| 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 | 83.1 | Confident | 93.5 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | 0 | 127.6 | 0 | -173.3 | 175.2 | -67.6 | 0 | 0 | 109.6 | D5 W6 F23 R51 V123 | M1-D5 HydrophobicContact CG-CB 3.61Å; M1-D5 HydrophobicContact SD-CB 4.38Å; M1-W6 HydrophobicContact SD-CE3 3.51Å; M1-W6 VanDerWaalsContact SD-CE3 3.51Å; M1-W6 HydrophobicContact SD-CZ3 4.09Å; M1-F23 HydrophobicContact CE-CD2 3.73Å; M1-F23 HydrophobicContact CE-CE2 3.47Å; M1-F23 VanDerWaalsContact CE-CE2 3.47Å; M1-F23 HydrophobicContact CE-CG 4.36Å; M1-F23 HydrophobicContact CE-CZ 3.92Å; M1-F23 HydrophobicContact CG-CE2 4.49Å; M1-F23 HydrophobicContact SD-CD2 3.37Å; M1-F23 WeakPolarHBondContact SD-CD2 3.44Å; M1-F23 HydrophobicContact SD-CE2 3.34Å; M1-F23 WeakPolarHBondContact SD-CE2 3.27Å; M1-F23 HydrophobicContact SD-CG 4.38Å; M1-F23 HydrophobicContact SD-CZ 4.35Å; M1-R51 VanDerWaalsContact O-CZ 3.32Å; M1-R51 PolarHBondContact O-NE 3.2Å; M1-R51 PolarHBondContact O-NH2 3.35Å; M1-V123 HydrophobicContact CE-CB 3.6Å; M1-V123 HydrophobicContact CE-CG1 3.18Å; M1-V123 HydrophobicContact CE-CG2 4.46Å | |||
| 2 | S | 89.3 | Confident | 93.8 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | trans | -84.6 | 172.2 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 112 | A4 D5 W6 | S2-A4 VanDerWaalsContact C-N 3.31Å; S2-A4 PolarHBondContact OG-N 3.32Å; S2-D5 WeakPolarHBondContact CB-OD2 3.41Å; S2-D5 PolarHBondContact N-OD2 2.79Å; S2-D5 PolarHBondContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.18Å; S2-D5 VanDerWaalsContact OG-N 3.16Å; S2-D5 PolarHBondContact OG-OD2 3.32Å; S2-W6 PolarHBondContact O-N 2.89Å | ||
| 3 | A | 86.4 | Confident | 93.8 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | D5 W6 Y7 S52 E55 | A3-D5 PolarHBondContact O-N 2.8Å; A3-W6 PolarHBondContact O-N 3.1Å; A3-W6 VanDerWaalsContact O-N 3.13Å; A3-Y7 WeakPolarHBondContact O-CD2 3.31Å; A3-Y7 PolarHBondContact O-N 3.48Å; A3-S52 VanDerWaalsContact CB-O 3.31Å; A3-S52 WeakPolarHBondContact CB-O 3.33Å; A3-E55 HydrophobicContact CB-CB 4.43Å; A3-E55 HydrophobicContact CB-CG 4.47Å |
| 4 | A | 90.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -32.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2 | S2-A4 VanDerWaalsContact C-N 3.31Å; S2-A4 PolarHBondContact OG-N 3.32Å |
