R222-Y226 PolarHBondContact O-N 3.18Å; G223-Y226 PolarHBondContact O-N 2.97Å; Y226-A228 VanDerWaalsContact C-N 3.3Å; Y226-A228 PolarHBondContact O-N 3.47Å; Y226-N229 PolarHBondContact O-N 3.12Å; Y226-E230 HydrophobicContact CD1-CG 4.43Å; Y226-E230 HydrophobicContact CD2-CG 4.38Å; Y226-E230 HydrophobicContact CE1-CG 3.9Å; Y226-E230 HydrophobicContact CE2-CG 3.79Å; Y226-E230 WeakPolarHBondContact O-CG 3.25Å; Y226-E230 PolarHBondContact O-N 3.02Å; Y226-E230 PolarHBondContact OH-OE1 3.46Å |
| 227 | L | 93.2 | Very high | 83.2 | Confident | 12 Ų | 12 | 89.3 Ų | 89.3 | 6% | 0.063 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 178.4 | -69.5 | 176.4 | 0 | 0 | 0 | 112.4 | L169 V174 G223 M224 E225 E230 N231 C232 H234 | L169-L227 HydrophobicContact CD1-CD2 3.65Å; L169-L227 HydrophobicContact CD2-CD2 3.96Å; L169-L227 HydrophobicContact CG-CD2 4.4Å; V174-L227 HydrophobicContact CG1-CD2 4.24Å; V174-L227 HydrophobicContact CG2-CD2 4.17Å; V174-L227 HydrophobicContact CG2-CG 4.16Å; G223-L227 VanDerWaalsContact O-CG 3.28Å; G223-L227 WeakPolarHBondContact O-CG 3.46Å; G223-L227 PolarHBondContact O-N 3.36Å; M224-L227 PolarHBondContact O-N 3.24Å; M224-L227 HydrophobicContact SD-CD1 4.08Å; E225-L227 PolarHBondContact O-N 3.42Å; L227-E230 PolarHBondContact O-N 3.41Å; L227-N231 PolarHBondContact O-N 3.28Å; L227-C232 HydrophobicContact CB-CB 4.31Å; L227-C232 HydrophobicContact CD2-CB 4.15Å; L227-C232 WeakPolarHBondContact O-CA 3.49Å; L227-C232 WeakPolarHBondContact O-CB 3.4Å; L227-C232 PolarHBondContact O-N 2.97Å; L227-H234 HydrophobicContact CD1-CB 4.28Å |
| 228 | A | 91.3 | Very high | 80.4 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M224 E225 Y226 E230 N231 | M224-A228 WeakPolarHBondContact O-CB 3.28Å; M224-A228 PolarHBondContact O-N 3.23Å; E225-A228 PolarHBondContact O-N 3.47Å; Y226-A228 VanDerWaalsContact C-N 3.3Å; Y226-A228 PolarHBondContact O-N 3.47Å; A228-E230 VanDerWaalsContact C-N 3.29Å; A228-E230 PolarHBondContact O-N 2.85Å; A228-N231 PolarHBondContact O-N 3.05Å |
| 229 | N | 92.3 | Very high | 77.5 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.5 | -31.5 | 176.9 | -70.1 | -23.6 | 0 | 0 | 0 | 112.9 | E225 Y226 N231 | E225-N229 PolarHBondContact O-N 3.35Å; E225-N229 PolarHBondContact O-ND2 3.47Å; Y226-N229 PolarHBondContact O-N 3.12Å; N229-N231 PolarHBondContact O-N 3.19Å |
| 230 | E | 88.9 | Confident | 76.6 | Confident | 88 Ų | 88 | 93.5 Ų | 93.5 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 10.9 | 174.3 | -65.8 | -66.2 | 159 | 0 | 0 | 113.3 | L169 Y226 L227 A228 C232 | L169-E230 HydrophobicContact CD2-CB 3.98Å; L169-E230 HydrophobicContact CD2-CG 4.06Å; Y226-E230 HydrophobicContact CD1-CG 4.43Å; Y226-E230 HydrophobicContact CD2-CG 4.38Å; Y226-E230 HydrophobicContact CE1-CG 3.9Å; Y226-E230 HydrophobicContact CE2-CG 3.79Å; Y226-E230 WeakPolarHBondContact O-CG 3.25Å; Y226-E230 PolarHBondContact O-N 3.02Å; Y226-E230 PolarHBondContact OH-OE1 3.46Å; L227-E230 PolarHBondContact O-N 3.41Å; A228-E230 VanDerWaalsContact C-N 3.29Å; A228-E230 PolarHBondContact O-N 2.85Å; E230-C232 PolarHBondContact O-N 3.33Å; E230-C232 VanDerWaalsContact O-N 3.1Å |
