| 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 | 77.9 | Confident | 89.8 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | 0 | 118.7 | 0 | -174.2 | 161.3 | 46.4 | 0 | 0 | 108.4 | D5 W6 F23 R51 Q123 A124 P125 | M1-D5 HydrophobicContact CG-CB 3.61Å; M1-D5 HydrophobicContact SD-CB 4.3Å; M1-W6 HydrophobicContact CE-CE3 3.44Å; M1-W6 VanDerWaalsContact CE-CE3 3.44Å; M1-W6 HydrophobicContact CE-CZ3 3.52Å; M1-W6 HydrophobicContact SD-CE3 4.05Å; M1-F23 HydrophobicContact CE-CD2 4.18Å; M1-F23 HydrophobicContact CE-CE2 4.41Å; M1-F23 HydrophobicContact SD-CD2 3.55Å; M1-F23 VanDerWaalsContact SD-CD2 3.55Å; M1-F23 HydrophobicContact SD-CE2 3.22Å; M1-F23 WeakPolarHBondContact SD-CE2 3.4Å; M1-F23 HydrophobicContact SD-CZ 4.01Å; M1-R51 PolarHBondContact O-NE 3.17Å; M1-Q123 HydrophobicContact CE-CG 3.95Å; M1-Q123 HydrophobicContact SD-CG 4.11Å; M1-A124 WeakPolarHBondContact CE-O 3.46Å; M1-P125 VanDerWaalsContact CE-CA 3.48Å | |||
| 2 | S | 81.1 | Confident | 90.3 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | trans | -80.3 | 174.2 | 179.8 | 63.7 | 0 | 0 | 0 | 0 | 111 | T4 D5 | S2-T4 VanDerWaalsContact C-N 3.26Å; S2-T4 PolarHBondContact O-N 2.8Å; S2-T4 PolarHBondContact OG-N 3.18Å; S2-T4 PolarHBondContact OG-OG1 2.85Å; S2-D5 PolarHBondContact N-OD2 3Å; S2-D5 PolarHBondContact O-N 3.31Å; S2-D5 VanDerWaalsContact OG-CG 3.31Å; S2-D5 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact OG-OD2 2.98Å | ||
| 3 | A | 69 | Low | 90.6 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D5 W6 S52 D55 | A3-D5 PolarHBondContact O-N 3.5Å; A3-W6 PolarHBondContact O-N 3.35Å; A3-S52 VanDerWaalsContact CB-O 3.28Å; A3-S52 WeakPolarHBondContact CB-O 3.31Å; A3-D55 HydrophobicContact CB-CB 4.4Å |
| 4 | T | 83.2 | Confident | 90.5 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -23.8 | 179.5 | 58 | 0 | 0 | 0 | 0 | 113.7 | S2 S59 | S2-T4 VanDerWaalsContact C-N 3.26Å; S2-T4 PolarHBondContact O-N 2.8Å; S2-T4 PolarHBondContact OG-N 3.18Å; S2-T4 PolarHBondContact OG-OG1 2.85Å; T4-S59 WeakPolarHBondContact CG2-OG 3.41Å |
| 5 | D | 90.6 | Very high | 90.7 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -86.8 | -28.9 | 179.7 | -59.1 | -26.7 | 0 | 0 | 0 | 112.4 | M1 S2 A3 K22 F23 | M1-D5 HydrophobicContact CG-CB 3.61Å; M1-D5 HydrophobicContact SD-CB 4.3Å; S2-D5 PolarHBondContact N-OD2 3Å; S2-D5 PolarHBondContact O-N 3.31Å; S2-D5 VanDerWaalsContact OG-CG 3.31Å; S2-D5 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact OG-OD2 2.98Å; A3-D5 PolarHBondContact O-N 3.5Å; D5-K22 WeakPolarHBondContact O-CD 3.46Å; D5-K22 WeakPolarHBondContact O-CE 3.47Å; D5-K22 PolarHBondContact O-NZ 2.86Å; D5-F23 WeakPolarHBondContact O-CE2 3.19Å |
| 6 | W | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.1 | -38.4 | -169.7 | -173.5 | -94.2 | 0 | 0 | 0 | 113.4 | M1 A3 E21 K22 F23 L50 R51 I121 Q123 P125 | M1-W6 HydrophobicContact CE-CE3 3.44Å; M1-W6 VanDerWaalsContact CE-CE3 3.44Å; M1-W6 HydrophobicContact CE-CZ3 3.52Å; M1-W6 HydrophobicContact SD-CE3 4.05Å; A3-W6 PolarHBondContact O-N 3.35Å; W6-E21 PolarHBondContact NE1-OE1 3.48Å; W6-K22 WeakPolarHBondContact O-CB 3.23Å; W6-K22 PolarHBondContact O-N 3.25Å; W6-F23 HydrophobicContact CD2-CD2 4.31Å; W6-F23 HydrophobicContact CE3-CB 4.23Å; W6-F23 AromaticContact CE3-CD2 3.68Å; W6-F23 HydrophobicContact CE3-CD2 3.68Å; W6-F23 HydrophobicContact CE3-CG 4.43Å; W6-F23 HydrophobicContact CH2-CB 4.13Å; W6-F23 HydrophobicContact CZ3-CB 3.86Å; W6-F23 HydrophobicContact CZ3-CD2 4.08Å; W6-F23 HydrophobicContact CZ3-CG 4.42Å; W6-L50 HydrophobicContact CH2-CB 4.26Å; W6-L50 HydrophobicContact CH2-CD1 3.81Å; W6-L50 HydrophobicContact CZ2-CB 3.78Å; W6-L50 HydrophobicContact CZ2-CD1 3.62Å; W6-L50 HydrophobicContact CZ2-CG 4.27Å; W6-R51 HydrophobicContact CB-CB 3.79Å; W6-R51 HydrophobicContact CB-CG 3.68Å; W6-R51 HydrophobicContact CD2-CB 4.25Å; W6-R51 HydrophobicContact CD2-CG 3.74Å; W6-R51 HydrophobicContact CE3-CG 4.04Å; W6-R51 HydrophobicContact CG-CB 3.66Å; W6-R51 HydrophobicContact CG-CG 3.57Å; W6-I121 HydrophobicContact CH2-CD1 4.41Å; W6-I121 HydrophobicContact CH2-CG2 4.02Å; W6-Q123 WeakPolarHBondContact CZ3-O 3.37Å; W6-P125 HydrophobicContact CE3-CB 4.26Å; W6-P125 HydrophobicContact CH2-CB 3.99Å; W6-P125 HydrophobicContact CH2-CG 4.44Å; W6-P125 HydrophobicContact CZ3-CB 3.67Å; W6-P125 HydrophobicContact CZ3-CG 4.48Å |
| 7 | Y | 98.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 150.8 | -178.4 | -58.6 | -81.9 | 0 | 0 | 0 | 111.4 | I19 Q20 E21 I32 R51 L53 Y56 | Y7-I19 HydrophobicContact CD1-CG2 4.04Å; Y7-I19 HydrophobicContact CG-CG2 4.43Å; Y7-Q20 CarbonylContact C-O 3.43Å; Y7-Q20 VanDerWaalsContact CA-O 3.28Å; Y7-Q20 WeakPolarHBondContact CA-O 3.49Å; Y7-E21 HydrophobicContact CD1-CG 3.93Å; Y7-E21 HydrophobicContact CE1-CG 3.58Å; Y7-I32 HydrophobicContact CE1-CD1 4.17Å; Y7-R51 HydrophobicContact CE2-CB 3.85Å; Y7-R51 PolarHBondContact OH-O 3.39Å; Y7-L53 HydrophobicContact CD1-CD1 4.13Å; Y7-L53 HydrophobicContact CE1-CB 4.49Å; Y7-L53 HydrophobicContact CE1-CD1 4.01Å; Y7-L53 HydrophobicContact CE2-CB 4.29Å; Y7-L53 HydrophobicContact CE2-CD1 4.47Å; Y7-L53 HydrophobicContact CG-CD1 4.42Å; Y7-Y56 HydrophobicContact CD2-CD1 4.28Å; Y7-Y56 HydrophobicContact CD2-CD2 4.21Å; Y7-Y56 AromaticContact CD2-CG 3.82Å; Y7-Y56 HydrophobicContact CD2-CG 3.82Å; Y7-Y56 HydrophobicContact CG-CD1 4.11Å; Y7-Y56 HydrophobicContact CG-CD2 4.39Å; Y7-Y56 HydrophobicContact CG-CE1 4.49Å; Y7-Y56 HydrophobicContact CG-CG 4.04Å; Y7-Y56 WeakPolarHBondContact O-CE2 3.33Å |
| 8 | A | 97.4 | Very high | 92 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 157.6 | 163 | 0 | 0 | 0 | 0 | 0 | 108.8 | I19 Q20 K22 Y56 | A8-I19 CarbonylContact O-C 3.26Å; A8-I19 WeakPolarHBondContact O-CA 3.26Å; A8-Q20 PolarHBondContact N-O 3.15Å; A8-Q20 PolarHBondContact O-N 2.79Å; A8-K22 HydrophobicContact CB-CD 3.9Å; A8-K22 HydrophobicContact CB-CG 3.68Å; A8-Y56 WeakPolarHBondContact CA-OH 3.27Å |
| 9 | H | 98.2 | Very high | 92.4 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.7 | 173 | 74.9 | -88.2 | 0 | 0 | 0 | 112.3 | Y17 W18 I19 Y56 L62 | H9-Y17 AromaticContact CD2-CD1 3.96Å; H9-W18 CarbonylContact C-O 3.6Å; H9-W18 WeakPolarHBondContact CA-O 3.38Å; H9-W18 WeakPolarHBondContact CB-O 3.46Å; H9-I19 HydrophobicContact CB-CG1 3.87Å; H9-Y56 HydrophobicContact CB-CE1 4.38Å; H9-Y56 PolarHBondContact N-OH 2.83Å; H9-Y56 VanDerWaalsContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.77Å; H9-Y56 PolarHBondContact ND1-OH 3.32Å; H9-L62 HydrophobicContact CB-CD1 4.41Å |
| 10 | K | 98 | Very high | 92.6 | Very high | 125 Ų | 125 | 48.3 Ų | 48.3 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.7 | 168.6 | -179 | -178.5 | 176.5 | -172.2 | 0 | 108.6 | L12 Y17 W18 | K10-L12 HydrophobicContact CD-CD2 4Å; K10-L12 HydrophobicContact CG-CD2 4.18Å; K10-Y17 WeakPolarHBondContact O-CA 3.3Å; K10-W18 HydrophobicContact CD-CE3 4.45Å; K10-W18 PolarHBondContact N-O 2.72Å; K10-W18 PolarHBondContact O-N 2.74Å |
| 11 | S | 97.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.2 | 167.6 | -180 | 0 | 0 | 0 | 0 | 109.7 | G13 | S11-G13 PolarHBondContact OG-N 3.27Å |
| 12 | L | 96.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 4.5 | 174.5 | -58.8 | -177.3 | 0 | 0 | 0 | 112.3 | K10 L16 W18 W33 M224 | K10-L12 HydrophobicContact CD-CD2 4Å; K10-L12 HydrophobicContact CG-CD2 4.18Å; L12-L16 HydrophobicContact CB-CB 4.47Å; L12-L16 HydrophobicContact CB-CD2 4.16Å; L12-L16 HydrophobicContact CB-CG 4.14Å; L12-L16 HydrophobicContact CD1-CD2 4.19Å; L12-L16 HydrophobicContact CD1-CG 4.3Å; L12-L16 PolarHBondContact N-O 2.96Å; L12-W18 HydrophobicContact CD1-CB 4.23Å; L12-W18 HydrophobicContact CG-CB 4.49Å; L12-W33 HydrophobicContact CD1-CZ3 3.92Å; L12-M224 HydrophobicContact CD1-CE 3.58Å |
| 13 | G | 93.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.8 | 163.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S11 G15 L16 | S11-G13 PolarHBondContact OG-N 3.27Å; G13-G15 PolarHBondContact O-N 3.3Å; G13-L16 WeakPolarHBondContact O-CB 3.44Å; G13-L16 PolarHBondContact O-N 3.36Å |
| 14 | E | 89.6 | Confident | 95.8 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 72% | 0.724 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.7 | 169.1 | -58.8 | 178.7 | 168.2 | 0 | 0 | 114.6 | L16 | E14-L16 PolarHBondContact O-N 2.81Š|
| 15 | G | 93.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 12.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G13 Y17 R36 | G13-G15 PolarHBondContact O-N 3.3Å; G15-Y17 WeakPolarHBondContact O-CD2 3.32Å; G15-Y17 WeakPolarHBondContact O-CE2 3.38Å; G15-R36 PolarHBondContact O-N 2.71Å |
| 16 | L | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.9 | 173.2 | 176.6 | 61.6 | 0 | 0 | 0 | 110.9 | L12 G13 E14 L34 L35 M180 F182 M224 | L12-L16 HydrophobicContact CB-CB 4.47Å; L12-L16 HydrophobicContact CB-CD2 4.16Å; L12-L16 HydrophobicContact CB-CG 4.14Å; L12-L16 HydrophobicContact CD1-CD2 4.19Å; L12-L16 HydrophobicContact CD1-CG 4.3Å; L12-L16 PolarHBondContact N-O 2.96Å; G13-L16 WeakPolarHBondContact O-CB 3.44Å; G13-L16 PolarHBondContact O-N 3.36Å; E14-L16 PolarHBondContact O-N 2.81Å; L16-L34 CarbonylContact C-O 3.53Å; L16-L34 WeakPolarHBondContact CA-O 3.35Å; L16-L35 HydrophobicContact CD1-CD1 3.72Å; L16-L35 HydrophobicContact CD1-CG 3.9Å; L16-M180 HydrophobicContact CD2-SD 3.84Å; L16-F182 HydrophobicContact CD1-CE1 3.87Å; L16-F182 HydrophobicContact CD1-CZ 3.9Å; L16-M224 HydrophobicContact CD2-CE 3.85Å |
| 17 | Y | 98.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.7 | 178.2 | -55.2 | -95.3 | 0 | 0 | 0 | 110.9 | H9 K10 G15 W33 L34 R36 L62 | H9-Y17 AromaticContact CD2-CD1 3.96Å; K10-Y17 WeakPolarHBondContact O-CA 3.3Å; G15-Y17 WeakPolarHBondContact O-CD2 3.32Å; G15-Y17 WeakPolarHBondContact O-CE2 3.38Å; Y17-W33 WeakPolarHBondContact O-CA 3.34Å; Y17-L34 HydrophobicContact CD2-CD2 4.09Å; Y17-L34 HydrophobicContact CD2-CG 4.28Å; Y17-L34 PolarHBondContact N-O 3.39Å; Y17-L34 PolarHBondContact O-N 2.8Å; Y17-R36 HydrophobicContact CE2-CG 4.19Å; Y17-R36 PolarHBondContact OH-NH2 3.34Å; Y17-L62 HydrophobicContact CD1-CD2 4.14Å; Y17-L62 HydrophobicContact CE1-CD2 3.92Å |
| 18 | W | 98.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.5 | 168.5 | -176.9 | 25.3 | 0 | 0 | 0 | 109.2 | H9 K10 L12 Q20 N31 W33 H229 | H9-W18 CarbonylContact C-O 3.6Å; H9-W18 WeakPolarHBondContact CA-O 3.38Å; H9-W18 WeakPolarHBondContact CB-O 3.46Å; K10-W18 HydrophobicContact CD-CE3 4.45Å; K10-W18 PolarHBondContact N-O 2.72Å; K10-W18 PolarHBondContact O-N 2.74Å; L12-W18 HydrophobicContact CD1-CB 4.23Å; L12-W18 HydrophobicContact CG-CB 4.49Å; W18-Q20 HydrophobicContact CD2-CG 4.46Å; W18-Q20 VanDerWaalsContact CZ2-CD 3.4Å; W18-Q20 HydrophobicContact CZ2-CG 4.15Å; W18-N31 WeakPolarHBondContact CZ2-OD1 3.44Å; W18-N31 VanDerWaalsContact NE1-CG 3.28Å; W18-N31 PolarHBondContact NE1-OD1 2.99Å; W18-W33 HydrophobicContact CB-CE3 4.06Å; W18-W33 HydrophobicContact CB-CH2 4.36Å; W18-W33 HydrophobicContact CB-CZ3 3.53Å; W18-W33 AromaticContact CD1-CE3 3.96Å; W18-W33 AromaticContact CD1-CH2 3.57Å; W18-W33 AromaticContact CD1-CZ3 3.44Å; W18-W33 VanDerWaalsContact CD1-CZ3 3.44Å; W18-W33 HydrophobicContact CD2-CH2 4.35Å; W18-W33 HydrophobicContact CD2-CZ3 4.35Å; W18-W33 HydrophobicContact CG-CE3 4.24Å; W18-W33 AromaticContact CG-CH2 3.87Å; W18-W33 HydrophobicContact CG-CH2 3.87Å; W18-W33 AromaticContact CG-CZ3 3.5Å; W18-W33 HydrophobicContact CG-CZ3 3.5Å; W18-W33 VanDerWaalsContact CG-CZ3 3.5Å; W18-W33 AromaticContact NE1-CH2 3.9Å; W18-H229 AromaticContact CH2-ND1 3.84Å |
| 19 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.9 | 179.6 | -55.7 | 174.8 | 0 | 0 | 0 | 108.9 | Y7 A8 H9 I32 L34 L53 Y56 I57 L62 | Y7-I19 HydrophobicContact CD1-CG2 4.04Å; Y7-I19 HydrophobicContact CG-CG2 4.43Å; A8-I19 CarbonylContact O-C 3.26Å; A8-I19 WeakPolarHBondContact O-CA 3.26Å; H9-I19 HydrophobicContact CB-CG1 3.87Å; I19-I32 HydrophobicContact CB-CB 3.92Å; I19-I32 HydrophobicContact CB-CG2 3.96Å; I19-I32 HydrophobicContact CD1-CG2 4.38Å; I19-I32 HydrophobicContact CG2-CB 4.42Å; I19-I32 HydrophobicContact CG2-CD1 4.47Å; I19-I32 HydrophobicContact CG2-CG2 4.42Å; I19-I32 PolarHBondContact N-O 2.78Å; I19-I32 WeakPolarHBondContact O-CB 3.48Å; I19-I32 PolarHBondContact O-N 3.34Å; I19-L34 HydrophobicContact CD1-CB 3.98Å; I19-L34 HydrophobicContact CD1-CD2 4.37Å; I19-L53 HydrophobicContact CD1-CD1 4.38Å; I19-L53 HydrophobicContact CG2-CD1 4.09Å; I19-Y56 HydrophobicContact CD1-CE1 4.45Å; I19-Y56 HydrophobicContact CG2-CD1 4.38Å; I19-Y56 HydrophobicContact CG2-CE1 3.96Å; I19-I57 HydrophobicContact CD1-CD1 4.22Å; I19-I57 HydrophobicContact CD1-CG1 3.96Å; I19-L62 HydrophobicContact CD1-CD1 4.39Å |
| 20 | Q | 97.3 | Very high | 96 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.3 | 178.3 | -64.9 | -167.7 | -61.8 | 0 | 0 | 112.4 | Y7 A8 W18 K22 N31 | Y7-Q20 CarbonylContact C-O 3.43Å; Y7-Q20 VanDerWaalsContact CA-O 3.28Å; Y7-Q20 WeakPolarHBondContact CA-O 3.49Å; A8-Q20 PolarHBondContact N-O 3.15Å; A8-Q20 PolarHBondContact O-N 2.79Å; W18-Q20 HydrophobicContact CD2-CG 4.46Å; W18-Q20 VanDerWaalsContact CZ2-CD 3.4Å; W18-Q20 HydrophobicContact CZ2-CG 4.15Å; Q20-K22 PolarHBondContact O-N 2.91Å; Q20-N31 PolarHBondContact NE2-OD1 3.27Å |
| 21 | E | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 108 | 170.3 | -64.5 | -174.3 | 105.7 | 0 | 0 | 110.3 | W6 Y7 F23 F24 R29 G47 L48 | W6-E21 PolarHBondContact NE1-OE1 3.48Å; Y7-E21 HydrophobicContact CD1-CG 3.93Å; Y7-E21 HydrophobicContact CE1-CG 3.58Å; E21-F23 VanDerWaalsContact C-N 3.28Å; E21-F23 PolarHBondContact O-N 3Å; E21-F24 HydrophobicContact CB-CB 3.91Å; E21-F24 PolarHBondContact O-N 2.85Å; E21-R29 VanDerWaalsContact O-CD 3.24Å; E21-R29 WeakPolarHBondContact O-CD 3.36Å; E21-G47 WeakPolarHBondContact OE2-CA 3.47Å; E21-L48 PolarHBondContact OE1-N 3.46Å; E21-L48 WeakPolarHBondContact OE2-CG 3.48Å; E21-L48 PolarHBondContact OE2-N 2.99Å |
| 22 | K | 96.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34 | -172.1 | -69.3 | 167.4 | 56.8 | -164.1 | 0 | 113.5 | D5 W6 A8 Q20 | D5-K22 WeakPolarHBondContact O-CD 3.46Å; D5-K22 WeakPolarHBondContact O-CE 3.47Å; D5-K22 PolarHBondContact O-NZ 2.86Å; W6-K22 WeakPolarHBondContact O-CB 3.23Å; W6-K22 PolarHBondContact O-N 3.25Å; A8-K22 HydrophobicContact CB-CD 3.9Å; A8-K22 HydrophobicContact CB-CG 3.68Å; Q20-K22 PolarHBondContact O-N 2.91Å |
| 23 | F | 96.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 13% | 0.127 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.9 | -172.8 | -56.2 | -63.4 | 0 | 0 | 0 | 113.3 | M1 D5 W6 E21 I121 V122 Q123 | M1-F23 HydrophobicContact CE-CD2 4.18Å; M1-F23 HydrophobicContact CE-CE2 4.41Å; M1-F23 HydrophobicContact SD-CD2 3.55Å; M1-F23 VanDerWaalsContact SD-CD2 3.55Å; M1-F23 HydrophobicContact SD-CE2 3.22Å; M1-F23 WeakPolarHBondContact SD-CE2 3.4Å; M1-F23 HydrophobicContact SD-CZ 4.01Å; D5-F23 WeakPolarHBondContact O-CE2 3.19Å; W6-F23 HydrophobicContact CD2-CD2 4.31Å; W6-F23 HydrophobicContact CE3-CB 4.23Å; W6-F23 AromaticContact CE3-CD2 3.68Å; W6-F23 HydrophobicContact CE3-CD2 3.68Å; W6-F23 HydrophobicContact CE3-CG 4.43Å; W6-F23 HydrophobicContact CH2-CB 4.13Å; W6-F23 HydrophobicContact CZ3-CB 3.86Å; W6-F23 HydrophobicContact CZ3-CD2 4.08Å; W6-F23 HydrophobicContact CZ3-CG 4.42Å; E21-F23 VanDerWaalsContact C-N 3.28Å; E21-F23 PolarHBondContact O-N 3Å; F23-I121 CarbonylContact O-C 3.56Å; F23-I121 VanDerWaalsContact O-CA 3.31Å; F23-I121 WeakPolarHBondContact O-CA 3.08Å; F23-V122 HydrophobicContact CB-CG2 4.18Å; F23-V122 HydrophobicContact CD1-CG2 4.12Å; F23-V122 PolarHBondContact O-N 3.39Å; F23-Q123 HydrophobicContact CB-CB 4.04Å; F23-Q123 HydrophobicContact CD1-CB 3.52Å; F23-Q123 HydrophobicContact CD1-CG 4.46Å; F23-Q123 HydrophobicContact CD2-CB 4.37Å; F23-Q123 HydrophobicContact CE1-CB 3.99Å; F23-Q123 HydrophobicContact CG-CB 3.72Å |
| 24 | F | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -98.5 | 99.1 | 168.2 | -176.1 | -156.8 | 0 | 0 | 0 | 108.5 | E21 N28 R29 L48 F82 D83 L116 E120 I121 | E21-F24 HydrophobicContact CB-CB 3.91Å; E21-F24 PolarHBondContact O-N 2.85Å; F24-N28 WeakPolarHBondContact CE1-O 3.48Å; F24-N28 HydrophobicContact CZ-CB 4.08Å; F24-R29 HydrophobicContact CD1-CB 3.92Å; F24-R29 HydrophobicContact CD1-CG 4.08Å; F24-R29 HydrophobicContact CE1-CB 4.23Å; F24-R29 HydrophobicContact CG-CB 4.39Å; F24-R29 VanDerWaalsContact O-CD 3.24Å; F24-R29 WeakPolarHBondContact O-CD 3.44Å; F24-R29 PolarHBondContact O-NH1 2.84Å; F24-L48 HydrophobicContact CB-CD1 4.18Å; F24-L48 HydrophobicContact CD1-CD1 3.52Å; F24-L48 HydrophobicContact CD1-CD2 4.36Å; F24-L48 HydrophobicContact CD1-CG 3.78Å; F24-L48 HydrophobicContact CD2-CD1 3.96Å; F24-L48 HydrophobicContact CE1-CD1 3.76Å; F24-L48 HydrophobicContact CE1-CD2 3.82Å; F24-L48 HydrophobicContact CE1-CG 3.76Å; F24-L48 HydrophobicContact CE2-CD1 4.16Å; F24-L48 HydrophobicContact CG-CD1 3.64Å; F24-L48 HydrophobicContact CG-CG 4.41Å; F24-L48 HydrophobicContact CZ-CD1 4.08Å; F24-L48 HydrophobicContact CZ-CD2 4.1Å; F24-L48 HydrophobicContact CZ-CG 4.36Å; F24-F82 HydrophobicContact CZ-CE2 4.47Å; F24-D83 HydrophobicContact CE1-CB 4.49Å; F24-L116 HydrophobicContact CD2-CD1 4.35Å; F24-L116 HydrophobicContact CE2-CD1 3.69Å; F24-L116 HydrophobicContact CZ-CD1 4.17Å; F24-E120 CarbonylContact C-O 3.52Å; F24-E120 WeakPolarHBondContact CA-O 3.44Å; F24-E120 HydrophobicContact CD2-CB 4.09Å; F24-E120 HydrophobicContact CE2-CB 3.91Å; F24-I121 HydrophobicContact CB-CD1 3.98Å; F24-I121 HydrophobicContact CD2-CD1 3.72Å; F24-I121 HydrophobicContact CG-CD1 4.09Å |
| 25 | E | 94.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 28.4 Ų | 28.4 | 57% | 0.565 | 14% | 0.142 | S | C | * | . | trans | -102.5 | 88.9 | 176.8 | -67.6 | -171.6 | -171.8 | 0 | 0 | 109.1 | E120 V122 | E25-E120 PolarHBondContact N-O 3Å; E25-V122 HydrophobicContact CB-CG1 3.97Å; E25-V122 HydrophobicContact CG-CG1 3.89Å; E25-V122 HydrophobicContact CG-CG2 4.12Å | ||
| 26 | S | 94.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -147.5 | 158.1 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | N28 R29 E120 | S26-N28 PolarHBondContact O-N 3.15Å; S26-N28 PolarHBondContact OG-N 2.82Å; S26-R29 WeakPolarHBondContact O-CB 3.45Å; S26-R29 PolarHBondContact O-N 3Å; S26-E120 VanDerWaalsContact CB-OE1 3.22Å; S26-E120 WeakPolarHBondContact CB-OE1 3.42Å; S26-E120 PolarHBondContact OG-OE1 3.36Å |
| 27 | S | 91 | Very high | 96.7 | Very high | 76 Ų | 76 | 30.3 Ų | 30.3 | 53% | 0.531 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.6 | 162.9 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | R29 | S27-R29 PolarHBondContact O-N 3.44Š|
| 28 | N | 92.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 10.8 | 177.6 | -57.4 | -10.2 | 0 | 0 | 0 | 112.1 | F24 S26 A30 F82 D83 H227 | F24-N28 WeakPolarHBondContact CE1-O 3.48Å; F24-N28 HydrophobicContact CZ-CB 4.08Å; S26-N28 PolarHBondContact O-N 3.15Å; S26-N28 PolarHBondContact OG-N 2.82Å; N28-A30 PolarHBondContact O-N 2.94Å; N28-F82 HydrophobicContact CB-CZ 4.17Å; N28-D83 VanDerWaalsContact O-CB 3.32Å; N28-D83 WeakPolarHBondContact O-CB 3.04Å; N28-H227 PolarHBondContact O-CE1 3.09Å |
| 29 | R | 96.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 28% | 0.275 | 18% | 0.178 | S | C | . | . | trans | -67.9 | 108.6 | 172.8 | 179.3 | 173.7 | 56.8 | -145.5 | 7.1 | 108.4 | E21 F24 S26 S27 H227 | E21-R29 VanDerWaalsContact O-CD 3.24Å; E21-R29 WeakPolarHBondContact O-CD 3.36Å; F24-R29 HydrophobicContact CD1-CB 3.92Å; F24-R29 HydrophobicContact CD1-CG 4.08Å; F24-R29 HydrophobicContact CE1-CB 4.23Å; F24-R29 HydrophobicContact CG-CB 4.39Å; F24-R29 VanDerWaalsContact O-CD 3.24Å; F24-R29 WeakPolarHBondContact O-CD 3.44Å; F24-R29 PolarHBondContact O-NH1 2.84Å; S26-R29 WeakPolarHBondContact O-CB 3.45Å; S26-R29 PolarHBondContact O-N 3Å; S27-R29 PolarHBondContact O-N 3.44Å; R29-H227 PolarHBondContact O-ND1 3Å | ||
| 30 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -70.7 | 147 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N28 D83 G226 | N28-A30 PolarHBondContact O-N 2.94Å; A30-D83 HydrophobicContact CB-CB 4.26Å; A30-D83 WeakPolarHBondContact CB-O 3.43Å; A30-G226 CarbonylContact C-O 3.58Å; A30-G226 VanDerWaalsContact CA-O 3.22Å; A30-G226 WeakPolarHBondContact CA-O 3.09Å | ||
| 31 | N | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -80.2 | 135 | 164 | -67 | -34.9 | 0 | 0 | 0 | 108.5 | W18 Q20 W33 P225 G226 Y228 | W18-N31 WeakPolarHBondContact CZ2-OD1 3.44Å; W18-N31 VanDerWaalsContact NE1-CG 3.28Å; W18-N31 PolarHBondContact NE1-OD1 2.99Å; Q20-N31 PolarHBondContact NE2-OD1 3.27Å; N31-W33 HydrophobicContact CB-CH2 4.36Å; N31-W33 HydrophobicContact CB-CZ2 3.59Å; N31-P225 VanDerWaalsContact CB-O 3.3Å; N31-P225 WeakPolarHBondContact CB-O 3.16Å; N31-P225 PolarHBondContact ND2-O 3.19Å; N31-G226 PolarHBondContact N-O 3.41Å; N31-Y228 PolarHBondContact ND2-O 3.04Å | ||
| 32 | I | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.8 | 173.6 | -64.1 | 161.6 | 0 | 0 | 0 | 106.8 | Y7 I19 V43 L53 | Y7-I32 HydrophobicContact CE1-CD1 4.17Å; I19-I32 HydrophobicContact CB-CB 3.92Å; I19-I32 HydrophobicContact CB-CG2 3.96Å; I19-I32 HydrophobicContact CD1-CG2 4.38Å; I19-I32 HydrophobicContact CG2-CB 4.42Å; I19-I32 HydrophobicContact CG2-CD1 4.47Å; I19-I32 HydrophobicContact CG2-CG2 4.42Å; I19-I32 PolarHBondContact N-O 2.78Å; I19-I32 WeakPolarHBondContact O-CB 3.48Å; I19-I32 PolarHBondContact O-N 3.34Å; I32-V43 HydrophobicContact CG2-CG2 3.55Å; I32-L53 HydrophobicContact CD1-CD2 4.21Å; I32-L53 HydrophobicContact CG2-CD2 3.93Å |
| 33 | W | 98.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125 | -179.4 | -52.3 | 103.6 | 0 | 0 | 0 | 109.8 | L12 Y17 W18 N31 L35 V43 I44 F182 M224 P225 T230 | L12-W33 HydrophobicContact CD1-CZ3 3.92Å; Y17-W33 WeakPolarHBondContact O-CA 3.34Å; W18-W33 HydrophobicContact CB-CE3 4.06Å; W18-W33 HydrophobicContact CB-CH2 4.36Å; W18-W33 HydrophobicContact CB-CZ3 3.53Å; W18-W33 AromaticContact CD1-CE3 3.96Å; W18-W33 AromaticContact CD1-CH2 3.57Å; W18-W33 AromaticContact CD1-CZ3 3.44Å; W18-W33 VanDerWaalsContact CD1-CZ3 3.44Å; W18-W33 HydrophobicContact CD2-CH2 4.35Å; W18-W33 HydrophobicContact CD2-CZ3 4.35Å; W18-W33 HydrophobicContact CG-CE3 4.24Å; W18-W33 AromaticContact CG-CH2 3.87Å; W18-W33 HydrophobicContact CG-CH2 3.87Å; W18-W33 AromaticContact CG-CZ3 3.5Å; W18-W33 HydrophobicContact CG-CZ3 3.5Å; W18-W33 VanDerWaalsContact CG-CZ3 3.5Å; W18-W33 AromaticContact NE1-CH2 3.9Å; N31-W33 HydrophobicContact CB-CH2 4.36Å; N31-W33 HydrophobicContact CB-CZ2 3.59Å; W33-L35 HydrophobicContact CB-CD1 4.02Å; W33-V43 CarbonylContact O-C 3.56Å; W33-V43 VanDerWaalsContact O-CA 3.28Å; W33-V43 WeakPolarHBondContact O-CA 3.18Å; W33-I44 HydrophobicContact CB-CB 4.17Å; W33-I44 HydrophobicContact CB-CD1 4.43Å; W33-I44 PolarHBondContact N-O 2.84Å; W33-I44 PolarHBondContact O-N 3.31Å; W33-F182 HydrophobicContact CB-CD1 3.85Å; W33-F182 HydrophobicContact CB-CE1 3.78Å; W33-F182 AromaticContact CD1-CD1 3.74Å; W33-F182 HydrophobicContact CD2-CD1 4.24Å; W33-F182 HydrophobicContact CD2-CE1 4.22Å; W33-F182 AromaticContact CG-CD1 3.64Å; W33-F182 HydrophobicContact CG-CD1 3.64Å; W33-F182 AromaticContact CG-CE1 3.84Å; W33-F182 HydrophobicContact CG-CE1 3.84Å; W33-M224 HydrophobicContact CD2-CB 4.15Å; W33-M224 HydrophobicContact CD2-CE 4.22Å; W33-M224 HydrophobicContact CE3-CE 3.57Å; W33-M224 HydrophobicContact CH2-CB 4.43Å; W33-M224 HydrophobicContact CH2-CE 3.58Å; W33-M224 HydrophobicContact CZ2-CB 3.95Å; W33-M224 HydrophobicContact CZ2-CE 4.2Å; W33-M224 HydrophobicContact CZ3-CE 3.2Å; W33-M224 PolarHBondContact NE1-O 3.37Å; W33-P225 WeakPolarHBondContact CZ2-O 3.33Å; W33-P225 PolarHBondContact NE1-O 3.25Å; W33-P225 VanDerWaalsContact NE1-O 3.16Å; W33-T230 HydrophobicContact CH2-CG2 3.69Å; W33-T230 HydrophobicContact CZ2-CG2 4.41Å; W33-T230 HydrophobicContact CZ3-CG2 4.38Å |