| 5 | D | 92.4 | Very high | 93.7 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77 | -33.2 | 177.4 | -59.2 | -50.2 | 0 | 0 | 0 | 112.6 | M1 S2 A3 R22 F23 | M1-D5 HydrophobicContact CG-CB 3.61Å; M1-D5 HydrophobicContact SD-CB 4.38Å; S2-D5 WeakPolarHBondContact CB-OD2 3.41Å; S2-D5 PolarHBondContact N-OD2 2.79Å; S2-D5 PolarHBondContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.18Å; S2-D5 VanDerWaalsContact OG-N 3.16Å; S2-D5 PolarHBondContact OG-OD2 3.32Å; A3-D5 PolarHBondContact O-N 2.8Å; D5-R22 WeakPolarHBondContact O-CD 3.45Å; D5-R22 PolarHBondContact O-NH1 2.82Å; D5-F23 HydrophobicContact CB-CE2 4.35Å; D5-F23 WeakPolarHBondContact O-CE2 3.38Å |
| 6 | W | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.2 | -37.6 | -167.8 | -174.2 | -91.1 | 0 | 0 | 0 | 113.3 | M1 S2 A3 E21 R22 F23 L50 R51 I121 P125 | M1-W6 HydrophobicContact SD-CE3 3.51Å; M1-W6 VanDerWaalsContact SD-CE3 3.51Å; M1-W6 HydrophobicContact SD-CZ3 4.09Å; S2-W6 PolarHBondContact O-N 2.89Å; A3-W6 PolarHBondContact O-N 3.1Å; A3-W6 VanDerWaalsContact O-N 3.13Å; W6-E21 PolarHBondContact NE1-OE1 2.83Å; W6-R22 WeakPolarHBondContact O-CB 3.46Å; W6-R22 PolarHBondContact O-N 3.05Å; W6-F23 HydrophobicContact CD2-CD2 4.44Å; W6-F23 HydrophobicContact CE3-CB 4.21Å; W6-F23 AromaticContact CE3-CD2 3.84Å; W6-F23 HydrophobicContact CE3-CD2 3.84Å; W6-F23 HydrophobicContact CH2-CB 4.16Å; W6-F23 HydrophobicContact CZ3-CB 3.86Å; W6-F23 HydrophobicContact CZ3-CD2 4.24Å; W6-L50 HydrophobicContact CH2-CB 4.09Å; W6-L50 HydrophobicContact CH2-CD1 3.61Å; W6-L50 HydrophobicContact CH2-CG 4.48Å; W6-L50 HydrophobicContact CZ2-CB 3.74Å; W6-L50 HydrophobicContact CZ2-CD1 3.61Å; W6-L50 HydrophobicContact CZ2-CG 4.19Å; W6-R51 HydrophobicContact CB-CB 3.8Å; W6-R51 HydrophobicContact CB-CG 3.65Å; W6-R51 HydrophobicContact CD2-CB 4.24Å; W6-R51 HydrophobicContact CD2-CG 3.77Å; W6-R51 HydrophobicContact CE3-CG 4.01Å; W6-R51 HydrophobicContact CG-CB 3.68Å; W6-R51 HydrophobicContact CG-CG 3.59Å; W6-I121 HydrophobicContact CH2-CD1 4.31Å; W6-I121 HydrophobicContact CH2-CG2 4.14Å; W6-P125 HydrophobicContact CZ3-CB 4.03Å |
| 7 | Y | 98.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 153.3 | -178.4 | -59.6 | -79.9 | 0 | 0 | 0 | 111.4 | A3 I19 Q20 E21 I32 R51 L53 Y56 | A3-Y7 WeakPolarHBondContact O-CD2 3.31Å; A3-Y7 PolarHBondContact O-N 3.48Å; Y7-I19 HydrophobicContact CD1-CG2 4Å; Y7-I19 HydrophobicContact CG-CG2 4.4Å; 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 3.94Å; Y7-E21 HydrophobicContact CE1-CG 3.59Å; Y7-I32 HydrophobicContact CE1-CD1 4.23Å; Y7-R51 HydrophobicContact CE2-CB 3.87Å; Y7-R51 PolarHBondContact OH-O 2.66Å; Y7-L53 HydrophobicContact CD1-CD1 4.11Å; Y7-L53 HydrophobicContact CE1-CB 4.45Å; Y7-L53 HydrophobicContact CE1-CD1 4Å; Y7-L53 HydrophobicContact CE2-CB 4.22Å; Y7-L53 HydrophobicContact CE2-CD1 4.43Å; Y7-L53 HydrophobicContact CG-CD1 4.38Å; Y7-Y56 HydrophobicContact CD2-CD1 4.31Å; Y7-Y56 HydrophobicContact CD2-CD2 4.21Å; Y7-Y56 AromaticContact CD2-CG 3.84Å; Y7-Y56 HydrophobicContact CD2-CG 3.84Å; Y7-Y56 HydrophobicContact CG-CD1 4.14Å; Y7-Y56 HydrophobicContact CG-CD2 4.39Å; Y7-Y56 HydrophobicContact CG-CG 4.06Å |
