| 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 | 35.3 | Very low | 66.6 | Low | 232 Ų | 232 | 83.1 Ų | 83.1 | 100% | 1.143 | 51% | 0.506 | S | S | * | . | 0 | 127.7 | 0 | -86.8 | 162.4 | 147.2 | 0 | 0 | 105.7 | D3 | M1-D3 PolarHBondContact O-N 2.72Å; M1-D3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | G | 41 | Very low | 69.1 | Low | 69 Ų | 69 | 77 Ų | 77 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | trans | -59.9 | 121.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | T4 | G2-T4 PolarHBondContact O-N 3.15Š| ||
| 3 | D | 47.9 | Very low | 71.2 | Confident | 158 Ų | 158 | 71.2 Ų | 71.2 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | trans | -66.1 | 76.1 | 170.5 | -69.1 | -30.1 | 0 | 0 | 0 | 107.2 | M1 V5 | M1-D3 PolarHBondContact O-N 2.72Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-V5 PolarHBondContact O-N 2.78Å | ||
| 4 | T | 46 | Very low | 72.9 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | trans | -65.5 | 96.2 | 165.4 | 47.3 | 0 | 0 | 0 | 0 | 105 | G2 G6 | G2-T4 PolarHBondContact O-N 3.15Å; T4-G6 PolarHBondContact O-N 2.86Å | ||
| 5 | V | 52.3 | Low | 74.3 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 72% | 0.721 | 38% | 0.38 | S | S | * | . | trans | -56.1 | 97.3 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 105.6 | D3 | D3-V5 PolarHBondContact O-N 2.78Š| ||
| 6 | G | 63.2 | Low | 75.5 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 152.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T4 A8 | T4-G6 PolarHBondContact O-N 2.86Å; G6-A8 PolarHBondContact O-N 2.91Å |
| 7 | P | 76.7 | Confident | 76.6 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 139.6 | 173.7 | 25.8 | -34.1 | 0 | 0 | 0 | 109.4 | A9 | P7-A9 PolarHBondContact O-N 2.73Å; P7-A9 VanDerWaalsContact O-N 3.07Å |
| 8 | A | 87.7 | Confident | 77.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 120.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G6 R36 I93 | G6-A8 PolarHBondContact O-N 2.91Å; A8-R36 HydrophobicContact CB-CG 3.84Å; A8-R36 PolarHBondContact O-NE 3.42Å; A8-I93 HydrophobicContact CB-CG2 3.65Å |
| 9 | A | 92.4 | Very high | 78.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P7 V11 N34 I35 R36 I134 L137 | P7-A9 PolarHBondContact O-N 2.73Å; P7-A9 VanDerWaalsContact O-N 3.07Å; A9-V11 HydrophobicContact CB-CG2 4.33Å; A9-V11 PolarHBondContact O-N 2.9Å; A9-N34 PolarHBondContact N-O 2.99Å; A9-I35 HydrophobicContact CB-CG2 4.49Å; A9-I35 CarbonylContact O-C 3.58Å; A9-I35 VanDerWaalsContact O-CA 3.29Å; A9-I35 WeakPolarHBondContact O-CA 3.29Å; A9-R36 PolarHBondContact O-N 3.07Å; A9-I134 VanDerWaalsContact CA-CD1 3.42Å; A9-I134 HydrophobicContact CB-CD1 3.29Å; A9-I134 HydrophobicContact CB-CG2 4.46Å; A9-L137 HydrophobicContact CB-CD1 3.52Å |
| 10 | Y | 94.9 | Very high | 78.9 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 21% | 0.212 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 123.4 | 166.4 | -73.3 | -95.1 | 0 | 0 | 0 | 109.2 | R36 Y123 V126 T127 T130 R131 | Y10-R36 HydrophobicContact CD1-CB 4.32Å; Y10-R36 VanDerWaalsContact CZ-CD 3.47Å; Y10-Y123 AromaticContact CD1-CE2 3.86Å; Y10-Y123 HydrophobicContact CD1-CE2 3.86Å; Y10-Y123 HydrophobicContact CE1-CE2 4.05Å; Y10-V126 HydrophobicContact CD1-CG1 4.42Å; Y10-V126 HydrophobicContact CE1-CG1 4.21Å; Y10-T127 WeakPolarHBondContact O-CG2 2.96Å; Y10-T130 HydrophobicContact CD2-CG2 3.93Å; Y10-T130 VanDerWaalsContact CD2-OG1 3.3Å; Y10-T130 WeakPolarHBondContact CD2-OG1 3.42Å; Y10-T130 HydrophobicContact CE2-CG2 4.06Å; Y10-R131 PolarHBondContact O-NH2 3.07Å |
| 11 | V | 95.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129 | 178 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | A9 E15 L16 F23 I35 R36 L137 | A9-V11 HydrophobicContact CB-CG2 4.33Å; A9-V11 PolarHBondContact O-N 2.9Å; V11-E15 HydrophobicContact CG1-CB 4.38Å; V11-L16 HydrophobicContact CG1-CD2 3.65Å; V11-L16 HydrophobicContact CG1-CG 4.12Å; V11-F23 HydrophobicContact CG1-CE1 3.85Å; V11-F23 HydrophobicContact CG1-CE2 4.47Å; V11-F23 HydrophobicContact CG1-CZ 3.57Å; V11-F23 HydrophobicContact CG2-CE1 3.99Å; V11-F23 HydrophobicContact CG2-CZ 4.28Å; V11-I35 HydrophobicContact CB-CD1 4.4Å; V11-I35 HydrophobicContact CG2-CB 3.99Å; V11-I35 HydrophobicContact CG2-CG2 3.73Å; V11-R36 PolarHBondContact N-O 2.85Å; V11-R36 VanDerWaalsContact N-O 3.12Å; V11-L137 HydrophobicContact CG2-CD1 4.38Å |
| 12 | L | 96.4 | Very high | 82.1 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | trans | -73.1 | 137.5 | 170.4 | -60.3 | -179.3 | 0 | 0 | 0 | 108.7 | D14 E15 F57 Y123 R124 T127 V140 | L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.45Å; L12-E15 HydrophobicContact CB-CB 4.15Å; L12-E15 WeakPolarHBondContact O-CA 3.2Å; L12-E15 WeakPolarHBondContact O-CB 3.24Å; L12-E15 PolarHBondContact O-N 3.25Å; L12-F57 HydrophobicContact CD2-CE2 4.45Å; L12-Y123 HydrophobicContact CD2-CD1 3.82Å; L12-Y123 HydrophobicContact CD2-CE1 3.87Å; L12-R124 HydrophobicContact CD1-CG 4.02Å; L12-R124 HydrophobicContact CD2-CG 4.07Å; L12-T127 HydrophobicContact CD2-CG2 3.99Å; L12-T127 HydrophobicContact CG-CG2 3.87Å; L12-V140 HydrophobicContact CD1-CG1 3.57Å; L12-V140 HydrophobicContact CG-CG1 4.3Å | ||
| 13 | F | 96.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -49 | -178.4 | -167 | -73 | 0 | 0 | 0 | 112.4 | E15 L16 Y17 L37 L53 P56 I62 V65 | F13-E15 PolarHBondContact O-N 3.19Å; F13-L16 WeakPolarHBondContact O-CB 3.22Å; F13-L16 WeakPolarHBondContact O-CG 3.43Å; F13-L16 PolarHBondContact O-N 3.11Å; F13-Y17 HydrophobicContact CD1-CE2 4.18Å; F13-Y17 AromaticContact CE1-CE2 3.75Å; F13-Y17 HydrophobicContact CE1-CE2 3.75Å; F13-L37 HydrophobicContact CB-CD1 4.24Å; F13-L37 HydrophobicContact CD2-CD1 4.2Å; F13-L37 HydrophobicContact CD2-CD2 4.19Å; F13-L37 HydrophobicContact CD2-CG 4.22Å; F13-L37 HydrophobicContact CE2-CD2 4.45Å; F13-L53 HydrophobicContact CE2-CB 3.83Å; F13-L53 WeakPolarHBondContact CZ-O 3.28Å; F13-P56 HydrophobicContact CB-CG 4.48Å; F13-I62 HydrophobicContact CD1-CD1 3.89Å; F13-I62 HydrophobicContact CE1-CD1 4.09Å; F13-I62 HydrophobicContact CE1-CG1 4.25Å; F13-V65 HydrophobicContact CD2-CG2 4.35Å; F13-V65 HydrophobicContact CE1-CG2 4.11Å; F13-V65 HydrophobicContact CE2-CB 3.84Å; F13-V65 HydrophobicContact CE2-CG2 3.57Å; F13-V65 HydrophobicContact CZ-CB 3.95Å; F13-V65 HydrophobicContact CZ-CG2 3.45Å; F13-V65 VanDerWaalsContact CZ-CG2 3.45Å |
| 14 | D | 94.7 | Very high | 86.6 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19 | -179.1 | -40.6 | -97.4 | 0 | 0 | 0 | 112.8 | L12 L16 Y17 T18 S55 F57 Q58 I62 | L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.45Å; D14-L16 PolarHBondContact O-N 2.67Å; D14-Y17 PolarHBondContact O-N 3.3Å; D14-T18 WeakPolarHBondContact O-CG2 3.46Å; D14-T18 PolarHBondContact O-N 2.9Å; D14-T18 PolarHBondContact O-OG1 3.01Å; D14-S55 PolarHBondContact OD1-OG 2.88Å; D14-S55 PolarHBondContact OD2-OG 2.66Å; D14-F57 WeakPolarHBondContact OD2-CD2 3.41Å; D14-Q58 VanDerWaalsContact OD1-CD 3.27Å; D14-Q58 WeakPolarHBondContact OD1-CG 3.44Å; D14-Q58 PolarHBondContact OD1-NE2 3.34Å; D14-I62 HydrophobicContact CB-CD1 3.99Å; D14-I62 WeakPolarHBondContact OD1-CD1 3.36Å |
| 15 | E | 94 | Very high | 88.7 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -33 | 176.1 | -152 | -169.8 | 175.1 | 0 | 0 | 111.5 | V11 L12 F13 Y17 T18 K19 F23 R131 | V11-E15 HydrophobicContact CG1-CB 4.38Å; L12-E15 HydrophobicContact CB-CB 4.15Å; L12-E15 WeakPolarHBondContact O-CA 3.2Å; L12-E15 WeakPolarHBondContact O-CB 3.24Å; L12-E15 PolarHBondContact O-N 3.25Å; F13-E15 PolarHBondContact O-N 3.19Å; E15-Y17 PolarHBondContact O-N 2.84Å; E15-Y17 VanDerWaalsContact O-N 3.14Å; E15-T18 WeakPolarHBondContact CA-OG1 3.4Å; E15-K19 HydrophobicContact CG-CB 4.42Å; E15-K19 HydrophobicContact CG-CD 3.8Å; E15-K19 HydrophobicContact CG-CG 4.15Å; E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 PolarHBondContact O-N 3.37Å; E15-K19 WeakPolarHBondContact OE1-CD 3.33Å; E15-K19 IonicContact OE1-NZ 2.96Å; E15-K19 PolarHBondContact OE1-NZ 3.5Å; E15-F23 HydrophobicContact CB-CE2 4.05Å; E15-F23 HydrophobicContact CB-CZ 4.35Å; E15-F23 HydrophobicContact CG-CE2 3.81Å; E15-F23 HydrophobicContact CG-CZ 4.16Å; E15-F23 VanDerWaalsContact O-CE2 3.29Å; E15-F23 WeakPolarHBondContact O-CE2 3.46Å; E15-R131 IonicContact OE1-CZ 3.78Å; E15-R131 IonicContact OE1-NH1 2.9Å; E15-R131 PolarHBondContact OE1-NH1 3.19Å; E15-R131 IonicContact OE1-NH2 3.84Å; E15-R131 IonicContact OE2-CZ 3.45Å; E15-R131 IonicContact OE2-NH1 3.3Å; E15-R131 PolarHBondContact OE2-NH1 3.38Å; E15-R131 IonicContact OE2-NH2 2.76Å; E15-R131 PolarHBondContact OE2-NH2 3.27Å |
| 16 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -29.9 | 178.2 | -62.6 | -178.9 | 0 | 0 | 0 | 112.3 | V11 F13 D14 E20 F23 L37 V65 L96 Y105 | V11-L16 HydrophobicContact CG1-CD2 3.65Å; V11-L16 HydrophobicContact CG1-CG 4.12Å; F13-L16 WeakPolarHBondContact O-CB 3.22Å; F13-L16 WeakPolarHBondContact O-CG 3.43Å; F13-L16 PolarHBondContact O-N 3.11Å; D14-L16 PolarHBondContact O-N 2.67Å; L16-E20 VanDerWaalsContact O-CA 3.27Å; L16-E20 WeakPolarHBondContact O-CA 3.16Å; L16-F23 HydrophobicContact CD2-CD1 3.89Å; L16-F23 HydrophobicContact CD2-CD2 4.16Å; L16-F23 HydrophobicContact CD2-CE1 3.96Å; L16-F23 HydrophobicContact CD2-CE2 4.22Å; L16-F23 HydrophobicContact CD2-CG 4Å; L16-F23 HydrophobicContact CD2-CZ 4.13Å; L16-L37 HydrophobicContact CD1-CD1 3.97Å; L16-L37 HydrophobicContact CD1-CD2 4.18Å; L16-V65 HydrophobicContact CD1-CG2 3.92Å; L16-L96 HydrophobicContact CD1-CD1 4.42Å; L16-L96 HydrophobicContact CD2-CD2 3.57Å; L16-Y105 HydrophobicContact CB-CD2 3.94Å; L16-Y105 HydrophobicContact CB-CE2 3.69Å; L16-Y105 HydrophobicContact CD1-CD2 4.35Å; L16-Y105 HydrophobicContact CD1-CG 4.43Å; L16-Y105 WeakPolarHBondContact O-CE2 3.2Å; L16-Y105 VanDerWaalsContact O-CZ 3.31Å; L16-Y105 PolarHBondContact O-OH 2.84Å |
| 17 | Y | 92.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -102.7 | -39.5 | -177.6 | -59.1 | -75.7 | 0 | 0 | 0 | 112 | F13 D14 E15 K19 E20 I62 P63 C64 Y105 | F13-Y17 HydrophobicContact CD1-CE2 4.18Å; F13-Y17 AromaticContact CE1-CE2 3.75Å; F13-Y17 HydrophobicContact CE1-CE2 3.75Å; D14-Y17 PolarHBondContact O-N 3.3Å; E15-Y17 PolarHBondContact O-N 2.84Å; E15-Y17 VanDerWaalsContact O-N 3.14Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 3.43Å; Y17-E20 WeakPolarHBondContact O-CB 3.28Å; Y17-E20 PolarHBondContact O-N 3.37Å; Y17-I62 HydrophobicContact CD2-CB 4.43Å; Y17-I62 HydrophobicContact CD2-CD1 3.81Å; Y17-I62 HydrophobicContact CD2-CG1 4.43Å; Y17-I62 HydrophobicContact CE2-CD1 4.28Å; Y17-P63 HydrophobicContact CD1-CG 4.24Å; Y17-P63 HydrophobicContact CE1-CB 3.78Å; Y17-P63 HydrophobicContact CE1-CG 3.85Å; Y17-P63 WeakPolarHBondContact CE2-O 3.42Å; Y17-P63 PolarHBondContact OH-O 3.48Å; Y17-C64 PolarHBondContact OH-O 2.71Å; Y17-C64 VanDerWaalsContact OH-O 3.13Å; Y17-Y105 HydrophobicContact CD1-CE2 4.15Å; Y17-Y105 AromaticContact CE1-CD2 3.8Å; Y17-Y105 HydrophobicContact CE1-CD2 3.8Å; Y17-Y105 AromaticContact CE1-CE2 3.89Å; Y17-Y105 HydrophobicContact CE1-CE2 3.89Å; Y17-Y105 AromaticContact CZ-CD2 3.85Å |
| 18 | T | 92.3 | Very high | 92.2 | Very high | 105 Ų | 105 | 37.7 Ų | 37.7 | 64% | 0.644 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -70 | -27.9 | 177.3 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | D14 E15 | D14-T18 WeakPolarHBondContact O-CG2 3.46Å; D14-T18 PolarHBondContact O-N 2.9Å; D14-T18 PolarHBondContact O-OG1 3.01Å; E15-T18 WeakPolarHBondContact CA-OG1 3.4Å |