| 34 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.2 | 171.2 | 172 | 70.5 | 0 | 0 | 0 | 108.6 | L16 Y17 I19 D41 V42 V43 I57 L62 L73 | L16-L34 CarbonylContact C-O 3.53Å; L16-L34 WeakPolarHBondContact CA-O 3.35Å; Y17-L34 HydrophobicContact CD2-CD2 4.09Å; Y17-L34 HydrophobicContact CD2-CG 4.28Å; Y17-L34 PolarHBondContact N-O 3.39Å; Y17-L34 PolarHBondContact O-N 2.8Å; I19-L34 HydrophobicContact CD1-CB 3.98Å; I19-L34 HydrophobicContact CD1-CD2 4.37Å; L34-D41 HydrophobicContact CD1-CB 4.46Å; L34-V42 WeakPolarHBondContact CA-O 3.4Å; L34-V43 HydrophobicContact CD1-CB 4.33Å; L34-I57 HydrophobicContact CD1-CD1 4.48Å; L34-I57 HydrophobicContact CD2-CD1 4.47Å; L34-I57 HydrophobicContact CD2-CG1 4.36Å; L34-I57 HydrophobicContact CD2-CG2 3.95Å; L34-L62 HydrophobicContact CD2-CB 3.58Å; L34-L62 HydrophobicContact CD2-CD1 4.41Å; L34-L73 HydrophobicContact CD1-CD1 3.97Å |
| 35 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.9 | 176.4 | -74.7 | 72.4 | 0 | 0 | 0 | 108.7 | L16 W33 D41 V42 I44 L153 L158 F182 | L16-L35 HydrophobicContact CD1-CD1 3.72Å; L16-L35 HydrophobicContact CD1-CG 3.9Å; W33-L35 HydrophobicContact CB-CD1 4.02Å; L35-D41 WeakPolarHBondContact O-CA 3.32Å; L35-V42 PolarHBondContact N-O 2.88Å; L35-V42 PolarHBondContact O-N 2.83Å; L35-I44 HydrophobicContact CD1-CD1 3.67Å; L35-I44 HydrophobicContact CD1-CG1 4.3Å; L35-I44 HydrophobicContact CD2-CD1 4.48Å; L35-L153 HydrophobicContact CB-CD2 3.8Å; L35-L153 HydrophobicContact CD2-CD2 4.48Å; L35-L158 HydrophobicContact CD2-CD1 3.98Å; L35-L158 HydrophobicContact CD2-CD2 3.91Å; L35-L158 HydrophobicContact CD2-CG 4.46Å; L35-F182 HydrophobicContact CD1-CD1 4.42Å; L35-F182 HydrophobicContact CD1-CE1 3.68Å; L35-F182 HydrophobicContact CD1-CE2 4.34Å; L35-F182 HydrophobicContact CD1-CZ 3.65Å; L35-F182 HydrophobicContact CD2-CE1 4.46Å; L35-F182 HydrophobicContact CD2-CE2 3.67Å; L35-F182 HydrophobicContact CD2-CZ 3.62Å; L35-F182 HydrophobicContact CG-CE1 4.48Å; L35-F182 HydrophobicContact CG-CE2 4.5Å; L35-F182 HydrophobicContact CG-CZ 3.96Å |
| 36 | R | 95.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 22.3 Ų | 22.3 | 23% | 0.226 | 12% | 0.12 | C | C | . | . | trans | -81.3 | 146.5 | 168.8 | -66.1 | -174.6 | -176.8 | -170.2 | 0 | 112.3 | G15 Y17 D41 G61 L62 L63 | G15-R36 PolarHBondContact O-N 2.71Å; Y17-R36 HydrophobicContact CE2-CG 4.19Å; Y17-R36 PolarHBondContact OH-NH2 3.34Å; R36-D41 WeakPolarHBondContact CA-OD1 3.31Å; R36-D41 WeakPolarHBondContact CB-OD1 3.19Å; R36-G61 PolarHBondContact NH2-O 2.9Å; R36-L62 VanDerWaalsContact CZ-O 3.24Å; R36-L62 PolarHBondContact NE-O 2.82Å; R36-L62 PolarHBondContact NH2-O 3.46Å; R36-L63 PolarHBondContact NE-O 2.64Å; R36-L63 PolarHBondContact NH1-O 3.18Å; R36-L63 PolarHBondContact NH2-O 3.41Å; R36-L63 VanDerWaalsContact NH2-O 3.09Å | ||
| 37 | G | 93.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 7% | 0.072 | 11% | 0.112 | C | C | . | . | trans | -137.7 | 151.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H39 Q40 D41 R69 L153 | G37-H39 PolarHBondContact O-N 2.98Å; G37-Q40 WeakPolarHBondContact CA-O 3.43Å; G37-Q40 PolarHBondContact N-O 3.46Å; G37-D41 PolarHBondContact N-OD1 2.76Å; G37-R69 PolarHBondContact O-NH1 2.94Å; G37-L153 CarbonylContact C-O 3.33Å; G37-L153 VanDerWaalsContact C-O 3.32Å; G37-L153 WeakPolarHBondContact CA-O 3.27Å | ||
| 38 | S | 91.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 17.6 Ų | 17.6 | 46% | 0.462 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -62.8 | -25.5 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | L153 G154 D155 | S38-L153 PolarHBondContact N-O 2.95Å; S38-L153 VanDerWaalsContact N-O 3.15Å; S38-G154 WeakPolarHBondContact OG-CA 3.2Å; S38-D155 WeakPolarHBondContact CB-OD1 3.42Å; S38-D155 PolarHBondContact N-OD1 3.3Å; S38-D155 VanDerWaalsContact OG-CG 3.24Å; S38-D155 PolarHBondContact OG-N 3.04Å; S38-D155 PolarHBondContact OG-OD1 2.66Å |
| 39 | H | 89.4 | Confident | 96.8 | Very high | 102 Ų | 102 | 16.1 Ų | 16.1 | 47% | 0.472 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -107.4 | -41.5 | 176.7 | -174.7 | 67.2 | 0 | 0 | 0 | 113.5 | G37 N71 L153 | G37-H39 PolarHBondContact O-N 2.98Å; H39-N71 PolarHBondContact CE1-ND2 2.8Å; H39-N71 PolarHBondContact NE2-ND2 3.26Å; H39-N71 VanDerWaalsContact NE2-ND2 3.17Å; H39-N71 PolarHBondContact O-ND2 2.99Å; H39-L153 WeakPolarHBondContact CB-O 3.39Å; H39-L153 PolarHBondContact N-O 3.39Å |
| 40 | Q | 93.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 13.2 Ų | 13.2 | 8% | 0.075 | 7% | 0.071 | C | C | . | . | trans | -147.4 | 128.2 | -171.2 | 177.1 | 68.2 | 65.4 | 0 | 0 | 109.3 | G37 V42 P72 L74 L153 | G37-Q40 WeakPolarHBondContact CA-O 3.43Å; G37-Q40 PolarHBondContact N-O 3.46Å; Q40-V42 HydrophobicContact CG-CG2 4.25Å; Q40-P72 PolarHBondContact NE2-O 3.03Å; Q40-L74 HydrophobicContact CG-CB 4.34Å; Q40-L153 PolarHBondContact N-O 2.94Å; Q40-L153 WeakPolarHBondContact O-CB 3.32Å; Q40-L153 VanDerWaalsContact O-CG 3.27Å; Q40-L153 WeakPolarHBondContact O-CG 3.27Å | ||
| 41 | D | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -86.2 | 147.2 | 164.3 | -66.7 | -17.7 | 0 | 0 | 0 | 108.9 | L34 L35 R36 G37 L63 G64 R69 L73 L74 | L34-D41 HydrophobicContact CD1-CB 4.46Å; L35-D41 WeakPolarHBondContact O-CA 3.32Å; R36-D41 WeakPolarHBondContact CA-OD1 3.31Å; R36-D41 WeakPolarHBondContact CB-OD1 3.19Å; G37-D41 PolarHBondContact N-OD1 2.76Å; D41-L63 HydrophobicContact CB-CD2 4.25Å; D41-L63 VanDerWaalsContact OD2-CA 3.29Å; D41-L63 WeakPolarHBondContact OD2-CA 3.42Å; D41-L63 WeakPolarHBondContact OD2-CB 3.29Å; D41-L63 WeakPolarHBondContact OD2-CD2 3.29Å; D41-G64 PolarHBondContact OD2-N 2.9Å; D41-R69 IonicContact OD1-CZ 3.34Å; D41-R69 IonicContact OD1-NH1 2.66Å; D41-R69 PolarHBondContact OD1-NH1 3.35Å; D41-R69 IonicContact OD1-NH2 3.34Å; D41-R69 PolarHBondContact OD1-NH2 2.95Å; D41-R69 IonicContact OD2-CZ 3.27Å; D41-R69 VanDerWaalsContact OD2-CZ 3.27Å; D41-R69 IonicContact OD2-NH1 3.04Å; D41-R69 PolarHBondContact OD2-NH1 3.49Å; D41-R69 IonicContact OD2-NH2 2.71Å; D41-R69 PolarHBondContact OD2-NH2 2.74Å; D41-L73 HydrophobicContact CB-CD1 3.76Å; D41-L73 WeakPolarHBondContact O-CD1 3.39Å; D41-L74 PolarHBondContact O-N 3.01Å | ||
| 42 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.4 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | L34 L35 Q40 I44 L74 I76 I151 L153 | L34-V42 WeakPolarHBondContact CA-O 3.4Å; L35-V42 PolarHBondContact N-O 2.88Å; L35-V42 PolarHBondContact O-N 2.83Å; Q40-V42 HydrophobicContact CG-CG2 4.25Å; V42-I44 HydrophobicContact CG1-CG1 3.91Å; V42-L74 CarbonylContact C-O 3.44Å; V42-L74 WeakPolarHBondContact CA-O 3.28Å; V42-L74 HydrophobicContact CG2-CB 4.34Å; V42-L74 HydrophobicContact CG2-CD2 4.21Å; V42-L74 HydrophobicContact CG2-CG 4.5Å; V42-I76 HydrophobicContact CG1-CD1 3.8Å; V42-I76 HydrophobicContact CG1-CG1 4.04Å; V42-I151 HydrophobicContact CG2-CG2 3.92Å; V42-L153 HydrophobicContact CB-CD2 4.26Å; V42-L153 HydrophobicContact CG2-CD1 3.81Å; V42-L153 HydrophobicContact CG2-CD2 4.05Å; V42-L153 HydrophobicContact CG2-CG 3.86Å |
| 43 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.3 | 163.1 | 66.9 | 0 | 0 | 0 | 0 | 108.8 | I32 W33 L34 L53 I57 L73 L74 A75 I76 F91 | I32-V43 HydrophobicContact CG2-CG2 3.55Å; W33-V43 CarbonylContact O-C 3.56Å; W33-V43 VanDerWaalsContact O-CA 3.28Å; W33-V43 WeakPolarHBondContact O-CA 3.18Å; L34-V43 HydrophobicContact CD1-CB 4.33Å; V43-L53 HydrophobicContact CG2-CD2 4.21Å; V43-I57 HydrophobicContact CG2-CD1 4.4Å; V43-L73 HydrophobicContact CB-CD1 4.28Å; V43-L73 HydrophobicContact CB-CD2 4.37Å; V43-L73 HydrophobicContact CG1-CD1 4.31Å; V43-L73 HydrophobicContact CG1-CD2 4.11Å; V43-L73 HydrophobicContact CG1-CG 4.09Å; V43-L74 PolarHBondContact N-O 3.12Å; V43-A75 HydrophobicContact CG1-CB 3.59Å; V43-A75 CarbonylContact O-C 3.58Å; V43-A75 WeakPolarHBondContact O-CA 3.49Å; V43-I76 PolarHBondContact O-N 2.84Å; V43-F91 HydrophobicContact CG1-CD1 4.27Å; V43-F91 HydrophobicContact CG1-CE1 3.59Å; V43-F91 HydrophobicContact CG1-CZ 3.81Å |
| 44 | I | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.8 | 179.2 | -51.1 | 168.4 | 0 | 0 | 0 | 106.8 | W33 L35 V42 I76 T78 L158 L173 F182 | W33-I44 HydrophobicContact CB-CB 4.17Å; W33-I44 HydrophobicContact CB-CD1 4.43Å; W33-I44 PolarHBondContact N-O 2.84Å; W33-I44 PolarHBondContact O-N 3.31Å; L35-I44 HydrophobicContact CD1-CD1 3.67Å; L35-I44 HydrophobicContact CD1-CG1 4.3Å; L35-I44 HydrophobicContact CD2-CD1 4.48Å; V42-I44 HydrophobicContact CG1-CG1 3.91Å; I44-I76 CarbonylContact C-O 3.57Å; I44-I76 WeakPolarHBondContact CA-O 3.34Å; I44-T78 HydrophobicContact CG2-CG2 3.68Å; I44-L158 HydrophobicContact CD1-CD1 4.28Å; I44-L173 HydrophobicContact CD1-CD1 3.74Å; I44-L173 HydrophobicContact CG1-CD1 3.79Å; I44-L173 HydrophobicContact CG2-CD1 4.03Å; I44-F182 HydrophobicContact CD1-CB 3.85Å; I44-F182 HydrophobicContact CD1-CD1 3.58Å; I44-F182 HydrophobicContact CD1-CD2 3.87Å; I44-F182 HydrophobicContact CD1-CE1 4.11Å; I44-F182 HydrophobicContact CD1-CE2 4.38Å; I44-F182 HydrophobicContact CD1-CG 3.46Å; I44-F182 VanDerWaalsContact CD1-CG 3.46Å; I44-F182 HydrophobicContact CD1-CZ 4.49Å |
| 45 | D | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | 58.4 | 165 | -168.5 | -58.5 | -33.4 | 0 | 0 | 0 | 113.5 | I76 A77 T78 H84 | D45-I76 PolarHBondContact N-O 3.42Å; D45-A77 WeakPolarHBondContact OD1-CA 3.36Å; D45-T78 PolarHBondContact OD1-N 3.36Å; D45-T78 PolarHBondContact OD1-OG1 3.43Å; D45-T78 WeakPolarHBondContact OD2-CG2 3.45Å; D45-T78 PolarHBondContact OD2-OG1 2.99Å; D45-H84 HydrophobicContact CB-CB 4.11Å; D45-H84 IonicContact OD1-ND1 3.02Å; D45-H84 IonicContact OD2-CE1 3.64Å; D45-H84 IonicContact OD2-CG 2.67Å; D45-H84 IonicContact OD2-ND1 2.67Å; D45-H84 PolarHBondContact OD2-ND1 3.16Å | ||
| 46 | T | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -139.4 | 2.7 | -166.6 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | L53 A75 H84 G87 L88 F91 | T46-L53 HydrophobicContact CG2-CD2 4.37Å; T46-A75 HydrophobicContact CG2-CB 4.11Å; T46-H84 PolarHBondContact N-O 3.21Å; T46-H84 PolarHBondContact OG1-O 2.86Å; T46-G87 VanDerWaalsContact OG1-CA 3.27Å; T46-G87 WeakPolarHBondContact OG1-CA 3.37Å; T46-G87 PolarHBondContact OG1-N 2.87Å; T46-L88 HydrophobicContact CG2-CD2 3.76Å; T46-L88 HydrophobicContact CG2-CG 4.39Å; T46-L88 PolarHBondContact OG1-N 2.93Å; T46-F91 HydrophobicContact CG2-CD2 4.23Å; T46-F91 HydrophobicContact CG2-CE2 3.63Å; T46-F91 HydrophobicContact CG2-CZ 4.21Å | ||
| 47 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -159.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E21 G49 D83 G86 G87 | E21-G47 WeakPolarHBondContact OE2-CA 3.47Å; G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.1Å; G47-D83 CarbonylContact C-O 3.42Å; G47-D83 VanDerWaalsContact C-O 3.26Å; G47-D83 WeakPolarHBondContact CA-O 3.21Å; G47-D83 PolarHBondContact N-O 3.36Å; G47-G86 VanDerWaalsContact O-CA 3.3Å; G47-G86 WeakPolarHBondContact O-CA 3.37Å; G47-G86 PolarHBondContact O-N 3.31Å; G47-G86 VanDerWaalsContact O-N 3.11Å; G47-G87 PolarHBondContact O-N 2.87Å |
| 48 | L | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.3 | 177.7 | -58.7 | 176.4 | 0 | 0 | 0 | 113.9 | E21 F24 L50 F82 D83 L116 I121 Y134 | E21-L48 PolarHBondContact OE1-N 3.46Å; E21-L48 WeakPolarHBondContact OE2-CG 3.48Å; E21-L48 PolarHBondContact OE2-N 2.99Å; F24-L48 HydrophobicContact CB-CD1 4.18Å; F24-L48 HydrophobicContact CD1-CD1 3.52Å; F24-L48 HydrophobicContact CD1-CD2 4.36Å; F24-L48 HydrophobicContact CD1-CG 3.78Å; F24-L48 HydrophobicContact CD2-CD1 3.96Å; F24-L48 HydrophobicContact CE1-CD1 3.76Å; F24-L48 HydrophobicContact CE1-CD2 3.82Å; F24-L48 HydrophobicContact CE1-CG 3.76Å; F24-L48 HydrophobicContact CE2-CD1 4.16Å; F24-L48 HydrophobicContact CG-CD1 3.64Å; F24-L48 HydrophobicContact CG-CG 4.41Å; F24-L48 HydrophobicContact CZ-CD1 4.08Å; F24-L48 HydrophobicContact CZ-CD2 4.1Å; F24-L48 HydrophobicContact CZ-CG 4.36Å; L48-L50 HydrophobicContact CB-CD1 4.13Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 3.82Å; L48-L50 HydrophobicContact CD1-CG 4.48Å; L48-L50 PolarHBondContact O-N 2.67Å; L48-L50 VanDerWaalsContact O-N 3.16Å; L48-F82 HydrophobicContact CD2-CD2 3.52Å; L48-F82 HydrophobicContact CD2-CE2 3.59Å; L48-D83 HydrophobicContact CD2-CB 4.47Å; L48-L116 HydrophobicContact CD1-CD1 4.1Å; L48-L116 HydrophobicContact CD1-CD2 4.35Å; L48-L116 HydrophobicContact CD2-CD1 4.45Å; L48-I121 HydrophobicContact CD1-CD1 3.78Å; L48-Y134 WeakPolarHBondContact CA-OH 3.42Å; L48-Y134 HydrophobicContact CB-CE2 4.33Å; L48-Y134 HydrophobicContact CD2-CE1 4.32Å; L48-Y134 WeakPolarHBondContact O-CE2 3.5Å; L48-Y134 PolarHBondContact O-OH 2.87Å |
| 49 | G | 96.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | trans | 63.1 | 22.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G47 R51 G87 Q90 | G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.1Å; G49-R51 PolarHBondContact O-N 2.67Å; G49-G87 VanDerWaalsContact CA-CA 3.48Å; G49-Q90 PolarHBondContact O-NE2 2.77Å | ||
| 50 | L | 96.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -70.7 | -20 | 178.2 | -68.2 | 177.2 | 0 | 0 | 0 | 112.6 | W6 L48 I121 P125 W126 W129 Y134 | W6-L50 HydrophobicContact CH2-CB 4.26Å; W6-L50 HydrophobicContact CH2-CD1 3.81Å; W6-L50 HydrophobicContact CZ2-CB 3.78Å; W6-L50 HydrophobicContact CZ2-CD1 3.62Å; W6-L50 HydrophobicContact CZ2-CG 4.27Å; L48-L50 HydrophobicContact CB-CD1 4.13Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 3.82Å; L48-L50 HydrophobicContact CD1-CG 4.48Å; L48-L50 PolarHBondContact O-N 2.67Å; L48-L50 VanDerWaalsContact O-N 3.16Å; L50-I121 HydrophobicContact CD1-CD1 4.18Å; L50-P125 HydrophobicContact CB-CB 4.19Å; L50-P125 HydrophobicContact CB-CG 4.36Å; L50-P125 HydrophobicContact CD1-CG 4.28Å; L50-P125 HydrophobicContact CD2-CG 4.49Å; L50-W126 HydrophobicContact CB-CZ3 4.43Å; L50-W126 HydrophobicContact CD2-CH2 4.02Å; L50-W126 HydrophobicContact CD2-CZ3 4.24Å; L50-W126 WeakPolarHBondContact O-CZ3 3.44Å; L50-W129 HydrophobicContact CD1-CZ2 3.95Å; L50-W129 HydrophobicContact CD2-CZ2 4.23Å; L50-Y134 HydrophobicContact CD2-CD2 3.69Å; L50-Y134 HydrophobicContact CD2-CE2 3.98Å; L50-Y134 HydrophobicContact CG-CE2 4.48Å |
| 51 | R | 96.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -133.7 | 164 | 173.9 | -73.4 | -75.9 | 168.6 | -106.8 | 20.4 | 109.6 | M1 W6 Y7 G49 L53 Q90 P125 | M1-R51 PolarHBondContact O-NE 3.17Å; W6-R51 HydrophobicContact CB-CB 3.79Å; W6-R51 HydrophobicContact CB-CG 3.68Å; W6-R51 HydrophobicContact CD2-CB 4.25Å; W6-R51 HydrophobicContact CD2-CG 3.74Å; W6-R51 HydrophobicContact CE3-CG 4.04Å; W6-R51 HydrophobicContact CG-CB 3.66Å; W6-R51 HydrophobicContact CG-CG 3.57Å; Y7-R51 HydrophobicContact CE2-CB 3.85Å; Y7-R51 PolarHBondContact OH-O 3.39Å; G49-R51 PolarHBondContact O-N 2.67Å; R51-L53 PolarHBondContact O-N 3.45Å; R51-L53 VanDerWaalsContact O-N 3.16Å; R51-Q90 PolarHBondContact O-NE2 3.2Å; R51-Q90 PolarHBondContact O-OE1 2.7Å; R51-P125 PolarHBondContact NH2-O 3.11Å |
| 52 | S | 97.2 | Very high | 97 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | trans | -75.1 | 103.6 | -175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | A3 D55 Y56 | A3-S52 VanDerWaalsContact CB-O 3.28Å; A3-S52 WeakPolarHBondContact CB-O 3.31Å; S52-D55 WeakPolarHBondContact CB-OD2 3.37Å; S52-D55 WeakPolarHBondContact OG-CB 3.39Å; S52-D55 PolarHBondContact OG-N 3.29Å; S52-D55 PolarHBondContact OG-OD2 2.87Å; S52-Y56 PolarHBondContact O-N 3.5Å; S52-Y56 VanDerWaalsContact O-N 3.15Å | ||
| 53 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 174 | 179.4 | 59.5 | 0 | 0 | 0 | 112 | Y7 I19 I32 V43 T46 R51 D55 Y56 I57 F91 | Y7-L53 HydrophobicContact CD1-CD1 4.13Å; Y7-L53 HydrophobicContact CE1-CB 4.49Å; Y7-L53 HydrophobicContact CE1-CD1 4.01Å; Y7-L53 HydrophobicContact CE2-CB 4.29Å; Y7-L53 HydrophobicContact CE2-CD1 4.47Å; Y7-L53 HydrophobicContact CG-CD1 4.42Å; I19-L53 HydrophobicContact CD1-CD1 4.38Å; I19-L53 HydrophobicContact CG2-CD1 4.09Å; I32-L53 HydrophobicContact CD1-CD2 4.21Å; I32-L53 HydrophobicContact CG2-CD2 3.93Å; V43-L53 HydrophobicContact CG2-CD2 4.21Å; T46-L53 HydrophobicContact CG2-CD2 4.37Å; R51-L53 PolarHBondContact O-N 3.45Å; R51-L53 VanDerWaalsContact O-N 3.16Å; L53-D55 PolarHBondContact O-N 3.05Å; L53-Y56 HydrophobicContact CD1-CD1 4.3Å; L53-Y56 WeakPolarHBondContact O-CB 3.48Å; L53-Y56 PolarHBondContact O-N 2.86Å; L53-I57 HydrophobicContact CD1-CD1 3.91Å; L53-I57 HydrophobicContact CD1-CG1 4.04Å; L53-I57 HydrophobicContact CG-CD1 3.82Å; L53-I57 HydrophobicContact CG-CG1 4.39Å; L53-I57 WeakPolarHBondContact O-CB 3.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.1Å; L53-I57 PolarHBondContact O-N 3.31Å; L53-F91 HydrophobicContact CB-CZ 4.17Å; L53-F91 HydrophobicContact CD2-CE2 4.37Å; L53-F91 HydrophobicContact CD2-CZ 3.89Å; L53-F91 HydrophobicContact CG-CZ 4.04Å |
| 54 | P | 97.2 | Very high | 96.2 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 173.4 | -24.9 | 33.3 | 0 | 0 | 0 | 113.3 | Y56 I57 N58 Q90 F91 | P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-Y56 PolarHBondContact O-N 2.86Å; P54-I57 PolarHBondContact O-N 2.93Å; P54-N58 WeakPolarHBondContact O-CB 3.5Å; P54-N58 PolarHBondContact O-N 3.46Å; P54-Q90 VanDerWaalsContact CD-OE1 3.24Å; P54-Q90 HydrophobicContact CG-CB 3.92Å; P54-F91 HydrophobicContact CG-CD1 4.08Å; P54-F91 HydrophobicContact CG-CD2 4.48Å; P54-F91 HydrophobicContact CG-CE1 3.73Å; P54-F91 HydrophobicContact CG-CE2 4.15Å; P54-F91 HydrophobicContact CG-CG 4.45Å; P54-F91 HydrophobicContact CG-CZ 3.76Å |
| 55 | D | 96.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 38.1 Ų | 38.1 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 178.6 | -67.3 | -29.5 | 0 | 0 | 0 | 111.5 | A3 S52 L53 S59 | A3-D55 HydrophobicContact CB-CB 4.4Å; S52-D55 WeakPolarHBondContact CB-OD2 3.37Å; S52-D55 WeakPolarHBondContact OG-CB 3.39Å; S52-D55 PolarHBondContact OG-N 3.29Å; S52-D55 PolarHBondContact OG-OD2 2.87Å; L53-D55 PolarHBondContact O-N 3.05Å; D55-S59 WeakPolarHBondContact O-CB 3.29Å; D55-S59 PolarHBondContact O-N 2.96Å; D55-S59 PolarHBondContact O-OG 3.45Å |
| 56 | Y | 98 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -52 | 174.1 | 173.9 | -101.2 | 0 | 0 | 0 | 111.2 | Y7 A8 H9 I19 S52 L53 P54 N58 S59 K60 L62 | Y7-Y56 HydrophobicContact CD2-CD1 4.28Å; Y7-Y56 HydrophobicContact CD2-CD2 4.21Å; Y7-Y56 AromaticContact CD2-CG 3.82Å; Y7-Y56 HydrophobicContact CD2-CG 3.82Å; Y7-Y56 HydrophobicContact CG-CD1 4.11Å; Y7-Y56 HydrophobicContact CG-CD2 4.39Å; Y7-Y56 HydrophobicContact CG-CE1 4.49Å; Y7-Y56 HydrophobicContact CG-CG 4.04Å; Y7-Y56 WeakPolarHBondContact O-CE2 3.33Å; A8-Y56 WeakPolarHBondContact CA-OH 3.27Å; H9-Y56 HydrophobicContact CB-CE1 4.38Å; H9-Y56 PolarHBondContact N-OH 2.83Å; H9-Y56 VanDerWaalsContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.77Å; H9-Y56 PolarHBondContact ND1-OH 3.32Å; I19-Y56 HydrophobicContact CD1-CE1 4.45Å; I19-Y56 HydrophobicContact CG2-CD1 4.38Å; I19-Y56 HydrophobicContact CG2-CE1 3.96Å; S52-Y56 PolarHBondContact O-N 3.5Å; S52-Y56 VanDerWaalsContact O-N 3.15Å; L53-Y56 HydrophobicContact CD1-CD1 4.3Å; L53-Y56 WeakPolarHBondContact O-CB 3.48Å; L53-Y56 PolarHBondContact O-N 2.86Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-Y56 PolarHBondContact O-N 2.86Å; Y56-N58 VanDerWaalsContact C-N 3.33Å; Y56-N58 PolarHBondContact O-N 2.99Å; Y56-S59 PolarHBondContact O-N 3.44Å; Y56-S59 PolarHBondContact O-OG 2.73Å; Y56-K60 HydrophobicContact CD2-CG 4.09Å; Y56-K60 HydrophobicContact CE2-CD 4.44Å; Y56-K60 HydrophobicContact CE2-CG 3.76Å; Y56-K60 WeakPolarHBondContact O-CB 3.37Å; Y56-K60 WeakPolarHBondContact O-CG 3.45Å; Y56-K60 PolarHBondContact O-N 3.3Å; Y56-L62 HydrophobicContact CE1-CD1 4.17Å |
| 57 | I | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 179.8 | -71.8 | 171.6 | 0 | 0 | 0 | 110.7 | I19 L34 V43 L53 P54 G61 L62 L63 L73 | I19-I57 HydrophobicContact CD1-CD1 4.22Å; I19-I57 HydrophobicContact CD1-CG1 3.96Å; L34-I57 HydrophobicContact CD1-CD1 4.48Å; L34-I57 HydrophobicContact CD2-CD1 4.47Å; L34-I57 HydrophobicContact CD2-CG1 4.36Å; L34-I57 HydrophobicContact CD2-CG2 3.95Å; V43-I57 HydrophobicContact CG2-CD1 4.4Å; L53-I57 HydrophobicContact CD1-CD1 3.91Å; L53-I57 HydrophobicContact CD1-CG1 4.04Å; L53-I57 HydrophobicContact CG-CD1 3.82Å; L53-I57 HydrophobicContact CG-CG1 4.39Å; L53-I57 WeakPolarHBondContact O-CB 3.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.1Å; L53-I57 PolarHBondContact O-N 3.31Å; P54-I57 PolarHBondContact O-N 2.93Å; I57-G61 PolarHBondContact O-N 2.84Å; I57-L62 HydrophobicContact CG2-CB 4.08Å; I57-L62 PolarHBondContact O-N 2.65Å; I57-L63 HydrophobicContact CG2-CD1 4.41Å; I57-L63 HydrophobicContact CG2-CD2 3.38Å; I57-L63 HydrophobicContact CG2-CG 3.67Å; I57-L73 HydrophobicContact CD1-CD2 3.74Å; I57-L73 HydrophobicContact CG2-CD2 4.28Å |
| 58 | N | 94.3 | Very high | 92.1 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.4 | -48.9 | 179.2 | -175.1 | 60.1 | 0 | 0 | 0 | 112.4 | P54 Y56 K60 G61 | P54-N58 WeakPolarHBondContact O-CB 3.5Å; P54-N58 PolarHBondContact O-N 3.46Å; Y56-N58 VanDerWaalsContact C-N 3.33Å; Y56-N58 PolarHBondContact O-N 2.99Å; N58-K60 PolarHBondContact O-N 2.96Å; N58-G61 PolarHBondContact O-N 3.46Å |
| 59 | S | 94.9 | Very high | 91 | Very high | 65 Ų | 65 | 58 Ų | 58 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -23.7 | -178.5 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | T4 D55 Y56 | T4-S59 WeakPolarHBondContact CG2-OG 3.41Å; D55-S59 WeakPolarHBondContact O-CB 3.29Å; D55-S59 PolarHBondContact O-N 2.96Å; D55-S59 PolarHBondContact O-OG 3.45Å; Y56-S59 PolarHBondContact O-N 3.44Å; Y56-S59 PolarHBondContact O-OG 2.73Å |
| 60 | K | 96 | Very high | 89.8 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.8 | 174.6 | -65.7 | -57.7 | -177.8 | -175.1 | 0 | 113.3 | Y56 N58 L62 | Y56-K60 HydrophobicContact CD2-CG 4.09Å; Y56-K60 HydrophobicContact CE2-CD 4.44Å; Y56-K60 HydrophobicContact CE2-CG 3.76Å; Y56-K60 WeakPolarHBondContact O-CB 3.37Å; Y56-K60 WeakPolarHBondContact O-CG 3.45Å; Y56-K60 PolarHBondContact O-N 3.3Å; N58-K60 PolarHBondContact O-N 2.96Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 HydrophobicContact CB-CD1 3.96Å; K60-L62 HydrophobicContact CB-CD2 4.03Å; K60-L62 HydrophobicContact CB-CG 3.61Å; K60-L62 PolarHBondContact O-N 2.97Å |
| 61 | G | 93.9 | Very high | 89.1 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 36 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R36 I57 N58 | R36-G61 PolarHBondContact NH2-O 2.9Å; I57-G61 PolarHBondContact O-N 2.84Å; N58-G61 PolarHBondContact O-N 3.46Å |
| 62 | L | 95.4 | Very high | 88.7 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | trans | -87.5 | -7.4 | -173.2 | -57.7 | -177.2 | 0 | 0 | 0 | 113.9 | H9 Y17 I19 L34 R36 Y56 I57 K60 | H9-L62 HydrophobicContact CB-CD1 4.41Å; Y17-L62 HydrophobicContact CD1-CD2 4.14Å; Y17-L62 HydrophobicContact CE1-CD2 3.92Å; I19-L62 HydrophobicContact CD1-CD1 4.39Å; L34-L62 HydrophobicContact CD2-CB 3.58Å; L34-L62 HydrophobicContact CD2-CD1 4.41Å; R36-L62 VanDerWaalsContact CZ-O 3.24Å; R36-L62 PolarHBondContact NE-O 2.82Å; R36-L62 PolarHBondContact NH2-O 3.46Å; Y56-L62 HydrophobicContact CE1-CD1 4.17Å; I57-L62 HydrophobicContact CG2-CB 4.08Å; I57-L62 PolarHBondContact O-N 2.65Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 HydrophobicContact CB-CD1 3.96Å; K60-L62 HydrophobicContact CB-CD2 4.03Å; K60-L62 HydrophobicContact CB-CG 3.61Å; K60-L62 PolarHBondContact O-N 2.97Å | ||