| 8 | A | 97.8 | Very high | 94.5 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 155.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | I19 Q20 R22 Y56 | A8-I19 CarbonylContact O-C 3.57Å; A8-I19 VanDerWaalsContact O-CA 3.32Å; A8-I19 WeakPolarHBondContact O-CA 3.16Å; A8-Q20 PolarHBondContact N-O 3.46Å; A8-Q20 PolarHBondContact O-N 3.08Å; A8-R22 HydrophobicContact CB-CG 3.73Å; A8-Y56 VanDerWaalsContact CA-OH 3.27Å; A8-Y56 WeakPolarHBondContact CA-OH 3.42Å |
| 9 | H | 98.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.6 | 174.9 | 74.9 | -88.1 | 0 | 0 | 0 | 112.6 | W18 I19 Y56 L62 | H9-W18 CarbonylContact C-O 3.56Å; H9-W18 WeakPolarHBondContact CA-O 3.24Å; H9-I19 HydrophobicContact CB-CG1 3.89Å; H9-Y56 HydrophobicContact CB-CE1 4.34Å; H9-Y56 PolarHBondContact N-OH 2.95Å; H9-Y56 VanDerWaalsContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.78Å; H9-Y56 PolarHBondContact ND1-OH 3.35Å; H9-L62 HydrophobicContact CB-CD1 4.4Å |
| 10 | K | 98.1 | Very high | 94.8 | Very high | 126 Ų | 126 | 47.7 Ų | 47.7 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.9 | 169.7 | -179.7 | -178.6 | 176.3 | -173.4 | 0 | 108.8 | L12 F17 W18 | K10-L12 HydrophobicContact CD-CD2 4.06Å; K10-L12 HydrophobicContact CG-CD2 4.23Å; K10-F17 WeakPolarHBondContact O-CA 3.36Å; K10-W18 HydrophobicContact CD-CE3 4.49Å; K10-W18 PolarHBondContact N-O 2.78Å; K10-W18 PolarHBondContact O-N 2.99Å |
| 11 | S | 97.7 | Very high | 95 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 133.4 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | G13 | S11-G13 PolarHBondContact OG-N 2.89Å |
| 12 | L | 96.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 2.7 | 174.5 | -59.2 | -175.9 | 0 | 0 | 0 | 112.6 | K10 L16 W18 W33 L224 | K10-L12 HydrophobicContact CD-CD2 4.06Å; K10-L12 HydrophobicContact CG-CD2 4.23Å; L12-L16 HydrophobicContact CB-CB 4.45Å; L12-L16 HydrophobicContact CB-CD2 4.08Å; L12-L16 HydrophobicContact CB-CG 4.1Å; L12-L16 HydrophobicContact CD1-CD2 4.04Å; L12-L16 HydrophobicContact CD1-CG 4.2Å; L12-L16 PolarHBondContact N-O 3.33Å; L12-W18 HydrophobicContact CD1-CB 4.28Å; L12-W18 HydrophobicContact CG-CB 4.49Å; L12-W33 HydrophobicContact CD1-CZ3 3.89Å; L12-L224 HydrophobicContact CD1-CD2 4.28Å |
| 13 | G | 94.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.7 | 164.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S11 G15 L16 | S11-G13 PolarHBondContact OG-N 2.89Å; G13-G15 PolarHBondContact O-N 3.31Å; G13-L16 WeakPolarHBondContact O-CB 3.44Å; G13-L16 PolarHBondContact O-N 2.75Å |