| 19 | K | 92.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 34.5 | 174.8 | -57.5 | -175.4 | -168.1 | 157.9 | 0 | 111.8 | E15 Y17 N21 V22 F23 P138 S139 V140 | E15-K19 HydrophobicContact CG-CB 4.42Å; E15-K19 HydrophobicContact CG-CD 3.8Å; E15-K19 HydrophobicContact CG-CG 4.15Å; E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 PolarHBondContact O-N 3.37Å; E15-K19 WeakPolarHBondContact OE1-CD 3.33Å; E15-K19 IonicContact OE1-NZ 2.96Å; E15-K19 PolarHBondContact OE1-NZ 3.5Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 3.43Å; K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.34Å; K19-V22 HydrophobicContact CB-CB 4.47Å; K19-V22 HydrophobicContact CB-CG2 4.49Å; K19-V22 WeakPolarHBondContact O-CB 3.32Å; K19-V22 PolarHBondContact O-N 2.93Å; K19-F23 HydrophobicContact CB-CD2 4.3Å; K19-F23 HydrophobicContact CB-CE2 4.19Å; K19-F23 PolarHBondContact O-N 3Å; K19-P138 HydrophobicContact CD-CG 4.04Å; K19-S139 PolarHBondContact NZ-O 3.06Å; K19-V140 PolarHBondContact NZ-OXT 3.23Å |
| 20 | E | 91.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -50.8 | -44.2 | -173.8 | -179.5 | 173 | -173.5 | 0 | 0 | 113.6 | L16 Y17 V22 F23 R24 | L16-E20 VanDerWaalsContact O-CA 3.27Å; L16-E20 WeakPolarHBondContact O-CA 3.16Å; Y17-E20 WeakPolarHBondContact O-CB 3.28Å; Y17-E20 PolarHBondContact O-N 3.37Å; E20-V22 PolarHBondContact O-N 2.94Å; E20-F23 PolarHBondContact O-N 2.78Å; E20-R24 HydrophobicContact CG-CG 4.11Å; E20-R24 VanDerWaalsContact O-CB 3.32Å; E20-R24 WeakPolarHBondContact O-CB 3.28Å; E20-R24 VanDerWaalsContact O-CG 3.27Å; E20-R24 WeakPolarHBondContact O-CG 3.17Å; E20-R24 PolarHBondContact O-N 3.14Å; E20-R24 IonicContact OE1-CZ 3.09Å; E20-R24 IonicContact OE1-NE 2.7Å; E20-R24 PolarHBondContact OE1-NE 3Å; E20-R24 IonicContact OE1-NH2 2.67Å; E20-R24 PolarHBondContact OE1-NH2 3.1Å |
| 21 | N | 91.4 | Very high | 90.8 | Very high | 139 Ų | 139 | 53.1 Ų | 53.1 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57 | -35.5 | 178 | -70.2 | -23.8 | 0 | 0 | 0 | 113 | K19 S25 | K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.34Å; N21-S25 WeakPolarHBondContact O-CB 3.17Å; N21-S25 PolarHBondContact O-N 3.18Å |
| 22 | V | 91.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -52.3 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | K19 E20 R24 S25 I26 P138 | K19-V22 HydrophobicContact CB-CB 4.47Å; K19-V22 HydrophobicContact CB-CG2 4.49Å; K19-V22 WeakPolarHBondContact O-CB 3.32Å; K19-V22 PolarHBondContact O-N 2.93Å; E20-V22 PolarHBondContact O-N 2.94Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.07Å; V22-S25 PolarHBondContact O-N 2.84Å; V22-I26 HydrophobicContact CG1-CD1 3.8Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 3.28Å; V22-P138 HydrophobicContact CG1-CG 3.98Å |
| 23 | F | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 179.4 | -74.9 | -75.1 | 0 | 0 | 0 | 111.6 | V11 E15 L16 K19 E20 S25 I26 I27 L33 L96 Y105 L137 | V11-F23 HydrophobicContact CG1-CE1 3.85Å; V11-F23 HydrophobicContact CG1-CE2 4.47Å; V11-F23 HydrophobicContact CG1-CZ 3.57Å; V11-F23 HydrophobicContact CG2-CE1 3.99Å; V11-F23 HydrophobicContact CG2-CZ 4.28Å; E15-F23 HydrophobicContact CB-CE2 4.05Å; E15-F23 HydrophobicContact CB-CZ 4.35Å; E15-F23 HydrophobicContact CG-CE2 3.81Å; E15-F23 HydrophobicContact CG-CZ 4.16Å; E15-F23 VanDerWaalsContact O-CE2 3.29Å; E15-F23 WeakPolarHBondContact O-CE2 3.46Å; L16-F23 HydrophobicContact CD2-CD1 3.89Å; L16-F23 HydrophobicContact CD2-CD2 4.16Å; L16-F23 HydrophobicContact CD2-CE1 3.96Å; L16-F23 HydrophobicContact CD2-CE2 4.22Å; L16-F23 HydrophobicContact CD2-CG 4Å; L16-F23 HydrophobicContact CD2-CZ 4.13Å; K19-F23 HydrophobicContact CB-CD2 4.3Å; K19-F23 HydrophobicContact CB-CE2 4.19Å; K19-F23 PolarHBondContact O-N 3Å; E20-F23 PolarHBondContact O-N 2.78Å; F23-S25 PolarHBondContact O-N 3.09Å; F23-I26 PolarHBondContact O-N 3.05Å; F23-I27 WeakPolarHBondContact O-CB 3.27Å; F23-I27 WeakPolarHBondContact O-CD1 3.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.32Å; F23-I27 PolarHBondContact O-N 2.94Å; F23-L33 HydrophobicContact CD1-CD2 3.97Å; F23-L33 HydrophobicContact CE1-CD2 4.14Å; F23-L96 HydrophobicContact CD1-CD2 4.4Å; F23-Y105 HydrophobicContact CB-CE1 4.29Å; F23-L137 HydrophobicContact CD1-CD2 4.33Å; F23-L137 HydrophobicContact CE1-CD2 3.8Å; F23-L137 HydrophobicContact CZ-CD2 4.37Å |
| 24 | R | 91 | Very high | 89.9 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.6 | -71.1 | -176.2 | -179.7 | -79.8 | -1 | 112.8 | E20 V22 T28 V98 R102 | E20-R24 HydrophobicContact CG-CG 4.11Å; E20-R24 VanDerWaalsContact O-CB 3.32Å; E20-R24 WeakPolarHBondContact O-CB 3.28Å; E20-R24 VanDerWaalsContact O-CG 3.27Å; E20-R24 WeakPolarHBondContact O-CG 3.17Å; E20-R24 PolarHBondContact O-N 3.14Å; E20-R24 IonicContact OE1-CZ 3.09Å; E20-R24 IonicContact OE1-NE 2.7Å; E20-R24 PolarHBondContact OE1-NE 3Å; E20-R24 IonicContact OE1-NH2 2.67Å; E20-R24 PolarHBondContact OE1-NH2 3.1Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.07Å; R24-T28 VanDerWaalsContact O-CB 3.24Å; R24-T28 WeakPolarHBondContact O-CB 3.17Å; R24-T28 PolarHBondContact O-N 2.7Å; R24-T28 PolarHBondContact O-OG1 2.79Å; R24-V98 HydrophobicContact CG-CG2 4.31Å; R24-R102 PolarHBondContact NH1-O 3.1Å; R24-R102 PolarHBondContact NH2-O 3.48Å |
| 25 | S | 90.2 | Very high | 89.9 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | N21 V22 F23 T28 N29 | N21-S25 WeakPolarHBondContact O-CB 3.17Å; N21-S25 PolarHBondContact O-N 3.18Å; V22-S25 PolarHBondContact O-N 2.84Å; F23-S25 PolarHBondContact O-N 3.09Å; S25-T28 PolarHBondContact O-N 2.93Å; S25-N29 VanDerWaalsContact O-CG 3.22Å; S25-N29 PolarHBondContact O-N 2.9Å; S25-N29 PolarHBondContact O-ND2 3.41Å |
| 26 | I | 89.4 | Confident | 90 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 178.5 | -65.4 | 166.2 | 0 | 0 | 0 | 111.1 | V22 F23 T28 N29 N30 L33 Y136 L137 | V22-I26 HydrophobicContact CG1-CD1 3.8Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 3.28Å; F23-I26 PolarHBondContact O-N 3.05Å; I26-T28 VanDerWaalsContact C-N 3.3Å; I26-T28 PolarHBondContact O-N 2.84Å; I26-N29 PolarHBondContact O-N 2.73Å; I26-N30 WeakPolarHBondContact O-CB 3.41Å; I26-N30 PolarHBondContact O-N 2.88Å; I26-L33 HydrophobicContact CG2-CD1 4.2Å; I26-Y136 VanDerWaalsContact CD1-O 3.28Å; I26-Y136 WeakPolarHBondContact CD1-O 3.25Å; I26-L137 HydrophobicContact CD1-CD2 3.58Å |
| 27 | I | 89.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 178.9 | -66.6 | 165.1 | 0 | 0 | 0 | 110.6 | F23 N29 K31 L33 L96 V98 Y105 | F23-I27 WeakPolarHBondContact O-CB 3.27Å; F23-I27 WeakPolarHBondContact O-CD1 3.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.32Å; F23-I27 PolarHBondContact O-N 2.94Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.87Å; I27-K31 WeakPolarHBondContact CG2-O 3.04Å; I27-K31 CarbonylContact O-C 3.59Å; I27-K31 VanDerWaalsContact O-C 3.28Å; I27-K31 WeakPolarHBondContact O-CA 3.24Å; I27-K31 PolarHBondContact O-N 3.19Å; I27-L33 HydrophobicContact CG1-CB 4.21Å; I27-L96 HydrophobicContact CD1-CD2 3.75Å; I27-L96 HydrophobicContact CD1-CG 3.93Å; I27-V98 HydrophobicContact CD1-CG2 4Å; I27-V98 HydrophobicContact CG2-CG2 4.13Å; I27-Y105 HydrophobicContact CD1-CD1 4.23Å; I27-Y105 HydrophobicContact CD1-CE1 3.97Å |
| 28 | T | 86.5 | Confident | 90.4 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | R24 S25 I26 | R24-T28 VanDerWaalsContact O-CB 3.24Å; R24-T28 WeakPolarHBondContact O-CB 3.17Å; R24-T28 PolarHBondContact O-N 2.7Å; R24-T28 PolarHBondContact O-OG1 2.79Å; S25-T28 PolarHBondContact O-N 2.93Å; I26-T28 VanDerWaalsContact C-N 3.3Å; I26-T28 PolarHBondContact O-N 2.84Å |
| 29 | N | 85.9 | Confident | 90.6 | Very high | 120 Ų | 120 | 53.4 Ų | 53.4 | 64% | 0.642 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -75.2 | -38.4 | -179.9 | -66.5 | -24.2 | 0 | 0 | 0 | 112.9 | S25 I26 I27 | S25-N29 VanDerWaalsContact O-CG 3.22Å; S25-N29 PolarHBondContact O-N 2.9Å; S25-N29 PolarHBondContact O-ND2 3.41Å; I26-N29 PolarHBondContact O-N 2.73Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.87Å |
| 30 | N | 81.9 | Confident | 90.8 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -105.2 | -1.3 | -174.3 | -65.4 | -21.7 | 0 | 0 | 0 | 114.2 | I26 T32 | I26-N30 WeakPolarHBondContact O-CB 3.41Å; I26-N30 PolarHBondContact O-N 2.88Å; N30-T32 PolarHBondContact O-N 3.2Å |
| 31 | K | 77 | Confident | 91 | Very high | 175 Ų | 175 | 51.7 Ų | 51.7 | 76% | 0.761 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 65.1 | -38 | -168.8 | -57.1 | -179.5 | 179 | 178 | 0 | 115.6 | I27 | I27-K31 WeakPolarHBondContact CG2-O 3.04Å; I27-K31 CarbonylContact O-C 3.59Å; I27-K31 VanDerWaalsContact O-C 3.28Å; I27-K31 WeakPolarHBondContact O-CA 3.24Å; I27-K31 PolarHBondContact O-N 3.19Å |
| 32 | T | 85.6 | Confident | 91.1 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 28% | 0.282 | 24% | 0.241 | S | C | . | . | trans | -140.8 | 166 | 179 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | N30 E95 L96 | N30-T32 PolarHBondContact O-N 3.2Å; T32-E95 HydrophobicContact CG2-CB 4.35Å; T32-L96 CarbonylContact C-O 3.28Å; T32-L96 WeakPolarHBondContact CA-O 3.41Å | ||
| 33 | L | 90.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.9 | 173 | 176.9 | 66.7 | 0 | 0 | 0 | 111.1 | F23 I26 I27 I35 L96 Y136 L137 | F23-L33 HydrophobicContact CD1-CD2 3.97Å; F23-L33 HydrophobicContact CE1-CD2 4.14Å; I26-L33 HydrophobicContact CG2-CD1 4.2Å; I27-L33 HydrophobicContact CG1-CB 4.21Å; L33-I35 HydrophobicContact CB-CG2 4.41Å; L33-I35 HydrophobicContact CD2-CG2 3.63Å; L33-I35 HydrophobicContact CG-CG2 3.58Å; L33-I35 PolarHBondContact O-N 3.32Å; L33-L96 HydrophobicContact CB-CB 4.38Å; L33-L96 PolarHBondContact N-O 2.85Å; L33-L96 WeakPolarHBondContact O-CB 3.46Å; L33-L96 PolarHBondContact O-N 2.75Å; L33-Y136 HydrophobicContact CD1-CD2 4.19Å; L33-Y136 HydrophobicContact CD1-CE2 3.36Å; L33-L137 HydrophobicContact CD2-CD2 4.19Å |
| 34 | N | 93 | Very high | 91.4 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.1 | 175.3 | -74.3 | -45.7 | 0 | 0 | 0 | 111.4 | A9 G94 E95 | A9-N34 PolarHBondContact N-O 2.99Å; N34-G94 WeakPolarHBondContact CA-O 3.41Å; N34-E95 WeakPolarHBondContact OD1-CG 3.35Å |
| 35 | I | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 163.4 | -176.9 | 71.5 | 168.4 | 0 | 0 | 0 | 113.2 | A9 V11 L33 L37 I93 G94 L96 L107 | A9-I35 HydrophobicContact CB-CG2 4.49Å; A9-I35 CarbonylContact O-C 3.58Å; A9-I35 VanDerWaalsContact O-CA 3.29Å; A9-I35 WeakPolarHBondContact O-CA 3.29Å; V11-I35 HydrophobicContact CB-CD1 4.4Å; V11-I35 HydrophobicContact CG2-CB 3.99Å; V11-I35 HydrophobicContact CG2-CG2 3.73Å; L33-I35 HydrophobicContact CB-CG2 4.41Å; L33-I35 HydrophobicContact CD2-CG2 3.63Å; L33-I35 HydrophobicContact CG-CG2 3.58Å; L33-I35 PolarHBondContact O-N 3.32Å; I35-L37 HydrophobicContact CD1-CB 3.89Å; I35-L37 HydrophobicContact CD1-CD1 4.32Å; I35-L37 HydrophobicContact CD1-CD2 4.46Å; I35-L37 HydrophobicContact CD1-CG 4.46Å; I35-L37 HydrophobicContact CG1-CB 4.41Å; I35-I93 WeakPolarHBondContact O-CA 3.5Å; I35-G94 PolarHBondContact N-O 3.46Å; I35-G94 PolarHBondContact O-N 2.89Å; I35-L96 HydrophobicContact CD1-CB 3.89Å; I35-L96 HydrophobicContact CD1-CD1 3.99Å; I35-L96 HydrophobicContact CD1-CD2 4.01Å; I35-L96 HydrophobicContact CD1-CG 4.18Å; I35-L96 HydrophobicContact CG1-CB 4.11Å; I35-L96 HydrophobicContact CG2-CB 4.45Å; I35-L107 HydrophobicContact CD1-CD1 4.11Å; I35-L107 HydrophobicContact CG1-CD1 3.75Å |
| 36 | R | 96.6 | Very high | 91.6 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.3 | 161.8 | -58.1 | 176.8 | 178.3 | -109.2 | -1.9 | 107.3 | A8 A9 Y10 V11 Q91 F92 I93 | A8-R36 HydrophobicContact CB-CG 3.84Å; A8-R36 PolarHBondContact O-NE 3.42Å; A9-R36 PolarHBondContact O-N 3.07Å; Y10-R36 HydrophobicContact CD1-CB 4.32Å; Y10-R36 VanDerWaalsContact CZ-CD 3.47Å; V11-R36 PolarHBondContact N-O 2.85Å; V11-R36 VanDerWaalsContact N-O 3.12Å; R36-Q91 HydrophobicContact CB-CG 4.43Å; R36-F92 CarbonylContact C-O 3.58Å; R36-F92 VanDerWaalsContact CA-O 3.3Å; R36-F92 WeakPolarHBondContact CA-O 3.41Å; R36-I93 HydrophobicContact CG-CD1 4.4Å; R36-I93 HydrophobicContact CG-CG1 4.12Å; R36-I93 HydrophobicContact CG-CG2 4.43Å |