| 63 | L | 93.6 | Very high | 88.6 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -83.1 | 162.9 | 173.4 | -58.5 | 178.2 | 0 | 0 | 0 | 111.9 | R36 D41 I57 L73 | R36-L63 PolarHBondContact NE-O 2.64Å; R36-L63 PolarHBondContact NH1-O 3.18Å; R36-L63 PolarHBondContact NH2-O 3.41Å; R36-L63 VanDerWaalsContact NH2-O 3.09Å; D41-L63 HydrophobicContact CB-CD2 4.25Å; D41-L63 VanDerWaalsContact OD2-CA 3.29Å; D41-L63 WeakPolarHBondContact OD2-CA 3.42Å; D41-L63 WeakPolarHBondContact OD2-CB 3.29Å; D41-L63 WeakPolarHBondContact OD2-CD2 3.29Å; I57-L63 HydrophobicContact CG2-CD1 4.41Å; I57-L63 HydrophobicContact CG2-CD2 3.38Å; I57-L63 HydrophobicContact CG2-CG 3.67Å; L63-L73 HydrophobicContact CD2-CD1 4.3Å; L63-L73 HydrophobicContact CD2-CD2 4.16Å |
| 64 | G | 86.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | trans | -55.3 | 142.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D41 | D41-G64 PolarHBondContact OD2-N 2.9Š| ||
| 65 | D | 80.8 | Confident | 88.7 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 79% | 0.791 | 37% | 0.365 | S | S | * | . | trans | -100.5 | 6.9 | -172.7 | 59.7 | -20.9 | 0 | 0 | 0 | 113.8 | P67 | D65-P67 VanDerWaalsContact O-CD 3.23Å; D65-P67 WeakPolarHBondContact O-CD 3.4Å | ||
| 66 | D | 81.6 | Confident | 88.8 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | trans | -63.9 | 113.7 | 176.2 | -178.9 | -3.5 | 0 | 0 | 0 | 110.6 | Q68 R69 | D66-Q68 PolarHBondContact O-N 3.21Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.36Å; D66-Q68 PolarHBondContact OD1-N 3.33Å; D66-R69 HydrophobicContact CB-CB 4.13Å; D66-R69 WeakPolarHBondContact O-CB 3.34Å; D66-R69 PolarHBondContact O-N 2.96Å | ||
| 67 | P | 72.8 | Confident | 88.9 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 83% | 0.825 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.4 | -178.6 | 28.7 | -35.8 | 0 | 0 | 0 | 113.6 | D65 R69 | D65-P67 VanDerWaalsContact O-CD 3.23Å; D65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-R69 VanDerWaalsContact C-N 3.3Å |
| 68 | Q | 73.3 | Confident | 88.9 | Confident | 163 Ų | 163 | 61.7 Ų | 61.7 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.1 | 174 | -59.2 | -168.5 | 13.7 | 0 | 0 | 112.6 | D66 K70 | D66-Q68 PolarHBondContact O-N 3.21Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.36Å; D66-Q68 PolarHBondContact OD1-N 3.33Å; Q68-K70 PolarHBondContact O-N 3.09Å |
| 69 | R | 73 | Confident | 89.1 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | trans | -75.4 | 118.6 | -176.4 | -166.3 | 169.2 | 146.6 | -150.4 | -31.2 | 110.8 | G37 D41 D66 P67 | G37-R69 PolarHBondContact O-NH1 2.94Å; D41-R69 IonicContact OD1-CZ 3.34Å; D41-R69 IonicContact OD1-NH1 2.66Å; D41-R69 PolarHBondContact OD1-NH1 3.35Å; D41-R69 IonicContact OD1-NH2 3.34Å; D41-R69 PolarHBondContact OD1-NH2 2.95Å; D41-R69 IonicContact OD2-CZ 3.27Å; D41-R69 VanDerWaalsContact OD2-CZ 3.27Å; D41-R69 IonicContact OD2-NH1 3.04Å; D41-R69 PolarHBondContact OD2-NH1 3.49Å; D41-R69 IonicContact OD2-NH2 2.71Å; D41-R69 PolarHBondContact OD2-NH2 2.74Å; D66-R69 HydrophobicContact CB-CB 4.13Å; D66-R69 WeakPolarHBondContact O-CB 3.34Å; D66-R69 PolarHBondContact O-N 2.96Å; P67-R69 VanDerWaalsContact C-N 3.3Å | ||
| 70 | K | 72.6 | Confident | 89.2 | Confident | 188 Ų | 188 | 53.2 Ų | 53.2 | 82% | 0.817 | 29% | 0.289 | S | S | * | . | trans | -110.5 | -10.8 | -176.2 | -66 | -179.6 | -175.9 | 179.8 | 0 | 113.8 | Q68 P72 | Q68-K70 PolarHBondContact O-N 3.09Å; K70-P72 WeakPolarHBondContact O-CD 3.34Å | ||
| 71 | N | 81.4 | Confident | 89.3 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -71 | 122.2 | -176.3 | -71.4 | -20 | 0 | 0 | 0 | 110.3 | H39 | H39-N71 PolarHBondContact CE1-ND2 2.8Å; H39-N71 PolarHBondContact NE2-ND2 3.26Å; H39-N71 VanDerWaalsContact NE2-ND2 3.17Å; H39-N71 PolarHBondContact O-ND2 2.99Å |
| 72 | P | 88.8 | Confident | 89.5 | Confident | 43 Ų | 43 | 46.5 Ų | 46.5 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 154.6 | 170.5 | -21.8 | 32.9 | 0 | 0 | 0 | 111.1 | Q40 K70 L74 Q92 Q93 | Q40-P72 PolarHBondContact NE2-O 3.03Å; K70-P72 WeakPolarHBondContact O-CD 3.34Å; P72-L74 PolarHBondContact O-N 2.95Å; P72-Q92 HydrophobicContact CB-CB 4.39Å; P72-Q93 HydrophobicContact CB-CG 4.29Å; P72-Q93 PolarHBondContact O-OE1 3.4Å |
| 73 | L | 95.4 | Very high | 89.6 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 125.1 | 172.4 | 176.9 | 57.2 | 0 | 0 | 0 | 110.2 | L34 D41 V43 I57 L63 F91 | L34-L73 HydrophobicContact CD1-CD1 3.97Å; D41-L73 HydrophobicContact CB-CD1 3.76Å; D41-L73 WeakPolarHBondContact O-CD1 3.39Å; V43-L73 HydrophobicContact CB-CD1 4.28Å; V43-L73 HydrophobicContact CB-CD2 4.37Å; V43-L73 HydrophobicContact CG1-CD1 4.31Å; V43-L73 HydrophobicContact CG1-CD2 4.11Å; V43-L73 HydrophobicContact CG1-CG 4.09Å; I57-L73 HydrophobicContact CD1-CD2 3.74Å; I57-L73 HydrophobicContact CG2-CD2 4.28Å; L63-L73 HydrophobicContact CD2-CD1 4.3Å; L63-L73 HydrophobicContact CD2-CD2 4.16Å; L73-F91 HydrophobicContact CD2-CD1 4.23Å; L73-F91 HydrophobicContact CD2-CE1 3.59Å; L73-F91 HydrophobicContact CG-CD1 4.2Å; L73-F91 HydrophobicContact CG-CE1 4Å |
| 74 | L | 98.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 118.4 | 174.7 | 172.7 | 59.8 | 0 | 0 | 0 | 108.9 | Q40 D41 V42 V43 P72 I76 Q93 H143 I151 | Q40-L74 HydrophobicContact CG-CB 4.34Å; D41-L74 PolarHBondContact O-N 3.01Å; V42-L74 CarbonylContact C-O 3.44Å; V42-L74 WeakPolarHBondContact CA-O 3.28Å; V42-L74 HydrophobicContact CG2-CB 4.34Å; V42-L74 HydrophobicContact CG2-CD2 4.21Å; V42-L74 HydrophobicContact CG2-CG 4.5Å; V43-L74 PolarHBondContact N-O 3.12Å; P72-L74 PolarHBondContact O-N 2.95Å; L74-I76 HydrophobicContact CD1-CG1 4.3Å; L74-I76 HydrophobicContact CD2-CD1 3.95Å; L74-I76 HydrophobicContact CD2-CG1 4.17Å; L74-I76 HydrophobicContact CG-CD1 4.2Å; L74-I76 HydrophobicContact CG-CG1 3.88Å; L74-Q93 HydrophobicContact CB-CB 4.43Å; L74-Q93 HydrophobicContact CD1-CB 3.86Å; L74-H143 WeakPolarHBondContact CD1-ND1 3.21Å; L74-I151 HydrophobicContact CD2-CG2 3.97Å |
| 75 | A | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V43 T46 L88 F91 Q93 V94 G95 | V43-A75 HydrophobicContact CG1-CB 3.59Å; V43-A75 CarbonylContact O-C 3.58Å; V43-A75 WeakPolarHBondContact O-CA 3.49Å; T46-A75 HydrophobicContact CG2-CB 4.11Å; A75-L88 HydrophobicContact CB-CD2 3.88Å; A75-F91 HydrophobicContact CB-CB 3.84Å; A75-F91 HydrophobicContact CB-CD1 3.7Å; A75-F91 HydrophobicContact CB-CD2 3.68Å; A75-F91 HydrophobicContact CB-CE1 4.14Å; A75-F91 HydrophobicContact CB-CE2 4.14Å; A75-F91 HydrophobicContact CB-CG 3.44Å; A75-F91 VanDerWaalsContact CB-CG 3.44Å; A75-F91 HydrophobicContact CB-CZ 4.35Å; A75-Q93 PolarHBondContact N-O 3.44Å; A75-V94 CarbonylContact O-C 3.23Å; A75-V94 VanDerWaalsContact O-CA 3.27Å; A75-V94 WeakPolarHBondContact O-CA 3.46Å; A75-G95 PolarHBondContact O-N 3.18Å |
| 76 | I | 98.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.5 | 177.4 | -57.5 | -178.9 | 0 | 0 | 0 | 108.1 | V42 V43 I44 D45 L74 G95 L145 I151 I171 L173 | V42-I76 HydrophobicContact CG1-CD1 3.8Å; V42-I76 HydrophobicContact CG1-CG1 4.04Å; V43-I76 PolarHBondContact O-N 2.84Å; I44-I76 CarbonylContact C-O 3.57Å; I44-I76 WeakPolarHBondContact CA-O 3.34Å; D45-I76 PolarHBondContact N-O 3.42Å; L74-I76 HydrophobicContact CD1-CG1 4.3Å; L74-I76 HydrophobicContact CD2-CD1 3.95Å; L74-I76 HydrophobicContact CD2-CG1 4.17Å; L74-I76 HydrophobicContact CG-CD1 4.2Å; L74-I76 HydrophobicContact CG-CG1 3.88Å; I76-G95 WeakPolarHBondContact CA-O 3.44Å; I76-L145 HydrophobicContact CD1-CD1 4.47Å; I76-L145 HydrophobicContact CG2-CD1 3.76Å; I76-I151 HydrophobicContact CD1-CD1 3.32Å; I76-I151 HydrophobicContact CD1-CG1 3.84Å; I76-I151 HydrophobicContact CD1-CG2 4.08Å; I76-I171 HydrophobicContact CG2-CD1 4.16Å; I76-L173 HydrophobicContact CB-CD1 4.43Å; I76-L173 HydrophobicContact CD1-CD1 4.3Å; I76-L173 HydrophobicContact CG2-CD1 4.07Å |
| 77 | A | 98.7 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -89.5 | 131.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D45 H79 L88 G95 V96 | D45-A77 WeakPolarHBondContact OD1-CA 3.36Å; A77-H79 PolarHBondContact O-N 3.05Å; A77-L88 HydrophobicContact CB-CD1 3.73Å; A77-L88 HydrophobicContact CB-CD2 4.17Å; A77-L88 HydrophobicContact CB-CG 4.36Å; A77-G95 PolarHBondContact N-O 3.44Å; A77-V96 HydrophobicContact CB-CG2 4.41Å | ||
| 78 | T | 98.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -66.6 | -27.5 | 172.5 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | I44 D45 S170 I171 | I44-T78 HydrophobicContact CG2-CG2 3.68Å; D45-T78 PolarHBondContact OD1-N 3.36Å; D45-T78 PolarHBondContact OD1-OG1 3.43Å; D45-T78 WeakPolarHBondContact OD2-CG2 3.45Å; D45-T78 PolarHBondContact OD2-OG1 2.99Å; T78-S170 CarbonylContact O-C 3.58Å; T78-S170 WeakPolarHBondContact O-CA 3.39Å; T78-I171 WeakPolarHBondContact O-CG1 3.1Å; T78-I171 PolarHBondContact O-N 2.89Å |
| 79 | H | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -167.9 | 175.1 | 170.5 | 63.1 | -62.2 | 0 | 0 | 0 | 111.3 | A77 H81 H84 H166 S167 D185 | A77-H79 PolarHBondContact O-N 3.05Å; H79-H81 AromaticContact CD2-CD2 3.87Å; H79-H81 AromaticContact CD2-CE1 3.71Å; H79-H81 AromaticContact CD2-CG 3.28Å; H79-H81 AromaticContact CD2-ND1 3.18Å; H79-H81 PolarHBondContact CD2-ND1 3.31Å; H79-H81 WeakPolarHBondContact NE2-CB 3.5Å; H79-H81 AromaticContact NE2-CE1 3.87Å; H79-H81 AromaticContact NE2-CG 3.31Å; H79-H81 VanDerWaalsContact NE2-CG 3.31Å; H79-H81 AromaticContact NE2-ND1 2.99Å; H79-H81 PolarHBondContact NE2-ND1 3Å; H79-H81 PolarHBondContact O-N 2.82Å; H79-H84 AromaticContact CE1-CD2 3.16Å; H79-H84 PolarHBondContact CE1-CD2 2.8Å; H79-H84 AromaticContact CE1-CE1 3.78Å; H79-H84 AromaticContact CE1-CG 3.41Å; H79-H84 VanDerWaalsContact CE1-CG 3.41Å; H79-H84 AromaticContact CE1-ND1 3.77Å; H79-H84 AromaticContact CE1-NE2 3.45Å; H79-H84 PolarHBondContact CE1-NE2 3.15Å; H79-H84 AromaticContact ND1-CG 3.88Å; H79-H84 AromaticContact NE2-CD2 3.66Å; H79-H166 AromaticContact CD2-CD2 3.77Å; H79-H166 AromaticContact CD2-NE2 3.96Å; H79-H166 AromaticContact NE2-CD2 3.59Å; H79-H166 AromaticContact NE2-NE2 3.43Å; H79-H166 PolarHBondContact NE2-NE2 3.42Å; H79-S167 VanDerWaalsContact CB-OG 3.26Å; H79-S167 WeakPolarHBondContact CB-OG 3.28Å; H79-D185 IonicContact CE1-OD2 3.72Å; H79-D185 IonicContact NE2-OD2 3.52Å |
| 80 | A | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -82.2 | -2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S85 E100 A103 L104 T112 | A80-S85 PolarHBondContact O-OG 3.08Å; A80-E100 HydrophobicContact CB-CB 4.22Å; A80-E100 HydrophobicContact CB-CG 4.46Å; A80-E100 WeakPolarHBondContact CB-OE2 3.45Å; A80-A103 HydrophobicContact CB-CB 3.67Å; A80-L104 HydrophobicContact CB-CD2 3.75Å; A80-L104 HydrophobicContact CB-CG 4.08Å; A80-T112 WeakPolarHBondContact O-CB 3.42Å; A80-T112 WeakPolarHBondContact O-CG2 3.43Å |
| 81 | H | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | trans | -62.1 | 150.3 | -177.2 | -63.9 | 163.1 | 0 | 0 | 0 | 112.7 | H79 D83 H84 S85 T112 V113 H166 L196 | H79-H81 AromaticContact CD2-CD2 3.87Å; H79-H81 AromaticContact CD2-CE1 3.71Å; H79-H81 AromaticContact CD2-CG 3.28Å; H79-H81 AromaticContact CD2-ND1 3.18Å; H79-H81 PolarHBondContact CD2-ND1 3.31Å; H79-H81 WeakPolarHBondContact NE2-CB 3.5Å; H79-H81 AromaticContact NE2-CE1 3.87Å; H79-H81 AromaticContact NE2-CG 3.31Å; H79-H81 VanDerWaalsContact NE2-CG 3.31Å; H79-H81 AromaticContact NE2-ND1 2.99Å; H79-H81 PolarHBondContact NE2-ND1 3Å; H79-H81 PolarHBondContact O-N 2.82Å; H81-D83 VanDerWaalsContact C-N 3.26Å; H81-D83 PolarHBondContact O-N 2.75Å; H81-H84 PolarHBondContact O-N 2.83Å; H81-S85 PolarHBondContact O-N 3.39Å; H81-S85 PolarHBondContact O-OG 2.76Å; H81-T112 WeakPolarHBondContact CA-O 3.4Å; H81-V113 VanDerWaalsContact CD2-CG2 3.41Å; H81-V113 WeakPolarHBondContact CD2-CG2 3.22Å; H81-V113 VanDerWaalsContact NE2-CG2 3.28Å; H81-V113 WeakPolarHBondContact NE2-CG2 3.4Å; H81-H166 AromaticContact CE1-CD2 3.55Å; H81-H166 AromaticContact CE1-CE1 3.82Å; H81-H166 AromaticContact CE1-NE2 3.03Å; H81-H166 PolarHBondContact CE1-NE2 2.98Å; H81-H166 AromaticContact ND1-CD2 3.73Å; H81-H166 AromaticContact ND1-CE1 3.91Å; H81-H166 AromaticContact ND1-NE2 2.95Å; H81-H166 PolarHBondContact ND1-NE2 3.46Å; H81-L196 VanDerWaalsContact CE1-CD1 3.43Å; H81-L196 WeakPolarHBondContact CE1-CD1 3.45Å | ||
| 82 | F | 97.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.022 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.8 | -27.5 | -162.7 | 74 | -77.2 | 0 | 0 | 0 | 116.3 | F24 N28 L48 G86 T112 V113 T114 W115 Y134 V136 | F24-F82 HydrophobicContact CZ-CE2 4.47Å; N28-F82 HydrophobicContact CB-CZ 4.17Å; L48-F82 HydrophobicContact CD2-CD2 3.52Å; L48-F82 HydrophobicContact CD2-CE2 3.59Å; F82-G86 WeakPolarHBondContact O-CA 3.23Å; F82-G86 PolarHBondContact O-N 2.93Å; F82-T112 WeakPolarHBondContact CB-O 3.49Å; F82-T112 PolarHBondContact N-O 3.02Å; F82-V113 WeakPolarHBondContact CD1-O 3.42Å; F82-V113 VanDerWaalsContact CE1-O 3.31Å; F82-V113 WeakPolarHBondContact CE1-O 3.49Å; F82-T114 HydrophobicContact CB-CG2 4.2Å; F82-T114 WeakPolarHBondContact CB-OG1 3.49Å; F82-T114 HydrophobicContact CG-CG2 4.44Å; F82-W115 WeakPolarHBondContact CE2-O 3.27Å; F82-W115 WeakPolarHBondContact CZ-O 3.44Å; F82-Y134 HydrophobicContact CB-CE1 4.03Å; F82-Y134 AromaticContact CD2-CE1 3.76Å; F82-Y134 HydrophobicContact CD2-CE1 3.76Å; F82-Y134 HydrophobicContact CG-CE1 4.32Å; F82-Y134 PolarHBondContact O-OH 3.42Å; F82-V136 VanDerWaalsContact CA-CG2 3.49Å; F82-V136 HydrophobicContact CB-CG2 3.56Å |
| 83 | D | 97.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.032 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -83 | -15.6 | 177.7 | 48.4 | -22.8 | 0 | 0 | 0 | 112.5 | F24 N28 A30 G47 L48 H81 H227 | F24-D83 HydrophobicContact CE1-CB 4.49Å; N28-D83 VanDerWaalsContact O-CB 3.32Å; N28-D83 WeakPolarHBondContact O-CB 3.04Å; A30-D83 HydrophobicContact CB-CB 4.26Å; A30-D83 WeakPolarHBondContact CB-O 3.43Å; G47-D83 CarbonylContact C-O 3.42Å; G47-D83 VanDerWaalsContact C-O 3.26Å; G47-D83 WeakPolarHBondContact CA-O 3.21Å; G47-D83 PolarHBondContact N-O 3.36Å; L48-D83 HydrophobicContact CD2-CB 4.47Å; H81-D83 VanDerWaalsContact C-N 3.26Å; H81-D83 PolarHBondContact O-N 2.75Å; D83-H227 IonicContact OD2-CE1 3.01Å; D83-H227 PolarHBondContact OD2-CE1 2.83Å; D83-H227 IonicContact OD2-NE2 3.47Å |
| 84 | H | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -102.3 | -38.6 | 174.2 | -64.1 | -94.6 | 0 | 0 | 0 | 111.8 | D45 T46 H79 H81 D185 H227 | D45-H84 HydrophobicContact CB-CB 4.11Å; D45-H84 IonicContact OD1-ND1 3.02Å; D45-H84 IonicContact OD2-CE1 3.64Å; D45-H84 IonicContact OD2-CG 2.67Å; D45-H84 IonicContact OD2-ND1 2.67Å; D45-H84 PolarHBondContact OD2-ND1 3.16Å; T46-H84 PolarHBondContact N-O 3.21Å; T46-H84 PolarHBondContact OG1-O 2.86Å; H79-H84 AromaticContact CE1-CD2 3.16Å; H79-H84 PolarHBondContact CE1-CD2 2.8Å; H79-H84 AromaticContact CE1-CE1 3.78Å; H79-H84 AromaticContact CE1-CG 3.41Å; H79-H84 VanDerWaalsContact CE1-CG 3.41Å; H79-H84 AromaticContact CE1-ND1 3.77Å; H79-H84 AromaticContact CE1-NE2 3.45Å; H79-H84 PolarHBondContact CE1-NE2 3.15Å; H79-H84 AromaticContact ND1-CG 3.88Å; H79-H84 AromaticContact NE2-CD2 3.66Å; H81-H84 PolarHBondContact O-N 2.83Å; H84-D185 IonicContact CE1-OD1 3.73Å; H84-D185 PolarHBondContact CE1-OD1 3.14Å; H84-D185 VanDerWaalsContact CE1-OD1 3.31Å; H84-D185 IonicContact NE2-OD1 2.78Å; H84-D185 PolarHBondContact NE2-OD1 2.77Å; H84-D185 IonicContact NE2-OD2 2.84Å; H84-H227 AromaticContact NE2-CE1 3.77Å; H84-H227 AromaticContact NE2-NE2 3.47Å; H84-H227 PolarHBondContact NE2-NE2 3.44Å |
| 85 | S | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -101 | -9.7 | -170.6 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | A80 H81 G87 L88 | A80-S85 PolarHBondContact O-OG 3.08Å; H81-S85 PolarHBondContact O-N 3.39Å; H81-S85 PolarHBondContact O-OG 2.76Å; S85-G87 PolarHBondContact O-N 2.88Å; S85-G87 VanDerWaalsContact O-N 3.13Å; S85-L88 WeakPolarHBondContact O-CB 3.49Å; S85-L88 WeakPolarHBondContact O-CG 3.45Å; S85-L88 PolarHBondContact O-N 3.46Å |
| 86 | G | 97.7 | Very high | 98 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G47 F82 H89 Y134 | G47-G86 VanDerWaalsContact O-CA 3.3Å; G47-G86 WeakPolarHBondContact O-CA 3.37Å; G47-G86 PolarHBondContact O-N 3.31Å; G47-G86 VanDerWaalsContact O-N 3.11Å; F82-G86 WeakPolarHBondContact O-CA 3.23Å; F82-G86 PolarHBondContact O-N 2.93Å; G86-H89 PolarHBondContact O-CE1 2.84Å; G86-H89 PolarHBondContact O-ND1 3.23Å; G86-Y134 WeakPolarHBondContact CA-OH 3.4Å |
| 87 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T46 G47 G49 S85 H89 Q90 F91 | T46-G87 VanDerWaalsContact OG1-CA 3.27Å; T46-G87 WeakPolarHBondContact OG1-CA 3.37Å; T46-G87 PolarHBondContact OG1-N 2.87Å; G47-G87 PolarHBondContact O-N 2.87Å; G49-G87 VanDerWaalsContact CA-CA 3.48Å; S85-G87 PolarHBondContact O-N 2.88Å; S85-G87 VanDerWaalsContact O-N 3.13Å; G87-H89 PolarHBondContact O-N 3.17Å; G87-H89 VanDerWaalsContact O-N 3.12Å; G87-Q90 VanDerWaalsContact O-CB 3.27Å; G87-Q90 WeakPolarHBondContact O-CB 3.26Å; G87-Q90 VanDerWaalsContact O-CG 3.28Å; G87-Q90 WeakPolarHBondContact O-CG 3.45Å; G87-Q90 PolarHBondContact O-N 3.09Å; G87-F91 WeakPolarHBondContact O-CD2 3.31Å; G87-F91 WeakPolarHBondContact O-CE2 3.25Å |
| 88 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -57.6 | -33.7 | -173.5 | -69.8 | 176.7 | 0 | 0 | 0 | 113.8 | T46 A75 A77 S85 Q90 F91 V94 L104 V139 | T46-L88 HydrophobicContact CG2-CD2 3.76Å; T46-L88 HydrophobicContact CG2-CG 4.39Å; T46-L88 PolarHBondContact OG1-N 2.93Å; A75-L88 HydrophobicContact CB-CD2 3.88Å; A77-L88 HydrophobicContact CB-CD1 3.73Å; A77-L88 HydrophobicContact CB-CD2 4.17Å; A77-L88 HydrophobicContact CB-CG 4.36Å; S85-L88 WeakPolarHBondContact O-CB 3.49Å; S85-L88 WeakPolarHBondContact O-CG 3.45Å; S85-L88 PolarHBondContact O-N 3.46Å; L88-Q90 PolarHBondContact O-N 2.81Å; L88-F91 PolarHBondContact O-N 2.84Å; L88-V94 HydrophobicContact CB-CG1 4.33Å; L88-V94 HydrophobicContact CB-CG2 4.32Å; L88-V94 HydrophobicContact CD1-CG1 4.04Å; L88-V94 HydrophobicContact CD2-CG1 4.06Å; L88-V94 HydrophobicContact CG-CG1 4.39Å; L88-V94 WeakPolarHBondContact O-CG2 3.42Å; L88-L104 HydrophobicContact CD1-CD1 3.54Å; L88-L104 HydrophobicContact CD1-CD2 4Å; L88-L104 HydrophobicContact CD1-CG 4.44Å; L88-V139 HydrophobicContact CB-CG1 3.99Å; L88-V139 HydrophobicContact CD1-CG1 4.26Å |
| 89 | H | 97.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 20.5 Ų | 20.5 | 27% | 0.269 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -59.5 | -11.4 | 178 | 74.5 | -88.2 | 0 | 0 | 0 | 114.5 | G86 G87 K137 | G86-H89 PolarHBondContact O-CE1 2.84Å; G86-H89 PolarHBondContact O-ND1 3.23Å; G87-H89 PolarHBondContact O-N 3.17Å; G87-H89 VanDerWaalsContact O-N 3.12Å; H89-K137 HydrophobicContact CB-CB 3.92Å; H89-K137 HydrophobicContact CB-CD 4.46Å; H89-K137 PolarHBondContact NE2-NZ 2.8Å |
| 90 | Q | 98 | Very high | 97.9 | Very high | 47 Ų | 47 | 20.6 Ų | 20.6 | 22% | 0.22 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -88.6 | -7.7 | 179.7 | -54.5 | 175.6 | -1.5 | 0 | 0 | 112.6 | G49 R51 P54 G87 L88 | G49-Q90 PolarHBondContact O-NE2 2.77Å; R51-Q90 PolarHBondContact O-NE2 3.2Å; R51-Q90 PolarHBondContact O-OE1 2.7Å; P54-Q90 VanDerWaalsContact CD-OE1 3.24Å; P54-Q90 HydrophobicContact CG-CB 3.92Å; G87-Q90 VanDerWaalsContact O-CB 3.27Å; G87-Q90 WeakPolarHBondContact O-CB 3.26Å; G87-Q90 VanDerWaalsContact O-CG 3.28Å; G87-Q90 WeakPolarHBondContact O-CG 3.45Å; G87-Q90 PolarHBondContact O-N 3.09Å; L88-Q90 PolarHBondContact O-N 2.81Å |
| 91 | F | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | trans | -110.3 | 144.2 | -172.7 | -62.5 | -94.9 | 0 | 0 | 0 | 111.7 | V43 T46 L53 P54 L73 A75 G87 L88 V94 | V43-F91 HydrophobicContact CG1-CD1 4.27Å; V43-F91 HydrophobicContact CG1-CE1 3.59Å; V43-F91 HydrophobicContact CG1-CZ 3.81Å; T46-F91 HydrophobicContact CG2-CD2 4.23Å; T46-F91 HydrophobicContact CG2-CE2 3.63Å; T46-F91 HydrophobicContact CG2-CZ 4.21Å; L53-F91 HydrophobicContact CB-CZ 4.17Å; L53-F91 HydrophobicContact CD2-CE2 4.37Å; L53-F91 HydrophobicContact CD2-CZ 3.89Å; L53-F91 HydrophobicContact CG-CZ 4.04Å; P54-F91 HydrophobicContact CG-CD1 4.08Å; P54-F91 HydrophobicContact CG-CD2 4.48Å; P54-F91 HydrophobicContact CG-CE1 3.73Å; P54-F91 HydrophobicContact CG-CE2 4.15Å; P54-F91 HydrophobicContact CG-CG 4.45Å; P54-F91 HydrophobicContact CG-CZ 3.76Å; L73-F91 HydrophobicContact CD2-CD1 4.23Å; L73-F91 HydrophobicContact CD2-CE1 3.59Å; L73-F91 HydrophobicContact CG-CD1 4.2Å; L73-F91 HydrophobicContact CG-CE1 4Å; A75-F91 HydrophobicContact CB-CB 3.84Å; A75-F91 HydrophobicContact CB-CD1 3.7Å; A75-F91 HydrophobicContact CB-CD2 3.68Å; A75-F91 HydrophobicContact CB-CE1 4.14Å; A75-F91 HydrophobicContact CB-CE2 4.14Å; A75-F91 HydrophobicContact CB-CG 3.44Å; A75-F91 VanDerWaalsContact CB-CG 3.44Å; A75-F91 HydrophobicContact CB-CZ 4.35Å; G87-F91 WeakPolarHBondContact O-CD2 3.31Å; G87-F91 WeakPolarHBondContact O-CE2 3.25Å; L88-F91 PolarHBondContact O-N 2.84Å; F91-V94 HydrophobicContact CB-CG2 4.09Å | ||
| 92 | Q | 96.3 | Very high | 97.6 | Very high | 156 Ų | 156 | 27 Ų | 27 | 73% | 0.729 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -77 | -30.5 | 175.7 | -68.2 | -177 | -7.3 | 0 | 0 | 112.4 | P72 | P72-Q92 HydrophobicContact CB-CB 4.39Š|
| 93 | Q | 97.8 | Very high | 97.4 | Very high | 40 Ų | 40 | 27 Ų | 27 | 19% | 0.187 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.2 | 179.1 | -69.2 | -174.7 | -12.8 | 0 | 0 | 108.9 | P72 L74 A75 T142 | P72-Q93 HydrophobicContact CB-CG 4.29Å; P72-Q93 PolarHBondContact O-OE1 3.4Å; L74-Q93 HydrophobicContact CB-CB 4.43Å; L74-Q93 HydrophobicContact CD1-CB 3.86Å; A75-Q93 PolarHBondContact N-O 3.44Å; Q93-T142 WeakPolarHBondContact CA-OG1 3.39Å |
| 94 | V | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.7 | -176.7 | 172 | 0 | 0 | 0 | 0 | 109.7 | A75 L88 F91 V139 P141 T142 H143 | A75-V94 CarbonylContact O-C 3.23Å; A75-V94 VanDerWaalsContact O-CA 3.27Å; A75-V94 WeakPolarHBondContact O-CA 3.46Å; L88-V94 HydrophobicContact CB-CG1 4.33Å; L88-V94 HydrophobicContact CB-CG2 4.32Å; L88-V94 HydrophobicContact CD1-CG1 4.04Å; L88-V94 HydrophobicContact CD2-CG1 4.06Å; L88-V94 HydrophobicContact CG-CG1 4.39Å; L88-V94 WeakPolarHBondContact O-CG2 3.42Å; F91-V94 HydrophobicContact CB-CG2 4.09Å; V94-V139 HydrophobicContact CB-CG2 4.48Å; V94-V139 HydrophobicContact CG1-CG1 4.46Å; V94-V139 HydrophobicContact CG2-CG2 4.03Å; V94-P141 HydrophobicContact CG1-CB 4.41Å; V94-T142 PolarHBondContact N-OG1 2.73Å; V94-T142 PolarHBondContact O-N 3.01Å; V94-T142 PolarHBondContact O-OG1 2.99Å; V94-H143 PolarHBondContact O-N 2.95Å |
| 95 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A75 I76 A77 H143 | A75-G95 PolarHBondContact O-N 3.18Å; I76-G95 WeakPolarHBondContact CA-O 3.44Å; A77-G95 PolarHBondContact N-O 3.44Å; G95-H143 VanDerWaalsContact CA-O 3.32Å; G95-H143 WeakPolarHBondContact CA-O 3.39Å |
| 96 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 155.1 | 172 | 77.6 | 0 | 0 | 0 | 0 | 109.6 | A77 E100 V101 L104 P141 H143 L145 | A77-V96 HydrophobicContact CB-CG2 4.41Å; V96-E100 HydrophobicContact CG2-CB 3.54Å; V96-E100 HydrophobicContact CG2-CG 4.24Å; V96-V101 HydrophobicContact CG1-CG2 3.88Å; V96-L104 HydrophobicContact CB-CD1 3.79Å; V96-L104 HydrophobicContact CG1-CD1 3.94Å; V96-L104 HydrophobicContact CG2-CD1 3.67Å; V96-P141 HydrophobicContact CG1-CB 3.82Å; V96-P141 HydrophobicContact CG1-CG 3.53Å; V96-H143 PolarHBondContact N-O 3.18Å; V96-H143 VanDerWaalsContact N-O 3.15Å; V96-L145 PolarHBondContact O-N 3.41Å |