| 14 | D | 91.9 | Very high | 96.4 | Very high | 150 Ų | 150 | 47 Ų | 47 | 80% | 0.802 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.9 | 169.5 | -51.2 | -35.4 | 0 | 0 | 0 | 115.2 | L16 | D14-L16 PolarHBondContact O-N 2.72Š|
| 15 | G | 93.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 11.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G13 F17 R36 | G13-G15 PolarHBondContact O-N 3.31Å; G15-F17 WeakPolarHBondContact O-CD2 3.46Å; G15-F17 WeakPolarHBondContact O-CE2 3.12Å; G15-R36 PolarHBondContact O-N 3.4Å |
| 16 | L | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.6 | 176 | 175.5 | 63.7 | 0 | 0 | 0 | 111.3 | L12 G13 D14 L34 L35 L180 F182 L224 | L12-L16 HydrophobicContact CB-CB 4.45Å; L12-L16 HydrophobicContact CB-CD2 4.08Å; L12-L16 HydrophobicContact CB-CG 4.1Å; L12-L16 HydrophobicContact CD1-CD2 4.04Å; L12-L16 HydrophobicContact CD1-CG 4.2Å; L12-L16 PolarHBondContact N-O 3.33Å; G13-L16 WeakPolarHBondContact O-CB 3.44Å; G13-L16 PolarHBondContact O-N 2.75Å; D14-L16 PolarHBondContact O-N 2.72Å; L16-L34 CarbonylContact C-O 3.32Å; L16-L34 WeakPolarHBondContact CA-O 3.28Å; L16-L35 HydrophobicContact CD1-CD1 3.72Å; L16-L35 HydrophobicContact CD1-CG 3.9Å; L16-L180 HydrophobicContact CD2-CD1 4.38Å; L16-F182 HydrophobicContact CD1-CE1 3.92Å; L16-F182 HydrophobicContact CD1-CZ 3.94Å; L16-L224 HydrophobicContact CD1-CD2 4.38Å; L16-L224 HydrophobicContact CD2-CD2 3.7Å |
| 17 | F | 98.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.4 | 178.5 | -55.8 | -95 | 0 | 0 | 0 | 110.7 | K10 G15 W33 L34 R36 L62 | K10-F17 WeakPolarHBondContact O-CA 3.36Å; G15-F17 WeakPolarHBondContact O-CD2 3.46Å; G15-F17 WeakPolarHBondContact O-CE2 3.12Å; F17-W33 WeakPolarHBondContact O-CA 3.47Å; F17-L34 HydrophobicContact CB-CB 4.21Å; F17-L34 HydrophobicContact CD2-CD2 4.2Å; F17-L34 HydrophobicContact CD2-CG 4.33Å; F17-L34 PolarHBondContact N-O 2.72Å; F17-L34 PolarHBondContact O-N 3.35Å; F17-R36 HydrophobicContact CE2-CG 4.1Å; F17-L62 HydrophobicContact CD1-CD2 4.31Å; F17-L62 HydrophobicContact CE1-CD2 4.23Å |
| 18 | W | 98.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 58 Ų | 58 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.9 | 167.8 | -178.2 | 28.4 | 0 | 0 | 0 | 109.1 | H9 K10 L12 Q20 N31 W33 | H9-W18 CarbonylContact C-O 3.56Å; H9-W18 WeakPolarHBondContact CA-O 3.24Å; K10-W18 HydrophobicContact CD-CE3 4.49Å; K10-W18 PolarHBondContact N-O 2.78Å; K10-W18 PolarHBondContact O-N 2.99Å; L12-W18 HydrophobicContact CD1-CB 4.28Å; L12-W18 HydrophobicContact CG-CB 4.49Å; W18-Q20 HydrophobicContact