| 37 | L | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.6 | -177.4 | -171.7 | 67 | 0 | 0 | 0 | 109.6 | F13 L16 I35 L53 V65 Q91 F92 L107 | F13-L37 HydrophobicContact CB-CD1 4.24Å; F13-L37 HydrophobicContact CD2-CD1 4.2Å; F13-L37 HydrophobicContact CD2-CD2 4.19Å; F13-L37 HydrophobicContact CD2-CG 4.22Å; F13-L37 HydrophobicContact CE2-CD2 4.45Å; L16-L37 HydrophobicContact CD1-CD1 3.97Å; L16-L37 HydrophobicContact CD1-CD2 4.18Å; I35-L37 HydrophobicContact CD1-CB 3.89Å; I35-L37 HydrophobicContact CD1-CD1 4.32Å; I35-L37 HydrophobicContact CD1-CD2 4.46Å; I35-L37 HydrophobicContact CD1-CG 4.46Å; I35-L37 HydrophobicContact CG1-CB 4.41Å; L37-L53 HydrophobicContact CD2-CD1 4.5Å; L37-V65 HydrophobicContact CD2-CB 4.25Å; L37-V65 HydrophobicContact CD2-CG1 3.88Å; L37-V65 HydrophobicContact CD2-CG2 4.19Å; L37-Q91 VanDerWaalsContact O-CA 3.31Å; L37-Q91 WeakPolarHBondContact O-CA 3.43Å; L37-F92 PolarHBondContact N-O 2.92Å; L37-F92 PolarHBondContact O-N 3.34Å; L37-L107 HydrophobicContact CB-CD2 4.14Å; L37-L107 HydrophobicContact CD2-CD2 4.29Å |
| 38 | L | 97.5 | Very high | 92 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.1 | 168.5 | -178.6 | 69.1 | 0 | 0 | 0 | 109.4 | L89 I90 Q91 M115 L120 Y123 | L38-L89 HydrophobicContact CD1-CB 4.31Å; L38-I90 WeakPolarHBondContact CA-O 3.5Å; L38-Q91 HydrophobicContact CD1-CB 4.25Å; L38-M115 HydrophobicContact CD1-CB 3.78Å; L38-M115 HydrophobicContact CD1-CG 3.9Å; L38-L120 HydrophobicContact CD2-CD2 3.77Å; L38-Y123 HydrophobicContact CB-CD1 4.16Å; L38-Y123 HydrophobicContact CB-CE1 3.51Å; L38-Y123 HydrophobicContact CB-CE2 4.06Å; L38-Y123 VanDerWaalsContact CB-CZ 3.45Å; L38-Y123 HydrophobicContact CD2-CD1 3.58Å; L38-Y123 HydrophobicContact CD2-CD2 3.93Å; L38-Y123 HydrophobicContact CD2-CE1 3.85Å; L38-Y123 HydrophobicContact CD2-CE2 4.2Å; L38-Y123 HydrophobicContact CD2-CG 3.61Å; L38-Y123 HydrophobicContact CG-CE1 4.34Å; L38-Y123 PolarHBondContact N-OH 2.85Å |
| 39 | G | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I90 | G39-I90 PolarHBondContact N-O 3.27Å; G39-I90 PolarHBondContact O-N 3.48Å |
| 40 | R | 95.6 | Very high | 92.9 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 123.9 | 164.9 | -69.6 | 179.1 | 90.7 | -131.6 | -3.3 | 108.3 | S42 L53 L54 P56 E87 R88 L89 | R40-S42 PolarHBondContact O-N 3.36Å; R40-L53 WeakPolarHBondContact O-CA 3.31Å; R40-L54 HydrophobicContact CB-CB 4.48Å; R40-L54 PolarHBondContact N-O 3.25Å; R40-L54 PolarHBondContact O-N 3.27Å; R40-P56 HydrophobicContact CG-CB 4.06Å; R40-E87 IonicContact CZ-OE2 2.96Å; R40-E87 IonicContact NH1-OE2 2.66Å; R40-E87 PolarHBondContact NH1-OE2 2.92Å; R40-E87 PolarHBondContact NH2-O 2.77Å; R40-E87 IonicContact NH2-OE2 2.69Å; R40-E87 PolarHBondContact NH2-OE2 3.28Å; R40-R88 WeakPolarHBondContact CA-O 3.42Å; R40-L89 HydrophobicContact CG-CD2 3.72Å |
| 41 | F | 95.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 130.3 | 174.2 | -177.9 | -79.2 | 0 | 0 | 0 | 109.2 | F44 V51 F80 A85 E87 R88 I90 | F41-F44 HydrophobicContact CE2-CB 4.11Å; F41-F44 HydrophobicContact CZ-CB 3.57Å; F41-V51 HydrophobicContact CD2-CG1 3.58Å; F41-V51 HydrophobicContact CE2-CB 4.46Å; F41-V51 HydrophobicContact CE2-CG1 3.62Å; F41-V51 HydrophobicContact CE2-CG2 4.04Å; F41-F80 HydrophobicContact CD2-CD1 4.35Å; F41-F80 HydrophobicContact CE2-CB 3.73Å; F41-F80 AromaticContact CE2-CD1 3.8Å; F41-F80 HydrophobicContact CE2-CD1 3.8Å; F41-F80 AromaticContact CE2-CG 3.91Å; F41-F80 HydrophobicContact CE2-CG 3.91Å; F41-F80 HydrophobicContact CZ-CB 3.86Å; F41-A85 WeakPolarHBondContact CB-O 3.34Å; F41-A85 HydrophobicContact CD1-CB 4.01Å; F41-A85 WeakPolarHBondContact CD1-O 3.4Å; F41-A85 HydrophobicContact CE1-CB 3.74Å; F41-A85 HydrophobicContact CE2-CB 4.44Å; F41-A85 HydrophobicContact CG-CB 4.45Å; F41-A85 HydrophobicContact CZ-CB 3.95Å; F41-E87 WeakPolarHBondContact O-CA 3.4Å; F41-E87 PolarHBondContact O-N 2.92Å; F41-R88 PolarHBondContact N-O 3.29Å; F41-I90 HydrophobicContact CB-CG2 3.95Å |
| 42 | S | 94 | Very high | 94.4 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -43.6 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | R40 E52 N86 | R40-S42 PolarHBondContact O-N 3.36Å; S42-E52 PolarHBondContact N-O 3.46Å; S42-N86 PolarHBondContact O-OD1 2.92Å |
| 43 | A | 94 | Very high | 94.9 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | V51 E52 | A43-V51 CarbonylContact O-C 3.49Å; A43-V51 WeakPolarHBondContact O-CA 3.42Å; A43-E52 HydrophobicContact CB-CB 4.06Å; A43-E52 PolarHBondContact O-N 3.36Å |
| 44 | F | 94.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 123.9 | 169.7 | 172.5 | -125.2 | 0 | 0 | 0 | 110.1 | F41 A46 L50 V51 V69 K77 F80 S81 | F41-F44 HydrophobicContact CE2-CB 4.11Å; F41-F44 HydrophobicContact CZ-CB 3.57Å; F44-A46 HydrophobicContact CD1-CB 4.45Å; F44-A46 HydrophobicContact CE1-CB 3.82Å; F44-A46 HydrophobicContact CZ-CB 4.1Å; F44-L50 WeakPolarHBondContact CA-O 3.38Å; F44-L50 WeakPolarHBondContact CD2-O 3.49Å; F44-V51 HydrophobicContact CB-CG2 4.32Å; F44-V51 HydrophobicContact CD2-CG2 3.55Å; F44-V51 HydrophobicContact CE2-CG2 4.26Å; F44-V51 HydrophobicContact CG-CG2 4.28Å; F44-V69 HydrophobicContact CE2-CG2 3.81Å; F44-K77 HydrophobicContact CZ-CB 4.19Å; F44-F80 HydrophobicContact CB-CB 3.88Å; F44-F80 HydrophobicContact CD1-CB 3.55Å; F44-F80 HydrophobicContact CD2-CB 4.17Å; F44-F80 HydrophobicContact CD2-CD2 4.22Å; F44-F80 HydrophobicContact CE1-CB 4.07Å; F44-F80 HydrophobicContact CE2-CD2 4.17Å; F44-F80 HydrophobicContact CG-CB 3.6Å; F44-F80 HydrophobicContact CG-CD2 4.49Å; F44-F80 HydrophobicContact CG-CG 4.49Å; F44-F80 HydrophobicContact CZ-CD2 4.37Å; F44-S81 WeakPolarHBondContact CE1-OG 3.3Å |
| 45 | E | 93.9 | Very high | 95.3 | Very high | 113 Ų | 113 | 39 Ų | 39 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 102.7 | 172.6 | -172.4 | -179.8 | -156.5 | 0 | 0 | 108.4 | D47 S48 N49 L50 | E45-D47 PolarHBondContact O-N 2.88Å; E45-S48 WeakPolarHBondContact CB-OG 3.29Å; E45-S48 VanDerWaalsContact CG-OG 3.23Å; E45-S48 WeakPolarHBondContact CG-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.06Å; E45-S48 PolarHBondContact O-OG 2.9Å; E45-S48 PolarHBondContact OE2-OG 2.74Å; E45-N49 PolarHBondContact O-N 2.76Å; E45-L50 PolarHBondContact N-O 2.96Å; E45-L50 PolarHBondContact O-N 2.9Å; E45-L50 VanDerWaalsContact O-N 3.14Å |
| 46 | A | 91.7 | Very high | 95.3 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -41.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F44 S48 N49 | F44-A46 HydrophobicContact CD1-CB 4.45Å; F44-A46 HydrophobicContact CE1-CB 3.82Å; F44-A46 HydrophobicContact CZ-CB 4.1Å; A46-S48 VanDerWaalsContact C-N 3.29Å; A46-S48 PolarHBondContact O-N 2.96Å; A46-N49 PolarHBondContact O-N 2.78Å |
| 47 | D | 92.6 | Very high | 95.1 | Very high | 160 Ų | 160 | 39.1 Ų | 39.1 | 86% | 0.856 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -35.7 | -176.5 | -64.2 | -23.2 | 0 | 0 | 0 | 112.2 | E45 | E45-D47 PolarHBondContact O-N 2.88Š|
| 48 | S | 94.7 | Very high | 94.9 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.8 | -179.8 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | E45 A46 L50 | E45-S48 WeakPolarHBondContact CB-OG 3.29Å; E45-S48 VanDerWaalsContact CG-OG 3.23Å; E45-S48 WeakPolarHBondContact CG-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.06Å; E45-S48 PolarHBondContact O-OG 2.9Å; E45-S48 PolarHBondContact OE2-OG 2.74Å; A46-S48 VanDerWaalsContact C-N 3.29Å; A46-S48 PolarHBondContact O-N 2.96Å; S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 WeakPolarHBondContact OG-CB 3.28Å; S48-L50 VanDerWaalsContact OG-CG 3.28Å; S48-L50 WeakPolarHBondContact OG-CG 3.45Å |
| 49 | N | 95.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 41.6 | -170.9 | -61.1 | -88.8 | 0 | 0 | 0 | 112.8 | E45 A46 V69 K70 K77 | E45-N49 PolarHBondContact O-N 2.76Å; A46-N49 PolarHBondContact O-N 2.78Å; N49-V69 HydrophobicContact CB-CG2 4.17Å; N49-V69 VanDerWaalsContact O-CG2 3.28Å; N49-V69 WeakPolarHBondContact O-CG2 3.14Å; N49-V69 PolarHBondContact O-N 2.78Å; N49-K70 HydrophobicContact CB-CB 4.32Å; N49-K77 WeakPolarHBondContact OD1-CD 3.13Å; N49-K77 WeakPolarHBondContact OD1-CE 3.3Å; N49-K77 PolarHBondContact OD1-NZ 3.3Å |
| 50 | L | 95.8 | Very high | 94.1 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.3 | -178.3 | -61.4 | -179.2 | 0 | 0 | 0 | 111.6 | F44 E45 S48 I66 V67 N68 | F44-L50 WeakPolarHBondContact CA-O 3.38Å; F44-L50 WeakPolarHBondContact CD2-O 3.49Å; E45-L50 PolarHBondContact N-O 2.96Å; E45-L50 PolarHBondContact O-N 2.9Å; E45-L50 VanDerWaalsContact O-N 3.14Å; S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 WeakPolarHBondContact OG-CB 3.28Å; S48-L50 VanDerWaalsContact OG-CG 3.28Å; S48-L50 WeakPolarHBondContact OG-CG 3.45Å; L50-I66 HydrophobicContact CB-CG2 4.26Å; L50-I66 HydrophobicContact CD1-CG2 4.16Å; L50-I66 HydrophobicContact CD2-CG2 3.92Å; L50-I66 HydrophobicContact CG-CG2 4.33Å; L50-V67 CarbonylContact C-O 3.5Å; L50-V67 WeakPolarHBondContact CA-O 3.33Å; L50-N68 HydrophobicContact CD2-CB 4.02Å |
| 51 | V | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.7 | 171.1 | 170.8 | 0 | 0 | 0 | 0 | 108.9 | F41 A43 F44 L53 V67 V69 F80 F92 | F41-V51 HydrophobicContact CD2-CG1 3.58Å; F41-V51 HydrophobicContact CE2-CB 4.46Å; F41-V51 HydrophobicContact CE2-CG1 3.62Å; F41-V51 HydrophobicContact CE2-CG2 4.04Å; A43-V51 CarbonylContact O-C 3.49Å; A43-V51 WeakPolarHBondContact O-CA 3.42Å; F44-V51 HydrophobicContact CB-CG2 4.32Å; F44-V51 HydrophobicContact CD2-CG2 3.55Å; F44-V51 HydrophobicContact CE2-CG2 4.26Å; F44-V51 HydrophobicContact CG-CG2 4.28Å; V51-L53 HydrophobicContact CG1-CD2 4.14Å; V51-L53 HydrophobicContact CG1-CG 4.47Å; V51-V67 HydrophobicContact CB-CB 4.18Å; V51-V67 PolarHBondContact N-O 3.02Å; V51-V67 PolarHBondContact O-N 3.23Å; V51-V69 HydrophobicContact CG2-CG1 3.93Å; V51-V69 HydrophobicContact CG2-CG2 4.23Å; V51-F80 HydrophobicContact CG2-CD2 3.88Å; V51-F80 HydrophobicContact CG2-CE2 4.18Å; V51-F80 HydrophobicContact CG2-CG 4.23Å; V51-F92 HydrophobicContact CG1-CE2 4.33Å; V51-F92 HydrophobicContact CG1-CZ 4.28Å |
| 52 | E | 95.3 | Very high | 93.7 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.1 | 170.6 | -172.5 | 171.5 | 88.8 | 0 | 0 | 110.3 | S42 A43 C64 I66 | S42-E52 PolarHBondContact N-O 3.46Å; A43-E52 HydrophobicContact CB-CB 4.06Å; A43-E52 PolarHBondContact O-N 3.36Å; E52-C64 HydrophobicContact CG-CB 3.61Å; E52-C64 PolarHBondContact OE2-SG 2.74Å; E52-I66 HydrophobicContact CG-CD1 4.33Å |
| 53 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134 | 172 | -66.5 | -175.9 | 0 | 0 | 0 | 112 | F13 L37 R40 V51 C64 V65 V67 I90 F92 | F13-L53 HydrophobicContact CE2-CB 3.83Å; F13-L53 WeakPolarHBondContact CZ-O 3.28Å; L37-L53 HydrophobicContact CD2-CD1 4.5Å; R40-L53 WeakPolarHBondContact O-CA 3.31Å; V51-L53 HydrophobicContact CG1-CD2 4.14Å; V51-L53 HydrophobicContact CG1-CG 4.47Å; L53-C64 CarbonylContact O-C 3.56Å; L53-C64 WeakPolarHBondContact O-CA 3.28Å; L53-C64 VanDerWaalsContact O-CB 3.28Å; L53-C64 WeakPolarHBondContact O-CB 3.22Å; L53-V65 HydrophobicContact CB-CB 4.44Å; L53-V65 PolarHBondContact N-O 2.79Å; L53-V65 PolarHBondContact O-N 2.67Å; L53-V67 HydrophobicContact CD1-CG2 3.46Å; L53-V67 VanDerWaalsContact CD1-CG2 3.46Å; L53-V67 HydrophobicContact CG-CG2 3.68Å; L53-I90 HydrophobicContact CD2-CG2 3.47Å; L53-I90 VanDerWaalsContact CD2-CG2 3.47Å; L53-F92 HydrophobicContact CD1-CD2 3.77Å; L53-F92 HydrophobicContact CD1-CE2 4.09Å; L53-F92 HydrophobicContact CD2-CE2 4.06Å; L53-F92 HydrophobicContact CG-CE2 4.39Å |