| 97 | H | 98.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.4 | 170.8 | -170.1 | -102.1 | 0 | 0 | 0 | 112.2 | A99 E100 L145 H162 G169 I171 | H97-A99 WeakPolarHBondContact ND1-CB 3.42Å; H97-A99 PolarHBondContact ND1-N 3.3Å; H97-A99 PolarHBondContact O-N 3.21Å; H97-E100 PolarHBondContact O-N 3.34Å; H97-L145 WeakPolarHBondContact CA-O 3.37Å; H97-L145 PolarHBondContact CD2-O 2.78Å; H97-H162 AromaticContact CE1-CD2 3.44Å; H97-H162 PolarHBondContact CE1-CD2 2.82Å; H97-H162 VanDerWaalsContact CE1-CD2 3.44Å; H97-H162 AromaticContact CE1-CE1 3.69Å; H97-H162 AromaticContact CE1-CG 3.67Å; H97-H162 AromaticContact CE1-ND1 3.84Å; H97-H162 AromaticContact CE1-NE2 3.46Å; H97-H162 PolarHBondContact CE1-NE2 3.11Å; H97-H162 AromaticContact ND1-CD2 3.82Å; H97-H162 AromaticContact ND1-NE2 3.88Å; H97-H162 AromaticContact NE2-CD2 3.56Å; H97-H162 AromaticContact NE2-CG 3.44Å; H97-H162 AromaticContact NE2-ND1 3.86Å; H97-G169 WeakPolarHBondContact CB-O 3.45Å; H97-G169 WeakPolarHBondContact ND1-CA 3.46Å; H97-I171 HydrophobicContact CB-CG2 3.71Å |
| 98 | S | 98.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -56.6 | -30.3 | -175.4 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | E100 V101 I144 L145 Q146 | S98-E100 PolarHBondContact O-N 2.94Å; S98-V101 PolarHBondContact O-N 3.17Å; S98-I144 VanDerWaalsContact CB-CG2 3.47Å; S98-L145 PolarHBondContact N-O 2.91Å; S98-Q146 PolarHBondContact OG-NE2 3.46Å; S98-Q146 PolarHBondContact OG-OE1 2.95Å |
| 99 | A | 97.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -68.6 | -17.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H97 R168 | H97-A99 WeakPolarHBondContact ND1-CB 3.42Å; H97-A99 PolarHBondContact ND1-N 3.3Å; H97-A99 PolarHBondContact O-N 3.21Å; A99-R168 HydrophobicContact CB-CB 4.39Å; A99-R168 HydrophobicContact CB-CG 3.99Å; A99-R168 WeakPolarHBondContact O-CD 3.09Å |
| 100 | E | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -101.4 | -4.8 | -178.5 | -64.1 | -60.4 | 151.2 | 0 | 0 | 113.4 | A80 V96 H97 S98 D102 A103 L104 S167 R168 G169 | A80-E100 HydrophobicContact CB-CB 4.22Å; A80-E100 HydrophobicContact CB-CG 4.46Å; A80-E100 WeakPolarHBondContact CB-OE2 3.45Å; V96-E100 HydrophobicContact CG2-CB 3.54Å; V96-E100 HydrophobicContact CG2-CG 4.24Å; H97-E100 PolarHBondContact O-N 3.34Å; S98-E100 PolarHBondContact O-N 2.94Å; E100-D102 VanDerWaalsContact C-N 3.33Å; E100-D102 PolarHBondContact O-N 3.29Å; E100-A103 WeakPolarHBondContact O-CB 3.34Å; E100-A103 PolarHBondContact O-N 3.06Å; E100-A103 VanDerWaalsContact O-N 3.14Å; E100-L104 PolarHBondContact O-N 3.48Å; E100-L104 VanDerWaalsContact O-N 3.15Å; E100-S167 WeakPolarHBondContact OE1-CB 3.36Å; E100-S167 PolarHBondContact OE1-OG 3.31Å; E100-S167 VanDerWaalsContact OE1-OG 3.08Å; E100-R168 VanDerWaalsContact OE1-CG 3.22Å; E100-R168 WeakPolarHBondContact OE1-CG 3.5Å; E100-R168 PolarHBondContact OE1-N 3.2Å; E100-G169 WeakPolarHBondContact OE1-CA 3.16Å; E100-G169 PolarHBondContact OE1-N 3.46Å |
| 101 | V | 96.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 16% | 0.158 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -46.3 | -174.1 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | V96 S98 A103 L104 A105 P141 I144 | V96-V101 HydrophobicContact CG1-CG2 3.88Å; S98-V101 PolarHBondContact O-N 3.17Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 2.9Å; V101-L104 PolarHBondContact O-N 2.92Å; V101-A105 WeakPolarHBondContact O-CB 3.41Å; V101-A105 PolarHBondContact O-N 3.49Å; V101-P141 HydrophobicContact CG1-CG 4.44Å; V101-P141 HydrophobicContact CG2-CG 4.34Å; V101-I144 HydrophobicContact CG2-CG1 4.24Å; V101-I144 HydrophobicContact CG2-CG2 4.23Å |
| 102 | D | 93.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 31.6 Ų | 31.6 | 61% | 0.61 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.9 | -35.5 | -178.8 | -71.5 | -23.7 | 0 | 0 | 0 | 112.5 | E100 N106 | E100-D102 VanDerWaalsContact C-N 3.33Å; E100-D102 PolarHBondContact O-N 3.29Å; D102-N106 WeakPolarHBondContact O-CB 3.28Å; D102-N106 PolarHBondContact O-N 3Å; D102-N106 VanDerWaalsContact O-N 3.16Å; D102-N106 PolarHBondContact O-ND2 2.86Å |
| 103 | A | 92.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A80 E100 V101 G107 E111 | A80-A103 HydrophobicContact CB-CB 3.67Å; E100-A103 WeakPolarHBondContact O-CB 3.34Å; E100-A103 PolarHBondContact O-N 3.06Å; E100-A103 VanDerWaalsContact O-N 3.14Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 2.9Å; A103-G107 PolarHBondContact O-N 3.02Å; A103-E111 HydrophobicContact CB-CB 3.65Å; A103-E111 HydrophobicContact CB-CG 4.47Å |
| 104 | L | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 178 | -67.5 | -170.4 | 0 | 0 | 0 | 113.3 | A80 L88 V96 E100 V101 N106 G107 A138 V139 P141 | A80-L104 HydrophobicContact CB-CD2 3.75Å; A80-L104 HydrophobicContact CB-CG 4.08Å; L88-L104 HydrophobicContact CD1-CD1 3.54Å; L88-L104 HydrophobicContact CD1-CD2 4Å; L88-L104 HydrophobicContact CD1-CG 4.44Å; V96-L104 HydrophobicContact CB-CD1 3.79Å; V96-L104 HydrophobicContact CG1-CD1 3.94Å; V96-L104 HydrophobicContact CG2-CD1 3.67Å; E100-L104 PolarHBondContact O-N 3.48Å; E100-L104 VanDerWaalsContact O-N 3.15Å; V101-L104 PolarHBondContact O-N 2.92Å; L104-N106 PolarHBondContact O-N 3.06Å; L104-G107 PolarHBondContact O-N 3.48Å; L104-A138 VanDerWaalsContact O-CA 3.29Å; L104-A138 WeakPolarHBondContact O-CA 3.25Å; L104-V139 CarbonylContact C-O 3.6Å; L104-V139 HydrophobicContact CB-CG1 4.07Å; L104-V139 HydrophobicContact CD1-CG1 4.39Å; L104-V139 PolarHBondContact O-N 3.46Å; L104-P141 HydrophobicContact CD1-CG 4.4Å |
| 105 | A | 93.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 16% | 0.157 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -31 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V101 A138 V139 | V101-A105 WeakPolarHBondContact O-CB 3.41Å; V101-A105 PolarHBondContact O-N 3.49Å; A105-A138 VanDerWaalsContact O-CB 3.29Å; A105-A138 WeakPolarHBondContact O-CB 3.3Å; A105-V139 WeakPolarHBondContact CA-O 3.25Å; A105-V139 PolarHBondContact N-O 3.49Å |
| 106 | N | 88.6 | Confident | 91.9 | Very high | 91 Ų | 91 | 27.7 Ų | 27.7 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -95.4 | -24.2 | -179.7 | -70.7 | -61.3 | 0 | 0 | 0 | 113.7 | D102 L104 D108 | D102-N106 WeakPolarHBondContact O-CB 3.28Å; D102-N106 PolarHBondContact O-N 3Å; D102-N106 VanDerWaalsContact O-N 3.16Å; D102-N106 PolarHBondContact O-ND2 2.86Å; L104-N106 PolarHBondContact O-N 3.06Å; N106-D108 HydrophobicContact CB-CB 4.28Å; N106-D108 PolarHBondContact O-N 3.37Å |
| 107 | G | 79.8 | Confident | 91.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A103 L104 N109 V136 | A103-G107 PolarHBondContact O-N 3.02Å; L104-G107 PolarHBondContact O-N 3.48Å; G107-N109 PolarHBondContact O-N 2.72Å; G107-V136 WeakPolarHBondContact CA-O 3.31Å |
| 108 | D | 79.9 | Confident | 91.4 | Very high | 37 Ų | 37 | 33 Ų | 33 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | trans | -74.7 | 116.5 | -175.8 | -176.2 | -29.8 | 0 | 0 | 0 | 110.1 | N106 F110 E111 T112 N271 | N106-D108 HydrophobicContact CB-CB 4.28Å; N106-D108 PolarHBondContact O-N 3.37Å; D108-F110 PolarHBondContact O-N 3.42Å; D108-F110 VanDerWaalsContact OD1-CB 3.27Å; D108-F110 WeakPolarHBondContact OD1-CB 3.33Å; D108-F110 PolarHBondContact OD1-N 2.85Å; D108-E111 HydrophobicContact CB-CB 4.32Å; D108-E111 HydrophobicContact CB-CG 4.37Å; D108-E111 PolarHBondContact O-N 3.28Å; D108-T112 PolarHBondContact O-N 3.07Å; D108-T112 PolarHBondContact O-OG1 3.27Å; D108-N271 VanDerWaalsContact OD1-CG 3.3Å; D108-N271 PolarHBondContact OD1-ND2 3.04Å; D108-N271 PolarHBondContact OD1-OD1 2.85Å | ||
| 109 | N | 84.3 | Confident | 91.3 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.2 | -179.7 | -80 | -6.7 | 0 | 0 | 0 | 114.3 | G107 T112 V113 T114 R135 S270 N271 | G107-N109 PolarHBondContact O-N 2.72Å; N109-T112 WeakPolarHBondContact CA-OG1 3.3Å; N109-V113 WeakPolarHBondContact O-CA 3.45Å; N109-V113 PolarHBondContact O-N 3.44Å; N109-V113 VanDerWaalsContact O-N 3.08Å; N109-T114 PolarHBondContact O-N 3.21Å; N109-R135 VanDerWaalsContact CG-CD 3.42Å; N109-R135 WeakPolarHBondContact ND2-CD 3.39Å; N109-R135 PolarHBondContact ND2-NE 2.82Å; N109-R135 WeakPolarHBondContact OD1-CD 3.26Å; N109-S270 PolarHBondContact ND2-O 3.15Å; N109-N271 HydrophobicContact CB-CB 4.03Å; N109-N271 PolarHBondContact N-OD1 3.39Å |
| 110 | F | 88.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 13% | 0.127 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -47.5 | 179.3 | -179.9 | -91.3 | 0 | 0 | 0 | 111.3 | D108 V113 P197 L267 R268 | D108-F110 PolarHBondContact O-N 3.42Å; D108-F110 VanDerWaalsContact OD1-CB 3.27Å; D108-F110 WeakPolarHBondContact OD1-CB 3.33Å; D108-F110 PolarHBondContact OD1-N 2.85Å; F110-V113 PolarHBondContact O-N 3.02Å; F110-P197 HydrophobicContact CD1-CB 4.33Å; F110-P197 HydrophobicContact CD2-CG 4.46Å; F110-P197 HydrophobicContact CE1-CB 3.59Å; F110-P197 HydrophobicContact CE1-CG 4.3Å; F110-P197 HydrophobicContact CE2-CB 4.06Å; F110-P197 HydrophobicContact CE2-CG 4.02Å; F110-P197 HydrophobicContact CZ-CB 3.45Å; F110-P197 VanDerWaalsContact CZ-CB 3.45Å; F110-P197 HydrophobicContact CZ-CG 3.94Å; F110-L267 HydrophobicContact CD2-CB 3.76Å; F110-R268 HydrophobicContact CD2-CG 3.7Å; F110-R268 HydrophobicContact CE2-CG 3.87Å |
| 111 | E | 90 | Very high | 91.2 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -36.1 | 179.7 | -66.1 | -74.4 | 173.1 | 0 | 0 | 111.2 | A103 D108 V113 R168 T198 | A103-E111 HydrophobicContact CB-CB 3.65Å; A103-E111 HydrophobicContact CB-CG 4.47Å; D108-E111 HydrophobicContact CB-CB 4.32Å; D108-E111 HydrophobicContact CB-CG 4.37Å; D108-E111 PolarHBondContact O-N 3.28Å; E111-V113 PolarHBondContact O-N 2.91Å; E111-R168 IonicContact OE1-CZ 3.15Å; E111-R168 IonicContact OE1-NH2 3.23Å; E111-R168 PolarHBondContact OE1-NH2 3.36Å; E111-R168 IonicContact OE2-CZ 3.29Å; E111-R168 IonicContact OE2-NE 3.42Å; E111-R168 IonicContact OE2-NH2 3.31Å; E111-R168 PolarHBondContact OE2-NH2 3.42Å; E111-T198 WeakPolarHBondContact OE2-CG2 3.27Å |
| 112 | T | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 7.1 | 175.3 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | A80 H81 F82 D108 N109 T114 V136 | A80-T112 WeakPolarHBondContact O-CB 3.42Å; A80-T112 WeakPolarHBondContact O-CG2 3.43Å; H81-T112 WeakPolarHBondContact CA-O 3.4Å; F82-T112 WeakPolarHBondContact CB-O 3.49Å; F82-T112 PolarHBondContact N-O 3.02Å; D108-T112 PolarHBondContact O-N 3.07Å; D108-T112 PolarHBondContact O-OG1 3.27Å; N109-T112 WeakPolarHBondContact CA-OG1 3.3Å; T112-T114 PolarHBondContact O-N 3.35Å; T112-T114 VanDerWaalsContact O-N 3.1Å; T112-T114 PolarHBondContact O-OG1 2.94Å; T112-T114 PolarHBondContact OG1-OG1 2.82Å; T112-V136 HydrophobicContact CG2-CB 4.01Å; T112-V136 HydrophobicContact CG2-CG1 4.14Å; T112-V136 HydrophobicContact CG2-CG2 4.09Å |
| 113 | V | 93.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 48.9 | 177 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | H81 F82 N109 F110 E111 W115 L196 L267 | H81-V113 VanDerWaalsContact CD2-CG2 3.41Å; H81-V113 WeakPolarHBondContact CD2-CG2 3.22Å; H81-V113 VanDerWaalsContact NE2-CG2 3.28Å; H81-V113 WeakPolarHBondContact NE2-CG2 3.4Å; F82-V113 WeakPolarHBondContact CD1-O 3.42Å; F82-V113 VanDerWaalsContact CE1-O 3.31Å; F82-V113 WeakPolarHBondContact CE1-O 3.49Å; N109-V113 WeakPolarHBondContact O-CA 3.45Å; N109-V113 PolarHBondContact O-N 3.44Å; N109-V113 VanDerWaalsContact O-N 3.08Å; F110-V113 PolarHBondContact O-N 3.02Å; E111-V113 PolarHBondContact O-N 2.91Å; V113-W115 HydrophobicContact CG1-CD2 4.32Å; V113-W115 HydrophobicContact CG1-CE3 3.91Å; V113-W115 HydrophobicContact CG1-CH2 4.25Å; V113-W115 HydrophobicContact CG1-CZ3 3.88Å; V113-W115 PolarHBondContact O-N 3.16Å; V113-L196 HydrophobicContact CG1-CD1 4.23Å; V113-L196 HydrophobicContact CG1-CD2 3.76Å; V113-L196 HydrophobicContact CG1-CG 4.49Å; V113-L267 HydrophobicContact CG1-CD1 4.25Å; V113-L267 HydrophobicContact CG2-CD1 4.46Å |
| 114 | T | 91 | Very high | 91.2 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | trans | -76.6 | 97.9 | -169.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | F82 N109 T112 Y134 | F82-T114 HydrophobicContact CB-CG2 4.2Å; F82-T114 WeakPolarHBondContact CB-OG1 3.49Å; F82-T114 HydrophobicContact CG-CG2 4.44Å; N109-T114 PolarHBondContact O-N 3.21Å; T112-T114 PolarHBondContact O-N 3.35Å; T112-T114 VanDerWaalsContact O-N 3.1Å; T112-T114 PolarHBondContact O-OG1 2.94Å; T112-T114 PolarHBondContact OG1-OG1 2.82Å; T114-Y134 HydrophobicContact CG2-CD1 3.61Å; T114-Y134 HydrophobicContact CG2-CE1 3.84Å | ||
| 115 | W | 89.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 46 Ų | 46 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | trans | -122.2 | 103.9 | 173.7 | -71.6 | -30.3 | 0 | 0 | 0 | 110.8 | F82 V113 W195 L196 A263 L267 | F82-W115 WeakPolarHBondContact CE2-O 3.27Å; F82-W115 WeakPolarHBondContact CZ-O 3.44Å; V113-W115 HydrophobicContact CG1-CD2 4.32Å; V113-W115 HydrophobicContact CG1-CE3 3.91Å; V113-W115 HydrophobicContact CG1-CH2 4.25Å; V113-W115 HydrophobicContact CG1-CZ3 3.88Å; V113-W115 PolarHBondContact O-N 3.16Å; W115-W195 HydrophobicContact CH2-CH2 4.3Å; W115-W195 AromaticContact CH2-CZ3 3.8Å; W115-W195 HydrophobicContact CH2-CZ3 3.8Å; W115-W195 AromaticContact CZ3-CH2 3.97Å; W115-W195 HydrophobicContact CZ3-CH2 3.97Å; W115-W195 AromaticContact CZ3-CZ3 3.93Å; W115-W195 HydrophobicContact CZ3-CZ3 3.93Å; W115-L196 HydrophobicContact CH2-CD2 3.79Å; W115-L196 HydrophobicContact CZ3-CD2 3.6Å; W115-A263 HydrophobicContact CH2-CB 3.68Å; W115-A263 HydrophobicContact CZ2-CB 3.92Å; W115-L267 HydrophobicContact CD2-CD2 4.31Å; W115-L267 HydrophobicContact CG-CD2 4.33Å; W115-L267 HydrophobicContact CH2-CD1 4.31Å; W115-L267 HydrophobicContact CZ2-CD1 3.68Å; W115-L267 HydrophobicContact CZ2-CD2 4.09Å; W115-L267 HydrophobicContact CZ2-CG 3.6Å | ||
| 116 | L | 93.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | trans | -133.2 | 135 | 175.5 | -171.3 | 65.2 | 0 | 0 | 0 | 109.7 | F24 L48 E120 I121 W129 A131 Y134 | F24-L116 HydrophobicContact CD2-CD1 4.35Å; F24-L116 HydrophobicContact CE2-CD1 3.69Å; F24-L116 HydrophobicContact CZ-CD1 4.17Å; L48-L116 HydrophobicContact CD1-CD1 4.1Å; L48-L116 HydrophobicContact CD1-CD2 4.35Å; L48-L116 HydrophobicContact CD2-CD1 4.45Å; L116-E120 HydrophobicContact CD1-CB 4.43Å; L116-I121 HydrophobicContact CD1-CD1 4.31Å; L116-I121 HydrophobicContact CD1-CG1 4.34Å; L116-W129 HydrophobicContact CD2-CH2 3.71Å; L116-W129 HydrophobicContact CD2-CZ2 3.59Å; L116-W129 HydrophobicContact CG-CH2 4.29Å; L116-A131 HydrophobicContact CB-CB 4.28Å; L116-A131 HydrophobicContact CD2-CB 4.3Å; L116-A131 HydrophobicContact CG-CB 3.96Å; L116-A131 WeakPolarHBondContact O-CB 3.41Å; L116-Y134 HydrophobicContact CB-CD1 4.25Å; L116-Y134 HydrophobicContact CD2-CD1 3.81Å; L116-Y134 HydrophobicContact CD2-CD2 4.33Å; L116-Y134 HydrophobicContact CD2-CE1 4.49Å; L116-Y134 HydrophobicContact CD2-CG 3.71Å | ||
| 117 | S | 93.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | trans | -110.5 | 145.8 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | R119 E120 | S117-R119 PolarHBondContact O-N 3.2Å; S117-R119 VanDerWaalsContact O-N 3.09Å; S117-R119 PolarHBondContact OG-N 3.13Å; S117-E120 VanDerWaalsContact CB-OE2 3.28Å; S117-E120 WeakPolarHBondContact CB-OE2 3.45Å; S117-E120 PolarHBondContact N-OE2 3.03Å; S117-E120 PolarHBondContact O-N 3.32Å | ||
| 118 | D | 93.2 | Very high | 92.1 | Very high | 69 Ų | 69 | 54.4 Ų | 54.4 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.4 | 172.4 | -75.2 | -49.2 | 0 | 0 | 0 | 111.8 | E120 R130 A131 | D118-E120 VanDerWaalsContact C-N 3.33Å; D118-R130 VanDerWaalsContact OD1-CA 3.28Å; D118-R130 WeakPolarHBondContact OD1-CA 3.28Å; D118-A131 VanDerWaalsContact N-CB 3.3Å; D118-A131 PolarHBondContact OD1-N 2.99Å |
| 119 | R | 94.8 | Very high | 92.8 | Very high | 228 Ų | 228 | 53.3 Ų | 53.3 | 86% | 0.86 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.9 | 179 | -63.2 | -176.7 | -179.2 | 176.9 | 0 | 113.7 | S117 | S117-R119 PolarHBondContact O-N 3.2Å; S117-R119 VanDerWaalsContact O-N 3.09Å; S117-R119 PolarHBondContact OG-N 3.13Å |
| 120 | E | 96.1 | Very high | 93.3 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -16.4 | -178.6 | -64.9 | 171.1 | 112.8 | 0 | 0 | 111.7 | F24 E25 S26 L116 S117 D118 | F24-E120 CarbonylContact C-O 3.52Å; F24-E120 WeakPolarHBondContact CA-O 3.44Å; F24-E120 HydrophobicContact CD2-CB 4.09Å; F24-E120 HydrophobicContact CE2-CB 3.91Å; E25-E120 PolarHBondContact N-O 3Å; S26-E120 VanDerWaalsContact CB-OE1 3.22Å; S26-E120 WeakPolarHBondContact CB-OE1 3.42Å; S26-E120 PolarHBondContact OG-OE1 3.36Å; L116-E120 HydrophobicContact CD1-CB 4.43Å; S117-E120 VanDerWaalsContact CB-OE2 3.28Å; S117-E120 WeakPolarHBondContact CB-OE2 3.45Å; S117-E120 PolarHBondContact N-OE2 3.03Å; S117-E120 PolarHBondContact O-N 3.32Å; D118-E120 VanDerWaalsContact C-N 3.33Å |
| 121 | I | 96.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 93.3 | 175.7 | -59 | -53.6 | 0 | 0 | 0 | 109.5 | W6 F23 F24 L48 L50 L116 Q123 W129 | W6-I121 HydrophobicContact CH2-CD1 4.41Å; W6-I121 HydrophobicContact CH2-CG2 4.02Å; F23-I121 CarbonylContact O-C 3.56Å; F23-I121 VanDerWaalsContact O-CA 3.31Å; F23-I121 WeakPolarHBondContact O-CA 3.08Å; F24-I121 HydrophobicContact CB-CD1 3.98Å; F24-I121 HydrophobicContact CD2-CD1 3.72Å; F24-I121 HydrophobicContact CG-CD1 4.09Å; L48-I121 HydrophobicContact CD1-CD1 3.78Å; L50-I121 HydrophobicContact CD1-CD1 4.18Å; L116-I121 HydrophobicContact CD1-CD1 4.31Å; L116-I121 HydrophobicContact CD1-CG1 4.34Å; I121-Q123 VanDerWaalsContact CG2-O 3.25Å; I121-Q123 WeakPolarHBondContact CG2-O 3.41Å; I121-Q123 PolarHBondContact O-N 3.23Å; I121-W129 HydrophobicContact CB-CH2 3.9Å; I121-W129 HydrophobicContact CB-CZ3 3.66Å; I121-W129 HydrophobicContact CG1-CH2 3.32Å; I121-W129 HydrophobicContact CG1-CZ2 4.14Å; I121-W129 HydrophobicContact CG1-CZ3 3.67Å; I121-W129 HydrophobicContact CG2-CE3 4.34Å; I121-W129 HydrophobicContact CG2-CH2 4.34Å; I121-W129 HydrophobicContact CG2-CZ3 3.94Å |
| 122 | V | 95.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -70.6 | -19.7 | -174.2 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | F23 E25 | F23-V122 HydrophobicContact CB-CG2 4.18Å; F23-V122 HydrophobicContact CD1-CG2 4.12Å; F23-V122 PolarHBondContact O-N 3.39Å; E25-V122 HydrophobicContact CB-CG1 3.97Å; E25-V122 HydrophobicContact CG-CG1 3.89Å; E25-V122 HydrophobicContact CG-CG2 4.12Å |
| 123 | Q | 94.4 | Very high | 93.5 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -136.2 | 116.9 | 170.2 | -173.6 | 170.5 | -18.4 | 0 | 0 | 110 | M1 W6 F23 I121 | M1-Q123 HydrophobicContact CE-CG 3.95Å; M1-Q123 HydrophobicContact SD-CG 4.11Å; W6-Q123 WeakPolarHBondContact CZ3-O 3.37Å; F23-Q123 HydrophobicContact CB-CB 4.04Å; F23-Q123 HydrophobicContact CD1-CB 3.52Å; F23-Q123 HydrophobicContact CD1-CG 4.46Å; F23-Q123 HydrophobicContact CD2-CB 4.37Å; F23-Q123 HydrophobicContact CE1-CB 3.99Å; F23-Q123 HydrophobicContact CG-CB 3.72Å; I121-Q123 VanDerWaalsContact CG2-O 3.25Å; I121-Q123 WeakPolarHBondContact CG2-O 3.41Å; I121-Q123 PolarHBondContact O-N 3.23Å |
| 124 | A | 93.6 | Very high | 93.5 | Very high | 53 Ų | 53 | 71.2 Ų | 71.2 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | trans | -58.7 | 133.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 W126 | M1-A124 WeakPolarHBondContact CE-O 3.46Å; A124-W126 PolarHBondContact O-N 2.88Å | ||
| 125 | P | 93.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -63.3 | -44.2 | -175.9 | 29 | -37.9 | 0 | 0 | 0 | 110.8 | M1 W6 L50 R51 W129 | M1-P125 VanDerWaalsContact CE-CA 3.48Å; W6-P125 HydrophobicContact CE3-CB 4.26Å; W6-P125 HydrophobicContact CH2-CB 3.99Å; W6-P125 HydrophobicContact CH2-CG 4.44Å; W6-P125 HydrophobicContact CZ3-CB 3.67Å; W6-P125 HydrophobicContact CZ3-CG 4.48Å; L50-P125 HydrophobicContact CB-CB 4.19Å; L50-P125 HydrophobicContact CB-CG 4.36Å; L50-P125 HydrophobicContact CD1-CG 4.28Å; L50-P125 HydrophobicContact CD2-CG 4.49Å; R51-P125 PolarHBondContact NH2-O 3.11Å; P125-W129 HydrophobicContact CG-CB 3.97Å; P125-W129 HydrophobicContact CG-CD2 3.78Å; P125-W129 HydrophobicContact CG-CG 3.46Å; P125-W129 VanDerWaalsContact CG-CG 3.46Å |
| 126 | W | 93.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 72.2 Ų | 72.2 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -137.6 | 162.1 | 173.7 | 54.7 | 93.1 | 0 | 0 | 0 | 111.9 | L50 A124 G128 W129 | L50-W126 HydrophobicContact CB-CZ3 4.43Å; L50-W126 HydrophobicContact CD2-CH2 4.02Å; L50-W126 HydrophobicContact CD2-CZ3 4.24Å; L50-W126 WeakPolarHBondContact O-CZ3 3.44Å; A124-W126 PolarHBondContact O-N 2.88Å; W126-G128 PolarHBondContact O-N 3.28Å; W126-W129 HydrophobicContact CD2-CB 4.28Å; W126-W129 AromaticContact CE2-CD1 3.54Å; W126-W129 HydrophobicContact CG-CB 4.35Å; W126-W129 AromaticContact CH2-CD1 3.57Å; W126-W129 AromaticContact CH2-NE1 3.91Å; W126-W129 AromaticContact CZ2-CD1 3.31Å; W126-W129 HydrophobicContact CZ2-CG 4.36Å; W126-W129 WeakPolarHBondContact O-CB 3.2Å; W126-W129 PolarHBondContact O-N 2.84Å |
| 127 | P | 93.6 | Very high | 93.9 | Very high | 131 Ų | 131 | 76.7 Ų | 76.7 | 85% | 0.851 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.5 | 176.1 | -26.1 | 35.5 | 0 | 0 | 0 | 112.1 | W129 | P127-W129 VanDerWaalsContact C-N 3.31Å; P127-W129 PolarHBondContact O-N 2.79Å |
| 128 | G | 93.1 | Very high | 94 | Very high | 63 Ų | 63 | 77.2 Ų | 77.2 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 1.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W126 | W126-G128 PolarHBondContact O-N 3.28Š|
| 129 | W | 94.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 74.9 Ų | 74.9 | 5% | 0.049 | 37% | 0.371 | C | S | . | . | trans | -58.8 | 139 | 174.3 | -177.7 | 84.2 | 0 | 0 | 0 | 111.9 | L50 L116 I121 P125 W126 P127 A131 | L50-W129 HydrophobicContact CD1-CZ2 3.95Å; L50-W129 HydrophobicContact CD2-CZ2 4.23Å; L116-W129 HydrophobicContact CD2-CH2 3.71Å; L116-W129 HydrophobicContact CD2-CZ2 3.59Å; L116-W129 HydrophobicContact CG-CH2 4.29Å; I121-W129 HydrophobicContact CB-CH2 3.9Å; I121-W129 HydrophobicContact CB-CZ3 3.66Å; I121-W129 HydrophobicContact CG1-CH2 3.32Å; I121-W129 HydrophobicContact CG1-CZ2 4.14Å; I121-W129 HydrophobicContact CG1-CZ3 3.67Å; I121-W129 HydrophobicContact CG2-CE3 4.34Å; I121-W129 HydrophobicContact CG2-CH2 4.34Å; I121-W129 HydrophobicContact CG2-CZ3 3.94Å; P125-W129 HydrophobicContact CG-CB 3.97Å; P125-W129 HydrophobicContact CG-CD2 3.78Å; P125-W129 HydrophobicContact CG-CG 3.46Å; P125-W129 VanDerWaalsContact CG-CG 3.46Å; W126-W129 HydrophobicContact CD2-CB 4.28Å; W126-W129 AromaticContact CE2-CD1 3.54Å; W126-W129 HydrophobicContact CG-CB 4.35Å; W126-W129 AromaticContact CH2-CD1 3.57Å; W126-W129 AromaticContact CH2-NE1 3.91Å; W126-W129 AromaticContact CZ2-CD1 3.31Å; W126-W129 HydrophobicContact CZ2-CG 4.36Å; W126-W129 WeakPolarHBondContact O-CB 3.2Å; W126-W129 PolarHBondContact O-N 2.84Å; P127-W129 VanDerWaalsContact C-N 3.31Å; P127-W129 PolarHBondContact O-N 2.79Å; W129-A131 VanDerWaalsContact CH2-CA 3.43Å; W129-A131 HydrophobicContact CH2-CB 3.59Å; W129-A131 HydrophobicContact CZ2-CB 4.31Å; W129-A131 HydrophobicContact CZ3-CB 4.07Å | ||