CD2-CG 4.3Å; W18-Q20 VanDerWaalsContact CE2-CD 3.5Å; W18-Q20 HydrophobicContact CZ2-CG 4.08Å; W18-N31 WeakPolarHBondContact CZ2-OD1 3.44Å; W18-N31 VanDerWaalsContact NE1-CG 3.34Å; W18-N31 PolarHBondContact NE1-OD1 2.79Å; W18-W33 HydrophobicContact CB-CE3 4.05Å; W18-W33 HydrophobicContact CB-CH2 4.46Å; W18-W33 HydrophobicContact CB-CZ3 3.59Å; W18-W33 AromaticContact CD1-CE3 3.95Å; W18-W33 AromaticContact CD1-CH2 3.68Å; W18-W33 AromaticContact CD1-CZ3 3.49Å; W18-W33 VanDerWaalsContact CD1-CZ3 3.49Å; W18-W33 HydrophobicContact CD2-CH2 4.46Å; W18-W33 HydrophobicContact CD2-CZ3 4.4Å; W18-W33 HydrophobicContact CG-CE3 4.23Å; W18-W33 AromaticContact CG-CH2 3.99Å; W18-W33 HydrophobicContact CG-CH2 3.99Å; W18-W33 AromaticContact CG-CZ3 3.56Å; W18-W33 HydrophobicContact CG-CZ3 3.56Å; W18-W33 AromaticContact NE1-CH2 3.97Å |
| 19 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.9 | 179 | -55.9 | 174.6 | 0 | 0 | 0 | 108.7 | Y7 A8 H9 I32 L34 L53 Y56 I57 L62 | Y7-I19 HydrophobicContact CD1-CG2 4Å; Y7-I19 HydrophobicContact CG-CG2 4.4Å; A8-I19 CarbonylContact O-C 3.57Å; A8-I19 VanDerWaalsContact O-CA 3.32Å; A8-I19 WeakPolarHBondContact O-CA 3.16Å; H9-I19 HydrophobicContact CB-CG1 3.89Å; I19-I32 HydrophobicContact CB-CB 3.98Å; I19-I32 HydrophobicContact CB-CG2 4.01Å; I19-I32 HydrophobicContact CD1-CG2 4.46Å; I19-I32 HydrophobicContact CG2-CB 4.5Å; I19-I32 PolarHBondContact N-O 3.26Å; I19-I32 WeakPolarHBondContact O-CB 3.46Å; I19-I32 PolarHBondContact O-N 2.96Å; I19-I32 VanDerWaalsContact O-N 3.07Å; I19-L34 HydrophobicContact CD1-CB 4Å; I19-L34 HydrophobicContact CD1-CD2 4.36Å; I19-L53 HydrophobicContact CD1-CD1 4.32Å; I19-L53 HydrophobicContact CG2-CD1 4.05Å; I19-Y56 HydrophobicContact CG2-CD1 4.42Å; I19-Y56 HydrophobicContact CG2-CE1 4.03Å; I19-I57 HydrophobicContact CD1-CD1 4.27Å; I19-I57 HydrophobicContact CD1-CG1 3.99Å; I19-L62 HydrophobicContact CD1-CD1 4.3Å |
| 20 | Q | 97 | Very high | 95.6 | Very high | 44 Ų | 44 | 56 Ų | 56 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 148.4 | 179.4 | -62.7 | -169.9 | -66.4 | 0 | 0 | 112.3 | Y7 A8 W18 | 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 3.46Å; A8-Q20 PolarHBondContact O-N 3.08Å; W18-Q20 HydrophobicContact CD2-CG 4.3Å; W18-Q20 VanDerWaalsContact CE2-CD 3.5Å; W18-Q20 HydrophobicContact CZ2-CG 4.08Å |
| 21 | E | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 111.5 | 170.7 | -63.4 | -175 | 109.3 | 0 | 0 | 110.4 | W6 Y7 F23 R29 G47 L48 | W6-E21 PolarHBondContact NE1-OE1 2.83Å; Y7-E21 HydrophobicContact CD1-CG 3.94Å; Y7-E21 HydrophobicContact CE1-CG 3.59Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 2.85Å; E21-R29 WeakPolarHBondContact O-CD 3.43Å; E21-R29 PolarHBondContact O-NH1 3.13Å; E21-G47 WeakPolarHBondContact OE2-CA 3.28Å; E21-L48 PolarHBondContact OE1-N 3.47Å; E21-L48 WeakPolarHBondContact OE2-CG 3.3Å; E21-L48 PolarHBondContact OE2-N 3.3Å |