| 54 | L | 95.9 | Very high | 93.6 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 161.4 | 169 | -61.5 | 177.7 | 0 | 0 | 0 | 111 | R40 C64 | R40-L54 HydrophobicContact CB-CB 4.48Å; R40-L54 PolarHBondContact N-O 3.25Å; R40-L54 PolarHBondContact O-N 3.27Å; L54-C64 HydrophobicContact CD2-CB 3.96Å |
| 55 | S | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -61.5 | 132.6 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | D14 F57 Q58 G59 | D14-S55 PolarHBondContact OD1-OG 2.88Å; D14-S55 PolarHBondContact OD2-OG 2.66Å; S55-F57 PolarHBondContact O-N 3.37Å; S55-F57 PolarHBondContact OG-N 2.9Å; S55-F57 VanDerWaalsContact OG-N 3.09Å; S55-Q58 PolarHBondContact OG-N 2.48Å; S55-G59 PolarHBondContact N-O 2.66Å; S55-G59 VanDerWaalsContact O-CA 3.27Å; S55-G59 WeakPolarHBondContact O-CA 3.23Å; S55-G59 PolarHBondContact O-N 3.47Å |
| 56 | P | 95 | Very high | 93.7 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.7 | 172.7 | 28 | -27.2 | 0 | 0 | 0 | 113.2 | F13 R40 L89 L120 | F13-P56 HydrophobicContact CB-CG 4.48Å; R40-P56 HydrophobicContact CG-CB 4.06Å; P56-L89 HydrophobicContact CB-CD2 3.74Å; P56-L120 HydrophobicContact CB-CD1 4.22Å; P56-L120 HydrophobicContact CB-CD2 3.98Å; P56-L120 WeakPolarHBondContact O-CD1 3.35Å |
| 57 | F | 92.9 | Very high | 94 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -35.8 | -177.3 | -60 | -79 | 0 | 0 | 0 | 113.3 | L12 D14 S55 L120 R124 | L12-F57 HydrophobicContact CD2-CE2 4.45Å; D14-F57 WeakPolarHBondContact OD2-CD2 3.41Å; S55-F57 PolarHBondContact O-N 3.37Å; S55-F57 PolarHBondContact OG-N 2.9Å; S55-F57 VanDerWaalsContact OG-N 3.09Å; F57-L120 HydrophobicContact CD1-CB 4.34Å; F57-L120 HydrophobicContact CD1-CD1 4.03Å; F57-L120 HydrophobicContact CE1-CB 3.45Å; F57-L120 VanDerWaalsContact CE1-CB 3.45Å; F57-L120 HydrophobicContact CE1-CD1 3.91Å; F57-L120 HydrophobicContact CE1-CG 4.19Å; F57-L120 HydrophobicContact CZ-CB 3.83Å; F57-L120 HydrophobicContact CZ-CD1 4.47Å; F57-L120 HydrophobicContact CZ-CD2 4.41Å; F57-L120 HydrophobicContact CZ-CG 4.48Å; F57-R124 HydrophobicContact CE1-CG 4.16Å; F57-R124 VanDerWaalsContact CE1-NH2 3.3Å; F57-R124 HydrophobicContact CZ-CG 3.74Å |
| 58 | Q | 93.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 36 Ų | 36 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -4.1 | -173.7 | -64.3 | -173.8 | 30 | 0 | 0 | 113.1 | D14 S55 S60 A61 I62 | D14-Q58 VanDerWaalsContact OD1-CD 3.27Å; D14-Q58 WeakPolarHBondContact OD1-CG 3.44Å; D14-Q58 PolarHBondContact OD1-NE2 3.34Å; S55-Q58 PolarHBondContact OG-N 2.48Å; Q58-S60 PolarHBondContact O-N 3.37Å; Q58-A61 HydrophobicContact CB-CB 4.3Å; Q58-A61 VanDerWaalsContact O-CB 3.29Å; Q58-A61 WeakPolarHBondContact O-CB 3.16Å; Q58-A61 PolarHBondContact O-N 3.04Å; Q58-A61 VanDerWaalsContact O-N 3.07Å; Q58-I62 HydrophobicContact CB-CD1 4.43Å; Q58-I62 HydrophobicContact CB-CG1 4.3Å |
| 59 | G | 89.8 | Confident | 94.3 | Very high | 18 Ų | 18 | 34 Ų | 34 | 19% | 0.186 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | 56.4 | -126.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S55 A61 | S55-G59 PolarHBondContact N-O 2.66Å; S55-G59 VanDerWaalsContact O-CA 3.27Å; S55-G59 WeakPolarHBondContact O-CA 3.23Å; S55-G59 PolarHBondContact O-N 3.47Å; G59-A61 VanDerWaalsContact C-N 3.33Å |
| 60 | S | 88.9 | Confident | 94.3 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 74% | 0.741 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.6 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | Q58 I62 | Q58-S60 PolarHBondContact O-N 3.37Å; S60-I62 PolarHBondContact O-N 2.94Å |
| 61 | A | 90.5 | Very high | 94.3 | Very high | 82 Ų | 82 | 41 Ų | 41 | 68% | 0.678 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q58 G59 | Q58-A61 HydrophobicContact CB-CB 4.3Å; Q58-A61 VanDerWaalsContact O-CB 3.29Å; Q58-A61 WeakPolarHBondContact O-CB 3.16Å; Q58-A61 PolarHBondContact O-N 3.04Å; Q58-A61 VanDerWaalsContact O-N 3.07Å; G59-A61 VanDerWaalsContact C-N 3.33Å |
| 62 | I | 90.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -126.2 | 157.3 | 171.9 | 62.1 | 177.9 | 0 | 0 | 0 | 111.2 | F13 D14 Y17 Q58 S60 | F13-I62 HydrophobicContact CD1-CD1 3.89Å; F13-I62 HydrophobicContact CE1-CD1 4.09Å; F13-I62 HydrophobicContact CE1-CG1 4.25Å; D14-I62 HydrophobicContact CB-CD1 3.99Å; D14-I62 WeakPolarHBondContact OD1-CD1 3.36Å; Y17-I62 HydrophobicContact CD2-CB 4.43Å; Y17-I62 HydrophobicContact CD2-CD1 3.81Å; Y17-I62 HydrophobicContact CD2-CG1 4.43Å; Y17-I62 HydrophobicContact CE2-CD1 4.28Å; Q58-I62 HydrophobicContact CB-CD1 4.43Å; Q58-I62 HydrophobicContact CB-CG1 4.3Å; S60-I62 PolarHBondContact O-N 2.94Å |
| 63 | P | 92.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -57.7 | 144.2 | -176.7 | -23.3 | 33.6 | 0 | 0 | 0 | 112.8 | Y17 | Y17-P63 HydrophobicContact CD1-CG 4.24Å; Y17-P63 HydrophobicContact CE1-CB 3.78Å; Y17-P63 HydrophobicContact CE1-CG 3.85Å; Y17-P63 WeakPolarHBondContact CE2-O 3.42Å; Y17-P63 PolarHBondContact OH-O 3.48Å |
| 64 | C | 93.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 10% | 0.095 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 156.6 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | Y17 E52 L53 L54 | Y17-C64 PolarHBondContact OH-O 2.71Å; Y17-C64 VanDerWaalsContact OH-O 3.13Å; E52-C64 HydrophobicContact CG-CB 3.61Å; E52-C64 PolarHBondContact OE2-SG 2.74Å; L53-C64 CarbonylContact O-C 3.56Å; L53-C64 WeakPolarHBondContact O-CA 3.28Å; L53-C64 VanDerWaalsContact O-CB 3.28Å; L53-C64 WeakPolarHBondContact O-CB 3.22Å; L54-C64 HydrophobicContact CD2-CB 3.96Å |
| 65 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.3 | 168.1 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | F13 L16 L37 L53 V67 L107 | F13-V65 HydrophobicContact CD2-CG2 4.35Å; F13-V65 HydrophobicContact CE1-CG2 4.11Å; F13-V65 HydrophobicContact CE2-CB 3.84Å; F13-V65 HydrophobicContact CE2-CG2 3.57Å; F13-V65 HydrophobicContact CZ-CB 3.95Å; F13-V65 HydrophobicContact CZ-CG2 3.45Å; F13-V65 VanDerWaalsContact CZ-CG2 3.45Å; L16-V65 HydrophobicContact CD1-CG2 3.92Å; L37-V65 HydrophobicContact CD2-CB 4.25Å; L37-V65 HydrophobicContact CD2-CG1 3.88Å; L37-V65 HydrophobicContact CD2-CG2 4.19Å; L53-V65 HydrophobicContact CB-CB 4.44Å; L53-V65 PolarHBondContact N-O 2.79Å; L53-V65 PolarHBondContact O-N 2.67Å; V65-V67 HydrophobicContact CG1-CG2 4.4Å; V65-L107 HydrophobicContact CG1-CB 4.26Å |
| 66 | I | 96.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.8 | 176.5 | -56.8 | -56.5 | 0 | 0 | 0 | 108.6 | L50 E52 Y105 H106 L107 | L50-I66 HydrophobicContact CB-CG2 4.26Å; L50-I66 HydrophobicContact CD1-CG2 4.16Å; L50-I66 HydrophobicContact CD2-CG2 3.92Å; L50-I66 HydrophobicContact CG-CG2 4.33Å; E52-I66 HydrophobicContact CG-CD1 4.33Å; I66-Y105 PolarHBondContact N-O 2.95Å; I66-Y105 VanDerWaalsContact N-O 3.15Å; I66-H106 CarbonylContact O-C 3.43Å; I66-H106 VanDerWaalsContact O-CA 3.25Å; I66-H106 WeakPolarHBondContact O-CA 3.34Å; I66-L107 PolarHBondContact O-N 2.95Å |
| 67 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.1 | -178.2 | -173 | 0 | 0 | 0 | 0 | 109.5 | L50 V51 L53 V65 V69 F92 L107 A109 | L50-V67 CarbonylContact C-O 3.5Å; L50-V67 WeakPolarHBondContact CA-O 3.33Å; V51-V67 HydrophobicContact CB-CB 4.18Å; V51-V67 PolarHBondContact N-O 3.02Å; V51-V67 PolarHBondContact O-N 3.23Å; L53-V67 HydrophobicContact CD1-CG2 3.46Å; L53-V67 VanDerWaalsContact CD1-CG2 3.46Å; L53-V67 HydrophobicContact CG-CG2 3.68Å; V65-V67 HydrophobicContact CG1-CG2 4.4Å; V67-V69 HydrophobicContact CG1-CG1 4.06Å; V67-F92 HydrophobicContact CG1-CD1 3.87Å; V67-F92 HydrophobicContact CG1-CD2 4.25Å; V67-F92 HydrophobicContact CG1-CE1 3.99Å; V67-F92 HydrophobicContact CG1-CE2 4.35Å; V67-F92 HydrophobicContact CG1-CG 3.97Å; V67-F92 HydrophobicContact CG1-CZ 4.22Å; V67-F92 HydrophobicContact CG2-CD2 4.36Å; V67-F92 HydrophobicContact CG2-CE2 4.48Å; V67-L107 CarbonylContact C-O 3.56Å; V67-L107 VanDerWaalsContact CA-O 3.22Å; V67-L107 WeakPolarHBondContact CA-O 3.22Å; V67-L107 HydrophobicContact CB-CB 4.5Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD2 4.21Å; V67-L107 HydrophobicContact CG1-CG 4.4Å; V67-L107 WeakPolarHBondContact CG1-O 3.4Å; V67-L107 HydrophobicContact CG2-CB 4.15Å; V67-L107 HydrophobicContact CG2-CD2 4.24Å; V67-A109 HydrophobicContact CG1-CB 3.67Å |
| 68 | N | 96.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 117.5 | 172 | -171.9 | -31.4 | 0 | 0 | 0 | 109.8 | L50 K70 L107 A109 | L50-N68 HydrophobicContact CD2-CB 4.02Å; N68-K70 WeakPolarHBondContact OD1-CB 3.39Å; N68-K70 WeakPolarHBondContact OD1-CG 3.49Å; N68-K70 PolarHBondContact OD1-N 2.82Å; N68-L107 PolarHBondContact N-O 2.89Å; N68-A109 PolarHBondContact O-N 3.14Å |
| 69 | V | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -105.5 | 18.4 | -177.2 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | F44 N49 V51 V67 Y71 L72 K77 F80 F92 A109 | F44-V69 HydrophobicContact CE2-CG2 3.81Å; N49-V69 HydrophobicContact CB-CG2 4.17Å; N49-V69 VanDerWaalsContact O-CG2 3.28Å; N49-V69 WeakPolarHBondContact O-CG2 3.14Å; N49-V69 PolarHBondContact O-N 2.78Å; V51-V69 HydrophobicContact CG2-CG1 3.93Å; V51-V69 HydrophobicContact CG2-CG2 4.23Å; V67-V69 HydrophobicContact CG1-CG1 4.06Å; V69-Y71 PolarHBondContact O-N 2.78Å; V69-L72 HydrophobicContact CB-CD1 3.79Å; V69-L72 HydrophobicContact CB-CG 4.09Å; V69-L72 HydrophobicContact CG1-CD1 3.91Å; V69-L72 WeakPolarHBondContact O-CB 3.27Å; V69-L72 PolarHBondContact O-N 3.15Å; V69-K77 HydrophobicContact CG2-CG 4.39Å; V69-K77 VanDerWaalsContact O-CE 3.24Å; V69-K77 WeakPolarHBondContact O-CE 3.27Å; V69-F80 HydrophobicContact CB-CE2 4.17Å; V69-F80 HydrophobicContact CG1-CE2 3.91Å; V69-F80 HydrophobicContact CG1-CZ 4.47Å; V69-F80 HydrophobicContact CG2-CD2 4.39Å; V69-F80 HydrophobicContact CG2-CE2 4.13Å; V69-F92 HydrophobicContact CG1-CE1 3.73Å; V69-F92 HydrophobicContact CG1-CZ 4.2Å; V69-A109 HydrophobicContact CG1-CB 4.2Å | ||
| 70 | K | 96 | Very high | 93.4 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.1 | -176.4 | 69.2 | -175.3 | 178.1 | 171 | 0 | 114.9 | N49 N68 | N49-K70 HydrophobicContact CB-CB 4.32Å; N68-K70 WeakPolarHBondContact OD1-CB 3.39Å; N68-K70 WeakPolarHBondContact OD1-CG 3.49Å; N68-K70 PolarHBondContact OD1-N 2.82Å |
| 71 | Y | 96.2 | Very high | 93.2 | Very high | 141 Ų | 141 | 55.4 Ų | 55.4 | 55% | 0.553 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -4.7 | -179.2 | -61.6 | -52.7 | 0 | 0 | 0 | 113.8 | V69 T108 F110 | V69-Y71 PolarHBondContact O-N 2.78Å; Y71-T108 HydrophobicContact CD2-CG2 3.68Å; Y71-T108 HydrophobicContact CE2-CG2 3.52Å; Y71-F110 AromaticContact CD2-CD1 3.99Å; Y71-F110 HydrophobicContact CD2-CD1 3.99Å; Y71-F110 AromaticContact CD2-CE1 3.85Å; Y71-F110 HydrophobicContact CD2-CE1 3.85Å; Y71-F110 HydrophobicContact CE2-CE1 4.08Å |
| 72 | L | 95.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -77.4 | 153.1 | 171.2 | -56.7 | -172.1 | 0 | 0 | 0 | 110.2 | V69 Q76 K77 F80 F92 F110 F112 | V69-L72 HydrophobicContact CB-CD1 3.79Å; V69-L72 HydrophobicContact CB-CG 4.09Å; V69-L72 HydrophobicContact CG1-CD1 3.91Å; V69-L72 WeakPolarHBondContact O-CB 3.27Å; V69-L72 PolarHBondContact O-N 3.15Å; L72-Q76 HydrophobicContact CB-CB 4.03Å; L72-K77 HydrophobicContact CB-CG 4.27Å; L72-K77 WeakPolarHBondContact O-CE 3.48Å; L72-F80 HydrophobicContact CD1-CE2 3.83Å; L72-F80 HydrophobicContact CD1-CZ 3.85Å; L72-F92 HydrophobicContact CD1-CE1 4.48Å; L72-F110 WeakPolarHBondContact CD2-O 3.47Å; L72-F112 HydrophobicContact CD1-CD1 3.52Å; L72-F112 HydrophobicContact CD1-CE1 3.88Å; L72-F112 HydrophobicContact CD2-CD1 4.48Å |