| 130 | R | 94.8 | Very high | 94.2 | Very high | 127 Ų | 127 | 70.4 Ų | 70.4 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | trans | -137.1 | 137.9 | 171.5 | -63.1 | -66 | -176.9 | -156.6 | 0.3 | 110.8 | D118 R132 Q133 | D118-R130 VanDerWaalsContact OD1-CA 3.28Å; D118-R130 WeakPolarHBondContact OD1-CA 3.28Å; R130-R132 HydrophobicContact CB-CG 3.99Å; R130-R132 PolarHBondContact O-N 2.8Å; R130-R132 VanDerWaalsContact O-N 3.16Å; R130-Q133 HydrophobicContact CB-CG 4.3Å; R130-Q133 WeakPolarHBondContact O-CB 3.26Å; R130-Q133 PolarHBondContact O-N 2.79Å | ||
| 131 | A | 93.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -56.9 | -34.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L116 D118 W129 Q133 Y134 | L116-A131 HydrophobicContact CB-CB 4.28Å; L116-A131 HydrophobicContact CD2-CB 4.3Å; L116-A131 HydrophobicContact CG-CB 3.96Å; L116-A131 WeakPolarHBondContact O-CB 3.41Å; D118-A131 VanDerWaalsContact N-CB 3.3Å; D118-A131 PolarHBondContact OD1-N 2.99Å; W129-A131 VanDerWaalsContact CH2-CA 3.43Å; W129-A131 HydrophobicContact CH2-CB 3.59Å; W129-A131 HydrophobicContact CZ2-CB 4.31Å; W129-A131 HydrophobicContact CZ3-CB 4.07Å; A131-Q133 PolarHBondContact O-N 2.94Å; A131-Y134 VanDerWaalsContact O-CB 3.25Å; A131-Y134 WeakPolarHBondContact O-CB 3.48Å; A131-Y134 PolarHBondContact O-N 2.87Å |
| 132 | R | 90.8 | Very high | 94.4 | Very high | 189 Ų | 189 | 72.7 Ų | 72.7 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -58 | -20.7 | 175.6 | 75.2 | -174.6 | -178.5 | -162.7 | 1.6 | 114.4 | R130 R135 | R130-R132 HydrophobicContact CB-CG 3.99Å; R130-R132 PolarHBondContact O-N 2.8Å; R130-R132 VanDerWaalsContact O-N 3.16Å; R132-R135 PolarHBondContact O-NH1 2.97Å |
| 133 | Q | 90.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 72.3 Ų | 72.3 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -91.3 | -13.8 | 178.6 | -60.2 | 170.9 | -38.7 | 0 | 0 | 112.4 | R130 A131 | R130-Q133 HydrophobicContact CB-CG 4.3Å; R130-Q133 WeakPolarHBondContact O-CB 3.26Å; R130-Q133 PolarHBondContact O-N 2.79Å; A131-Q133 PolarHBondContact O-N 2.94Å |
| 134 | Y | 93.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | trans | -67.5 | 134.8 | -178.8 | 178.1 | -103.1 | 0 | 0 | 0 | 110.7 | L48 L50 F82 G86 T114 L116 A131 | L48-Y134 WeakPolarHBondContact CA-OH 3.42Å; L48-Y134 HydrophobicContact CB-CE2 4.33Å; L48-Y134 HydrophobicContact CD2-CE1 4.32Å; L48-Y134 WeakPolarHBondContact O-CE2 3.5Å; L48-Y134 PolarHBondContact O-OH 2.87Å; L50-Y134 HydrophobicContact CD2-CD2 3.69Å; L50-Y134 HydrophobicContact CD2-CE2 3.98Å; L50-Y134 HydrophobicContact CG-CE2 4.48Å; F82-Y134 HydrophobicContact CB-CE1 4.03Å; F82-Y134 AromaticContact CD2-CE1 3.76Å; F82-Y134 HydrophobicContact CD2-CE1 3.76Å; F82-Y134 HydrophobicContact CG-CE1 4.32Å; F82-Y134 PolarHBondContact O-OH 3.42Å; G86-Y134 WeakPolarHBondContact CA-OH 3.4Å; T114-Y134 HydrophobicContact CG2-CD1 3.61Å; T114-Y134 HydrophobicContact CG2-CE1 3.84Å; L116-Y134 HydrophobicContact CB-CD1 4.25Å; L116-Y134 HydrophobicContact CD2-CD1 3.81Å; L116-Y134 HydrophobicContact CD2-CD2 4.33Å; L116-Y134 HydrophobicContact CD2-CE1 4.49Å; L116-Y134 HydrophobicContact CD2-CG 3.71Å; A131-Y134 VanDerWaalsContact O-CB 3.25Å; A131-Y134 WeakPolarHBondContact O-CB 3.48Å; A131-Y134 PolarHBondContact O-N 2.87Å | ||
| 135 | R | 92.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | trans | -144.8 | 143 | 176.9 | -61.6 | -65 | -177.6 | -82.5 | 4.2 | 107.3 | N109 R132 K137 | N109-R135 VanDerWaalsContact CG-CD 3.42Å; N109-R135 WeakPolarHBondContact ND2-CD 3.39Å; N109-R135 PolarHBondContact ND2-NE 2.82Å; N109-R135 WeakPolarHBondContact OD1-CD 3.26Å; R132-R135 PolarHBondContact O-NH1 2.97Å; R135-K137 PolarHBondContact O-N 2.65Å | ||
| 136 | V | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.024 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -65 | 124.5 | 164 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | F82 G107 T112 | F82-V136 VanDerWaalsContact CA-CG2 3.49Å; F82-V136 HydrophobicContact CB-CG2 3.56Å; G107-V136 WeakPolarHBondContact CA-O 3.31Å; T112-V136 HydrophobicContact CG2-CB 4.01Å; T112-V136 HydrophobicContact CG2-CG1 4.14Å; T112-V136 HydrophobicContact CG2-CG2 4.09Å |
| 137 | K | 95.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 73.8 Ų | 73.8 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 133.6 | 178 | -67.3 | -174.4 | -166.8 | 161.5 | 0 | 109.2 | H89 R135 V139 | H89-K137 HydrophobicContact CB-CB 3.92Å; H89-K137 HydrophobicContact CB-CD 4.46Å; H89-K137 PolarHBondContact NE2-NZ 2.8Å; R135-K137 PolarHBondContact O-N 2.65Å; K137-V139 PolarHBondContact O-N 2.84Å |
| 138 | A | 95.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 69.6 Ų | 69.6 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 134.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L104 A105 | L104-A138 VanDerWaalsContact O-CA 3.29Å; L104-A138 WeakPolarHBondContact O-CA 3.25Å; A105-A138 VanDerWaalsContact O-CB 3.29Å; A105-A138 WeakPolarHBondContact O-CB 3.3Å |
| 139 | V | 95.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | trans | -140.2 | 138.3 | 176.7 | 66.3 | 0 | 0 | 0 | 0 | 109 | L88 V94 L104 A105 K137 P141 | L88-V139 HydrophobicContact CB-CG1 3.99Å; L88-V139 HydrophobicContact CD1-CG1 4.26Å; V94-V139 HydrophobicContact CB-CG2 4.48Å; V94-V139 HydrophobicContact CG1-CG1 4.46Å; V94-V139 HydrophobicContact CG2-CG2 4.03Å; L104-V139 CarbonylContact C-O 3.6Å; L104-V139 HydrophobicContact CB-CG1 4.07Å; L104-V139 HydrophobicContact CD1-CG1 4.39Å; L104-V139 PolarHBondContact O-N 3.46Å; A105-V139 WeakPolarHBondContact CA-O 3.25Å; A105-V139 PolarHBondContact N-O 3.49Å; K137-V139 PolarHBondContact O-N 2.84Å; V139-P141 WeakPolarHBondContact O-CD 3.44Å | ||
| 140 | Q | 96.6 | Very high | 96.1 | Very high | 134 Ų | 134 | 72.6 Ų | 72.6 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | trans | -90.3 | 114.3 | 172.7 | -66.2 | -61.5 | -40.7 | 0 | 0 | 108.1 | T142 | Q140-T142 PolarHBondContact O-N 3.04Š| ||
| 141 | P | 97.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | trans | -61.8 | 137.1 | 177.6 | -21.6 | 34.4 | 0 | 0 | 0 | 110.7 | V94 V96 V101 L104 V139 | V94-P141 HydrophobicContact CG1-CB 4.41Å; V96-P141 HydrophobicContact CG1-CB 3.82Å; V96-P141 HydrophobicContact CG1-CG 3.53Å; V101-P141 HydrophobicContact CG1-CG 4.44Å; V101-P141 HydrophobicContact CG2-CG 4.34Å; L104-P141 HydrophobicContact CD1-CG 4.4Å; V139-P141 WeakPolarHBondContact O-CD 3.44Å | ||
| 142 | T | 97.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 70.8 Ų | 70.8 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -91.5 | -20.4 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | Q93 V94 Q140 | Q93-T142 WeakPolarHBondContact CA-OG1 3.39Å; V94-T142 PolarHBondContact N-OG1 2.73Å; V94-T142 PolarHBondContact O-N 3.01Å; V94-T142 PolarHBondContact O-OG1 2.99Å; Q140-T142 PolarHBondContact O-N 3.04Å |
| 143 | H | 98.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 61.8 Ų | 61.8 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.2 | 177 | -55.3 | 89.7 | 0 | 0 | 0 | 108.9 | L74 V94 G95 V96 L145 | L74-H143 WeakPolarHBondContact CD1-ND1 3.21Å; V94-H143 PolarHBondContact O-N 2.95Å; G95-H143 VanDerWaalsContact CA-O 3.32Å; G95-H143 WeakPolarHBondContact CA-O 3.39Å; V96-H143 PolarHBondContact N-O 3.18Å; V96-H143 VanDerWaalsContact N-O 3.15Å; H143-L145 HydrophobicContact CB-CD2 4.37Å |
| 144 | I | 98.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 108.4 | 176.2 | -58.7 | 176.1 | 0 | 0 | 0 | 106.8 | S98 V101 | S98-I144 VanDerWaalsContact CB-CG2 3.47Å; V101-I144 HydrophobicContact CG2-CG1 4.24Å; V101-I144 HydrophobicContact CG2-CG2 4.23Å |
| 145 | L | 98.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 148.9 | -173.9 | -54.2 | 176.4 | 0 | 0 | 0 | 111.3 | I76 V96 H97 S98 H143 D149 V160 I171 | I76-L145 HydrophobicContact CD1-CD1 4.47Å; I76-L145 HydrophobicContact CG2-CD1 3.76Å; V96-L145 PolarHBondContact O-N 3.41Å; H97-L145 WeakPolarHBondContact CA-O 3.37Å; H97-L145 PolarHBondContact CD2-O 2.78Å; S98-L145 PolarHBondContact N-O 2.91Å; H143-L145 HydrophobicContact CB-CD2 4.37Å; L145-D149 WeakPolarHBondContact CA-OD2 3.01Å; L145-V160 HydrophobicContact CB-CG1 4.38Å; L145-V160 HydrophobicContact CB-CG2 4.35Å; L145-V160 HydrophobicContact CD1-CG2 4.2Å; L145-V160 HydrophobicContact CD2-CG2 4.49Å; L145-I171 HydrophobicContact CD1-CD1 4.01Å |
| 146 | Q | 98.8 | Very high | 96.8 | Very high | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | trans | -130.2 | 166.7 | 175.1 | -61.9 | -65.7 | -12.3 | 0 | 0 | 110.9 | S98 G148 D149 V160 | S98-Q146 PolarHBondContact OG-NE2 3.46Å; S98-Q146 PolarHBondContact OG-OE1 2.95Å; Q146-G148 PolarHBondContact O-N 2.97Å; Q146-D149 PolarHBondContact N-OD2 3.43Å; Q146-D149 WeakPolarHBondContact O-CB 3.13Å; Q146-D149 PolarHBondContact O-N 3.16Å; Q146-V160 WeakPolarHBondContact O-CB 3.17Å; Q146-V160 VanDerWaalsContact O-CG1 3.26Å; Q146-V160 WeakPolarHBondContact O-CG1 3.23Å | ||
| 147 | E | 98.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 131.3 | 168.3 | 173.2 | 71.2 | -153.6 | 0 | 0 | 111.2 | D149 H162 R210 | E147-D149 VanDerWaalsContact C-N 3.26Å; E147-D149 PolarHBondContact O-N 2.66Å; E147-H162 HydrophobicContact CB-CB 4.07Å; E147-H162 PolarHBondContact OE2-N 3.34Å; E147-R210 VanDerWaalsContact CD-NH2 3.26Å; E147-R210 IonicContact OE1-CZ 3.52Å; E147-R210 IonicContact OE1-NH2 3.2Å; E147-R210 PolarHBondContact OE1-NH2 3.34Å; E147-R210 IonicContact OE2-CZ 3.56Å; E147-R210 IonicContact OE2-NH1 3.94Å; E147-R210 IonicContact OE2-NH2 3.36Å; E147-R210 PolarHBondContact OE2-NH2 2.67Å |
| 148 | G | 98.7 | Very high | 97.1 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -5.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q146 V160 | Q146-G148 PolarHBondContact O-N 2.97Å; G148-V160 PolarHBondContact N-O 2.85Å |
| 149 | D | 98.8 | Very high | 97.2 | Very high | 62 Ų | 62 | 57 Ų | 57 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | trans | -60.1 | 145 | 173 | -78.4 | -16 | 0 | 0 | 0 | 110.8 | L145 Q146 E147 T159 V160 | L145-D149 WeakPolarHBondContact CA-OD2 3.01Å; Q146-D149 PolarHBondContact N-OD2 3.43Å; Q146-D149 WeakPolarHBondContact O-CB 3.13Å; Q146-D149 PolarHBondContact O-N 3.16Å; E147-D149 VanDerWaalsContact C-N 3.26Å; E147-D149 PolarHBondContact O-N 2.66Å; D149-T159 CarbonylContact O-C 3.32Å; D149-T159 WeakPolarHBondContact O-CA 3.44Å; D149-V160 HydrophobicContact CB-CB 4.26Å; D149-V160 HydrophobicContact CB-CG2 4.03Å; D149-V160 WeakPolarHBondContact O-CG2 3.26Å; D149-V160 PolarHBondContact O-N 3.03Å | ||
| 150 | V | 98.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.2 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 110 | Q157 L158 | V150-Q157 HydrophobicContact CG1-CB 3.96Å; V150-Q157 HydrophobicContact CG1-CG 4.17Å; V150-L158 WeakPolarHBondContact CA-O 3.42Å |
| 151 | I | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.4 | 170.2 | -54 | 141.8 | 0 | 0 | 0 | 107 | V42 L74 I76 L153 L158 V160 L173 | V42-I151 HydrophobicContact CG2-CG2 3.92Å; L74-I151 HydrophobicContact CD2-CG2 3.97Å; I76-I151 HydrophobicContact CD1-CD1 3.32Å; I76-I151 HydrophobicContact CD1-CG1 3.84Å; I76-I151 HydrophobicContact CD1-CG2 4.08Å; I151-L153 HydrophobicContact CB-CD1 4.39Å; I151-L153 HydrophobicContact CG2-CD1 3.83Å; I151-L153 VanDerWaalsContact O-CD1 3.31Å; I151-L153 WeakPolarHBondContact O-CD1 3.41Å; I151-L158 HydrophobicContact CB-CB 4.27Å; I151-L158 HydrophobicContact CD1-CB 4.17Å; I151-L158 PolarHBondContact N-O 2.99Å; I151-L158 PolarHBondContact O-N 3Å; I151-V160 HydrophobicContact CD1-CG2 3.85Å; I151-V160 HydrophobicContact CG1-CG2 4.33Å; I151-L173 HydrophobicContact CD1-CD1 4.14Å; I151-L173 HydrophobicContact CD1-CD2 3.51Å; I151-L173 HydrophobicContact CD1-CG 4.42Å |
| 152 | N | 96.6 | Very high | 97.6 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 109.7 | -177.1 | -173.1 | -0.8 | 0 | 0 | 0 | 111.1 | G154 | N152-G154 VanDerWaalsContact C-N 3.34Å; N152-G154 VanDerWaalsContact OD1-CA 3.31Å; N152-G154 WeakPolarHBondContact OD1-CA 3.42Å; N152-G154 PolarHBondContact OD1-N 3.18Å |
| 153 | L | 94.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -89.6 | -3.6 | 175.1 | -74.9 | 74.9 | 0 | 0 | 0 | 111.9 | L35 G37 S38 H39 Q40 V42 I151 R156 L158 | L35-L153 HydrophobicContact CB-CD2 3.8Å; L35-L153 HydrophobicContact CD2-CD2 4.48Å; G37-L153 CarbonylContact C-O 3.33Å; G37-L153 VanDerWaalsContact C-O 3.32Å; G37-L153 WeakPolarHBondContact CA-O 3.27Å; S38-L153 PolarHBondContact N-O 2.95Å; S38-L153 VanDerWaalsContact N-O 3.15Å; H39-L153 WeakPolarHBondContact CB-O 3.39Å; H39-L153 PolarHBondContact N-O 3.39Å; Q40-L153 PolarHBondContact N-O 2.94Å; Q40-L153 WeakPolarHBondContact O-CB 3.32Å; Q40-L153 VanDerWaalsContact O-CG 3.27Å; Q40-L153 WeakPolarHBondContact O-CG 3.27Å; V42-L153 HydrophobicContact CB-CD2 4.26Å; V42-L153 HydrophobicContact CG2-CD1 3.81Å; V42-L153 HydrophobicContact CG2-CD2 4.05Å; V42-L153 HydrophobicContact CG2-CG 3.86Å; I151-L153 HydrophobicContact CB-CD1 4.39Å; I151-L153 HydrophobicContact CG2-CD1 3.83Å; I151-L153 VanDerWaalsContact O-CD1 3.31Å; I151-L153 WeakPolarHBondContact O-CD1 3.41Å; L153-R156 WeakPolarHBondContact CA-O 3.45Å; L153-R156 HydrophobicContact CB-CB 4.12Å; L153-R156 VanDerWaalsContact CB-O 3.3Å; L153-R156 WeakPolarHBondContact CB-O 3.47Å; L153-R156 PolarHBondContact N-O 3.23Å; L153-L158 HydrophobicContact CD1-CD1 4.03Å; L153-L158 HydrophobicContact CD1-CG 3.98Å | ||
| 154 | G | 93.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 106.7 | -85.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | S38 N152 R156 | S38-G154 WeakPolarHBondContact OG-CA 3.2Å; N152-G154 VanDerWaalsContact C-N 3.34Å; N152-G154 VanDerWaalsContact OD1-CA 3.31Å; N152-G154 WeakPolarHBondContact OD1-CA 3.42Å; N152-G154 PolarHBondContact OD1-N 3.18Å; G154-R156 PolarHBondContact N-O 2.83Å; G154-R156 PolarHBondContact O-N 2.69Å |
| 155 | D | 92.3 | Very high | 97.5 | Very high | 121 Ų | 121 | 41 Ų | 41 | 65% | 0.647 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -84.3 | 2 | 176.2 | 56.3 | -33 | 0 | 0 | 0 | 112.8 | S38 | S38-D155 WeakPolarHBondContact CB-OD1 3.42Å; S38-D155 PolarHBondContact N-OD1 3.3Å; S38-D155 VanDerWaalsContact OG-CG 3.24Å; S38-D155 PolarHBondContact OG-N 3.04Å; S38-D155 PolarHBondContact OG-OD1 2.66Å |
| 156 | R | 94.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | trans | -145.7 | 146.7 | 179.5 | -173 | 173.3 | -174.2 | 171.9 | 3 | 109.2 | L153 G154 D175 | L153-R156 WeakPolarHBondContact CA-O 3.45Å; L153-R156 HydrophobicContact CB-CB 4.12Å; L153-R156 VanDerWaalsContact CB-O 3.3Å; L153-R156 WeakPolarHBondContact CB-O 3.47Å; L153-R156 PolarHBondContact N-O 3.23Å; G154-R156 PolarHBondContact N-O 2.83Å; G154-R156 PolarHBondContact O-N 2.69Å; R156-D175 IonicContact CZ-OD2 2.85Å; R156-D175 IonicContact NE-OD2 3.87Å; R156-D175 PolarHBondContact NE-OD2 2.94Å; R156-D175 IonicContact NH2-OD2 3.97Å; R156-D175 PolarHBondContact NH2-OD2 2.88Å | ||
| 157 | Q | 97.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.4 | 178.6 | -67.8 | 179.2 | 92.6 | 0 | 0 | 109.7 | V150 | V150-Q157 HydrophobicContact CG1-CB 3.96Å; V150-Q157 HydrophobicContact CG1-CG 4.17Å |
| 158 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.7 | 173 | -51.7 | 174.5 | 0 | 0 | 0 | 109.1 | L35 I44 V150 I151 L153 L173 H174 D175 F182 | L35-L158 HydrophobicContact CD2-CD1 3.98Å; L35-L158 HydrophobicContact CD2-CD2 3.91Å; L35-L158 HydrophobicContact CD2-CG 4.46Å; I44-L158 HydrophobicContact CD1-CD1 4.28Å; V150-L158 WeakPolarHBondContact CA-O 3.42Å; I151-L158 HydrophobicContact CB-CB 4.27Å; I151-L158 HydrophobicContact CD1-CB 4.17Å; I151-L158 PolarHBondContact N-O 2.99Å; I151-L158 PolarHBondContact O-N 3Å; L153-L158 HydrophobicContact CD1-CD1 4.03Å; L153-L158 HydrophobicContact CD1-CG 3.98Å; L158-L173 HydrophobicContact CB-CB 4.29Å; L158-L173 HydrophobicContact CD1-CB 4.38Å; L158-L173 HydrophobicContact CD1-CD1 4.25Å; L158-H174 CarbonylContact C-O 3.48Å; L158-H174 WeakPolarHBondContact CA-O 3.35Å; L158-D175 HydrophobicContact CD2-CB 3.79Å; L158-F182 HydrophobicContact CD2-CE2 4.33Å |
| 159 | T | 98.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.7 | 172.9 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | D149 L161 H174 | D149-T159 CarbonylContact O-C 3.32Å; D149-T159 WeakPolarHBondContact O-CA 3.44Å; T159-L161 HydrophobicContact CG2-CD2 4.16Å; T159-L161 PolarHBondContact O-N 3.22Å; T159-H174 PolarHBondContact N-O 3.36Å; T159-H174 PolarHBondContact O-N 3.37Å |
| 160 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.8 | 175 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | L145 Q146 G148 D149 I151 I171 L173 | L145-V160 HydrophobicContact CB-CG1 4.38Å; L145-V160 HydrophobicContact CB-CG2 4.35Å; L145-V160 HydrophobicContact CD1-CG2 4.2Å; L145-V160 HydrophobicContact CD2-CG2 4.49Å; Q146-V160 WeakPolarHBondContact O-CB 3.17Å; Q146-V160 VanDerWaalsContact O-CG1 3.26Å; Q146-V160 WeakPolarHBondContact O-CG1 3.23Å; G148-V160 PolarHBondContact N-O 2.85Å; D149-V160 HydrophobicContact CB-CB 4.26Å; D149-V160 HydrophobicContact CB-CG2 4.03Å; D149-V160 WeakPolarHBondContact O-CG2 3.26Å; D149-V160 PolarHBondContact O-N 3.03Å; I151-V160 HydrophobicContact CD1-CG2 3.85Å; I151-V160 HydrophobicContact CG1-CG2 4.33Å; V160-I171 HydrophobicContact CG1-CB 4.17Å; V160-I171 HydrophobicContact CG1-CD1 4.18Å; V160-I171 HydrophobicContact CG1-CG2 3.82Å; V160-L173 HydrophobicContact CB-CD2 4.4Å; V160-L173 HydrophobicContact CG2-CD2 3.78Å |
| 161 | L | 98.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.8 | 171.8 | -52.6 | -179.1 | 0 | 0 | 0 | 108.4 | T159 M163 I171 C172 H174 L181 L214 | T159-L161 HydrophobicContact CG2-CD2 4.16Å; T159-L161 PolarHBondContact O-N 3.22Å; L161-M163 HydrophobicContact CB-CE 3.81Å; L161-M163 HydrophobicContact CB-CG 4.21Å; L161-M163 HydrophobicContact CD1-CE 3.92Å; L161-M163 HydrophobicContact CG-CE 4.48Å; L161-M163 PolarHBondContact O-N 2.79Å; L161-I171 CarbonylContact O-C 3.54Å; L161-I171 WeakPolarHBondContact O-CA 3.5Å; L161-C172 HydrophobicContact CB-CB 4.24Å; L161-C172 PolarHBondContact N-O 2.98Å; L161-C172 PolarHBondContact O-N 3.11Å; L161-H174 HydrophobicContact CD1-CB 3.74Å; L161-H174 HydrophobicContact CG-CB 4.09Å; L161-L181 HydrophobicContact CD1-CD1 4.18Å; L161-L214 HydrophobicContact CD1-CD1 3.86Å |
| 162 | H | 98.9 | Very high | 97.3 | Very high | 45 Ų | 45 | 28 Ų | 28 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 113.7 | 174.1 | 178.8 | -140.8 | 0 | 0 | 0 | 109.7 | H97 E147 P164 R168 S170 R210 | H97-H162 AromaticContact CE1-CD2 3.44Å; H97-H162 PolarHBondContact CE1-CD2 2.82Å; H97-H162 VanDerWaalsContact CE1-CD2 3.44Å; H97-H162 AromaticContact CE1-CE1 3.69Å; H97-H162 AromaticContact CE1-CG 3.67Å; H97-H162 AromaticContact CE1-ND1 3.84Å; H97-H162 AromaticContact CE1-NE2 3.46Å; H97-H162 PolarHBondContact CE1-NE2 3.11Å; H97-H162 AromaticContact ND1-CD2 3.82Å; H97-H162 AromaticContact ND1-NE2 3.88Å; H97-H162 AromaticContact NE2-CD2 3.56Å; H97-H162 AromaticContact NE2-CG 3.44Å; H97-H162 AromaticContact NE2-ND1 3.86Å; E147-H162 HydrophobicContact CB-CB 4.07Å; E147-H162 PolarHBondContact OE2-N 3.34Å; H162-P164 VanDerWaalsContact C-CD 3.46Å; H162-P164 WeakPolarHBondContact O-CD 3.38Å; H162-R168 PolarHBondContact NE2-O 3.22Å; H162-S170 PolarHBondContact CD2-O 3Å; H162-R210 PolarHBondContact O-NH1 3.46Å |
| 163 | M | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -127.2 | 67.5 | -172.4 | -66.8 | -71.6 | -174.2 | 0 | 0 | 109.8 | L161 S170 C172 V186 S207 R210 L214 | L161-M163 HydrophobicContact CB-CE 3.81Å; L161-M163 HydrophobicContact CB-CG 4.21Å; L161-M163 HydrophobicContact CD1-CE 3.92Å; L161-M163 HydrophobicContact CG-CE 4.48Å; L161-M163 PolarHBondContact O-N 2.79Å; M163-S170 CarbonylContact C-O 3.48Å; M163-S170 PolarHBondContact N-O 3.31Å; M163-S170 VanDerWaalsContact O-CB 3.26Å; M163-S170 WeakPolarHBondContact O-CB 3.33Å; M163-C172 HydrophobicContact CG-CB 4.43Å; M163-V186 HydrophobicContact CB-CB 4.31Å; M163-V186 HydrophobicContact CB-CG1 3.64Å; M163-V186 HydrophobicContact CB-CG2 3.65Å; M163-V186 HydrophobicContact CG-CG1 4.26Å; M163-S207 VanDerWaalsContact CA-OG 3.31Å; M163-S207 WeakPolarHBondContact CA-OG 3.44Å; M163-R210 HydrophobicContact CE-CB 3.91Å; M163-R210 HydrophobicContact SD-CB 4.13Å; M163-L214 HydrophobicContact CE-CD1 4.34Å | ||
| 164 | P | 98.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 24.6 Ų | 24.6 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | trans | -64.1 | 153.8 | -178.4 | 27.5 | -32.7 | 0 | 0 | 0 | 111.4 | H162 S167 D203 Y204 S207 | H162-P164 VanDerWaalsContact C-CD 3.46Å; H162-P164 WeakPolarHBondContact O-CD 3.38Å; P164-S167 WeakPolarHBondContact CA-O 3.42Å; P164-D203 HydrophobicContact CB-CB 4.01Å; P164-D203 HydrophobicContact CG-CB 4.02Å; P164-D203 CarbonylContact O-C 3.59Å; P164-D203 VanDerWaalsContact O-C 3.23Å; P164-Y204 PolarHBondContact O-N 2.72Å; P164-S207 PolarHBondContact O-OG 2.89Å | ||
| 165 | G | 96.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 151.6 | -60.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | S167 S199 Q200 | G165-S167 PolarHBondContact N-O 3.29Å; G165-S167 VanDerWaalsContact N-O 3.09Å; G165-S199 CarbonylContact O-C 3.59Å; G165-S199 WeakPolarHBondContact O-CA 3.32Å; G165-S199 VanDerWaalsContact O-CB 3.26Å; G165-S199 WeakPolarHBondContact O-CB 3.28Å; G165-Q200 PolarHBondContact O-N 3.34Å |
| 166 | H | 97.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -66.9 | -52.3 | 170.8 | 178.5 | 72.7 | 0 | 0 | 0 | 110.9 | H79 H81 D185 I193 S199 Y204 | H79-H166 AromaticContact CD2-CD2 3.77Å; H79-H166 AromaticContact CD2-NE2 3.96Å; H79-H166 AromaticContact NE2-CD2 3.59Å; H79-H166 AromaticContact NE2-NE2 3.43Å; H79-H166 PolarHBondContact NE2-NE2 3.42Å; H81-H166 AromaticContact CE1-CD2 3.55Å; H81-H166 AromaticContact CE1-CE1 3.82Å; H81-H166 AromaticContact CE1-NE2 3.03Å; H81-H166 PolarHBondContact CE1-NE2 2.98Å; H81-H166 AromaticContact ND1-CD2 3.73Å; H81-H166 AromaticContact ND1-CE1 3.91Å; H81-H166 AromaticContact ND1-NE2 2.95Å; H81-H166 PolarHBondContact ND1-NE2 3.46Å; H166-D185 VanDerWaalsContact CD2-CB 3.42Å; H166-D185 WeakPolarHBondContact CD2-CB 3.35Å; H166-D185 IonicContact CE1-OD2 3.71Å; H166-D185 IonicContact NE2-OD2 3.79Å; H166-D185 PolarHBondContact NE2-OD2 2.98Å; H166-I193 PolarHBondContact ND1-O 2.78Å; H166-S199 PolarHBondContact O-OG 2.86Å; H166-Y204 HydrophobicContact CB-CE1 4.34Å |
| 167 | S | 97.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -128 | 173.7 | 167.5 | 75.5 | 0 | 0 | 0 | 0 | 110.5 | H79 E100 P164 G165 S170 | H79-S167 VanDerWaalsContact CB-OG 3.26Å; H79-S167 WeakPolarHBondContact CB-OG 3.28Å; E100-S167 WeakPolarHBondContact OE1-CB 3.36Å; E100-S167 PolarHBondContact OE1-OG 3.31Å; E100-S167 VanDerWaalsContact OE1-OG 3.08Å; P164-S167 WeakPolarHBondContact CA-O 3.42Å; G165-S167 PolarHBondContact N-O 3.29Å; G165-S167 VanDerWaalsContact N-O 3.09Å; S167-S170 PolarHBondContact N-OG 3.2Å; S167-S170 WeakPolarHBondContact OG-CA 3.33Å; S167-S170 WeakPolarHBondContact OG-CB 3.18Å; S167-S170 PolarHBondContact OG-N 2.98Å; S167-S170 PolarHBondContact OG-OG 3.29Å |
| 168 | R | 96.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 23.3 Ų | 23.3 | 39% | 0.385 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -30.6 | -176 | 60.3 | 179.8 | 73.8 | 175.2 | 12.6 | 112.7 | A99 E100 E111 H162 T198 | A99-R168 HydrophobicContact CB-CB 4.39Å; A99-R168 HydrophobicContact CB-CG 3.99Å; A99-R168 WeakPolarHBondContact O-CD 3.09Å; E100-R168 VanDerWaalsContact OE1-CG 3.22Å; E100-R168 WeakPolarHBondContact OE1-CG 3.5Å; E100-R168 PolarHBondContact OE1-N 3.2Å; E111-R168 IonicContact OE1-CZ 3.15Å; E111-R168 IonicContact OE1-NH2 3.23Å; E111-R168 PolarHBondContact OE1-NH2 3.36Å; E111-R168 IonicContact OE2-CZ 3.29Å; E111-R168 IonicContact OE2-NE 3.42Å; E111-R168 IonicContact OE2-NH2 3.31Å; E111-R168 PolarHBondContact OE2-NH2 3.42Å; H162-R168 PolarHBondContact NE2-O 3.22Å; R168-T198 VanDerWaalsContact NH2-CG2 3.3Å |