| 22 | R | 96.4 | Very high | 95.6 | Very high | 124 Ų | 124 | 47 Ų | 47 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -66.8 | -35.1 | -173.1 | -65.3 | 177.3 | 67.5 | -150.3 | 6 | 113.1 | D5 W6 A8 | D5-R22 WeakPolarHBondContact O-CD 3.45Å; D5-R22 PolarHBondContact O-NH1 2.82Å; W6-R22 WeakPolarHBondContact O-CB 3.46Å; W6-R22 PolarHBondContact O-N 3.05Å; A8-R22 HydrophobicContact CB-CG 3.73Å |
| 23 | F | 96.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -99.4 | -3.8 | -174.2 | -58.2 | -63.3 | 0 | 0 | 0 | 113.6 | M1 D5 W6 E21 Q25 I121 A122 V123 | M1-F23 HydrophobicContact CE-CD2 3.73Å; M1-F23 HydrophobicContact CE-CE2 3.47Å; M1-F23 VanDerWaalsContact CE-CE2 3.47Å; M1-F23 HydrophobicContact CE-CG 4.36Å; M1-F23 HydrophobicContact CE-CZ 3.92Å; M1-F23 HydrophobicContact CG-CE2 4.49Å; M1-F23 HydrophobicContact SD-CD2 3.37Å; M1-F23 WeakPolarHBondContact SD-CD2 3.44Å; M1-F23 HydrophobicContact SD-CE2 3.34Å; M1-F23 WeakPolarHBondContact SD-CE2 3.27Å; M1-F23 HydrophobicContact SD-CG 4.38Å; M1-F23 HydrophobicContact SD-CZ 4.35Å; D5-F23 HydrophobicContact CB-CE2 4.35Å; D5-F23 WeakPolarHBondContact O-CE2 3.38Å; W6-F23 HydrophobicContact CD2-CD2 4.44Å; W6-F23 HydrophobicContact CE3-CB 4.21Å; W6-F23 AromaticContact CE3-CD2 3.84Å; W6-F23 HydrophobicContact CE3-CD2 3.84Å; W6-F23 HydrophobicContact CH2-CB 4.16Å; W6-F23 HydrophobicContact CZ3-CB 3.86Å; W6-F23 HydrophobicContact CZ3-CD2 4.24Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 2.85Å; F23-Q25 PolarHBondContact O-N 3Å; F23-I121 CarbonylContact O-C 3.59Å; F23-I121 WeakPolarHBondContact O-CA 3.32Å; F23-A122 PolarHBondContact O-N 3.42Å; F23-V123 HydrophobicContact CB-CB 4.45Å; F23-V123 HydrophobicContact CD1-CB 3.8Å; F23-V123 HydrophobicContact CD1-CG2 3.46Å; F23-V123 VanDerWaalsContact CD1-CG2 3.46Å; F23-V123 HydrophobicContact CE1-CB 4.17Å; F23-V123 HydrophobicContact CE1-CG2 3.59Å; F23-V123 HydrophobicContact CG-CB 4.04Å; F23-V123 HydrophobicContact CG-CG2 4.22Å; F23-V123 HydrophobicContact CZ-CG2 4.43Å |