| 73 | T | 94.5 | Very high | 91.5 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | trans | -68.9 | 158.3 | 173.4 | 62 | 0 | 0 | 0 | 0 | 111.5 | N75 Q76 K77 | T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 3.45Å; T73-Q76 WeakPolarHBondContact O-CA 3.48Å; T73-Q76 VanDerWaalsContact O-CB 3.27Å; T73-Q76 WeakPolarHBondContact O-CB 3.35Å; T73-Q76 PolarHBondContact O-N 3.43Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.5Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.48Å; T73-Q76 PolarHBondContact OG1-N 2.86Å; T73-Q76 PolarHBondContact OG1-OE1 3.3Å; T73-K77 WeakPolarHBondContact O-CG 3.48Å; T73-K77 PolarHBondContact O-N 3.34Å | ||
| 74 | E | 92.4 | Very high | 90.7 | Very high | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.5 | -38.2 | 176.9 | -64.4 | -51.8 | 124 | 0 | 0 | 112.4 | Q76 K77 Q78 | E74-Q76 PolarHBondContact O-N 3.13Å; E74-K77 PolarHBondContact O-N 2.98Å; E74-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 IonicContact OE1-NZ 2.75Å; E74-K77 PolarHBondContact OE1-NZ 3.27Å; E74-Q78 PolarHBondContact O-N 3.04Å |
| 75 | N | 92.1 | Very high | 89.9 | Confident | 127 Ų | 127 | 63.3 Ų | 63.3 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | 174 | -68.6 | -8.2 | 0 | 0 | 0 | 112 | T73 | T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 3.45Å |
| 76 | Q | 92.1 | Very high | 89.3 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 175.3 | -86.3 | 172.3 | -42.7 | 0 | 0 | 112 | L72 T73 E74 Q78 C79 F112 | L72-Q76 HydrophobicContact CB-CB 4.03Å; T73-Q76 WeakPolarHBondContact O-CA 3.48Å; T73-Q76 VanDerWaalsContact O-CB 3.27Å; T73-Q76 WeakPolarHBondContact O-CB 3.35Å; T73-Q76 PolarHBondContact O-N 3.43Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.5Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.48Å; T73-Q76 PolarHBondContact OG1-N 2.86Å; T73-Q76 PolarHBondContact OG1-OE1 3.3Å; E74-Q76 PolarHBondContact O-N 3.13Å; Q76-Q78 VanDerWaalsContact C-N 3.31Å; Q76-Q78 PolarHBondContact O-N 3.42Å; Q76-C79 VanDerWaalsContact O-CB 3.25Å; Q76-C79 WeakPolarHBondContact O-CB 3.15Å; Q76-C79 PolarHBondContact O-N 2.89Å; Q76-F112 HydrophobicContact CB-CE1 3.77Å; Q76-F112 HydrophobicContact CB-CZ 4.43Å; Q76-F112 HydrophobicContact CG-CE1 3.88Å |
| 77 | K | 92.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.3 | -30.1 | 177.6 | -65.1 | 174.6 | -167.2 | 167.9 | 0 | 112.7 | F44 N49 V69 L72 T73 E74 C79 F80 | F44-K77 HydrophobicContact CZ-CB 4.19Å; N49-K77 WeakPolarHBondContact OD1-CD 3.13Å; N49-K77 WeakPolarHBondContact OD1-CE 3.3Å; N49-K77 PolarHBondContact OD1-NZ 3.3Å; V69-K77 HydrophobicContact CG2-CG 4.39Å; V69-K77 VanDerWaalsContact O-CE 3.24Å; V69-K77 WeakPolarHBondContact O-CE 3.27Å; L72-K77 HydrophobicContact CB-CG 4.27Å; L72-K77 WeakPolarHBondContact O-CE 3.48Å; T73-K77 WeakPolarHBondContact O-CG 3.48Å; T73-K77 PolarHBondContact O-N 3.34Å; E74-K77 PolarHBondContact O-N 2.98Å; E74-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 IonicContact OE1-NZ 2.75Å; E74-K77 PolarHBondContact OE1-NZ 3.27Å; K77-C79 PolarHBondContact O-N 3.14Å; K77-C79 VanDerWaalsContact O-N 3.17Å; K77-F80 HydrophobicContact CB-CD2 4.49Å; K77-F80 WeakPolarHBondContact O-CB 3.32Å; K77-F80 PolarHBondContact O-N 2.93Å |
| 78 | Q | 91.1 | Very high | 88.6 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.3 | -30.9 | 174.6 | -168.7 | 178.4 | 3.4 | 0 | 0 | 111.7 | E74 Q76 F80 S81 | E74-Q78 PolarHBondContact O-N 3.04Å; Q76-Q78 VanDerWaalsContact C-N 3.31Å; Q76-Q78 PolarHBondContact O-N 3.42Å; Q78-F80 PolarHBondContact O-N 2.93Å; Q78-S81 PolarHBondContact O-N 3.2Å; Q78-S81 VanDerWaalsContact O-N 3.12Å |
| 79 | C | 90.2 | Very high | 88.6 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -21 | 174.4 | -59 | 0 | 0 | 0 | 0 | 114.1 | Q76 K77 T82 F112 F114 | Q76-C79 VanDerWaalsContact O-CB 3.25Å; Q76-C79 WeakPolarHBondContact O-CB 3.15Å; Q76-C79 PolarHBondContact O-N 2.89Å; K77-C79 PolarHBondContact O-N 3.14Å; K77-C79 VanDerWaalsContact O-N 3.17Å; C79-T82 PolarHBondContact O-OG1 3.12Å; C79-F112 HydrophobicContact CB-CE2 4.44Å; C79-F112 HydrophobicContact CB-CZ 4.07Å; C79-F114 HydrophobicContact CB-CE2 4Å; C79-F114 HydrophobicContact CB-CZ 4.35Å |
| 80 | F | 90.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -92.1 | -21.7 | 177.7 | -51 | -36.1 | 0 | 0 | 0 | 112.8 | F41 F44 V51 V69 L72 K77 Q78 T82 I90 F92 F112 F114 | F41-F80 HydrophobicContact CD2-CD1 4.35Å; F41-F80 HydrophobicContact CE2-CB 3.73Å; F41-F80 AromaticContact CE2-CD1 3.8Å; F41-F80 HydrophobicContact CE2-CD1 3.8Å; F41-F80 AromaticContact CE2-CG 3.91Å; F41-F80 HydrophobicContact CE2-CG 3.91Å; F41-F80 HydrophobicContact CZ-CB 3.86Å; F44-F80 HydrophobicContact CB-CB 3.88Å; F44-F80 HydrophobicContact CD1-CB 3.55Å; F44-F80 HydrophobicContact CD2-CB 4.17Å; F44-F80 HydrophobicContact CD2-CD2 4.22Å; F44-F80 HydrophobicContact CE1-CB 4.07Å; F44-F80 HydrophobicContact CE2-CD2 4.17Å; F44-F80 HydrophobicContact CG-CB 3.6Å; F44-F80 HydrophobicContact CG-CD2 4.49Å; F44-F80 HydrophobicContact CG-CG 4.49Å; F44-F80 HydrophobicContact CZ-CD2 4.37Å; V51-F80 HydrophobicContact CG2-CD2 3.88Å; V51-F80 HydrophobicContact CG2-CE2 4.18Å; V51-F80 HydrophobicContact CG2-CG 4.23Å; V69-F80 HydrophobicContact CB-CE2 4.17Å; V69-F80 HydrophobicContact CG1-CE2 3.91Å; V69-F80 HydrophobicContact CG1-CZ 4.47Å; V69-F80 HydrophobicContact CG2-CD2 4.39Å; V69-F80 HydrophobicContact CG2-CE2 4.13Å; L72-F80 HydrophobicContact CD1-CE2 3.83Å; L72-F80 HydrophobicContact CD1-CZ 3.85Å; K77-F80 HydrophobicContact CB-CD2 4.49Å; K77-F80 WeakPolarHBondContact O-CB 3.32Å; K77-F80 PolarHBondContact O-N 2.93Å; Q78-F80 PolarHBondContact O-N 2.93Å; F80-T82 VanDerWaalsContact C-N 3.27Å; F80-T82 PolarHBondContact O-N 2.9Å; F80-I90 HydrophobicContact CD1-CD1 4.38Å; F80-I90 HydrophobicContact CE1-CD1 3.61Å; F80-I90 HydrophobicContact CZ-CD1 4.37Å; F80-F92 HydrophobicContact CE1-CZ 4.27Å; F80-F92 HydrophobicContact CZ-CE1 4.03Å; F80-F92 AromaticContact CZ-CZ 3.97Å; F80-F92 HydrophobicContact CZ-CZ 3.97Å; F80-F112 HydrophobicContact CE1-CD1 4.3Å; F80-F112 AromaticContact CE1-CD2 3.81Å; F80-F112 HydrophobicContact CE1-CD2 3.81Å; F80-F112 HydrophobicContact CE1-CE1 4.12Å; F80-F112 AromaticContact CE1-CE2 3.61Å; F80-F112 HydrophobicContact CE1-CE2 3.61Å; F80-F112 HydrophobicContact CE1-CG 4.14Å; F80-F112 AromaticContact CE1-CZ 3.77Å; F80-F112 HydrophobicContact CE1-CZ 3.77Å; F80-F112 AromaticContact CZ-CD1 3.73Å; F80-F112 HydrophobicContact CZ-CD1 3.73Å; F80-F112 HydrophobicContact CZ-CD2 4.06Å; F80-F112 AromaticContact CZ-CE1 3.68Å; F80-F112 HydrophobicContact CZ-CE1 3.68Å; F80-F112 HydrophobicContact CZ-CE2 4.02Å; F80-F112 AromaticContact CZ-CG 3.91Å; F80-F112 HydrophobicContact CZ-CG 3.91Å; F80-F112 AromaticContact CZ-CZ 3.81Å; F80-F112 HydrophobicContact CZ-CZ 3.81Å; F80-F114 HydrophobicContact CD1-CZ 4.41Å; F80-F114 HydrophobicContact CE1-CZ 4.49Å |
| 81 | S | 83.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -77.5 | -15.4 | -177 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | F44 Q78 | F44-S81 WeakPolarHBondContact CE1-OG 3.3Å; Q78-S81 PolarHBondContact O-N 3.2Å; Q78-S81 VanDerWaalsContact O-N 3.12Å |
| 82 | T | 75.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -78.4 | 133.1 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | C79 F80 T84 A85 | C79-T82 PolarHBondContact O-OG1 3.12Å; F80-T82 VanDerWaalsContact C-N 3.27Å; F80-T82 PolarHBondContact O-N 2.9Å; T82-T84 WeakPolarHBondContact CB-OG1 3.48Å; T82-T84 PolarHBondContact O-N 2.91Å; T82-T84 PolarHBondContact OG1-OG1 3.28Å; T82-T84 VanDerWaalsContact OG1-OG1 3.04Å; T82-A85 VanDerWaalsContact O-CB 3.29Å; T82-A85 WeakPolarHBondContact O-CB 3.31Å; T82-A85 PolarHBondContact O-N 3.49Å |
| 83 | Q | 68.5 | Low | 88.8 | Confident | 190 Ų | 190 | 63.7 Ų | 63.7 | 89% | 0.888 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -52.5 | -23.8 | 173.8 | -71 | -178.4 | -12 | 0 | 0 | 113.2 | A85 N86 | Q83-A85 PolarHBondContact O-N 2.96Å; Q83-N86 PolarHBondContact O-N 2.67Å |
| 84 | T | 76.6 | Confident | 88.9 | Confident | 101 Ų | 101 | 60 Ų | 60 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -67.4 | -16.2 | 175.5 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | T82 N86 R88 | T82-T84 WeakPolarHBondContact CB-OG1 3.48Å; T82-T84 PolarHBondContact O-N 2.91Å; T82-T84 PolarHBondContact OG1-OG1 3.28Å; T82-T84 VanDerWaalsContact OG1-OG1 3.04Å; T84-N86 VanDerWaalsContact C-N 3.28Å; T84-R88 WeakPolarHBondContact O-CD 3.37Å; T84-R88 WeakPolarHBondContact O-CG 3.45Å |
| 85 | A | 77.2 | Confident | 89 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -71.1 | -26.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F41 T82 Q83 E87 R88 | F41-A85 WeakPolarHBondContact CB-O 3.34Å; F41-A85 HydrophobicContact CD1-CB 4.01Å; F41-A85 WeakPolarHBondContact CD1-O 3.4Å; F41-A85 HydrophobicContact CE1-CB 3.74Å; F41-A85 HydrophobicContact CE2-CB 4.44Å; F41-A85 HydrophobicContact CG-CB 4.45Å; F41-A85 HydrophobicContact CZ-CB 3.95Å; T82-A85 VanDerWaalsContact O-CB 3.29Å; T82-A85 WeakPolarHBondContact O-CB 3.31Å; T82-A85 PolarHBondContact O-N 3.49Å; Q83-A85 PolarHBondContact O-N 2.96Å; A85-E87 PolarHBondContact O-N 3.45Å; A85-R88 WeakPolarHBondContact O-CB 3.1Å; A85-R88 PolarHBondContact O-N 2.82Å |
| 86 | N | 82.5 | Confident | 89.2 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 139 | -175.9 | -163.1 | 23.2 | 0 | 0 | 0 | 111.5 | S42 Q83 T84 R88 | S42-N86 PolarHBondContact O-OD1 2.92Å; Q83-N86 PolarHBondContact O-N 2.67Å; T84-N86 VanDerWaalsContact C-N 3.28Å; N86-R88 PolarHBondContact O-N 3.37Å |
| 87 | E | 86.2 | Confident | 89.3 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -0.8 | 177.8 | -60 | -68.9 | 124 | 0 | 0 | 116.1 | R40 F41 A85 | R40-E87 IonicContact CZ-OE2 2.96Å; R40-E87 IonicContact NH1-OE2 2.66Å; R40-E87 PolarHBondContact NH1-OE2 2.92Å; R40-E87 PolarHBondContact NH2-O 2.77Å; R40-E87 IonicContact NH2-OE2 2.69Å; R40-E87 PolarHBondContact NH2-OE2 3.28Å; F41-E87 WeakPolarHBondContact O-CA 3.4Å; F41-E87 PolarHBondContact O-N 2.92Å; A85-E87 PolarHBondContact O-N 3.45Å |
| 88 | R | 93.8 | Very high | 89.2 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 28% | 0.275 | 27% | 0.266 | S | S | . | . | trans | -68.6 | 150.8 | 177.4 | -70.9 | -179.1 | 70.8 | 177.9 | 7.4 | 111.8 | R40 F41 T84 A85 N86 F114 D116 | R40-R88 WeakPolarHBondContact CA-O 3.42Å; F41-R88 PolarHBondContact N-O 3.29Å; T84-R88 WeakPolarHBondContact O-CD 3.37Å; T84-R88 WeakPolarHBondContact O-CG 3.45Å; A85-R88 WeakPolarHBondContact O-CB 3.1Å; A85-R88 PolarHBondContact O-N 2.82Å; N86-R88 PolarHBondContact O-N 3.37Å; R88-F114 HydrophobicContact CB-CD1 4.12Å; R88-F114 HydrophobicContact CB-CE1 4.24Å; R88-D116 WeakPolarHBondContact CB-OD1 3.5Å; R88-D116 IonicContact CZ-OD2 2.65Å; R88-D116 IonicContact NE-OD1 3.09Å; R88-D116 IonicContact NE-OD2 3.62Å; R88-D116 PolarHBondContact NE-OD2 3.37Å; R88-D116 IonicContact NH2-OD2 2.71Å; R88-D116 PolarHBondContact NH2-OD2 3.25Å | ||
| 89 | L | 95.7 | Very high | 88.9 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.2 | 171.3 | -73.1 | 174.4 | 0 | 0 | 0 | 108.9 | L38 R40 P56 F114 M115 D116 L120 | L38-L89 HydrophobicContact CD1-CB 4.31Å; R40-L89 HydrophobicContact CG-CD2 3.72Å; P56-L89 HydrophobicContact CB-CD2 3.74Å; L89-F114 CarbonylContact O-C 3.6Å; L89-F114 WeakPolarHBondContact O-CA 3.48Å; L89-M115 HydrophobicContact CB-CB 4.24Å; L89-M115 PolarHBondContact O-N 3.11Å; L89-D116 PolarHBondContact N-OD1 2.99Å; L89-L120 HydrophobicContact CD1-CD2 3.97Å; L89-L120 HydrophobicContact CD2-CD2 4.08Å |