| 169 | G | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 27.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | H97 E100 I171 | H97-G169 WeakPolarHBondContact CB-O 3.45Å; H97-G169 WeakPolarHBondContact ND1-CA 3.46Å; E100-G169 WeakPolarHBondContact OE1-CA 3.16Å; E100-G169 PolarHBondContact OE1-N 3.46Å; G169-I171 PolarHBondContact O-N 3.2Å |
| 170 | S | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -50.9 | 129.8 | 166.6 | -78.8 | 0 | 0 | 0 | 0 | 109.9 | T78 H162 M163 S167 | T78-S170 CarbonylContact O-C 3.58Å; T78-S170 WeakPolarHBondContact O-CA 3.39Å; H162-S170 PolarHBondContact CD2-O 3Å; M163-S170 CarbonylContact C-O 3.48Å; M163-S170 PolarHBondContact N-O 3.31Å; M163-S170 VanDerWaalsContact O-CB 3.26Å; M163-S170 WeakPolarHBondContact O-CB 3.33Å; S167-S170 PolarHBondContact N-OG 3.2Å; S167-S170 WeakPolarHBondContact OG-CA 3.33Å; S167-S170 WeakPolarHBondContact OG-CB 3.18Å; S167-S170 PolarHBondContact OG-N 2.98Å; S167-S170 PolarHBondContact OG-OG 3.29Å | ||
| 171 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.8 | 174.3 | 58.8 | 172.2 | 0 | 0 | 0 | 110.8 | I76 T78 H97 L145 V160 L161 G169 L173 | I76-I171 HydrophobicContact CG2-CD1 4.16Å; T78-I171 WeakPolarHBondContact O-CG1 3.1Å; T78-I171 PolarHBondContact O-N 2.89Å; H97-I171 HydrophobicContact CB-CG2 3.71Å; L145-I171 HydrophobicContact CD1-CD1 4.01Å; V160-I171 HydrophobicContact CG1-CB 4.17Å; V160-I171 HydrophobicContact CG1-CD1 4.18Å; V160-I171 HydrophobicContact CG1-CG2 3.82Å; L161-I171 CarbonylContact O-C 3.54Å; L161-I171 WeakPolarHBondContact O-CA 3.5Å; G169-I171 PolarHBondContact O-N 3.2Å; I171-L173 HydrophobicContact CD1-CD2 3.9Å; I171-L173 HydrophobicContact CD1-CG 4.48Å |
| 172 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 150.3 | 154.1 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | L161 M163 L181 F182 | L161-C172 HydrophobicContact CB-CB 4.24Å; L161-C172 PolarHBondContact N-O 2.98Å; L161-C172 PolarHBondContact O-N 3.11Å; M163-C172 HydrophobicContact CG-CB 4.43Å; C172-L181 HydrophobicContact CB-CD1 3.61Å; C172-L181 HydrophobicContact CB-CG 4.13Å; C172-F182 CarbonylContact C-O 3.58Å; C172-F182 VanDerWaalsContact CA-O 3.23Å; C172-F182 WeakPolarHBondContact CA-O 3.41Å |
| 173 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.1 | 165.8 | -58.1 | 177.6 | 0 | 0 | 0 | 108.3 | I44 I76 I151 L158 V160 I171 F182 | I44-L173 HydrophobicContact CD1-CD1 3.74Å; I44-L173 HydrophobicContact CG1-CD1 3.79Å; I44-L173 HydrophobicContact CG2-CD1 4.03Å; I76-L173 HydrophobicContact CB-CD1 4.43Å; I76-L173 HydrophobicContact CD1-CD1 4.3Å; I76-L173 HydrophobicContact CG2-CD1 4.07Å; I151-L173 HydrophobicContact CD1-CD1 4.14Å; I151-L173 HydrophobicContact CD1-CD2 3.51Å; I151-L173 HydrophobicContact CD1-CG 4.42Å; L158-L173 HydrophobicContact CB-CB 4.29Å; L158-L173 HydrophobicContact CD1-CB 4.38Å; L158-L173 HydrophobicContact CD1-CD1 4.25Å; V160-L173 HydrophobicContact CB-CD2 4.4Å; V160-L173 HydrophobicContact CG2-CD2 3.78Å; I171-L173 HydrophobicContact CD1-CD2 3.9Å; I171-L173 HydrophobicContact CD1-CG 4.48Å; L173-F182 HydrophobicContact CB-CB 4.18Å; L173-F182 PolarHBondContact N-O 3.1Å; L173-F182 WeakPolarHBondContact O-CD2 3.13Å; L173-F182 PolarHBondContact O-N 2.88Å |
| 174 | H | 98.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 22 Ų | 22 | 6% | 0.06 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.2 | -175.5 | -179.5 | -133.9 | 0 | 0 | 0 | 110.9 | L158 T159 L161 M180 L181 Q219 | L158-H174 CarbonylContact C-O 3.48Å; L158-H174 WeakPolarHBondContact CA-O 3.35Å; T159-H174 PolarHBondContact N-O 3.36Å; T159-H174 PolarHBondContact O-N 3.37Å; L161-H174 HydrophobicContact CD1-CB 3.74Å; L161-H174 HydrophobicContact CG-CB 4.09Å; H174-M180 PolarHBondContact CD2-O 3.39Å; H174-L181 HydrophobicContact CB-CD1 3.92Å; H174-Q219 PolarHBondContact NE2-O 3.37Å |
| 175 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 96.9 | 169.7 | 179.1 | -10.7 | 0 | 0 | 0 | 108.3 | R156 L158 D177 N178 K179 M180 | R156-D175 IonicContact CZ-OD2 2.85Å; R156-D175 IonicContact NE-OD2 3.87Å; R156-D175 PolarHBondContact NE-OD2 2.94Å; R156-D175 IonicContact NH2-OD2 3.97Å; R156-D175 PolarHBondContact NH2-OD2 2.88Å; L158-D175 HydrophobicContact CD2-CB 3.79Å; D175-D177 PolarHBondContact OD1-N 3.18Å; D175-N178 PolarHBondContact OD1-N 3.35Å; D175-N178 VanDerWaalsContact OD1-N 3.17Å; D175-N178 PolarHBondContact OD1-ND2 3.48Å; D175-N178 VanDerWaalsContact OD1-ND2 3.1Å; D175-N178 PolarHBondContact OD2-ND2 2.68Å; D175-K179 WeakPolarHBondContact O-CA 2.91Å; D175-K179 PolarHBondContact O-N 3.22Å; D175-M180 HydrophobicContact CB-CB 4.14Å; D175-M180 PolarHBondContact N-O 2.88Å; D175-M180 PolarHBondContact O-N 3.47Å |
| 176 | G | 97.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 21.3 Ų | 21.3 | 41% | 0.412 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N178 K179 | G176-N178 VanDerWaalsContact C-N 3.33Å; G176-N178 PolarHBondContact O-N 3.36Å; G176-K179 PolarHBondContact O-N 3.17Å |
| 177 | D | 96.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 21.2 Ų | 21.2 | 69% | 0.69 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -38.3 | -176.4 | -68.6 | -24.7 | 0 | 0 | 0 | 111.2 | D175 | D175-D177 PolarHBondContact OD1-N 3.18Š|
| 178 | N | 97.1 | Very high | 98.3 | Very high | 71 Ų | 71 | 21.5 Ų | 21.5 | 38% | 0.38 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.6 | 178.7 | -57 | -70.8 | 0 | 0 | 0 | 113.7 | D175 G176 M180 | D175-N178 PolarHBondContact OD1-N 3.35Å; D175-N178 VanDerWaalsContact OD1-N 3.17Å; D175-N178 PolarHBondContact OD1-ND2 3.48Å; D175-N178 VanDerWaalsContact OD1-ND2 3.1Å; D175-N178 PolarHBondContact OD2-ND2 2.68Å; G176-N178 VanDerWaalsContact C-N 3.33Å; G176-N178 PolarHBondContact O-N 3.36Å; N178-M180 HydrophobicContact CB-CE 3.34Å; N178-M180 HydrophobicContact CB-CG 4.38Å; N178-M180 PolarHBondContact O-N 2.86Å |
| 179 | K | 98.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 20.3 Ų | 20.3 | 28% | 0.278 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.6 | -176.6 | -58.8 | -177.9 | 173.9 | -160 | 0 | 113.3 | D175 G176 E218 Q219 V220 D221 Q222 | D175-K179 WeakPolarHBondContact O-CA 2.91Å; D175-K179 PolarHBondContact O-N 3.22Å; G176-K179 PolarHBondContact O-N 3.17Å; K179-E218 WeakPolarHBondContact CD-O 3.34Å; K179-E218 WeakPolarHBondContact CE-O 2.98Å; K179-E218 PolarHBondContact NZ-O 3.12Å; K179-Q219 WeakPolarHBondContact CA-O 3.16Å; K179-V220 WeakPolarHBondContact O-CA 3.44Å; K179-D221 HydrophobicContact CB-CB 4.06Å; K179-D221 VanDerWaalsContact CD-OD2 3.25Å; K179-D221 WeakPolarHBondContact CD-OD2 3.17Å; K179-D221 PolarHBondContact O-N 3.38Å; K179-Q222 PolarHBondContact O-N 3.48Å |
| 180 | M | 98.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.3 | 179 | -77 | -171.9 | -91.2 | 0 | 0 | 111.2 | L16 H174 D175 N178 F182 Q222 M224 | L16-M180 HydrophobicContact CD2-SD 3.84Å; H174-M180 PolarHBondContact CD2-O 3.39Å; D175-M180 HydrophobicContact CB-CB 4.14Å; D175-M180 PolarHBondContact N-O 2.88Å; D175-M180 PolarHBondContact O-N 3.47Å; N178-M180 HydrophobicContact CB-CE 3.34Å; N178-M180 HydrophobicContact CB-CG 4.38Å; N178-M180 PolarHBondContact O-N 2.86Å; M180-F182 HydrophobicContact CB-CE2 4.42Å; M180-Q222 WeakPolarHBondContact CA-O 3.11Å; M180-Q222 HydrophobicContact CG-CB 4.42Å; M180-M224 HydrophobicContact SD-SD 4.49Å |
| 181 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 113.2 | 176.7 | -170.7 | 72.4 | 0 | 0 | 0 | 110.9 | L161 C172 H174 S183 L211 V220 Q222 V223 M224 L236 | L161-L181 HydrophobicContact CD1-CD1 4.18Å; C172-L181 HydrophobicContact CB-CD1 3.61Å; C172-L181 HydrophobicContact CB-CG 4.13Å; H174-L181 HydrophobicContact CB-CD1 3.92Å; L181-S183 PolarHBondContact O-N 2.93Å; L181-L211 HydrophobicContact CD2-CD2 3.64Å; L181-V220 HydrophobicContact CB-CG1 3.83Å; L181-V220 HydrophobicContact CB-CG2 4.04Å; L181-V220 HydrophobicContact CD2-CG2 4.49Å; L181-Q222 PolarHBondContact N-O 3.2Å; L181-V223 WeakPolarHBondContact O-CA 3.41Å; L181-M224 PolarHBondContact O-N 3.32Å; L181-L236 HydrophobicContact CD2-CD2 4.35Å |
| 182 | F | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 100.3 | 169 | -58.9 | -91.9 | 0 | 0 | 0 | 108.4 | L16 W33 L35 I44 L158 C172 L173 M180 M224 | L16-F182 HydrophobicContact CD1-CE1 3.87Å; L16-F182 HydrophobicContact CD1-CZ 3.9Å; W33-F182 HydrophobicContact CB-CD1 3.85Å; W33-F182 HydrophobicContact CB-CE1 3.78Å; W33-F182 AromaticContact CD1-CD1 3.74Å; W33-F182 HydrophobicContact CD2-CD1 4.24Å; W33-F182 HydrophobicContact CD2-CE1 4.22Å; W33-F182 AromaticContact CG-CD1 3.64Å; W33-F182 HydrophobicContact CG-CD1 3.64Å; W33-F182 AromaticContact CG-CE1 3.84Å; W33-F182 HydrophobicContact CG-CE1 3.84Å; L35-F182 HydrophobicContact CD1-CD1 4.42Å; L35-F182 HydrophobicContact CD1-CE1 3.68Å; L35-F182 HydrophobicContact CD1-CE2 4.34Å; L35-F182 HydrophobicContact CD1-CZ 3.65Å; L35-F182 HydrophobicContact CD2-CE1 4.46Å; L35-F182 HydrophobicContact CD2-CE2 3.67Å; L35-F182 HydrophobicContact CD2-CZ 3.62Å; L35-F182 HydrophobicContact CG-CE1 4.48Å; L35-F182 HydrophobicContact CG-CE2 4.5Å; L35-F182 HydrophobicContact CG-CZ 3.96Å; I44-F182 HydrophobicContact CD1-CB 3.85Å; I44-F182 HydrophobicContact CD1-CD1 3.58Å; I44-F182 HydrophobicContact CD1-CD2 3.87Å; I44-F182 HydrophobicContact CD1-CE1 4.11Å; I44-F182 HydrophobicContact CD1-CE2 4.38Å; I44-F182 HydrophobicContact CD1-CG 3.46Å; I44-F182 VanDerWaalsContact CD1-CG 3.46Å; I44-F182 HydrophobicContact CD1-CZ 4.49Å; L158-F182 HydrophobicContact CD2-CE2 4.33Å; C172-F182 CarbonylContact C-O 3.58Å; C172-F182 VanDerWaalsContact CA-O 3.23Å; C172-F182 WeakPolarHBondContact CA-O 3.41Å; L173-F182 HydrophobicContact CB-CB 4.18Å; L173-F182 PolarHBondContact N-O 3.1Å; L173-F182 WeakPolarHBondContact O-CD2 3.13Å; L173-F182 PolarHBondContact O-N 2.88Å; M180-F182 HydrophobicContact CB-CE2 4.42Å; F182-M224 WeakPolarHBondContact CA-O 3.43Å; F182-M224 HydrophobicContact CD1-CB 3.37Å; F182-M224 HydrophobicContact CD1-CG 3.83Å; F182-M224 HydrophobicContact CE1-CB 3.59Å; F182-M224 HydrophobicContact CE1-CG 3.58Å; F182-M224 HydrophobicContact CG-CB 4.03Å; F182-M224 HydrophobicContact CG-CG 4.38Å; F182-M224 HydrophobicContact CZ-CB 4.4Å; F182-M224 HydrophobicContact CZ-CG 3.94Å |
| 183 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -11.9 | -164.8 | 52.1 | 0 | 0 | 0 | 0 | 115 | L181 D185 V186 V187 V223 M224 P225 | L181-S183 PolarHBondContact O-N 2.93Å; S183-D185 PolarHBondContact O-N 2.82Å; S183-V186 VanDerWaalsContact O-CB 3.25Å; S183-V186 WeakPolarHBondContact O-CB 3.42Å; S183-V186 VanDerWaalsContact O-CG2 3.31Å; S183-V186 WeakPolarHBondContact O-CG2 3.48Å; S183-V186 PolarHBondContact O-N 3.16Å; S183-V187 PolarHBondContact OG-O 3.34Å; S183-V223 VanDerWaalsContact OG-CG1 3.26Å; S183-V223 WeakPolarHBondContact OG-CG1 2.97Å; S183-M224 PolarHBondContact N-O 3.32Å; S183-P225 WeakPolarHBondContact OG-CA 3.31Å |
| 184 | G | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | -130 | -166.5 | 0 | 0 | 0 | 0 | 0 | 110 | G226 | G184-G226 WeakPolarHBondContact O-CA 3.25Å; G184-G226 PolarHBondContact O-N 2.97Å |
| 185 | D | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 7.2 | -179.9 | -79.1 | 17.9 | 0 | 0 | 0 | 114.7 | H79 H84 H166 S183 V187 Y188 Y204 H227 | H79-D185 IonicContact CE1-OD2 3.72Å; H79-D185 IonicContact NE2-OD2 3.52Å; H84-D185 IonicContact CE1-OD1 3.73Å; H84-D185 PolarHBondContact CE1-OD1 3.14Å; H84-D185 VanDerWaalsContact CE1-OD1 3.31Å; H84-D185 IonicContact NE2-OD1 2.78Å; H84-D185 PolarHBondContact NE2-OD1 2.77Å; H84-D185 IonicContact NE2-OD2 2.84Å; H166-D185 VanDerWaalsContact CD2-CB 3.42Å; H166-D185 WeakPolarHBondContact CD2-CB 3.35Å; H166-D185 IonicContact CE1-OD2 3.71Å; H166-D185 IonicContact NE2-OD2 3.79Å; H166-D185 PolarHBondContact NE2-OD2 2.98Å; S183-D185 PolarHBondContact O-N 2.82Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 2.93Å; D185-Y188 HydrophobicContact CB-CD1 4.44Å; D185-Y188 HydrophobicContact CB-CE1 4.01Å; D185-Y204 PolarHBondContact O-OH 3.47Å; D185-H227 IonicContact OD1-CD2 3.84Å; D185-H227 PolarHBondContact OD1-CD2 2.99Å; D185-H227 IonicContact OD1-NE2 3.39Å; D185-H227 PolarHBondContact OD1-NE2 3.05Å; D185-H227 IonicContact OD2-CD2 2.67Å; D185-H227 PolarHBondContact OD2-CD2 3.01Å; D185-H227 IonicContact OD2-NE2 3.68Å; D185-H227 PolarHBondContact OD2-NE2 2.94Å; D185-H227 VanDerWaalsContact OD2-NE2 3.15Å |
| 186 | V | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -60.5 | -44.4 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | M163 S183 M192 Y204 L211 | M163-V186 HydrophobicContact CB-CB 4.31Å; M163-V186 HydrophobicContact CB-CG1 3.64Å; M163-V186 HydrophobicContact CB-CG2 3.65Å; M163-V186 HydrophobicContact CG-CG1 4.26Å; S183-V186 VanDerWaalsContact O-CB 3.25Å; S183-V186 WeakPolarHBondContact O-CB 3.42Å; S183-V186 VanDerWaalsContact O-CG2 3.31Å; S183-V186 WeakPolarHBondContact O-CG2 3.48Å; S183-V186 PolarHBondContact O-N 3.16Å; V186-M192 WeakPolarHBondContact O-CE 3.45Å; V186-Y204 WeakPolarHBondContact O-CE2 3.32Å; V186-Y204 PolarHBondContact O-OH 3.44Å; V186-L211 HydrophobicContact CG1-CD1 4.07Å |
| 187 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -154 | 134.9 | 176 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | S183 D185 M192 L211 V223 F231 L236 I239 | S183-V187 PolarHBondContact OG-O 3.34Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 2.93Å; V187-M192 HydrophobicContact CB-CE 3.97Å; V187-M192 HydrophobicContact CB-SD 4.27Å; V187-M192 HydrophobicContact CG2-CE 4Å; V187-M192 HydrophobicContact CG2-SD 4.03Å; V187-L211 HydrophobicContact CB-CD1 3.89Å; V187-L211 HydrophobicContact CG1-CD1 3.81Å; V187-L211 HydrophobicContact CG1-CD2 4.35Å; V187-V223 HydrophobicContact CG1-CG1 4.44Å; V187-F231 HydrophobicContact CG2-CZ 4.15Å; V187-L236 HydrophobicContact CB-CD1 4.23Å; V187-L236 HydrophobicContact CG1-CD1 3.6Å; V187-L236 HydrophobicContact CG2-CD1 3.8Å; V187-I239 HydrophobicContact CG2-CB 4.24Å; V187-I239 HydrophobicContact CG2-CD1 4.46Å; V187-I239 HydrophobicContact CG2-CG2 3.78Å |
| 188 | Y | 97.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | trans | -149 | 166.2 | 173.3 | 49.3 | -99.2 | 0 | 0 | 0 | 109.9 | D185 G190 A191 I193 H227 Y228 | D185-Y188 HydrophobicContact CB-CD1 4.44Å; D185-Y188 HydrophobicContact CB-CE1 4.01Å; Y188-G190 PolarHBondContact O-N 3.47Å; Y188-A191 VanDerWaalsContact CE2-O 3.27Å; Y188-A191 WeakPolarHBondContact CE2-O 3.35Å; Y188-A191 PolarHBondContact OH-O 2.91Å; Y188-I193 WeakPolarHBondContact OH-CD1 3.4Å; Y188-I193 WeakPolarHBondContact OH-CG1 3.22Å; Y188-H227 HydrophobicContact CG-CB 4.29Å; Y188-Y228 AromaticContact CD2-CD2 3.66Å; Y188-Y228 HydrophobicContact CD2-CD2 3.66Å; Y188-Y228 AromaticContact CD2-CE2 3.56Å; Y188-Y228 HydrophobicContact CD2-CE2 3.56Å; Y188-Y228 HydrophobicContact CE2-CD2 4.45Å; Y188-Y228 AromaticContact CE2-CE2 3.9Å; Y188-Y228 HydrophobicContact CE2-CE2 3.9Å; Y188-Y228 HydrophobicContact CG-CD2 4.27Å; Y188-Y228 HydrophobicContact CG-CE2 4.49Å | ||
| 189 | D | 93.9 | Very high | 95 | Very high | 77 Ų | 77 | 23.4 Ų | 23.4 | 41% | 0.412 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -76.8 | 64 | -178 | -163.5 | 21.2 | 0 | 0 | 0 | 112.3 | F231 Q235 | D189-F231 HydrophobicContact CB-CD1 4.01Å; D189-F231 HydrophobicContact CB-CE1 4.38Å; D189-Q235 PolarHBondContact OD1-NE2 3.02Å |
| 190 | G | 90.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 24.9 Ų | 24.9 | 32% | 0.32 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -163.8 | -164.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y188 M192 | Y188-G190 PolarHBondContact O-N 3.47Å; G190-M192 PolarHBondContact O-N 2.83Å |
| 191 | A | 90.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 25.4 Ų | 25.4 | 64% | 0.636 | 15% | 0.147 | S | C | * | . | trans | -77.9 | 122.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y188 I193 | Y188-A191 VanDerWaalsContact CE2-O 3.27Å; Y188-A191 WeakPolarHBondContact CE2-O 3.35Å; Y188-A191 PolarHBondContact OH-O 2.91Å; A191-I193 PolarHBondContact O-N 2.87Å | ||
| 192 | M | 93.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | trans | -65.2 | 121.7 | 173.4 | -55.1 | -70.5 | -92.5 | 0 | 0 | 109.3 | V186 V187 G190 Y204 I239 Y243 | V186-M192 WeakPolarHBondContact O-CE 3.45Å; V187-M192 HydrophobicContact CB-CE 3.97Å; V187-M192 HydrophobicContact CB-SD 4.27Å; V187-M192 HydrophobicContact CG2-CE 4Å; V187-M192 HydrophobicContact CG2-SD 4.03Å; G190-M192 PolarHBondContact O-N 2.83Å; M192-Y204 HydrophobicContact CB-CE1 4.07Å; M192-Y204 HydrophobicContact CE-CE2 3.58Å; M192-Y204 VanDerWaalsContact CE-OH 3.31Å; M192-Y204 WeakPolarHBondContact CE-OH 3.43Å; M192-I239 HydrophobicContact CE-CG2 4.25Å; M192-I239 HydrophobicContact CG-CG2 4Å; M192-I239 HydrophobicContact SD-CG2 3.7Å; M192-Y243 HydrophobicContact CB-CD2 3.69Å; M192-Y243 HydrophobicContact CB-CE2 4.06Å; M192-Y243 HydrophobicContact CB-CG 4.46Å; M192-Y243 HydrophobicContact CG-CD2 4.08Å; M192-Y243 HydrophobicContact CG-CG 4.46Å | ||
| 193 | I | 92.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | trans | -95.9 | 115.3 | -174.4 | -67.9 | 170 | 0 | 0 | 0 | 109.8 | H166 Y188 A191 W195 L196 | H166-I193 PolarHBondContact ND1-O 2.78Å; Y188-I193 WeakPolarHBondContact OH-CD1 3.4Å; Y188-I193 WeakPolarHBondContact OH-CG1 3.22Å; A191-I193 PolarHBondContact O-N 2.87Å; I193-W195 HydrophobicContact CG2-CD2 4.35Å; I193-W195 HydrophobicContact CG2-CZ2 4.16Å; I193-L196 HydrophobicContact CG2-CD1 3.61Å; I193-L196 HydrophobicContact CG2-CD2 4.23Å; I193-L196 HydrophobicContact CG2-CG 3.51Å | ||
| 194 | D | 92.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | trans | -126.5 | 11.2 | -175.9 | 68.6 | 1.2 | 0 | 0 | 0 | 114.2 | S199 V201 Y204 Y243 T256 | D194-S199 WeakPolarHBondContact O-CB 3.12Å; D194-V201 HydrophobicContact CB-CG2 4.22Å; D194-Y204 HydrophobicContact CB-CD1 3.76Å; D194-Y204 HydrophobicContact CB-CE1 4.19Å; D194-Y243 HydrophobicContact CB-CE2 4.36Å; D194-Y243 VanDerWaalsContact CB-OH 3.31Å; D194-Y243 WeakPolarHBondContact CB-OH 3.3Å; D194-Y243 WeakPolarHBondContact OD2-CE2 3.36Å; D194-Y243 PolarHBondContact OD2-OH 2.79Å; D194-T256 WeakPolarHBondContact O-CG2 3.41Å; D194-T256 WeakPolarHBondContact OD1-CG2 3.37Å; D194-T256 PolarHBondContact OD1-OG1 3.07Å | ||
| 195 | W | 90.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 32.7 Ų | 32.7 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | trans | -112 | 10.7 | -175.6 | 52.5 | -93.4 | 0 | 0 | 0 | 113 | W115 I193 T256 W259 R260 A263 | W115-W195 HydrophobicContact CH2-CH2 4.3Å; W115-W195 AromaticContact CH2-CZ3 3.8Å; W115-W195 HydrophobicContact CH2-CZ3 3.8Å; W115-W195 AromaticContact CZ3-CH2 3.97Å; W115-W195 HydrophobicContact CZ3-CH2 3.97Å; W115-W195 AromaticContact CZ3-CZ3 3.93Å; W115-W195 HydrophobicContact CZ3-CZ3 3.93Å; I193-W195 HydrophobicContact CG2-CD2 4.35Å; I193-W195 HydrophobicContact CG2-CZ2 4.16Å; W195-T256 HydrophobicContact CB-CG2 3.87Å; W195-W259 HydrophobicContact CB-CB 3.87Å; W195-W259 HydrophobicContact CD2-CB 4.26Å; W195-W259 HydrophobicContact CE3-CB 4.23Å; W195-W259 HydrophobicContact CG-CB 4.12Å; W195-R260 WeakPolarHBondContact O-CA 3.33Å; W195-R260 VanDerWaalsContact O-CB 3.28Å; W195-R260 WeakPolarHBondContact O-CB 3.25Å; W195-R260 PolarHBondContact O-N 2.97Å; W195-A263 HydrophobicContact CE3-CB 4.16Å; W195-A263 HydrophobicContact CZ3-CB 4.06Å | ||
| 196 | L | 92.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -77.9 | 164 | 175.8 | -62.5 | 174 | 0 | 0 | 0 | 110.8 | H81 V113 W115 I193 T198 S199 R260 | H81-L196 VanDerWaalsContact CE1-CD1 3.43Å; H81-L196 WeakPolarHBondContact CE1-CD1 3.45Å; V113-L196 HydrophobicContact CG1-CD1 4.23Å; V113-L196 HydrophobicContact CG1-CD2 3.76Å; V113-L196 HydrophobicContact CG1-CG 4.49Å; W115-L196 HydrophobicContact CH2-CD2 3.79Å; W115-L196 HydrophobicContact CZ3-CD2 3.6Å; I193-L196 HydrophobicContact CG2-CD1 3.61Å; I193-L196 HydrophobicContact CG2-CD2 4.23Å; I193-L196 HydrophobicContact CG2-CG 3.51Å; L196-T198 PolarHBondContact O-N 3.45Å; L196-T198 VanDerWaalsContact O-N 3.11Å; L196-S199 WeakPolarHBondContact CB-OG 3.48Å; L196-S199 PolarHBondContact N-OG 3.05Å; L196-S199 VanDerWaalsContact N-OG 3.12Å; L196-S199 WeakPolarHBondContact O-CB 3.39Å; L196-S199 PolarHBondContact O-N 2.97Å; L196-S199 PolarHBondContact O-OG 2.79Å; L196-R260 VanDerWaalsContact O-CD 3.31Å; L196-R260 WeakPolarHBondContact O-CD 3.43Å; L196-R260 WeakPolarHBondContact O-CG 3.49Å |
| 197 | P | 88.1 | Confident | 94.1 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 16% | 0.156 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -38 | -172.1 | -30.5 | 37 | 0 | 0 | 0 | 115.3 | F110 L267 | F110-P197 HydrophobicContact CD1-CB 4.33Å; F110-P197 HydrophobicContact CD2-CG 4.46Å; F110-P197 HydrophobicContact CE1-CB 3.59Å; F110-P197 HydrophobicContact CE1-CG 4.3Å; F110-P197 HydrophobicContact CE2-CB 4.06Å; F110-P197 HydrophobicContact CE2-CG 4.02Å; F110-P197 HydrophobicContact CZ-CB 3.45Å; F110-P197 VanDerWaalsContact CZ-CB 3.45Å; F110-P197 HydrophobicContact CZ-CG 3.94Å; P197-L267 HydrophobicContact CG-CD1 3.53Å |
| 198 | T | 90.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.5 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | E111 R168 L196 | E111-T198 WeakPolarHBondContact OE2-CG2 3.27Å; R168-T198 VanDerWaalsContact NH2-CG2 3.3Å; L196-T198 PolarHBondContact O-N 3.45Å; L196-T198 VanDerWaalsContact O-N 3.11Å |
| 199 | S | 93.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | trans | -73.6 | 144 | 179.4 | -55.5 | 0 | 0 | 0 | 0 | 112 | G165 H166 D194 L196 R260 | G165-S199 CarbonylContact O-C 3.59Å; G165-S199 WeakPolarHBondContact O-CA 3.32Å; G165-S199 VanDerWaalsContact O-CB 3.26Å; G165-S199 WeakPolarHBondContact O-CB 3.28Å; H166-S199 PolarHBondContact O-OG 2.86Å; D194-S199 WeakPolarHBondContact O-CB 3.12Å; L196-S199 WeakPolarHBondContact CB-OG 3.48Å; L196-S199 PolarHBondContact N-OG 3.05Å; L196-S199 VanDerWaalsContact N-OG 3.12Å; L196-S199 WeakPolarHBondContact O-CB 3.39Å; L196-S199 PolarHBondContact O-N 2.97Å; L196-S199 PolarHBondContact O-OG 2.79Å; S199-R260 PolarHBondContact O-NH1 2.9Å | ||
| 200 | Q | 93.9 | Very high | 94.4 | Very high | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | trans | -137 | 107.6 | -179.4 | -171.1 | 93.2 | 72.4 | 0 | 0 | 109.8 | G165 S202 D203 Y204 | G165-Q200 PolarHBondContact O-N 3.34Å; Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 WeakPolarHBondContact CG-OG 3.39Å; Q200-S202 PolarHBondContact O-N 2.82Å; Q200-D203 HydrophobicContact CB-CB 4.1Å; Q200-D203 HydrophobicContact CG-CB 4.15Å; Q200-D203 WeakPolarHBondContact CG-OD2 3.44Å; Q200-D203 PolarHBondContact O-N 3.4Å; Q200-Y204 PolarHBondContact O-N 3.43Å | ||
| 201 | V | 93.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | -175.7 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | D194 D203 Y204 I205 A247 T256 | D194-V201 HydrophobicContact CB-CG2 4.22Å; V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.1Å; V201-Y204 PolarHBondContact O-N 2.9Å; V201-I205 HydrophobicContact CG1-CD1 4.08Å; V201-I205 HydrophobicContact CG1-CG1 4.48Å; V201-I205 WeakPolarHBondContact O-CG1 3.36Å; V201-I205 PolarHBondContact O-N 2.91Å; V201-A247 HydrophobicContact CG1-CB 3.98Å; V201-T256 HydrophobicContact CG2-CG2 4.04Å |