| 231 | N | 83.1 | Confident | 75.7 | Confident | 151 Ų | 151 | 93.5 Ų | 93.5 | 81% | 0.807 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 28.8 | -174.1 | -63.2 | -61.9 | 0 | 0 | 0 | 113.3 | L227 A228 N229 | L227-N231 PolarHBondContact O-N 3.28Å; A228-N231 PolarHBondContact O-N 3.05Å; N229-N231 PolarHBondContact O-N 3.19Å |
| 232 | C | 77.1 | Confident | 74.6 | Confident | 21 Ų | 21 | 95.5 Ų | 95.5 | 14% | 0.142 | 46% | 0.457 | C | S | . | . | trans | -94.7 | 104.9 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | L227 E230 H234 | L227-C232 HydrophobicContact CB-CB 4.31Å; L227-C232 HydrophobicContact CD2-CB 4.15Å; L227-C232 WeakPolarHBondContact O-CA 3.49Å; L227-C232 WeakPolarHBondContact O-CB 3.4Å; L227-C232 PolarHBondContact O-N 2.97Å; E230-C232 PolarHBondContact O-N 3.33Å; E230-C232 VanDerWaalsContact O-N 3.1Å; C232-H234 PolarHBondContact O-N 3.21Å | ||
| 233 | I | 68.5 | Low | 73.2 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 66% | 0.656 | 46% | 0.459 | S | S | * | . | trans | -75.5 | 108.3 | 169.9 | -56.5 | 175.7 | 0 | 0 | 0 | 108.2 | R235 | I233-R235 HydrophobicContact CG2-CG 4.46Å; I233-R235 PolarHBondContact O-N 2.96Å; I233-R235 VanDerWaalsContact O-N 3.14Å | ||
| 234 | H | 62.9 | Low | 71.8 | Confident | 52 Ų | 52 | 100 Ų | 100 | 24% | 0.241 | 49% | 0.485 | C | S | . | . | trans | -70 | 105.5 | 170.6 | -167.1 | -73.1 | 0 | 0 | 0 | 108.9 | M224 L227 C232 M239 | M224-H234 HydrophobicContact CE-CB 4.02Å; M224-H234 HydrophobicContact SD-CB 4.32Å; L227-H234 HydrophobicContact CD1-CB 4.28Å; C232-H234 PolarHBondContact O-N 3.21Å; H234-M239 WeakPolarHBondContact NE2-CE 3.47Å | ||
| 235 | R | 56.2 | Low | 70.3 | Confident | 172 Ų | 172 | 100.8 Ų | 100.8 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | trans | -87.4 | 137.5 | 164.6 | -63.3 | -172.3 | -175.5 | -176.8 | 0.7 | 107.4 | I233 D237 I238 | I233-R235 HydrophobicContact CG2-CG 4.46Å; I233-R235 PolarHBondContact O-N 2.96Å; I233-R235 VanDerWaalsContact O-N 3.14Å; R235-D237 PolarHBondContact O-N 3.32Å; R235-I238 HydrophobicContact CB-CD1 4.01Å; R235-I238 HydrophobicContact CB-CG1 4.4Å; R235-I238 WeakPolarHBondContact O-CG1 3.22Å; R235-I238 PolarHBondContact O-N 3.11Å | ||
| 236 | W | 44.2 | Very low | 68.5 | Low | 235 Ų | 235 | 98.9 Ų | 98.9 | 89% | 0.89 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -8.6 | -176.9 | -60.4 | 96.5 | 0 | 0 | 0 | 114.4 | ||
| 237 | D | 33 | Very low | 66.4 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.2 | -177.2 | -44.7 | -46.5 | 0 | 0 | 0 | 114.9 | R235 | R235-D237 PolarHBondContact O-N 3.32Š|
| 238 | I | 35.1 | Very low | 64.2 | Low | 31 Ų | 31 | 111.4 Ų | 111.4 | 16% | 0.159 | 54% | 0.544 | C | S | . | . | trans | -107 | 5.9 | -166.8 | -46.3 | 166 | 0 | 0 | 0 | 114.2 | E162 R235 | E162-I238 HydrophobicContact CB-CG2 4.47Å; E162-I238 HydrophobicContact CG-CG2 3.65Å; R235-I238 HydrophobicContact CB-CD1 4.01Å; R235-I238 HydrophobicContact CB-CG1 4.4Å; R235-I238 WeakPolarHBondContact O-CG1 3.22Å; R235-I238 PolarHBondContact O-N 3.11Å | ||
| 239 | M | 37.8 | Very low | 61.7 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 83% | 0.833 | 55% | 0.546 | S | S | * | . | trans | -124.1 | 0 | 165.1 | -81.5 | -172.6 | -84 | 0 | 0 | 110.3 | V175 H234 | V175-M239 HydrophobicContact CG2-SD 4.19Å; H234-M239 WeakPolarHBondContact NE2-CE 3.47Å |
Retrieved 239 of 239 residues in 162.8 ms
(Link to these results)