| 90 | I | 96.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.8 | -178.6 | -174.6 | 165.3 | 0 | 0 | 0 | 109.7 | L38 G39 F41 L53 F80 F92 F112 F114 | L38-I90 WeakPolarHBondContact CA-O 3.5Å; G39-I90 PolarHBondContact N-O 3.27Å; G39-I90 PolarHBondContact O-N 3.48Å; F41-I90 HydrophobicContact CB-CG2 3.95Å; L53-I90 HydrophobicContact CD2-CG2 3.47Å; L53-I90 VanDerWaalsContact CD2-CG2 3.47Å; F80-I90 HydrophobicContact CD1-CD1 4.38Å; F80-I90 HydrophobicContact CE1-CD1 3.61Å; F80-I90 HydrophobicContact CZ-CD1 4.37Å; I90-F92 HydrophobicContact CB-CE2 4.36Å; I90-F92 HydrophobicContact CD1-CD2 4.3Å; I90-F92 HydrophobicContact CD1-CE1 4.28Å; I90-F92 HydrophobicContact CD1-CE2 3.44Å; I90-F92 VanDerWaalsContact CD1-CE2 3.44Å; I90-F92 HydrophobicContact CD1-CZ 3.44Å; I90-F92 VanDerWaalsContact CD1-CZ 3.44Å; I90-F92 HydrophobicContact CG1-CD2 4.03Å; I90-F92 HydrophobicContact CG1-CE2 3.62Å; I90-F92 HydrophobicContact CG1-CZ 4.08Å; I90-F92 HydrophobicContact CG2-CD2 4.33Å; I90-F92 HydrophobicContact CG2-CE2 3.83Å; I90-F112 HydrophobicContact CD1-CB 4.16Å; I90-F112 HydrophobicContact CD1-CD2 3.55Å; I90-F112 HydrophobicContact CD1-CE2 4.31Å; I90-F112 HydrophobicContact CD1-CG 4.12Å; I90-F112 HydrophobicContact CG1-CB 4.28Å; I90-F112 HydrophobicContact CG1-CD2 4.1Å; I90-F114 HydrophobicContact CB-CD1 4.16Å; I90-F114 HydrophobicContact CB-CE1 4.39Å; I90-F114 HydrophobicContact CD1-CD1 4.27Å; I90-F114 HydrophobicContact CD1-CE1 3.92Å; I90-F114 HydrophobicContact CD1-CZ 4.41Å; I90-F114 HydrophobicContact CG1-CD1 4.33Å; I90-F114 HydrophobicContact CG1-CE1 4.46Å |
| 91 | Q | 97.3 | Very high | 87.9 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.2 | 170.1 | 177.6 | 175.3 | 106.5 | 0 | 0 | 109.2 | R36 L37 L38 F112 T113 M115 Y123 | R36-Q91 HydrophobicContact CB-CG 4.43Å; L37-Q91 VanDerWaalsContact O-CA 3.31Å; L37-Q91 WeakPolarHBondContact O-CA 3.43Å; L38-Q91 HydrophobicContact CD1-CB 4.25Å; Q91-F112 CarbonylContact O-C 3.49Å; Q91-F112 WeakPolarHBondContact O-CA 3.5Å; Q91-F112 WeakPolarHBondContact O-CB 3.05Å; Q91-T113 PolarHBondContact N-O 2.97Å; Q91-T113 PolarHBondContact O-N 2.94Å; Q91-M115 HydrophobicContact CB-CG 3.71Å; Q91-M115 HydrophobicContact CB-SD 4.47Å; Q91-Y123 VanDerWaalsContact NE2-CE2 3.33Å; Q91-Y123 PolarHBondContact NE2-OH 3.42Å |
| 92 | F | 97.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.9 | 167.9 | -74.3 | -86 | 0 | 0 | 0 | 110.8 | R36 L37 V51 L53 V67 V69 L72 F80 I90 L107 A109 S111 F112 | R36-F92 CarbonylContact C-O 3.58Å; R36-F92 VanDerWaalsContact CA-O 3.3Å; R36-F92 WeakPolarHBondContact CA-O 3.41Å; L37-F92 PolarHBondContact N-O 2.92Å; L37-F92 PolarHBondContact O-N 3.34Å; V51-F92 HydrophobicContact CG1-CE2 4.33Å; V51-F92 HydrophobicContact CG1-CZ 4.28Å; L53-F92 HydrophobicContact CD1-CD2 3.77Å; L53-F92 HydrophobicContact CD1-CE2 4.09Å; L53-F92 HydrophobicContact CD2-CE2 4.06Å; L53-F92 HydrophobicContact CG-CE2 4.39Å; V67-F92 HydrophobicContact CG1-CD1 3.87Å; V67-F92 HydrophobicContact CG1-CD2 4.25Å; V67-F92 HydrophobicContact CG1-CE1 3.99Å; V67-F92 HydrophobicContact CG1-CE2 4.35Å; V67-F92 HydrophobicContact CG1-CG 3.97Å; V67-F92 HydrophobicContact CG1-CZ 4.22Å; V67-F92 HydrophobicContact CG2-CD2 4.36Å; V67-F92 HydrophobicContact CG2-CE2 4.48Å; V69-F92 HydrophobicContact CG1-CE1 3.73Å; V69-F92 HydrophobicContact CG1-CZ 4.2Å; L72-F92 HydrophobicContact CD1-CE1 4.48Å; F80-F92 HydrophobicContact CE1-CZ 4.27Å; F80-F92 HydrophobicContact CZ-CE1 4.03Å; F80-F92 AromaticContact CZ-CZ 3.97Å; F80-F92 HydrophobicContact CZ-CZ 3.97Å; I90-F92 HydrophobicContact CB-CE2 4.36Å; I90-F92 HydrophobicContact CD1-CD2 4.3Å; I90-F92 HydrophobicContact CD1-CE1 4.28Å; I90-F92 HydrophobicContact CD1-CE2 3.44Å; I90-F92 VanDerWaalsContact CD1-CE2 3.44Å; I90-F92 HydrophobicContact CD1-CZ 3.44Å; I90-F92 VanDerWaalsContact CD1-CZ 3.44Å; I90-F92 HydrophobicContact CG1-CD2 4.03Å; I90-F92 HydrophobicContact CG1-CE2 3.62Å; I90-F92 HydrophobicContact CG1-CZ 4.08Å; I90-F92 HydrophobicContact CG2-CD2 4.33Å; I90-F92 HydrophobicContact CG2-CE2 3.83Å; F92-L107 HydrophobicContact CB-CD2 3.52Å; F92-L107 HydrophobicContact CG-CD2 4.39Å; F92-A109 HydrophobicContact CD1-CB 3.48Å; F92-A109 VanDerWaalsContact CD1-CB 3.48Å; F92-A109 HydrophobicContact CE1-CB 4.04Å; F92-A109 HydrophobicContact CG-CB 4.35Å; F92-S111 WeakPolarHBondContact CA-O 3.25Å; F92-F112 HydrophobicContact CD1-CB 3.5Å; F92-F112 HydrophobicContact CE1-CB 3.51Å; F92-F112 HydrophobicContact CE1-CG 4.18Å; F92-F112 HydrophobicContact CG-CB 4.17Å; F92-F112 HydrophobicContact CZ-CB 4.17Å |
| 93 | I | 97.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | 166.9 | -47.7 | -173 | 0 | 0 | 0 | 107.3 | A8 I35 R36 F110 S111 | A8-I93 HydrophobicContact CB-CG2 3.65Å; I35-I93 WeakPolarHBondContact O-CA 3.5Å; R36-I93 HydrophobicContact CG-CD1 4.4Å; R36-I93 HydrophobicContact CG-CG1 4.12Å; R36-I93 HydrophobicContact CG-CG2 4.43Å; I93-F110 PolarHBondContact O-N 2.87Å; I93-S111 PolarHBondContact N-O 3.4Å; I93-S111 PolarHBondContact O-N 3.45Å |
| 94 | G | 96.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -176.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N34 I35 T108 | N34-G94 WeakPolarHBondContact CA-O 3.41Å; I35-G94 PolarHBondContact N-O 3.46Å; I35-G94 PolarHBondContact O-N 2.89Å; G94-T108 CarbonylContact C-O 3.58Å; G94-T108 WeakPolarHBondContact CA-O 3.21Å |
| 95 | E | 95.3 | Very high | 89.3 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.7 | 175.9 | -78.6 | 177.7 | 168.4 | 0 | 0 | 110.8 | T32 N34 L107 T108 F110 | T32-E95 HydrophobicContact CG2-CB 4.35Å; N34-E95 WeakPolarHBondContact OD1-CG 3.35Å; E95-L107 CarbonylContact O-C 3.51Å; E95-L107 WeakPolarHBondContact O-CA 3.38Å; E95-T108 PolarHBondContact N-O 2.83Å; E95-T108 PolarHBondContact O-N 2.91Å; E95-F110 HydrophobicContact CB-CZ 4.47Å; E95-F110 HydrophobicContact CG-CE2 3.83Å; E95-F110 HydrophobicContact CG-CZ 3.89Å |
| 96 | L | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.1 | 171.9 | -171.5 | 74.2 | 0 | 0 | 0 | 109.6 | L16 F23 I27 T32 L33 I35 Y105 H106 L107 | L16-L96 HydrophobicContact CD1-CD1 4.42Å; L16-L96 HydrophobicContact CD2-CD2 3.57Å; F23-L96 HydrophobicContact CD1-CD2 4.4Å; I27-L96 HydrophobicContact CD1-CD2 3.75Å; I27-L96 HydrophobicContact CD1-CG 3.93Å; T32-L96 CarbonylContact C-O 3.28Å; T32-L96 WeakPolarHBondContact CA-O 3.41Å; L33-L96 HydrophobicContact CB-CB 4.38Å; L33-L96 PolarHBondContact N-O 2.85Å; L33-L96 WeakPolarHBondContact O-CB 3.46Å; L33-L96 PolarHBondContact O-N 2.75Å; I35-L96 HydrophobicContact CD1-CB 3.89Å; I35-L96 HydrophobicContact CD1-CD1 3.99Å; I35-L96 HydrophobicContact CD1-CD2 4.01Å; I35-L96 HydrophobicContact CD1-CG 4.18Å; I35-L96 HydrophobicContact CG1-CB 4.11Å; I35-L96 HydrophobicContact CG2-CB 4.45Å; L96-Y105 HydrophobicContact CD1-CD1 4.06Å; L96-Y105 HydrophobicContact CD1-CG 4.26Å; L96-Y105 HydrophobicContact CD2-CD1 4.03Å; L96-Y105 HydrophobicContact CD2-CE1 4.34Å; L96-Y105 HydrophobicContact CG-CD1 4.1Å; L96-H106 CarbonylContact C-O 3.55Å; L96-H106 WeakPolarHBondContact CA-O 3.34Å; L96-L107 HydrophobicContact CB-CD1 4.27Å; L96-L107 HydrophobicContact CD1-CD1 4.47Å |
| 97 | S | 94.5 | Very high | 90.9 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 174.9 | 168.7 | 69.9 | 0 | 0 | 0 | 0 | 109.9 | H106 | S97-H106 PolarHBondContact N-O 3.25Å; S97-H106 PolarHBondContact O-N 3.29Å |
| 98 | V | 91.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.9 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 107.8 | R24 I27 R102 Y105 | R24-V98 HydrophobicContact CG-CG2 4.31Å; I27-V98 HydrophobicContact CD1-CG2 4Å; I27-V98 HydrophobicContact CG2-CG2 4.13Å; V98-R102 HydrophobicContact CG1-CB 4.18Å; V98-R102 HydrophobicContact CG1-CG 4.33Å; V98-Y105 HydrophobicContact CG2-CD1 4.14Å; V98-Y105 HydrophobicContact CG2-CE1 3.98Å |
| 99 | S | 85.1 | Confident | 91.6 | Very high | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | trans | -62 | 158.2 | 172.5 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | D101 R102 K103 R104 | S99-D101 VanDerWaalsContact CB-OD1 3.31Å; S99-D101 WeakPolarHBondContact CB-OD1 3.33Å; S99-D101 PolarHBondContact O-N 2.93Å; S99-D101 PolarHBondContact OG-OD1 2.84Å; S99-R102 VanDerWaalsContact O-CA 3.28Å; S99-R102 WeakPolarHBondContact O-CA 3.28Å; S99-R102 PolarHBondContact O-N 2.91Å; S99-K103 PolarHBondContact OG-N 3.17Å; S99-R104 PolarHBondContact N-O 2.93Å; S99-R104 PolarHBondContact OG-N 2.94Å; S99-R104 PolarHBondContact OG-O 3.21Å | ||
| 100 | D | 79.9 | Confident | 91.6 | Very high | 170 Ų | 170 | 52.2 Ų | 52.2 | 91% | 0.909 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.8 | 179.9 | -66.4 | -31.4 | 0 | 0 | 0 | 112.8 | R102 | D100-R102 PolarHBondContact O-N 3.12Š|
| 101 | D | 79 | Confident | 91.6 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -4.8 | 173.7 | 76.6 | -9.9 | 0 | 0 | 0 | 113.2 | S99 K103 | S99-D101 VanDerWaalsContact CB-OD1 3.31Å; S99-D101 WeakPolarHBondContact CB-OD1 3.33Å; S99-D101 PolarHBondContact O-N 2.93Å; S99-D101 PolarHBondContact OG-OD1 2.84Å; D101-K103 PolarHBondContact O-N 3.13Å; D101-K103 VanDerWaalsContact O-N 3.09Å; D101-K103 PolarHBondContact OD1-N 3.17Å |
| 102 | R | 74.1 | Confident | 91.5 | Very high | 191 Ų | 191 | 55 Ų | 55 | 72% | 0.721 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 56.3 | 14.2 | -175.7 | -58.6 | -175.9 | 178.2 | -174.1 | -1.1 | 114.7 | R24 V98 S99 D100 | R24-R102 PolarHBondContact NH1-O 3.1Å; R24-R102 PolarHBondContact NH2-O 3.48Å; V98-R102 HydrophobicContact CG1-CB 4.18Å; V98-R102 HydrophobicContact CG1-CG 4.33Å; S99-R102 VanDerWaalsContact O-CA 3.28Å; S99-R102 WeakPolarHBondContact O-CA 3.28Å; S99-R102 PolarHBondContact O-N 2.91Å; D100-R102 PolarHBondContact O-N 3.12Å |
| 103 | K | 79.9 | Confident | 91.4 | Very high | 151 Ų | 151 | 58.8 Ų | 58.8 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -93.6 | -26 | -176.9 | -69.2 | 177.6 | -177.9 | 177.3 | 0 | 113.6 | S99 D101 | S99-K103 PolarHBondContact OG-N 3.17Å; D101-K103 PolarHBondContact O-N 3.13Å; D101-K103 VanDerWaalsContact O-N 3.09Å; D101-K103 PolarHBondContact OD1-N 3.17Å |
| 104 | R | 86.9 | Confident | 91.3 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 44% | 0.438 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -127.3 | 155.8 | -172.5 | -61.9 | -177.2 | -175 | 178.6 | -0.5 | 111 | S99 | S99-R104 PolarHBondContact N-O 2.93Å; S99-R104 PolarHBondContact OG-N 2.94Å; S99-R104 PolarHBondContact OG-O 3.21Å |
| 105 | Y | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.9 | 168.2 | -70.4 | -77.5 | 0 | 0 | 0 | 109.8 | L16 Y17 F23 I27 I66 L96 V98 | L16-Y105 HydrophobicContact CB-CD2 3.94Å; L16-Y105 HydrophobicContact CB-CE2 3.69Å; L16-Y105 HydrophobicContact CD1-CD2 4.35Å; L16-Y105 HydrophobicContact CD1-CG 4.43Å; L16-Y105 WeakPolarHBondContact O-CE2 3.2Å; L16-Y105 VanDerWaalsContact O-CZ 3.31Å; L16-Y105 PolarHBondContact O-OH 2.84Å; Y17-Y105 HydrophobicContact CD1-CE2 4.15Å; Y17-Y105 AromaticContact CE1-CD2 3.8Å; Y17-Y105 HydrophobicContact CE1-CD2 3.8Å; Y17-Y105 AromaticContact CE1-CE2 3.89Å; Y17-Y105 HydrophobicContact CE1-CE2 3.89Å; Y17-Y105 AromaticContact CZ-CD2 3.85Å; F23-Y105 HydrophobicContact CB-CE1 4.29Å; I27-Y105 HydrophobicContact CD1-CD1 4.23Å; I27-Y105 HydrophobicContact CD1-CE1 3.97Å; I66-Y105 PolarHBondContact N-O 2.95Å; I66-Y105 VanDerWaalsContact N-O 3.15Å; L96-Y105 HydrophobicContact CD1-CD1 4.06Å; L96-Y105 HydrophobicContact CD1-CG 4.26Å; L96-Y105 HydrophobicContact CD2-CD1 4.03Å; L96-Y105 HydrophobicContact CD2-CE1 4.34Å; L96-Y105 HydrophobicContact CG-CD1 4.1Å; V98-Y105 HydrophobicContact CG2-CD1 4.14Å; V98-Y105 HydrophobicContact CG2-CE1 3.98Å |