| 202 | S | 94.3 | Very high | 95.1 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 47% | 0.469 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 178.4 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | Q200 Y204 I205 S206 | Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 WeakPolarHBondContact CG-OG 3.39Å; Q200-S202 PolarHBondContact O-N 2.82Å; S202-Y204 VanDerWaalsContact C-N 3.3Å; S202-I205 PolarHBondContact O-N 3.08Å; S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 3.31Å |
| 203 | D | 96.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 180 | -62.4 | 2.7 | 0 | 0 | 0 | 109.8 | P164 Q200 V201 I205 S206 S207 | P164-D203 HydrophobicContact CB-CB 4.01Å; P164-D203 HydrophobicContact CG-CB 4.02Å; P164-D203 CarbonylContact O-C 3.59Å; P164-D203 VanDerWaalsContact O-C 3.23Å; Q200-D203 HydrophobicContact CB-CB 4.1Å; Q200-D203 HydrophobicContact CG-CB 4.15Å; Q200-D203 WeakPolarHBondContact CG-OD2 3.44Å; Q200-D203 PolarHBondContact O-N 3.4Å; V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.1Å; D203-I205 VanDerWaalsContact C-N 3.34Å; D203-I205 PolarHBondContact O-N 2.95Å; D203-S206 PolarHBondContact O-N 3.37Å; D203-S207 PolarHBondContact O-N 3.16Å; D203-S207 PolarHBondContact O-OG 3.03Å |
| 204 | Y | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 178.4 | -148.5 | 168.3 | 0 | 0 | 0 | 112.6 | P164 H166 D185 V186 M192 D194 Q200 V201 S202 S207 C208 Y243 | P164-Y204 PolarHBondContact O-N 2.72Å; H166-Y204 HydrophobicContact CB-CE1 4.34Å; D185-Y204 PolarHBondContact O-OH 3.47Å; V186-Y204 WeakPolarHBondContact O-CE2 3.32Å; V186-Y204 PolarHBondContact O-OH 3.44Å; M192-Y204 HydrophobicContact CB-CE1 4.07Å; M192-Y204 HydrophobicContact CE-CE2 3.58Å; M192-Y204 VanDerWaalsContact CE-OH 3.31Å; M192-Y204 WeakPolarHBondContact CE-OH 3.43Å; D194-Y204 HydrophobicContact CB-CD1 3.76Å; D194-Y204 HydrophobicContact CB-CE1 4.19Å; Q200-Y204 PolarHBondContact O-N 3.43Å; V201-Y204 PolarHBondContact O-N 2.9Å; S202-Y204 VanDerWaalsContact C-N 3.3Å; Y204-S207 PolarHBondContact O-N 2.99Å; Y204-C208 WeakPolarHBondContact O-CB 3.31Å; Y204-C208 PolarHBondContact O-N 3.2Å; Y204-C208 PolarHBondContact O-SG 3.48Å; Y204-Y243 HydrophobicContact CD1-CE1 4.14Å; Y204-Y243 HydrophobicContact CD1-CE2 4.26Å; Y204-Y243 AromaticContact CD1-CZ 3.72Å; Y204-Y243 HydrophobicContact CD2-CE1 4.41Å; Y204-Y243 AromaticContact CG-CE1 3.85Å; Y204-Y243 HydrophobicContact CG-CE1 3.85Å; Y204-Y243 AromaticContact CG-CZ 3.92Å |
| 205 | I | 97.1 | Very high | 96 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 171.4 | -70.8 | 167.4 | 0 | 0 | 0 | 109.7 | V201 S202 D203 S207 C208 E209 Y243 I244 A247 | V201-I205 HydrophobicContact CG1-CD1 4.08Å; V201-I205 HydrophobicContact CG1-CG1 4.48Å; V201-I205 WeakPolarHBondContact O-CG1 3.36Å; V201-I205 PolarHBondContact O-N 2.91Å; S202-I205 PolarHBondContact O-N 3.08Å; D203-I205 VanDerWaalsContact C-N 3.34Å; D203-I205 PolarHBondContact O-N 2.95Å; I205-S207 VanDerWaalsContact C-N 3.34Å; I205-S207 PolarHBondContact O-N 2.69Å; I205-C208 WeakPolarHBondContact O-CB 3.31Å; I205-C208 PolarHBondContact O-N 2.95Å; I205-C208 VanDerWaalsContact O-N 3.11Å; I205-E209 HydrophobicContact CG2-CG 4.49Å; I205-E209 WeakPolarHBondContact O-CG 3.32Å; I205-E209 PolarHBondContact O-N 3.29Å; I205-Y243 HydrophobicContact CG1-CE1 4.1Å; I205-I244 HydrophobicContact CG2-CG1 4.47Å; I205-A247 HydrophobicContact CD1-CB 3.81Å; I205-A247 HydrophobicContact CG1-CB 3.86Å |
| 206 | S | 98 | Very high | 96.3 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 113 | S202 D203 E209 R210 | S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 3.31Å; D203-S206 PolarHBondContact O-N 3.37Å; S206-E209 PolarHBondContact O-N 3.45Å; S206-R210 WeakPolarHBondContact O-CG 3.12Å; S206-R210 PolarHBondContact O-N 3.15Å |
| 207 | S | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 172.8 | -66 | 0 | 0 | 0 | 0 | 111.6 | M163 P164 D203 Y204 I205 R210 L211 | M163-S207 VanDerWaalsContact CA-OG 3.31Å; M163-S207 WeakPolarHBondContact CA-OG 3.44Å; P164-S207 PolarHBondContact O-OG 2.89Å; D203-S207 PolarHBondContact O-N 3.16Å; D203-S207 PolarHBondContact O-OG 3.03Å; Y204-S207 PolarHBondContact O-N 2.99Å; I205-S207 VanDerWaalsContact C-N 3.34Å; I205-S207 PolarHBondContact O-N 2.69Å; S207-R210 PolarHBondContact O-N 2.87Å; S207-L211 WeakPolarHBondContact O-CG 3.2Å; S207-L211 PolarHBondContact O-N 3.12Å |
| 208 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | Y204 I205 R210 L211 V212 A240 Y243 I244 | Y204-C208 WeakPolarHBondContact O-CB 3.31Å; Y204-C208 PolarHBondContact O-N 3.2Å; Y204-C208 PolarHBondContact O-SG 3.48Å; I205-C208 WeakPolarHBondContact O-CB 3.31Å; I205-C208 PolarHBondContact O-N 2.95Å; I205-C208 VanDerWaalsContact O-N 3.11Å; C208-R210 VanDerWaalsContact C-N 3.3Å; C208-R210 PolarHBondContact O-N 3.23Å; C208-L211 WeakPolarHBondContact O-CB 3.42Å; C208-L211 PolarHBondContact O-N 3.05Å; C208-V212 WeakPolarHBondContact O-CG2 3.49Å; C208-V212 PolarHBondContact O-N 3.37Å; C208-A240 HydrophobicContact CB-CB 4.15Å; C208-Y243 HydrophobicContact CB-CD1 4.42Å; C208-Y243 VanDerWaalsContact SG-CD1 3.52Å; C208-I244 HydrophobicContact CB-CD1 3.85Å; C208-I244 HydrophobicContact CB-CG1 3.68Å |
| 209 | E | 98.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 48.8 Ų | 48.8 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 175 | -71.5 | 170.6 | 162 | 0 | 0 | 111 | I205 S206 V212 G213 I244 | I205-E209 HydrophobicContact CG2-CG 4.49Å; I205-E209 WeakPolarHBondContact O-CG 3.32Å; I205-E209 PolarHBondContact O-N 3.29Å; S206-E209 PolarHBondContact O-N 3.45Å; E209-V212 PolarHBondContact O-N 2.79Å; E209-G213 PolarHBondContact O-N 3.42Å; E209-I244 HydrophobicContact CG-CD1 3.78Å; E209-I244 HydrophobicContact CG-CG1 4.48Å |
| 210 | R | 98.7 | Very high | 97.7 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 173.6 | -69.9 | 174.6 | 68.9 | -169.1 | 2.4 | 112.3 | E147 H162 M163 S206 S207 C208 V212 G213 L214 | E147-R210 VanDerWaalsContact CD-NH2 3.26Å; E147-R210 IonicContact OE1-CZ 3.52Å; E147-R210 IonicContact OE1-NH2 3.2Å; E147-R210 PolarHBondContact OE1-NH2 3.34Å; E147-R210 IonicContact OE2-CZ 3.56Å; E147-R210 IonicContact OE2-NH1 3.94Å; E147-R210 IonicContact OE2-NH2 3.36Å; E147-R210 PolarHBondContact OE2-NH2 2.67Å; H162-R210 PolarHBondContact O-NH1 3.46Å; M163-R210 HydrophobicContact CE-CB 3.91Å; M163-R210 HydrophobicContact SD-CB 4.13Å; S206-R210 WeakPolarHBondContact O-CG 3.12Å; S206-R210 PolarHBondContact O-N 3.15Å; S207-R210 PolarHBondContact O-N 2.87Å; C208-R210 VanDerWaalsContact C-N 3.3Å; C208-R210 PolarHBondContact O-N 3.23Å; R210-V212 VanDerWaalsContact C-N 3.33Å; R210-V212 PolarHBondContact O-N 3.47Å; R210-G213 PolarHBondContact O-N 3.01Å; R210-L214 WeakPolarHBondContact O-CG 3.31Å; R210-L214 PolarHBondContact O-N 3.12Å |
| 211 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.5 | -71.7 | 174.2 | 0 | 0 | 0 | 112.1 | L181 V186 V187 S207 C208 G213 L214 V215 L236 A240 | L181-L211 HydrophobicContact CD2-CD2 3.64Å; V186-L211 HydrophobicContact CG1-CD1 4.07Å; V187-L211 HydrophobicContact CB-CD1 3.89Å; V187-L211 HydrophobicContact CG1-CD1 3.81Å; V187-L211 HydrophobicContact CG1-CD2 4.35Å; S207-L211 WeakPolarHBondContact O-CG 3.2Å; S207-L211 PolarHBondContact O-N 3.12Å; C208-L211 WeakPolarHBondContact O-CB 3.42Å; C208-L211 PolarHBondContact O-N 3.05Å; L211-G213 VanDerWaalsContact C-N 3.35Å; L211-L214 HydrophobicContact CD2-CD1 4.48Å; L211-L214 PolarHBondContact O-N 3.11Å; L211-V215 PolarHBondContact O-N 3.25Å; L211-L236 HydrophobicContact CB-CD1 4.25Å; L211-L236 HydrophobicContact CD1-CD1 4.13Å; L211-L236 HydrophobicContact CD2-CD1 4.27Å; L211-L236 HydrophobicContact CG-CD1 4.46Å; L211-A240 HydrophobicContact CB-CB 4.12Å; L211-A240 HydrophobicContact CD1-CB 4.46Å |
| 212 | V | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 110 | C208 E209 R210 L214 V215 D216 A240 I244 | C208-V212 WeakPolarHBondContact O-CG2 3.49Å; C208-V212 PolarHBondContact O-N 3.37Å; E209-V212 PolarHBondContact O-N 2.79Å; R210-V212 VanDerWaalsContact C-N 3.33Å; R210-V212 PolarHBondContact O-N 3.47Å; V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 PolarHBondContact O-N 2.64Å; V212-V215 PolarHBondContact O-N 2.96Å; V212-D216 WeakPolarHBondContact CG1-OD2 3.48Å; V212-D216 PolarHBondContact O-N 2.94Å; V212-A240 HydrophobicContact CG2-CB 3.84Å; V212-I244 HydrophobicContact CG2-CD1 4.45Å |
| 213 | G | 98.7 | Very high | 98.3 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.8 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E209 R210 L211 V215 D216 S217 | E209-G213 PolarHBondContact O-N 3.42Å; R210-G213 PolarHBondContact O-N 3.01Å; L211-G213 VanDerWaalsContact C-N 3.35Å; G213-V215 VanDerWaalsContact C-N 3.34Å; G213-D216 PolarHBondContact O-N 3.35Å; G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 PolarHBondContact O-OG 3.45Å |
| 214 | L | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.8 | -70.5 | 173.9 | 0 | 0 | 0 | 112.3 | L161 M163 R210 L211 V212 S217 E218 Q219 V220 | L161-L214 HydrophobicContact CD1-CD1 3.86Å; M163-L214 HydrophobicContact CE-CD1 4.34Å; R210-L214 WeakPolarHBondContact O-CG 3.31Å; R210-L214 PolarHBondContact O-N 3.12Å; L211-L214 HydrophobicContact CD2-CD1 4.48Å; L211-L214 PolarHBondContact O-N 3.11Å; V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 PolarHBondContact O-N 2.64Å; L214-S217 PolarHBondContact O-OG 3.35Å; L214-E218 PolarHBondContact O-N 3.23Å; L214-Q219 HydrophobicContact CD2-CB 4.19Å; L214-Q219 WeakPolarHBondContact O-CB 3.22Å; L214-Q219 PolarHBondContact O-N 2.86Å; L214-V220 HydrophobicContact CB-CG2 4.07Å; L214-V220 HydrophobicContact CD1-CG2 4.41Å |
| 215 | V | 98.5 | Very high | 98.5 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.6 | -46.6 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | L211 V212 G213 S217 E218 A233 L236 H237 | L211-V215 PolarHBondContact O-N 3.25Å; V212-V215 PolarHBondContact O-N 2.96Å; G213-V215 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 2.92Å; V215-E218 WeakPolarHBondContact O-CA 3.3Å; V215-E218 PolarHBondContact O-N 3.16Å; V215-A233 HydrophobicContact CG1-CB 3.97Å; V215-A233 HydrophobicContact CG2-CB 4.31Å; V215-L236 HydrophobicContact CG2-CB 4.09Å; V215-L236 HydrophobicContact CG2-CD2 3.46Å; V215-L236 VanDerWaalsContact CG2-CD2 3.46Å; V215-L236 HydrophobicContact CG2-CG 3.71Å; V215-H237 HydrophobicContact CB-CB 4.38Å; V215-H237 HydrophobicContact CG1-CB 3.99Å; V215-H237 HydrophobicContact CG2-CB 4.44Å |
| 216 | D | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 43.9 Ų | 43.9 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.5 | -29.3 | -177.2 | -71.1 | -10.5 | 0 | 0 | 0 | 112.7 | V212 G213 E218 H237 | V212-D216 WeakPolarHBondContact CG1-OD2 3.48Å; V212-D216 PolarHBondContact O-N 2.94Å; G213-D216 PolarHBondContact O-N 3.35Å; D216-E218 VanDerWaalsContact C-N 3.3Å; D216-H237 IonicContact OD1-CD2 3.99Å; D216-H237 PolarHBondContact OD1-CD2 3.2Å; D216-H237 IonicContact OD1-NE2 2.97Å |
| 217 | S | 98.4 | Very high | 98.5 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 41% | 0.413 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10.8 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | G213 L214 V215 Q219 | G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 PolarHBondContact O-OG 3.45Å; L214-S217 PolarHBondContact O-OG 3.35Å; V215-S217 PolarHBondContact O-N 2.92Å; S217-Q219 PolarHBondContact O-N 2.94Å; S217-Q219 PolarHBondContact OG-NE2 3.35Å |
| 218 | E | 98.3 | Very high | 98.4 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.1 | 177.7 | -54.7 | -176.8 | 176.8 | 0 | 0 | 113.9 | K179 L214 V215 D216 | K179-E218 WeakPolarHBondContact CD-O 3.34Å; K179-E218 WeakPolarHBondContact CE-O 2.98Å; K179-E218 PolarHBondContact NZ-O 3.12Å; L214-E218 PolarHBondContact O-N 3.23Å; V215-E218 WeakPolarHBondContact O-CA 3.3Å; V215-E218 PolarHBondContact O-N 3.16Å; D216-E218 VanDerWaalsContact C-N 3.3Å |
| 219 | Q | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | trans | -86.4 | -14.3 | -179.9 | -68.7 | -175.2 | 70.5 | 0 | 0 | 113.3 | H174 K179 L214 S217 | H174-Q219 PolarHBondContact NE2-O 3.37Å; K179-Q219 WeakPolarHBondContact CA-O 3.16Å; L214-Q219 HydrophobicContact CD2-CB 4.19Å; L214-Q219 WeakPolarHBondContact O-CB 3.22Å; L214-Q219 PolarHBondContact O-N 2.86Å; S217-Q219 PolarHBondContact O-N 2.94Å; S217-Q219 PolarHBondContact OG-NE2 3.35Å | ||
| 220 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -134.7 | 121.4 | -179.5 | 176 | 0 | 0 | 0 | 0 | 109.6 | K179 L181 L214 V223 A233 L236 | K179-V220 WeakPolarHBondContact O-CA 3.44Å; L181-V220 HydrophobicContact CB-CG1 3.83Å; L181-V220 HydrophobicContact CB-CG2 4.04Å; L181-V220 HydrophobicContact CD2-CG2 4.49Å; L214-V220 HydrophobicContact CB-CG2 4.07Å; L214-V220 HydrophobicContact CD1-CG2 4.41Å; V220-V223 HydrophobicContact CG1-CG2 4.15Å; V220-A233 WeakPolarHBondContact O-CB 3.02Å; V220-L236 HydrophobicContact CB-CD2 4.49Å; V220-L236 HydrophobicContact CG1-CD2 3.95Å | ||
| 221 | D | 98.2 | Very high | 98.3 | Very high | 91 Ų | 91 | 46.6 Ų | 46.6 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -103.5 | -34.9 | 173.6 | -74.8 | -17.4 | 0 | 0 | 0 | 111.3 | K179 G232 A233 | K179-D221 HydrophobicContact CB-CB 4.06Å; K179-D221 VanDerWaalsContact CD-OD2 3.25Å; K179-D221 WeakPolarHBondContact CD-OD2 3.17Å; K179-D221 PolarHBondContact O-N 3.38Å; D221-G232 CarbonylContact O-C 3.53Å; D221-G232 VanDerWaalsContact O-CA 3.23Å; D221-G232 WeakPolarHBondContact O-CA 3.44Å; D221-A233 PolarHBondContact O-N 3.5Å |
| 222 | Q | 98.4 | Very high | 98.2 | Very high | 85 Ų | 85 | 48.3 Ų | 48.3 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.5 | -174.9 | -172.1 | 161.6 | 10.3 | 0 | 0 | 112.7 | K179 M180 L181 M224 | K179-Q222 PolarHBondContact O-N 3.48Å; M180-Q222 WeakPolarHBondContact CA-O 3.11Å; M180-Q222 HydrophobicContact CG-CB 4.42Å; L181-Q222 PolarHBondContact N-O 3.2Å; Q222-M224 HydrophobicContact CG-SD 4.03Å |
| 223 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.2 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | L181 S183 V187 V220 P225 T230 F231 L236 | L181-V223 WeakPolarHBondContact O-CA 3.41Å; S183-V223 VanDerWaalsContact OG-CG1 3.26Å; S183-V223 WeakPolarHBondContact OG-CG1 2.97Å; V187-V223 HydrophobicContact CG1-CG1 4.44Å; V220-V223 HydrophobicContact CG1-CG2 4.15Å; V223-P225 VanDerWaalsContact O-CD 3.25Å; V223-P225 WeakPolarHBondContact O-CD 3.49Å; V223-T230 VanDerWaalsContact O-CA 3.3Å; V223-T230 WeakPolarHBondContact O-CA 3.33Å; V223-T230 WeakPolarHBondContact O-CB 3.24Å; V223-F231 HydrophobicContact CB-CD1 4.37Å; V223-F231 HydrophobicContact CB-CD2 4.06Å; V223-F231 HydrophobicContact CB-CE1 4Å; V223-F231 HydrophobicContact CB-CE2 3.7Å; V223-F231 HydrophobicContact CB-CG 4.39Å; V223-F231 HydrophobicContact CB-CZ 3.67Å; V223-F231 HydrophobicContact CG1-CE1 3.83Å; V223-F231 HydrophobicContact CG1-CE2 3.99Å; V223-F231 HydrophobicContact CG1-CZ 3.47Å; V223-F231 VanDerWaalsContact CG1-CZ 3.47Å; V223-F231 HydrophobicContact CG2-CD2 4.1Å; V223-F231 HydrophobicContact CG2-CE2 3.64Å; V223-F231 HydrophobicContact CG2-CZ 4.03Å; V223-F231 PolarHBondContact N-O 3.2Å; V223-F231 PolarHBondContact O-N 3.11Å; V223-L236 HydrophobicContact CG2-CB 4.04Å; V223-L236 HydrophobicContact CG2-CD1 4.42Å; V223-L236 HydrophobicContact CG2-CD2 3.75Å; V223-L236 HydrophobicContact CG2-CG 4.29Å |
| 224 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 82.2 | 177.7 | -47 | -58.4 | -61.7 | 0 | 0 | 107.9 | L12 L16 W33 M180 L181 F182 S183 Q222 T230 | L12-M224 HydrophobicContact CD1-CE 3.58Å; L16-M224 HydrophobicContact CD2-CE 3.85Å; W33-M224 HydrophobicContact CD2-CB 4.15Å; W33-M224 HydrophobicContact CD2-CE 4.22Å; W33-M224 HydrophobicContact CE3-CE 3.57Å; W33-M224 HydrophobicContact CH2-CB 4.43Å; W33-M224 HydrophobicContact CH2-CE 3.58Å; W33-M224 HydrophobicContact CZ2-CB 3.95Å; W33-M224 HydrophobicContact CZ2-CE 4.2Å; W33-M224 HydrophobicContact CZ3-CE 3.2Å; W33-M224 PolarHBondContact NE1-O 3.37Å; M180-M224 HydrophobicContact SD-SD 4.49Å; L181-M224 PolarHBondContact O-N 3.32Å; F182-M224 WeakPolarHBondContact CA-O 3.43Å; F182-M224 HydrophobicContact CD1-CB 3.37Å; F182-M224 HydrophobicContact CD1-CG 3.83Å; F182-M224 HydrophobicContact CE1-CB 3.59Å; F182-M224 HydrophobicContact CE1-CG 3.58Å; F182-M224 HydrophobicContact CG-CB 4.03Å; F182-M224 HydrophobicContact CG-CG 4.38Å; F182-M224 HydrophobicContact CZ-CB 4.4Å; F182-M224 HydrophobicContact CZ-CG 3.94Å; S183-M224 PolarHBondContact N-O 3.32Å; Q222-M224 HydrophobicContact CG-SD 4.03Å; M224-T230 HydrophobicContact CE-CG2 3.61Å; M224-T230 HydrophobicContact SD-CG2 3.73Å |
| 225 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 163.9 | -167 | 30.2 | -36.6 | 0 | 0 | 0 | 114.1 | N31 W33 S183 V223 H227 H229 F231 | N31-P225 VanDerWaalsContact CB-O 3.3Å; N31-P225 WeakPolarHBondContact CB-O 3.16Å; N31-P225 PolarHBondContact ND2-O 3.19Å; W33-P225 WeakPolarHBondContact CZ2-O 3.33Å; W33-P225 PolarHBondContact NE1-O 3.25Å; W33-P225 VanDerWaalsContact NE1-O 3.16Å; S183-P225 WeakPolarHBondContact OG-CA 3.31Å; V223-P225 VanDerWaalsContact O-CD 3.25Å; V223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-H227 VanDerWaalsContact C-N 3.29Å; P225-H227 VanDerWaalsContact CB-O 3.32Å; P225-H227 WeakPolarHBondContact CB-O 3.24Å; P225-H227 WeakPolarHBondContact CG-O 3.21Å; P225-H229 WeakPolarHBondContact CG-O 3.49Å; P225-F231 HydrophobicContact CB-CE1 3.96Å; P225-F231 HydrophobicContact CG-CD1 4.29Å; P225-F231 HydrophobicContact CG-CE1 3.93Å |
| 226 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -63.3 | -33.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | A30 N31 G184 | A30-G226 CarbonylContact C-O 3.58Å; A30-G226 VanDerWaalsContact CA-O 3.22Å; A30-G226 WeakPolarHBondContact CA-O 3.09Å; N31-G226 PolarHBondContact N-O 3.41Å; G184-G226 WeakPolarHBondContact O-CA 3.25Å; G184-G226 PolarHBondContact O-N 2.97Å |
| 227 | H | 97.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -133.8 | 164.1 | 178.4 | -60.7 | -67.3 | 0 | 0 | 0 | 112.7 | N28 R29 D83 H84 D185 Y188 P225 | N28-H227 PolarHBondContact O-CE1 3.09Å; R29-H227 PolarHBondContact O-ND1 3Å; D83-H227 IonicContact OD2-CE1 3.01Å; D83-H227 PolarHBondContact OD2-CE1 2.83Å; D83-H227 IonicContact OD2-NE2 3.47Å; H84-H227 AromaticContact NE2-CE1 3.77Å; H84-H227 AromaticContact NE2-NE2 3.47Å; H84-H227 PolarHBondContact NE2-NE2 3.44Å; D185-H227 IonicContact OD1-CD2 3.84Å; D185-H227 PolarHBondContact OD1-CD2 2.99Å; D185-H227 IonicContact OD1-NE2 3.39Å; D185-H227 PolarHBondContact OD1-NE2 3.05Å; D185-H227 IonicContact OD2-CD2 2.67Å; D185-H227 PolarHBondContact OD2-CD2 3.01Å; D185-H227 IonicContact OD2-NE2 3.68Å; D185-H227 PolarHBondContact OD2-NE2 2.94Å; D185-H227 VanDerWaalsContact OD2-NE2 3.15Å; Y188-H227 HydrophobicContact CG-CB 4.29Å; P225-H227 VanDerWaalsContact C-N 3.29Å; P225-H227 VanDerWaalsContact CB-O 3.32Å; P225-H227 WeakPolarHBondContact CB-O 3.24Å; P225-H227 WeakPolarHBondContact CG-O 3.21Å |
| 228 | Y | 96.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 57 Ų | 57 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 61.5 | -157.1 | 177.6 | -49.9 | -78.7 | 0 | 0 | 0 | 113.5 | N31 Y188 | N31-Y228 PolarHBondContact ND2-O 3.04Å; Y188-Y228 AromaticContact CD2-CD2 3.66Å; Y188-Y228 HydrophobicContact CD2-CD2 3.66Å; Y188-Y228 AromaticContact CD2-CE2 3.56Å; Y188-Y228 HydrophobicContact CD2-CE2 3.56Å; Y188-Y228 HydrophobicContact CE2-CD2 4.45Å; Y188-Y228 AromaticContact CE2-CE2 3.9Å; Y188-Y228 HydrophobicContact CE2-CE2 3.9Å; Y188-Y228 HydrophobicContact CG-CD2 4.27Å; Y188-Y228 HydrophobicContact CG-CE2 4.49Å |
| 229 | H | 96.6 | Very high | 98.2 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | trans | -89.1 | 154.8 | -176.9 | -64.4 | -63.4 | 0 | 0 | 0 | 112 | W18 P225 F231 | W18-H229 AromaticContact CH2-ND1 3.84Å; P225-H229 WeakPolarHBondContact CG-O 3.49Å; H229-F231 WeakPolarHBondContact O-CD1 3.46Å | ||
| 230 | T | 98.1 | Very high | 98.2 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | trans | -59.2 | 144.7 | 168.4 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | W33 V223 M224 | W33-T230 HydrophobicContact CH2-CG2 3.69Å; W33-T230 HydrophobicContact CZ2-CG2 4.41Å; W33-T230 HydrophobicContact CZ3-CG2 4.38Å; V223-T230 VanDerWaalsContact O-CA 3.3Å; V223-T230 WeakPolarHBondContact O-CA 3.33Å; V223-T230 WeakPolarHBondContact O-CB 3.24Å; M224-T230 HydrophobicContact CE-CG2 3.61Å; M224-T230 HydrophobicContact SD-CG2 3.73Å | ||
| 231 | F | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.9 | 179.3 | 57.4 | -86.6 | 0 | 0 | 0 | 111.3 | V187 D189 V223 P225 H229 Q235 L236 I239 | V187-F231 HydrophobicContact CG2-CZ 4.15Å; D189-F231 HydrophobicContact CB-CD1 4.01Å; D189-F231 HydrophobicContact CB-CE1 4.38Å; V223-F231 HydrophobicContact CB-CD1 4.37Å; V223-F231 HydrophobicContact CB-CD2 4.06Å; V223-F231 HydrophobicContact CB-CE1 4Å; V223-F231 HydrophobicContact CB-CE2 3.7Å; V223-F231 HydrophobicContact CB-CG 4.39Å; V223-F231 HydrophobicContact CB-CZ 3.67Å; V223-F231 HydrophobicContact CG1-CE1 3.83Å; V223-F231 HydrophobicContact CG1-CE2 3.99Å; V223-F231 HydrophobicContact CG1-CZ 3.47Å; V223-F231 VanDerWaalsContact CG1-CZ 3.47Å; V223-F231 HydrophobicContact CG2-CD2 4.1Å; V223-F231 HydrophobicContact CG2-CE2 3.64Å; V223-F231 HydrophobicContact CG2-CZ 4.03Å; V223-F231 PolarHBondContact N-O 3.2Å; V223-F231 PolarHBondContact O-N 3.11Å; P225-F231 HydrophobicContact CB-CE1 3.96Å; P225-F231 HydrophobicContact CG-CD1 4.29Å; P225-F231 HydrophobicContact CG-CE1 3.93Å; H229-F231 WeakPolarHBondContact O-CD1 3.46Å; F231-Q235 HydrophobicContact CB-CB 4.13Å; F231-Q235 HydrophobicContact CB-CG 4.1Å; F231-Q235 HydrophobicContact CD2-CB 3.83Å; F231-Q235 HydrophobicContact CD2-CG 3.87Å; F231-Q235 HydrophobicContact CG-CB 4.31Å; F231-Q235 HydrophobicContact CG-CG 4.11Å; F231-L236 HydrophobicContact CD2-CB 4.38Å; F231-L236 HydrophobicContact CE2-CB 3.87Å; F231-L236 HydrophobicContact CE2-CD1 4.39Å; F231-I239 HydrophobicContact CE2-CD1 4.16Å; F231-I239 HydrophobicContact CZ-CD1 4.31Å |
| 232 | G | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 170.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D221 K234 Q235 L236 | D221-G232 CarbonylContact O-C 3.53Å; D221-G232 VanDerWaalsContact O-CA 3.23Å; D221-G232 WeakPolarHBondContact O-CA 3.44Å; G232-K234 VanDerWaalsContact C-N 3.26Å; G232-K234 PolarHBondContact O-N 3.29Å; G232-K234 VanDerWaalsContact O-N 3.12Å; G232-Q235 PolarHBondContact O-N 3.38Å; G232-L236 PolarHBondContact O-N 3.25Å; G232-L236 VanDerWaalsContact O-N 3.11Å |
| 233 | A | 98.3 | Very high | 97.9 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -47.3 | -41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V215 V220 D221 Q235 L236 H237 | V215-A233 HydrophobicContact CG1-CB 3.97Å; V215-A233 HydrophobicContact CG2-CB 4.31Å; V220-A233 WeakPolarHBondContact O-CB 3.02Å; D221-A233 PolarHBondContact O-N 3.5Å; A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.3Å; A233-L236 WeakPolarHBondContact O-CB 3.35Å; A233-L236 PolarHBondContact O-N 3.42Å; A233-H237 PolarHBondContact O-N 2.6Å |
| 234 | K | 98.3 | Very high | 97.7 | Very high | 168 Ų | 168 | 44.4 Ų | 44.4 | 73% | 0.73 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.5 | -39.5 | 178.4 | -176.6 | 176.4 | -178.7 | 174.9 | 0 | 112.7 | G232 R238 | G232-K234 VanDerWaalsContact C-N 3.26Å; G232-K234 PolarHBondContact O-N 3.29Å; G232-K234 VanDerWaalsContact O-N 3.12Å; K234-R238 WeakPolarHBondContact O-CB 3.38Å; K234-R238 PolarHBondContact O-N 3.39Å; K234-R238 VanDerWaalsContact O-N 3.16Å |