| 106 | H | 95.5 | Very high | 91 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.8 | 171.7 | -77.8 | -157.3 | 0 | 0 | 0 | 108.6 | I66 L96 S97 | I66-H106 CarbonylContact O-C 3.43Å; I66-H106 VanDerWaalsContact O-CA 3.25Å; I66-H106 WeakPolarHBondContact O-CA 3.34Å; L96-H106 CarbonylContact C-O 3.55Å; L96-H106 WeakPolarHBondContact CA-O 3.34Å; S97-H106 PolarHBondContact N-O 3.25Å; S97-H106 PolarHBondContact O-N 3.29Å |
| 107 | L | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.3 | 174.2 | -177.1 | 71.7 | 0 | 0 | 0 | 108.8 | I35 L37 V65 I66 V67 N68 F92 E95 L96 A109 | I35-L107 HydrophobicContact CD1-CD1 4.11Å; I35-L107 HydrophobicContact CG1-CD1 3.75Å; L37-L107 HydrophobicContact CB-CD2 4.14Å; L37-L107 HydrophobicContact CD2-CD2 4.29Å; V65-L107 HydrophobicContact CG1-CB 4.26Å; I66-L107 PolarHBondContact O-N 2.95Å; V67-L107 CarbonylContact C-O 3.56Å; V67-L107 VanDerWaalsContact CA-O 3.22Å; V67-L107 WeakPolarHBondContact CA-O 3.22Å; V67-L107 HydrophobicContact CB-CB 4.5Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD2 4.21Å; V67-L107 HydrophobicContact CG1-CG 4.4Å; V67-L107 WeakPolarHBondContact CG1-O 3.4Å; V67-L107 HydrophobicContact CG2-CB 4.15Å; V67-L107 HydrophobicContact CG2-CD2 4.24Å; N68-L107 PolarHBondContact N-O 2.89Å; F92-L107 HydrophobicContact CB-CD2 3.52Å; F92-L107 HydrophobicContact CG-CD2 4.39Å; E95-L107 CarbonylContact O-C 3.51Å; E95-L107 WeakPolarHBondContact O-CA 3.38Å; L96-L107 HydrophobicContact CB-CD1 4.27Å; L96-L107 HydrophobicContact CD1-CD1 4.47Å; L107-A109 PolarHBondContact O-N 2.8Å |
| 108 | T | 96.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.4 | 169.6 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | Y71 G94 E95 F110 | Y71-T108 HydrophobicContact CD2-CG2 3.68Å; Y71-T108 HydrophobicContact CE2-CG2 3.52Å; G94-T108 CarbonylContact C-O 3.58Å; G94-T108 WeakPolarHBondContact CA-O 3.21Å; E95-T108 PolarHBondContact N-O 2.83Å; E95-T108 PolarHBondContact O-N 2.91Å; T108-F110 HydrophobicContact CG2-CE1 4.38Å |
| 109 | A | 97.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V67 N68 V69 F92 L107 | V67-A109 HydrophobicContact CG1-CB 3.67Å; N68-A109 PolarHBondContact O-N 3.14Å; V69-A109 HydrophobicContact CG1-CB 4.2Å; F92-A109 HydrophobicContact CD1-CB 3.48Å; F92-A109 VanDerWaalsContact CD1-CB 3.48Å; F92-A109 HydrophobicContact CE1-CB 4.04Å; F92-A109 HydrophobicContact CG-CB 4.35Å; L107-A109 PolarHBondContact O-N 2.8Å |
| 110 | F | 95.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 69.4 Ų | 69.4 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -26.4 | 170.6 | -54 | -52.5 | 0 | 0 | 0 | 112.3 | Y71 L72 I93 E95 T108 | Y71-F110 AromaticContact CD2-CD1 3.99Å; Y71-F110 HydrophobicContact CD2-CD1 3.99Å; Y71-F110 AromaticContact CD2-CE1 3.85Å; Y71-F110 HydrophobicContact CD2-CE1 3.85Å; Y71-F110 HydrophobicContact CE2-CE1 4.08Å; L72-F110 WeakPolarHBondContact CD2-O 3.47Å; I93-F110 PolarHBondContact O-N 2.87Å; E95-F110 HydrophobicContact CB-CZ 4.47Å; E95-F110 HydrophobicContact CG-CE2 3.83Å; E95-F110 HydrophobicContact CG-CZ 3.89Å; T108-F110 HydrophobicContact CG2-CE1 4.38Å |
| 111 | S | 96.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 164.2 | 173.9 | 67.2 | 0 | 0 | 0 | 0 | 111 | F92 I93 | F92-S111 WeakPolarHBondContact CA-O 3.25Å; I93-S111 PolarHBondContact N-O 3.4Å; I93-S111 PolarHBondContact O-N 3.45Å |
| 112 | F | 96.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 160.1 | 173.6 | 77.1 | -79.2 | 0 | 0 | 0 | 111.1 | L72 Q76 C79 F80 I90 Q91 F92 F114 | L72-F112 HydrophobicContact CD1-CD1 3.52Å; L72-F112 HydrophobicContact CD1-CE1 3.88Å; L72-F112 HydrophobicContact CD2-CD1 4.48Å; Q76-F112 HydrophobicContact CB-CE1 3.77Å; Q76-F112 HydrophobicContact CB-CZ 4.43Å; Q76-F112 HydrophobicContact CG-CE1 3.88Å; C79-F112 HydrophobicContact CB-CE2 4.44Å; C79-F112 HydrophobicContact CB-CZ 4.07Å; F80-F112 HydrophobicContact CE1-CD1 4.3Å; F80-F112 AromaticContact CE1-CD2 3.81Å; F80-F112 HydrophobicContact CE1-CD2 3.81Å; F80-F112 HydrophobicContact CE1-CE1 4.12Å; F80-F112 AromaticContact CE1-CE2 3.61Å; F80-F112 HydrophobicContact CE1-CE2 3.61Å; F80-F112 HydrophobicContact CE1-CG 4.14Å; F80-F112 AromaticContact CE1-CZ 3.77Å; F80-F112 HydrophobicContact CE1-CZ 3.77Å; F80-F112 AromaticContact CZ-CD1 3.73Å; F80-F112 HydrophobicContact CZ-CD1 3.73Å; F80-F112 HydrophobicContact CZ-CD2 4.06Å; F80-F112 AromaticContact CZ-CE1 3.68Å; F80-F112 HydrophobicContact CZ-CE1 3.68Å; F80-F112 HydrophobicContact CZ-CE2 4.02Å; F80-F112 AromaticContact CZ-CG 3.91Å; F80-F112 HydrophobicContact CZ-CG 3.91Å; F80-F112 AromaticContact CZ-CZ 3.81Å; F80-F112 HydrophobicContact CZ-CZ 3.81Å; I90-F112 HydrophobicContact CD1-CB 4.16Å; I90-F112 HydrophobicContact CD1-CD2 3.55Å; I90-F112 HydrophobicContact CD1-CE2 4.31Å; I90-F112 HydrophobicContact CD1-CG 4.12Å; I90-F112 HydrophobicContact CG1-CB 4.28Å; I90-F112 HydrophobicContact CG1-CD2 4.1Å; Q91-F112 CarbonylContact O-C 3.49Å; Q91-F112 WeakPolarHBondContact O-CA 3.5Å; Q91-F112 WeakPolarHBondContact O-CB 3.05Å; F92-F112 HydrophobicContact CD1-CB 3.5Å; F92-F112 HydrophobicContact CE1-CB 3.51Å; F92-F112 HydrophobicContact CE1-CG 4.18Å; F92-F112 HydrophobicContact CG-CB 4.17Å; F92-F112 HydrophobicContact CZ-CB 4.17Å; F112-F114 HydrophobicContact CE2-CD2 4.08Å; F112-F114 AromaticContact CE2-CE2 3.75Å; F112-F114 HydrophobicContact CE2-CE2 3.75Å; F112-F114 HydrophobicContact CE2-CZ 4.21Å |
| 113 | T | 95.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133.6 | 171.4 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | Q91 M115 | Q91-T113 PolarHBondContact N-O 2.97Å; Q91-T113 PolarHBondContact O-N 2.94Å; T113-M115 HydrophobicContact CG2-SD 4.31Å |
| 114 | F | 94.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.3 | 167 | -70.6 | -68.4 | 0 | 0 | 0 | 109.8 | C79 F80 R88 L89 I90 F112 | C79-F114 HydrophobicContact CB-CE2 4Å; C79-F114 HydrophobicContact CB-CZ 4.35Å; F80-F114 HydrophobicContact CD1-CZ 4.41Å; F80-F114 HydrophobicContact CE1-CZ 4.49Å; R88-F114 HydrophobicContact CB-CD1 4.12Å; R88-F114 HydrophobicContact CB-CE1 4.24Å; L89-F114 CarbonylContact O-C 3.6Å; L89-F114 WeakPolarHBondContact O-CA 3.48Å; I90-F114 HydrophobicContact CB-CD1 4.16Å; I90-F114 HydrophobicContact CB-CE1 4.39Å; I90-F114 HydrophobicContact CD1-CD1 4.27Å; I90-F114 HydrophobicContact CD1-CE1 3.92Å; I90-F114 HydrophobicContact CD1-CZ 4.41Å; I90-F114 HydrophobicContact CG1-CD1 4.33Å; I90-F114 HydrophobicContact CG1-CE1 4.46Å; F112-F114 HydrophobicContact CE2-CD2 4.08Å; F112-F114 AromaticContact CE2-CE2 3.75Å; F112-F114 HydrophobicContact CE2-CE2 3.75Å; F112-F114 HydrophobicContact CE2-CZ 4.21Å |
| 115 | M | 94.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 20% | 0.197 | 30% | 0.303 | C | S | . | . | trans | -112.8 | 32.1 | -173.7 | -64 | -69 | -78.3 | 0 | 0 | 110.7 | L38 L89 Q91 T113 G117 V118 | L38-M115 HydrophobicContact CD1-CB 3.78Å; L38-M115 HydrophobicContact CD1-CG 3.9Å; L89-M115 HydrophobicContact CB-CB 4.24Å; L89-M115 PolarHBondContact O-N 3.11Å; Q91-M115 HydrophobicContact CB-CG 3.71Å; Q91-M115 HydrophobicContact CB-SD 4.47Å; T113-M115 HydrophobicContact CG2-SD 4.31Å; M115-G117 PolarHBondContact O-N 3.44Å; M115-V118 HydrophobicContact CB-CB 4.35Å; M115-V118 HydrophobicContact CB-CG2 4.03Å; M115-V118 HydrophobicContact CE-CG1 4.32Å; M115-V118 HydrophobicContact CE-CG2 3.85Å; M115-V118 VanDerWaalsContact O-CB 3.28Å; M115-V118 WeakPolarHBondContact O-CB 3.41Å; M115-V118 WeakPolarHBondContact O-CG2 3.5Å; M115-V118 PolarHBondContact O-N 2.91Å; M115-V118 VanDerWaalsContact O-N 3.17Å; M115-V118 HydrophobicContact SD-CG2 4.39Å | ||
| 116 | D | 90.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 137.9 | 179.3 | -53 | -55 | 0 | 0 | 0 | 110.5 | R88 L89 V118 | R88-D116 WeakPolarHBondContact CB-OD1 3.5Å; R88-D116 IonicContact CZ-OD2 2.65Å; R88-D116 IonicContact NE-OD1 3.09Å; R88-D116 IonicContact NE-OD2 3.62Å; R88-D116 PolarHBondContact NE-OD2 3.37Å; R88-D116 IonicContact NH2-OD2 2.71Å; R88-D116 PolarHBondContact NH2-OD2 3.25Å; L89-D116 PolarHBondContact N-OD1 2.99Å; D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 2.99Å |
| 117 | G | 90.5 | Very high | 94.6 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 90% | 0.897 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M115 S119 | M115-G117 PolarHBondContact O-N 3.44Å; G117-S119 PolarHBondContact O-N 3.26Å |
| 118 | V | 91.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | trans | -73.5 | 125.9 | 173.7 | 176 | 0 | 0 | 0 | 0 | 110.1 | M115 D116 L120 | M115-V118 HydrophobicContact CB-CB 4.35Å; M115-V118 HydrophobicContact CB-CG2 4.03Å; M115-V118 HydrophobicContact CE-CG1 4.32Å; M115-V118 HydrophobicContact CE-CG2 3.85Å; M115-V118 VanDerWaalsContact O-CB 3.28Å; M115-V118 WeakPolarHBondContact O-CB 3.41Å; M115-V118 WeakPolarHBondContact O-CG2 3.5Å; M115-V118 PolarHBondContact O-N 2.91Å; M115-V118 VanDerWaalsContact O-N 3.17Å; M115-V118 HydrophobicContact SD-CG2 4.39Å; D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 2.99Å; V118-L120 PolarHBondContact O-N 3.17Å | ||
| 119 | S | 93.8 | Very high | 94.2 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | trans | -64.7 | 125.4 | 170.8 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | G117 D121 L122 Y123 | G117-S119 PolarHBondContact O-N 3.26Å; S119-D121 VanDerWaalsContact C-N 3.25Å; S119-D121 PolarHBondContact O-N 3.45Å; S119-D121 PolarHBondContact OG-N 3.44Å; S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 2.85Å; S119-L122 PolarHBondContact OG-N 2.91Å; S119-Y123 PolarHBondContact O-N 3.34Å | ||
| 120 | L | 94.4 | Very high | 94 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -28.9 | 178.3 | -63.3 | -179.6 | 0 | 0 | 0 | 112.5 | L38 P56 F57 L89 V118 Y123 R124 | L38-L120 HydrophobicContact CD2-CD2 3.77Å; P56-L120 HydrophobicContact CB-CD1 4.22Å; P56-L120 HydrophobicContact CB-CD2 3.98Å; P56-L120 WeakPolarHBondContact O-CD1 3.35Å; F57-L120 HydrophobicContact CD1-CB 4.34Å; F57-L120 HydrophobicContact CD1-CD1 4.03Å; F57-L120 HydrophobicContact CE1-CB 3.45Å; F57-L120 VanDerWaalsContact CE1-CB 3.45Å; F57-L120 HydrophobicContact CE1-CD1 3.91Å; F57-L120 HydrophobicContact CE1-CG 4.19Å; F57-L120 HydrophobicContact CZ-CB 3.83Å; F57-L120 HydrophobicContact CZ-CD1 4.47Å; F57-L120 HydrophobicContact CZ-CD2 4.41Å; F57-L120 HydrophobicContact CZ-CG 4.48Å; L89-L120 HydrophobicContact CD1-CD2 3.97Å; L89-L120 HydrophobicContact CD2-CD2 4.08Å; V118-L120 PolarHBondContact O-N 3.17Å; L120-Y123 PolarHBondContact O-N 2.94Å; L120-R124 WeakPolarHBondContact O-CG 3.21Å; L120-R124 PolarHBondContact O-N 2.85Å |
| 121 | D | 95 | Very high | 93.7 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.8 | -37.5 | 174.2 | -67.3 | -36.7 | 0 | 0 | 0 | 111.8 | S119 Y123 R124 T125 | S119-D121 VanDerWaalsContact C-N 3.25Å; S119-D121 PolarHBondContact O-N 3.45Å; S119-D121 PolarHBondContact OG-N 3.44Å; D121-Y123 VanDerWaalsContact C-N 3.35Å; D121-R124 WeakPolarHBondContact O-CB 3.29Å; D121-R124 PolarHBondContact O-N 3.09Å; D121-T125 PolarHBondContact O-N 3.42Å; D121-T125 PolarHBondContact O-OG1 2.95Å |
| 122 | L | 94.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 55% | 0.55 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 172.2 | -176.3 | 62.7 | 0 | 0 | 0 | 110.4 | S119 R124 T125 V126 | S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 2.85Å; S119-L122 PolarHBondContact OG-N 2.91Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.88Å; L122-T125 WeakPolarHBondContact O-CB 3.46Å; L122-T125 PolarHBondContact O-N 2.89Å; L122-T125 VanDerWaalsContact O-N 3.11Å; L122-V126 WeakPolarHBondContact O-CG2 3.27Å; L122-V126 PolarHBondContact O-N 2.64Å |