| 235 | Q | 98.6 | Very high | 97.4 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 177.4 | -178 | 63 | 11.7 | 0 | 0 | 110.3 | D189 F231 G232 A233 R238 I239 | D189-Q235 PolarHBondContact OD1-NE2 3.02Å; F231-Q235 HydrophobicContact CB-CB 4.13Å; F231-Q235 HydrophobicContact CB-CG 4.1Å; F231-Q235 HydrophobicContact CD2-CB 3.83Å; F231-Q235 HydrophobicContact CD2-CG 3.87Å; F231-Q235 HydrophobicContact CG-CB 4.31Å; F231-Q235 HydrophobicContact CG-CG 4.11Å; G232-Q235 PolarHBondContact O-N 3.38Å; A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.3Å; Q235-R238 PolarHBondContact O-N 3.2Å; Q235-I239 HydrophobicContact CG-CD1 3.78Å; Q235-I239 HydrophobicContact CG-CG1 4.39Å; Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.45Å; Q235-I239 PolarHBondContact O-N 2.86Å |
| 236 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -54.8 | 171.9 | 174.3 | 55.4 | 0 | 0 | 0 | 111.7 | L181 V187 L211 V215 V220 V223 F231 G232 A233 R238 I239 A240 | L181-L236 HydrophobicContact CD2-CD2 4.35Å; V187-L236 HydrophobicContact CB-CD1 4.23Å; V187-L236 HydrophobicContact CG1-CD1 3.6Å; V187-L236 HydrophobicContact CG2-CD1 3.8Å; L211-L236 HydrophobicContact CB-CD1 4.25Å; L211-L236 HydrophobicContact CD1-CD1 4.13Å; L211-L236 HydrophobicContact CD2-CD1 4.27Å; L211-L236 HydrophobicContact CG-CD1 4.46Å; V215-L236 HydrophobicContact CG2-CB 4.09Å; V215-L236 HydrophobicContact CG2-CD2 3.46Å; V215-L236 VanDerWaalsContact CG2-CD2 3.46Å; V215-L236 HydrophobicContact CG2-CG 3.71Å; V220-L236 HydrophobicContact CB-CD2 4.49Å; V220-L236 HydrophobicContact CG1-CD2 3.95Å; V223-L236 HydrophobicContact CG2-CB 4.04Å; V223-L236 HydrophobicContact CG2-CD1 4.42Å; V223-L236 HydrophobicContact CG2-CD2 3.75Å; V223-L236 HydrophobicContact CG2-CG 4.29Å; F231-L236 HydrophobicContact CD2-CB 4.38Å; F231-L236 HydrophobicContact CE2-CB 3.87Å; F231-L236 HydrophobicContact CE2-CD1 4.39Å; G232-L236 PolarHBondContact O-N 3.25Å; G232-L236 VanDerWaalsContact O-N 3.11Å; A233-L236 WeakPolarHBondContact O-CB 3.35Å; A233-L236 PolarHBondContact O-N 3.42Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.82Å; L236-I239 PolarHBondContact O-N 2.92Å; L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.38Å |
| 237 | H | 98.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 30% | 0.296 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 178.3 | -176.7 | -48.9 | 0 | 0 | 0 | 111.3 | V215 D216 A233 I239 S241 | V215-H237 HydrophobicContact CB-CB 4.38Å; V215-H237 HydrophobicContact CG1-CB 3.99Å; V215-H237 HydrophobicContact CG2-CB 4.44Å; D216-H237 IonicContact OD1-CD2 3.99Å; D216-H237 PolarHBondContact OD1-CD2 3.2Å; D216-H237 IonicContact OD1-NE2 2.97Å; A233-H237 PolarHBondContact O-N 2.6Å; H237-I239 PolarHBondContact O-N 2.93Å; H237-S241 PolarHBondContact CE1-OG 3.48Å; H237-S241 PolarHBondContact ND1-OG 2.96Å; H237-S241 WeakPolarHBondContact O-CB 3.08Å; H237-S241 PolarHBondContact O-N 3.3Å; H237-S241 PolarHBondContact O-OG 3.49Å |
| 238 | R | 98.4 | Very high | 94.8 | Very high | 150 Ų | 150 | 59.8 Ų | 59.8 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 178.1 | -178.6 | -171.5 | -66.9 | 158.8 | -9.3 | 112.3 | K234 Q235 L236 G242 | K234-R238 WeakPolarHBondContact O-CB 3.38Å; K234-R238 PolarHBondContact O-N 3.39Å; K234-R238 VanDerWaalsContact O-N 3.16Å; Q235-R238 PolarHBondContact O-N 3.2Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.82Å; R238-G242 PolarHBondContact O-N 3.19Å |
| 239 | I | 98.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.9 | -49.7 | -178.6 | -65.6 | 161.2 | 0 | 0 | 0 | 110 | V187 M192 F231 Q235 L236 H237 G242 Y243 | V187-I239 HydrophobicContact CG2-CB 4.24Å; V187-I239 HydrophobicContact CG2-CD1 4.46Å; V187-I239 HydrophobicContact CG2-CG2 3.78Å; M192-I239 HydrophobicContact CE-CG2 4.25Å; M192-I239 HydrophobicContact CG-CG2 4Å; M192-I239 HydrophobicContact SD-CG2 3.7Å; F231-I239 HydrophobicContact CE2-CD1 4.16Å; F231-I239 HydrophobicContact CZ-CD1 4.31Å; Q235-I239 HydrophobicContact CG-CD1 3.78Å; Q235-I239 HydrophobicContact CG-CG1 4.39Å; Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.45Å; Q235-I239 PolarHBondContact O-N 2.86Å; L236-I239 PolarHBondContact O-N 2.92Å; H237-I239 PolarHBondContact O-N 2.93Å; I239-G242 PolarHBondContact O-N 3.02Å; I239-Y243 PolarHBondContact O-N 3.16Å |
| 240 | A | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -50.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C208 L211 V212 L236 G242 Y243 I244 | C208-A240 HydrophobicContact CB-CB 4.15Å; L211-A240 HydrophobicContact CB-CB 4.12Å; L211-A240 HydrophobicContact CD1-CB 4.46Å; V212-A240 HydrophobicContact CG2-CB 3.84Å; L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.38Å; A240-G242 VanDerWaalsContact C-N 3.32Å; A240-G242 PolarHBondContact O-N 3.17Å; A240-Y243 PolarHBondContact O-N 3.42Å; A240-I244 WeakPolarHBondContact O-CG1 3.28Å; A240-I244 PolarHBondContact O-N 3.38Å; A240-I244 VanDerWaalsContact O-N 3.11Å |
| 241 | S | 97.2 | Very high | 89.9 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | H237 Y243 I244 D245 | H237-S241 PolarHBondContact CE1-OG 3.48Å; H237-S241 PolarHBondContact ND1-OG 2.96Å; H237-S241 WeakPolarHBondContact O-CB 3.08Å; H237-S241 PolarHBondContact O-N 3.3Å; H237-S241 PolarHBondContact O-OG 3.49Å; S241-Y243 VanDerWaalsContact C-N 3.26Å; S241-Y243 PolarHBondContact O-N 3.21Å; S241-I244 PolarHBondContact O-N 3.02Å; S241-D245 PolarHBondContact O-N 2.79Å |
| 242 | G | 96.4 | Very high | 88.2 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -29.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R238 I239 A240 K246 | R238-G242 PolarHBondContact O-N 3.19Å; I239-G242 PolarHBondContact O-N 3.02Å; A240-G242 VanDerWaalsContact C-N 3.32Å; A240-G242 PolarHBondContact O-N 3.17Å; G242-K246 WeakPolarHBondContact O-CD 3.4Å; G242-K246 VanDerWaalsContact O-CG 3.27Å; G242-K246 WeakPolarHBondContact O-CG 3.45Å; G242-K246 PolarHBondContact O-N 3Å |
| 243 | Y | 95.7 | Very high | 86.4 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 8% | 0.078 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.8 | -48 | 171.7 | -179.2 | -95.8 | 0 | 0 | 0 | 111.2 | M192 D194 Y204 I205 C208 I239 A240 S241 D245 K246 A247 | M192-Y243 HydrophobicContact CB-CD2 3.69Å; M192-Y243 HydrophobicContact CB-CE2 4.06Å; M192-Y243 HydrophobicContact CB-CG 4.46Å; M192-Y243 HydrophobicContact CG-CD2 4.08Å; M192-Y243 HydrophobicContact CG-CG 4.46Å; D194-Y243 HydrophobicContact CB-CE2 4.36Å; D194-Y243 VanDerWaalsContact CB-OH 3.31Å; D194-Y243 WeakPolarHBondContact CB-OH 3.3Å; D194-Y243 WeakPolarHBondContact OD2-CE2 3.36Å; D194-Y243 PolarHBondContact OD2-OH 2.79Å; Y204-Y243 HydrophobicContact CD1-CE1 4.14Å; Y204-Y243 HydrophobicContact CD1-CE2 4.26Å; Y204-Y243 AromaticContact CD1-CZ 3.72Å; Y204-Y243 HydrophobicContact CD2-CE1 4.41Å; Y204-Y243 AromaticContact CG-CE1 3.85Å; Y204-Y243 HydrophobicContact CG-CE1 3.85Å; Y204-Y243 AromaticContact CG-CZ 3.92Å; I205-Y243 HydrophobicContact CG1-CE1 4.1Å; C208-Y243 HydrophobicContact CB-CD1 4.42Å; C208-Y243 VanDerWaalsContact SG-CD1 3.52Å; I239-Y243 PolarHBondContact O-N 3.16Å; A240-Y243 PolarHBondContact O-N 3.42Å; S241-Y243 VanDerWaalsContact C-N 3.26Å; S241-Y243 PolarHBondContact O-N 3.21Å; Y243-D245 VanDerWaalsContact C-N 3.31Å; Y243-D245 PolarHBondContact O-N 3.38Å; Y243-K246 PolarHBondContact O-N 2.99Å; Y243-K246 VanDerWaalsContact O-N 3.12Å; Y243-A247 HydrophobicContact CD1-CB 4.27Å; Y243-A247 HydrophobicContact CE1-CB 3.86Å; Y243-A247 HydrophobicContact CE2-CB 4.49Å; Y243-A247 VanDerWaalsContact O-CB 3.3Å; Y243-A247 WeakPolarHBondContact O-CB 3.27Å; Y243-A247 PolarHBondContact O-N 3.38Å |
| 244 | I | 94.8 | Very high | 84.5 | Confident | 42 Ų | 42 | 70 Ų | 70 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.6 | -49.2 | 178.2 | -65 | 164.2 | 0 | 0 | 0 | 110.6 | I205 C208 E209 V212 A240 S241 K246 A247 G248 | I205-I244 HydrophobicContact CG2-CG1 4.47Å; C208-I244 HydrophobicContact CB-CD1 3.85Å; C208-I244 HydrophobicContact CB-CG1 3.68Å; E209-I244 HydrophobicContact CG-CD1 3.78Å; E209-I244 HydrophobicContact CG-CG1 4.48Å; V212-I244 HydrophobicContact CG2-CD1 4.45Å; A240-I244 WeakPolarHBondContact O-CG1 3.28Å; A240-I244 PolarHBondContact O-N 3.38Å; A240-I244 VanDerWaalsContact O-N 3.11Å; S241-I244 PolarHBondContact O-N 3.02Å; I244-K246 VanDerWaalsContact C-N 3.29Å; I244-K246 PolarHBondContact O-N 3.37Å; I244-A247 PolarHBondContact O-N 2.97Å; I244-G248 PolarHBondContact O-N 2.98Å |
| 245 | D | 92.8 | Very high | 83 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.9 | -37.9 | -179.5 | -70.4 | -19.9 | 0 | 0 | 0 | 112.7 | S241 Y243 | S241-D245 PolarHBondContact O-N 2.79Å; Y243-D245 VanDerWaalsContact C-N 3.31Å; Y243-D245 PolarHBondContact O-N 3.38Å |
| 246 | K | 89 | Confident | 81.7 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 65% | 0.648 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -81 | -43 | -177.7 | -71.8 | 173.7 | -173.9 | 173.6 | 0 | 112.6 | G242 Y243 I244 G248 T249 | G242-K246 WeakPolarHBondContact O-CD 3.4Å; G242-K246 VanDerWaalsContact O-CG 3.27Å; G242-K246 WeakPolarHBondContact O-CG 3.45Å; G242-K246 PolarHBondContact O-N 3Å; Y243-K246 PolarHBondContact O-N 2.99Å; Y243-K246 VanDerWaalsContact O-N 3.12Å; I244-K246 VanDerWaalsContact C-N 3.29Å; I244-K246 PolarHBondContact O-N 3.37Å; K246-G248 PolarHBondContact O-N 3.27Å; K246-T249 WeakPolarHBondContact O-CB 3.44Å; K246-T249 PolarHBondContact O-N 3.43Å; K246-T249 PolarHBondContact O-OG1 3Å |
| 247 | A | 82.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.9 | -22.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V201 I205 Y243 I244 T249 | V201-A247 HydrophobicContact CG1-CB 3.98Å; I205-A247 HydrophobicContact CD1-CB 3.81Å; I205-A247 HydrophobicContact CG1-CB 3.86Å; Y243-A247 HydrophobicContact CD1-CB 4.27Å; Y243-A247 HydrophobicContact CE1-CB 3.86Å; Y243-A247 HydrophobicContact CE2-CB 4.49Å; Y243-A247 VanDerWaalsContact O-CB 3.3Å; Y243-A247 WeakPolarHBondContact O-CB 3.27Å; Y243-A247 PolarHBondContact O-N 3.38Å; I244-A247 PolarHBondContact O-N 2.97Å; A247-T249 PolarHBondContact O-N 2.94Å |
| 248 | G | 67.7 | Low | 79.2 | Confident | 51 Ų | 51 | 69 Ų | 69 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I244 K246 | I244-G248 PolarHBondContact O-N 2.98Å; K246-G248 PolarHBondContact O-N 3.27Å |
| 249 | T | 69.5 | Low | 78.2 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -90.5 | 139.3 | -173.7 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | K246 A247 A252 | K246-T249 WeakPolarHBondContact O-CB 3.44Å; K246-T249 PolarHBondContact O-N 3.43Å; K246-T249 PolarHBondContact O-OG1 3Å; A247-T249 PolarHBondContact O-N 2.94Å; T249-A252 PolarHBondContact O-N 3.46Å |
| 250 | C | 58.1 | Low | 77.4 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 57% | 0.568 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | -178.4 | -157.1 | 0 | 0 | 0 | 0 | 114.4 | A252 R253 F254 | C250-A252 VanDerWaalsContact C-N 3.32Å; C250-A252 PolarHBondContact O-N 3.28Å; C250-R253 PolarHBondContact O-N 3.39Å; C250-F254 WeakPolarHBondContact O-CD2 3.27Å |
| 251 | P | 61.5 | Low | 76.4 | Confident | 99 Ų | 99 | 74.8 Ų | 74.8 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.9 | -34.9 | 179 | -21.9 | 33.7 | 0 | 0 | 0 | 113.7 | S255 | P251-S255 PolarHBondContact O-N 3.22Å |
| 252 | A | 62.6 | Low | 75.6 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T249 C250 F254 S255 T256 | T249-A252 PolarHBondContact O-N 3.46Å; C250-A252 VanDerWaalsContact C-N 3.32Å; C250-A252 PolarHBondContact O-N 3.28Å; A252-F254 PolarHBondContact O-N 2.93Å; A252-S255 WeakPolarHBondContact O-CB 3.45Å; A252-S255 PolarHBondContact O-N 3.36Å; A252-T256 PolarHBondContact O-N 3.49Å; A252-T256 PolarHBondContact O-OG1 2.8Å; A252-T256 VanDerWaalsContact O-OG1 3.06Å |
| 253 | R | 61.1 | Low | 74.8 | Confident | 149 Ų | 149 | 77.5 Ų | 77.5 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | -178.2 | -65.9 | -176.9 | 178.1 | -168.7 | -2.6 | 113.5 | C250 F257 | C250-R253 PolarHBondContact O-N 3.39Å; R253-F257 PolarHBondContact O-N 3.48Å |
| 254 | F | 58.7 | Low | 74 | Confident | 153 Ų | 153 | 77 Ų | 77 | 67% | 0.671 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 176.8 | -78.2 | -75.3 | 0 | 0 | 0 | 112.3 | C250 A252 F257 A258 | C250-F254 WeakPolarHBondContact O-CD2 3.27Å; A252-F254 PolarHBondContact O-N 2.93Å; F254-F257 PolarHBondContact O-N 2.72Å; F254-A258 PolarHBondContact O-N 2.89Å |
| 255 | S | 65.3 | Low | 73.3 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 175.3 | 162.9 | 0 | 0 | 0 | 0 | 111.3 | P251 A252 F257 A258 W259 | P251-S255 PolarHBondContact O-N 3.22Å; A252-S255 WeakPolarHBondContact O-CB 3.45Å; A252-S255 PolarHBondContact O-N 3.36Å; S255-F257 VanDerWaalsContact C-N 3.3Å; S255-F257 PolarHBondContact O-N 2.74Å; S255-A258 PolarHBondContact O-N 3.02Å; S255-W259 PolarHBondContact O-N 3.26Å |
| 256 | T | 72.1 | Confident | 72.7 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 10% | 0.104 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 180 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | D194 W195 V201 A252 W259 R260 | D194-T256 WeakPolarHBondContact O-CG2 3.41Å; D194-T256 WeakPolarHBondContact OD1-CG2 3.37Å; D194-T256 PolarHBondContact OD1-OG1 3.07Å; W195-T256 HydrophobicContact CB-CG2 3.87Å; V201-T256 HydrophobicContact CG2-CG2 4.04Å; A252-T256 PolarHBondContact O-N 3.49Å; A252-T256 PolarHBondContact O-OG1 2.8Å; A252-T256 VanDerWaalsContact O-OG1 3.06Å; T256-W259 PolarHBondContact O-N 3.08Å; T256-R260 WeakPolarHBondContact O-CB 3.37Å; T256-R260 PolarHBondContact O-N 2.9Å |
| 257 | F | 69.9 | Low | 72.4 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 55% | 0.553 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 177.9 | -176.9 | -97.6 | 0 | 0 | 0 | 113.2 | R253 F254 S255 R260 T261 | R253-F257 PolarHBondContact O-N 3.48Å; F254-F257 PolarHBondContact O-N 2.72Å; S255-F257 VanDerWaalsContact C-N 3.3Å; S255-F257 PolarHBondContact O-N 2.74Å; F257-R260 PolarHBondContact O-N 3.01Å; F257-T261 PolarHBondContact O-N 3.45Å; F257-T261 VanDerWaalsContact O-N 3.08Å; F257-T261 PolarHBondContact O-OG1 3.31Å |
| 258 | A | 74 | Confident | 72.3 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F254 S255 R260 T261 L262 | F254-A258 PolarHBondContact O-N 2.89Å; S255-A258 PolarHBondContact O-N 3.02Å; A258-R260 PolarHBondContact O-N 3.46Å; A258-T261 PolarHBondContact O-N 3.18Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 3.42Å |
| 259 | W | 77.7 | Confident | 72.6 | Confident | 145 Ų | 145 | 78 Ų | 78 | 55% | 0.549 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.7 | -75.8 | 115.8 | 0 | 0 | 0 | 112.5 | W195 S255 T256 T261 L262 A263 | W195-W259 HydrophobicContact CB-CB 3.87Å; W195-W259 HydrophobicContact CD2-CB 4.26Å; W195-W259 HydrophobicContact CE3-CB 4.23Å; W195-W259 HydrophobicContact CG-CB 4.12Å; S255-W259 PolarHBondContact O-N 3.26Å; T256-W259 PolarHBondContact O-N 3.08Å; W259-T261 VanDerWaalsContact C-N 3.28Å; W259-T261 PolarHBondContact O-N 3.5Å; W259-L262 HydrophobicContact CE3-CD1 4.28Å; W259-L262 HydrophobicContact CZ3-CD1 4.42Å; W259-L262 PolarHBondContact O-N 3.48Å; W259-A263 VanDerWaalsContact O-CB 3.22Å; W259-A263 WeakPolarHBondContact O-CB 3.25Å; W259-A263 PolarHBondContact O-N 3.21Å |
| 260 | R | 81.8 | Confident | 72.7 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 176 | -169.1 | 173.1 | 69.2 | 177.8 | 4.1 | 112.7 | W195 L196 S199 T256 F257 A258 G264 | W195-R260 WeakPolarHBondContact O-CA 3.33Å; W195-R260 VanDerWaalsContact O-CB 3.28Å; W195-R260 WeakPolarHBondContact O-CB 3.25Å; W195-R260 PolarHBondContact O-N 2.97Å; L196-R260 VanDerWaalsContact O-CD 3.31Å; L196-R260 WeakPolarHBondContact O-CD 3.43Å; L196-R260 WeakPolarHBondContact O-CG 3.49Å; S199-R260 PolarHBondContact O-NH1 2.9Å; T256-R260 WeakPolarHBondContact O-CB 3.37Å; T256-R260 PolarHBondContact O-N 2.9Å; F257-R260 PolarHBondContact O-N 3.01Å; A258-R260 PolarHBondContact O-N 3.46Å; R260-G264 PolarHBondContact O-N 3.23Å |
| 261 | T | 77.4 | Confident | 72.9 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | F257 A258 W259 G264 L265 | F257-T261 PolarHBondContact O-N 3.45Å; F257-T261 VanDerWaalsContact O-N 3.08Å; F257-T261 PolarHBondContact O-OG1 3.31Å; A258-T261 PolarHBondContact O-N 3.18Å; W259-T261 VanDerWaalsContact C-N 3.28Å; W259-T261 PolarHBondContact O-N 3.5Å; T261-G264 PolarHBondContact O-N 3.19Å; T261-L265 HydrophobicContact CG2-CD1 4.35Å; T261-L265 WeakPolarHBondContact O-CG 3.28Å; T261-L265 PolarHBondContact O-N 3.38Å |
| 262 | L | 79.4 | Confident | 72.6 | Confident | 100 Ų | 100 | 75 Ų | 75 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 178.7 | -69.9 | 172.8 | 0 | 0 | 0 | 112.2 | A258 W259 G264 L265 A266 | A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 3.42Å; W259-L262 HydrophobicContact CE3-CD1 4.28Å; W259-L262 HydrophobicContact CZ3-CD1 4.42Å; W259-L262 PolarHBondContact O-N 3.48Å; L262-G264 VanDerWaalsContact C-N 3.33Å; L262-G264 PolarHBondContact O-N 3.29Å; L262-L265 PolarHBondContact O-N 3.06Å; L262-A266 PolarHBondContact O-N 3.46Å |
| 263 | A | 80 | Confident | 72.2 | Confident | 7 Ų | 7 | 81.1 Ų | 81.1 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W115 W195 W259 L265 A266 L267 | W115-A263 HydrophobicContact CH2-CB 3.68Å; W115-A263 HydrophobicContact CZ2-CB 3.92Å; W195-A263 HydrophobicContact CE3-CB 4.16Å; W195-A263 HydrophobicContact CZ3-CB 4.06Å; W259-A263 VanDerWaalsContact O-CB 3.22Å; W259-A263 WeakPolarHBondContact O-CB 3.25Å; W259-A263 PolarHBondContact O-N 3.21Å; A263-L265 PolarHBondContact O-N 2.97Å; A263-A266 PolarHBondContact O-N 3.34Å; A263-L267 WeakPolarHBondContact O-CB 3.31Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.37Å |
| 264 | G | 78.5 | Confident | 71.4 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 9% | 0.093 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R260 T261 L262 R268 | R260-G264 PolarHBondContact O-N 3.23Å; T261-G264 PolarHBondContact O-N 3.19Å; L262-G264 VanDerWaalsContact C-N 3.33Å; L262-G264 PolarHBondContact O-N 3.29Å; G264-R268 WeakPolarHBondContact O-CB 3.33Å; G264-R268 VanDerWaalsContact O-CG 3.25Å; G264-R268 WeakPolarHBondContact O-CG 3.28Å; G264-R268 PolarHBondContact O-N 3.34Å |
| 265 | L | 79.5 | Confident | 70.1 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 174.9 | -73.3 | 169.3 | 0 | 0 | 0 | 111.8 | T261 L262 A263 R268 A269 | T261-L265 HydrophobicContact CG2-CD1 4.35Å; T261-L265 WeakPolarHBondContact O-CG 3.28Å; T261-L265 PolarHBondContact O-N 3.38Å; L262-L265 PolarHBondContact O-N 3.06Å; A263-L265 PolarHBondContact O-N 2.97Å; L265-R268 PolarHBondContact O-N 2.76Å; L265-A269 PolarHBondContact O-N 3.05Å |
| 266 | A | 80.4 | Confident | 68.6 | Low | 52 Ų | 52 | 84.5 Ų | 84.5 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L262 A263 A269 S270 | L262-A266 PolarHBondContact O-N 3.46Å; A263-A266 PolarHBondContact O-N 3.34Å; A266-A269 PolarHBondContact O-N 3.35Å; A266-S270 PolarHBondContact O-N 3.21Å; A266-S270 VanDerWaalsContact O-N 3.17Å; A266-S270 PolarHBondContact O-OG 2.78Å |
| 267 | L | 82.6 | Confident | 68.4 | Low | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.6 | -75.3 | 164.9 | 0 | 0 | 0 | 112.1 | F110 V113 W115 P197 A263 A269 S270 N271 | F110-L267 HydrophobicContact CD2-CB 3.76Å; V113-L267 HydrophobicContact CG1-CD1 4.25Å; V113-L267 HydrophobicContact CG2-CD1 4.46Å; W115-L267 HydrophobicContact CD2-CD2 4.31Å; W115-L267 HydrophobicContact CG-CD2 4.33Å; W115-L267 HydrophobicContact CH2-CD1 4.31Å; W115-L267 HydrophobicContact CZ2-CD1 3.68Å; W115-L267 HydrophobicContact CZ2-CD2 4.09Å; W115-L267 HydrophobicContact CZ2-CG 3.6Å; P197-L267 HydrophobicContact CG-CD1 3.53Å; A263-L267 WeakPolarHBondContact O-CB 3.31Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.37Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.45Å; L267-S270 CarbonylContact O-C 3.59Å; L267-S270 PolarHBondContact O-N 3.29Å; L267-S270 PolarHBondContact O-OG 3.04Å; L267-N271 WeakPolarHBondContact O-CB 3.22Å; L267-N271 PolarHBondContact O-N 3.09Å |
| 268 | R | 79.8 | Confident | 68.3 | Low | 164 Ų | 164 | 85.9 Ų | 85.9 | 62% | 0.619 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -35.8 | 176.8 | -75.2 | 174.3 | -176.9 | -120.6 | -0.9 | 112.4 | F110 G264 L265 N271 | F110-R268 HydrophobicContact CD2-CG 3.7Å; F110-R268 HydrophobicContact CE2-CG 3.87Å; G264-R268 WeakPolarHBondContact O-CB 3.33Å; G264-R268 VanDerWaalsContact O-CG 3.25Å; G264-R268 WeakPolarHBondContact O-CG 3.28Å; G264-R268 PolarHBondContact O-N 3.34Å; L265-R268 PolarHBondContact O-N 2.76Å; R268-N271 PolarHBondContact O-N 3.06Å |
| 269 | A | 75.5 | Confident | 68 | Low | 71 Ų | 71 | 87.9 Ų | 87.9 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L265 A266 L267 | L265-A269 PolarHBondContact O-N 3.05Å; A266-A269 PolarHBondContact O-N 3.35Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.45Å |
| 270 | S | 70.7 | Confident | 67.4 | Low | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -82.8 | -17 | 176.5 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | N109 A266 L267 T272 | N109-S270 PolarHBondContact ND2-O 3.15Å; A266-S270 PolarHBondContact O-N 3.21Å; A266-S270 VanDerWaalsContact O-N 3.17Å; A266-S270 PolarHBondContact O-OG 2.78Å; L267-S270 CarbonylContact O-C 3.59Å; L267-S270 PolarHBondContact O-N 3.29Å; L267-S270 PolarHBondContact O-OG 3.04Å; S270-T272 PolarHBondContact O-N 2.76Å |
| 271 | N | 62.2 | Low | 66.5 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 19% | 0.193 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 23.4 | 178.2 | -163.9 | 28.7 | 0 | 0 | 0 | 113.5 | D108 N109 L267 R268 R273 | D108-N271 VanDerWaalsContact OD1-CG 3.3Å; D108-N271 PolarHBondContact OD1-ND2 3.04Å; D108-N271 PolarHBondContact OD1-OD1 2.85Å; N109-N271 HydrophobicContact CB-CB 4.03Å; N109-N271 PolarHBondContact N-OD1 3.39Å; L267-N271 WeakPolarHBondContact O-CB 3.22Å; L267-N271 PolarHBondContact O-N 3.09Å; R268-N271 PolarHBondContact O-N 3.06Å; N271-R273 PolarHBondContact O-N 2.8Å |
| 272 | T | 56.2 | Low | 65.8 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | trans | -64.3 | 93.4 | 165.9 | 41.1 | 0 | 0 | 0 | 0 | 107.6 | S270 G274 | S270-T272 PolarHBondContact O-N 2.76Å; T272-G274 PolarHBondContact O-N 2.86Å; T272-G274 VanDerWaalsContact O-N 3.07Å | ||
| 273 | R | 53.5 | Low | 64.8 | Low | 162 Ų | 162 | 84.9 Ų | 84.9 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | trans | -47.3 | 121 | 157.6 | -72 | -175.6 | -179.5 | -171.8 | -0.8 | 104.4 | N271 I275 | N271-R273 PolarHBondContact O-N 2.8Å; R273-I275 VanDerWaalsContact C-N 3.31Å; R273-I275 PolarHBondContact O-N 2.56Å | ||
| 274 | G | 43.8 | Very low | 63.6 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 73% | 0.732 | 53% | 0.533 | S | S | * | . | trans | -52.1 | 106.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | T272 C276 | T272-G274 PolarHBondContact O-N 2.86Å; T272-G274 VanDerWaalsContact O-N 3.07Å; G274-C276 PolarHBondContact O-N 3.29Å | ||
| 275 | I | 32.6 | Very low | 62.4 | Low | 169 Ų | 169 | 97.7 Ų | 97.7 | 87% | 0.867 | 57% | 0.57 | S | S | * | * | trans | -67.6 | 95.3 | 163.2 | -58.5 | 173.9 | 0 | 0 | 0 | 102.2 | R273 | R273-I275 VanDerWaalsContact C-N 3.31Å; R273-I275 PolarHBondContact O-N 2.56Å | ||
| 276 | C | 32.2 | Very low | 60.9 | Low | 191 Ų | 191 | 96.6 Ų | 96.6 | 100% | 1.291 | 57% | 0.57 | S | S | * | * | trans | -62.9 | 0 | 157 | -75.5 | 0 | 0 | 0 | 0 | 108.4 | G274 | G274-C276 PolarHBondContact O-N 3.29Š|
Retrieved 276 of 276 residues in 201.7 ms
(Link to these results)