| 123 | Y | 94.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 175.2 | -171.9 | -100.6 | 0 | 0 | 0 | 112.4 | Y10 L12 L38 Q91 S119 L120 D121 T125 V126 T127 | Y10-Y123 AromaticContact CD1-CE2 3.86Å; Y10-Y123 HydrophobicContact CD1-CE2 3.86Å; Y10-Y123 HydrophobicContact CE1-CE2 4.05Å; L12-Y123 HydrophobicContact CD2-CD1 3.82Å; L12-Y123 HydrophobicContact CD2-CE1 3.87Å; L38-Y123 HydrophobicContact CB-CD1 4.16Å; L38-Y123 HydrophobicContact CB-CE1 3.51Å; L38-Y123 HydrophobicContact CB-CE2 4.06Å; L38-Y123 VanDerWaalsContact CB-CZ 3.45Å; L38-Y123 HydrophobicContact CD2-CD1 3.58Å; L38-Y123 HydrophobicContact CD2-CD2 3.93Å; L38-Y123 HydrophobicContact CD2-CE1 3.85Å; L38-Y123 HydrophobicContact CD2-CE2 4.2Å; L38-Y123 HydrophobicContact CD2-CG 3.61Å; L38-Y123 HydrophobicContact CG-CE1 4.34Å; L38-Y123 PolarHBondContact N-OH 2.85Å; Q91-Y123 VanDerWaalsContact NE2-CE2 3.33Å; Q91-Y123 PolarHBondContact NE2-OH 3.42Å; S119-Y123 PolarHBondContact O-N 3.34Å; L120-Y123 PolarHBondContact O-N 2.94Å; D121-Y123 VanDerWaalsContact C-N 3.35Å; Y123-T125 VanDerWaalsContact C-N 3.31Å; Y123-T125 PolarHBondContact O-N 2.98Å; Y123-V126 PolarHBondContact O-N 3.3Å; Y123-T127 WeakPolarHBondContact O-CB 3.2Å; Y123-T127 PolarHBondContact O-N 3.29Å; Y123-T127 PolarHBondContact O-OG1 3.02Å |
| 124 | R | 94.9 | Very high | 92.4 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 171.6 | -75 | 179.3 | -179.1 | -108.3 | -4.2 | 111.8 | L12 F57 L120 D121 L122 T127 K128 | L12-R124 HydrophobicContact CD1-CG 4.02Å; L12-R124 HydrophobicContact CD2-CG 4.07Å; F57-R124 HydrophobicContact CE1-CG 4.16Å; F57-R124 VanDerWaalsContact CE1-NH2 3.3Å; F57-R124 HydrophobicContact CZ-CG 3.74Å; L120-R124 WeakPolarHBondContact O-CG 3.21Å; L120-R124 PolarHBondContact O-N 2.85Å; D121-R124 WeakPolarHBondContact O-CB 3.29Å; D121-R124 PolarHBondContact O-N 3.09Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.88Å; R124-T127 PolarHBondContact O-N 3.25Å; R124-K128 WeakPolarHBondContact O-CG 3.32Å; R124-K128 PolarHBondContact O-N 2.65Å |
| 125 | T | 94.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D121 L122 Y123 T127 K128 I129 | D121-T125 PolarHBondContact O-N 3.42Å; D121-T125 PolarHBondContact O-OG1 2.95Å; L122-T125 WeakPolarHBondContact O-CB 3.46Å; L122-T125 PolarHBondContact O-N 2.89Å; L122-T125 VanDerWaalsContact O-N 3.11Å; Y123-T125 VanDerWaalsContact C-N 3.31Å; Y123-T125 PolarHBondContact O-N 2.98Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact O-N 3.04Å; T125-K128 WeakPolarHBondContact O-CB 3.37Å; T125-K128 PolarHBondContact O-N 2.71Å; T125-I129 HydrophobicContact CG2-CD1 3.97Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 3.17Å |
| 126 | V | 93.3 | Very high | 91.4 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 32% | 0.321 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | Y10 L122 Y123 K128 I129 T130 | Y10-V126 HydrophobicContact CD1-CG1 4.42Å; Y10-V126 HydrophobicContact CE1-CG1 4.21Å; L122-V126 WeakPolarHBondContact O-CG2 3.27Å; L122-V126 PolarHBondContact O-N 2.64Å; Y123-V126 PolarHBondContact O-N 3.3Å; V126-K128 PolarHBondContact O-N 3.49Å; V126-I129 PolarHBondContact O-N 3.36Å; V126-T130 HydrophobicContact CG1-CG2 4.1Å; V126-T130 WeakPolarHBondContact O-CB 3.38Å; V126-T130 WeakPolarHBondContact O-CG2 3.43Å; V126-T130 PolarHBondContact O-N 3.42Å; V126-T130 PolarHBondContact O-OG1 3.45Å |
| 127 | T | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 111 | Y10 L12 Y123 R124 T125 T130 R131 V140 | Y10-T127 WeakPolarHBondContact O-CG2 2.96Å; L12-T127 HydrophobicContact CD2-CG2 3.99Å; L12-T127 HydrophobicContact CG-CG2 3.87Å; Y123-T127 WeakPolarHBondContact O-CB 3.2Å; Y123-T127 PolarHBondContact O-N 3.29Å; Y123-T127 PolarHBondContact O-OG1 3.02Å; R124-T127 PolarHBondContact O-N 3.25Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact O-N 3.04Å; T127-T130 PolarHBondContact O-OG1 3.3Å; T127-R131 WeakPolarHBondContact O-CB 3.34Å; T127-R131 PolarHBondContact O-N 3.23Å; T127-V140 HydrophobicContact CG2-CG2 3.78Å |
| 128 | K | 93.3 | Very high | 90.7 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 174.8 | -78.7 | 172.6 | 176.3 | -172.6 | 0 | 112.8 | R124 T125 V126 V140 | R124-K128 WeakPolarHBondContact O-CG 3.32Å; R124-K128 PolarHBondContact O-N 2.65Å; T125-K128 WeakPolarHBondContact O-CB 3.37Å; T125-K128 PolarHBondContact O-N 2.71Å; V126-K128 PolarHBondContact O-N 3.49Å; K128-V140 HydrophobicContact CG-CB 3.77Å; K128-V140 HydrophobicContact CG-CG1 4.01Å; K128-V140 HydrophobicContact CG-CG2 4.46Å |
| 129 | I | 92.6 | Very high | 90.3 | Very high | 93 Ų | 93 | 68.7 Ų | 68.7 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -51.9 | -179.4 | -67.8 | 167.2 | 0 | 0 | 0 | 109.9 | T125 V126 R131 S132 Y133 | T125-I129 HydrophobicContact CG2-CD1 3.97Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 3.17Å; V126-I129 PolarHBondContact O-N 3.36Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 PolarHBondContact O-N 3.36Å; I129-S132 WeakPolarHBondContact O-CB 2.98Å; I129-S132 PolarHBondContact O-N 3.35Å; I129-S132 PolarHBondContact O-OG 2.92Å; I129-Y133 HydrophobicContact CG2-CE2 4.29Å; I129-Y133 WeakPolarHBondContact O-CE2 3.43Å |
| 130 | T | 91.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.7 | -30.9 | -175.7 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | Y10 V126 T127 S132 Y133 | Y10-T130 HydrophobicContact CD2-CG2 3.93Å; Y10-T130 VanDerWaalsContact CD2-OG1 3.3Å; Y10-T130 WeakPolarHBondContact CD2-OG1 3.42Å; Y10-T130 HydrophobicContact CE2-CG2 4.06Å; V126-T130 HydrophobicContact CG1-CG2 4.1Å; V126-T130 WeakPolarHBondContact O-CB 3.38Å; V126-T130 WeakPolarHBondContact O-CG2 3.43Å; V126-T130 PolarHBondContact O-N 3.42Å; V126-T130 PolarHBondContact O-OG1 3.45Å; T127-T130 PolarHBondContact O-OG1 3.3Å; T130-S132 PolarHBondContact O-N 3.31Å; T130-Y133 WeakPolarHBondContact O-CD2 3.29Å; T130-Y133 PolarHBondContact O-N 3.49Å; T130-Y133 VanDerWaalsContact O-N 3.1Å |
| 131 | R | 90.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.4 | -31 | 176.9 | -175.7 | 59.4 | 64.5 | 89.1 | 5 | 112.9 | Y10 E15 T127 I129 Y133 I134 L137 P138 V140 | Y10-R131 PolarHBondContact O-NH2 3.07Å; E15-R131 IonicContact OE1-CZ 3.78Å; E15-R131 IonicContact OE1-NH1 2.9Å; E15-R131 PolarHBondContact OE1-NH1 3.19Å; E15-R131 IonicContact OE1-NH2 3.84Å; E15-R131 IonicContact OE2-CZ 3.45Å; E15-R131 IonicContact OE2-NH1 3.3Å; E15-R131 PolarHBondContact OE2-NH1 3.38Å; E15-R131 IonicContact OE2-NH2 2.76Å; E15-R131 PolarHBondContact OE2-NH2 3.27Å; T127-R131 WeakPolarHBondContact O-CB 3.34Å; T127-R131 PolarHBondContact O-N 3.23Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 PolarHBondContact O-N 3.36Å; R131-Y133 PolarHBondContact O-N 3.41Å; R131-Y133 VanDerWaalsContact O-N 3.1Å; R131-I134 PolarHBondContact O-N 2.66Å; R131-L137 VanDerWaalsContact CD-CB 3.44Å; R131-P138 VanDerWaalsContact CD-O 3.28Å; R131-P138 WeakPolarHBondContact CD-O 3.35Å; R131-P138 WeakPolarHBondContact CG-O 3.28Å; R131-P138 PolarHBondContact NH1-O 3.37Å; R131-V140 HydrophobicContact CB-CG2 3.95Å; R131-V140 HydrophobicContact CG-CG2 4.04Å |
| 132 | S | 87.4 | Confident | 89.3 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.6 | 176.8 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | I129 T130 | I129-S132 WeakPolarHBondContact O-CB 2.98Å; I129-S132 PolarHBondContact O-N 3.35Å; I129-S132 PolarHBondContact O-OG 2.92Å; T130-S132 PolarHBondContact O-N 3.31Å |
| 133 | Y | 87 | Confident | 89.1 | Confident | 182 Ų | 182 | 65.7 Ų | 65.7 | 71% | 0.714 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.3 | 177.7 | -51.2 | -67.4 | 0 | 0 | 0 | 113.7 | I129 T130 R131 | I129-Y133 HydrophobicContact CG2-CE2 4.29Å; I129-Y133 WeakPolarHBondContact O-CE2 3.43Å; T130-Y133 WeakPolarHBondContact O-CD2 3.29Å; T130-Y133 PolarHBondContact O-N 3.49Å; T130-Y133 VanDerWaalsContact O-N 3.1Å; R131-Y133 PolarHBondContact O-N 3.41Å; R131-Y133 VanDerWaalsContact O-N 3.1Å |
| 134 | I | 86.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | trans | -116.1 | 91 | -173.9 | -50.2 | -175.9 | 0 | 0 | 0 | 109.6 | A9 R131 Y136 L137 | A9-I134 VanDerWaalsContact CA-CD1 3.42Å; A9-I134 HydrophobicContact CB-CD1 3.29Å; A9-I134 HydrophobicContact CB-CG2 4.46Å; R131-I134 PolarHBondContact O-N 2.66Å; I134-Y136 HydrophobicContact CG2-CD1 3.98Å; I134-Y136 HydrophobicContact CG2-CD2 4.09Å; I134-Y136 HydrophobicContact CG2-CE1 3.54Å; I134-Y136 HydrophobicContact CG2-CE2 3.6Å; I134-Y136 HydrophobicContact CG2-CG 4.24Å; I134-Y136 PolarHBondContact O-N 2.69Å; I134-Y136 VanDerWaalsContact O-N 3.11Å; I134-L137 HydrophobicContact CG2-CB 4.15Å; I134-L137 HydrophobicContact CG2-CD1 4Å; I134-L137 HydrophobicContact CG2-CG 4.14Å; I134-L137 PolarHBondContact O-N 3.38Å; I134-L137 VanDerWaalsContact O-N 3.14Å | ||
| 135 | A | 83.8 | Confident | 88.4 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 92% | 0.917 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 136 | Y | 83.3 | Confident | 87.9 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 38% | 0.384 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -2.8 | -176.8 | 60.4 | -99.9 | 0 | 0 | 0 | 113.8 | I26 L33 I134 | I26-Y136 VanDerWaalsContact CD1-O 3.28Å; I26-Y136 WeakPolarHBondContact CD1-O 3.25Å; L33-Y136 HydrophobicContact CD1-CD2 4.19Å; L33-Y136 HydrophobicContact CD1-CE2 3.36Å; I134-Y136 HydrophobicContact CG2-CD1 3.98Å; I134-Y136 HydrophobicContact CG2-CD2 4.09Å; I134-Y136 HydrophobicContact CG2-CE1 3.54Å; I134-Y136 HydrophobicContact CG2-CE2 3.6Å; I134-Y136 HydrophobicContact CG2-CG 4.24Å; I134-Y136 PolarHBondContact O-N 2.69Å; I134-Y136 VanDerWaalsContact O-N 3.11Å |
| 137 | L | 85.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -114.3 | 141.2 | 175.4 | -74.3 | 174.2 | 0 | 0 | 0 | 110.6 | A9 V11 F23 I26 L33 R131 I134 | A9-L137 HydrophobicContact CB-CD1 3.52Å; V11-L137 HydrophobicContact CG2-CD1 4.38Å; F23-L137 HydrophobicContact CD1-CD2 4.33Å; F23-L137 HydrophobicContact CE1-CD2 3.8Å; F23-L137 HydrophobicContact CZ-CD2 4.37Å; I26-L137 HydrophobicContact CD1-CD2 3.58Å; L33-L137 HydrophobicContact CD2-CD2 4.19Å; R131-L137 VanDerWaalsContact CD-CB 3.44Å; I134-L137 HydrophobicContact CG2-CB 4.15Å; I134-L137 HydrophobicContact CG2-CD1 4Å; I134-L137 HydrophobicContact CG2-CG 4.14Å; I134-L137 PolarHBondContact O-N 3.38Å; I134-L137 VanDerWaalsContact O-N 3.14Å |
| 138 | P | 82 | Confident | 87 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | trans | -66.2 | 157.5 | 175 | 30.3 | -35.9 | 0 | 0 | 0 | 110.5 | K19 V22 R131 | K19-P138 HydrophobicContact CD-CG 4.04Å; V22-P138 HydrophobicContact CG1-CG 3.98Å; R131-P138 VanDerWaalsContact CD-O 3.28Å; R131-P138 WeakPolarHBondContact CD-O 3.35Å; R131-P138 WeakPolarHBondContact CG-O 3.28Å; R131-P138 PolarHBondContact NH1-O 3.37Å | ||
| 139 | S | 84.1 | Confident | 86.5 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | trans | -56 | 147.7 | 168.4 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | K19 | K19-S139 PolarHBondContact NZ-O 3.06Š| ||
| 140 | V | 83.3 | Confident | 86 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 38% | 0.382 | 40% | 0.398 | S | S | . | . | trans | -69.5 | 0 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L12 K19 T127 K128 R131 | L12-V140 HydrophobicContact CD1-CG1 3.57Å; L12-V140 HydrophobicContact CG-CG1 4.3Å; K19-V140 PolarHBondContact NZ-OXT 3.23Å; T127-V140 HydrophobicContact CG2-CG2 3.78Å; K128-V140 HydrophobicContact CG-CB 3.77Å; K128-V140 HydrophobicContact CG-CG1 4.01Å; K128-V140 HydrophobicContact CG-CG2 4.46Å; R131-V140 HydrophobicContact CB-CG2 3.95Å; R131-V140 HydrophobicContact CG-CG2 4.04Å |
Retrieved 140 of 140 residues in 194.7 ms
(Link to these results)