| 24 | Y | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 105.2 | 165.6 | -172.8 | -156.8 | 0 | 0 | 0 | 108.7 | N28 R29 L48 D83 L116 E120 I121 | Y24-N28 WeakPolarHBondContact CE1-O 3.33Å; Y24-N28 WeakPolarHBondContact OH-CB 3.42Å; Y24-R29 HydrophobicContact CD1-CB 3.94Å; Y24-R29 HydrophobicContact CD1-CG 4.02Å; Y24-R29 HydrophobicContact CE1-CB 4.27Å; Y24-R29 HydrophobicContact CG-CB 4.45Å; Y24-R29 VanDerWaalsContact O-CD 3.31Å; Y24-R29 WeakPolarHBondContact O-CD 3.32Å; Y24-R29 PolarHBondContact O-NH1 2.88Å; Y24-L48 HydrophobicContact CD1-CD1 3.57Å; Y24-L48 HydrophobicContact CD1-CD2 4.26Å; Y24-L48 HydrophobicContact CD1-CG 3.77Å; Y24-L48 HydrophobicContact CD2-CD1 3.86Å; Y24-L48 HydrophobicContact CE1-CD1 3.87Å; Y24-L48 HydrophobicContact CE1-CD2 3.79Å; Y24-L48 HydrophobicContact CE1-CG 3.83Å; Y24-L48 HydrophobicContact CE2-CD1 4.11Å; Y24-L48 HydrophobicContact CG-CD1 3.58Å; Y24-L48 HydrophobicContact CG-CG 4.31Å; Y24-D83 HydrophobicContact CE1-CB 4.39Å; Y24-L116 HydrophobicContact CD2-CD1 4.33Å; Y24-L116 HydrophobicContact CE2-CD1 3.65Å; Y24-E120 CarbonylContact C-O 3.59Å; Y24-E120 HydrophobicContact CD2-CB 4.09Å; Y24-E120 HydrophobicContact CE2-CB 3.84Å; Y24-I121 HydrophobicContact CD2-CD1 3.79Å; Y24-I121 HydrophobicContact CG-CD1 4.31Å |
| 25 | Q | 93.9 | Very high | 96.2 | Very high | 127 Ų | 127 | 35.4 Ų | 35.4 | 59% | 0.593 | 16% | 0.164 | S | C | * | . | trans | -110 | 78.3 | -178.9 | -65.4 | -175.2 | -5 | 0 | 0 | 108.7 | F23 E120 A122 | F23-Q25 PolarHBondContact O-N 3Å; Q25-E120 PolarHBondContact N-O 2.92Å; Q25-A122 HydrophobicContact CG-CB 4.16Å | ||
| 26 | S | 93.2 | Very high | 96.2 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -138.6 | 157.2 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | N28 R29 E120 | S26-N28 PolarHBondContact O-N 2.88Å; S26-N28 PolarHBondContact OG-N 2.99Å; S26-N28 VanDerWaalsContact OG-N 3.07Å; S26-R29 WeakPolarHBondContact O-CB 3.45Å; S26-R29 PolarHBondContact O-N 2.84Å; S26-E120 WeakPolarHBondContact CB-OE1 3.34Å; S26-E120 PolarHBondContact OG-OE1 2.86Å |
| 27 | E | 87 | Confident | 96 | Very high | 153 Ų | 153 | 37.7 Ų | 37.7 | 72% | 0.715 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26 | 165.4 | -62.2 | -171.2 | 160.4 | 0 | 0 | 111.1 | R29 | E27-R29 PolarHBondContact O-N 3.11Š|
| 28 | N | 88.6 | Confident | 95.6 | Very high | 58 Ų | 58 | 41 Ų | 41 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 11.9 | 174.2 | -57.7 | -18.8 | 0 | 0 | 0 | 112.7 | Y24 S26 A30 D83 H227 | Y24-N28 WeakPolarHBondContact CE1-O 3.33Å; Y24-N28 WeakPolarHBondContact OH-CB 3.42Å; S26-N28 PolarHBondContact O-N 2.88Å; S26-N28 PolarHBondContact OG-N 2.99Å; S26-N28 VanDerWaalsContact OG-N 3.07Å; N28-A30 PolarHBondContact O-N 2.81Å; N28-D83 WeakPolarHBondContact O-CB 3.46Å; N28-H227 PolarHBondContact O-CE1 3.43Å |
| 29 | R | 96 | Very high | 95.2 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 28% | 0.275 | 21% | 0.21 | S | C | . | . | trans | -67.5 | 111.2 | 174.5 | -179.5 | 176.4 | 59.6 | -155.8 | 4.1 | 108.8 | E21 Y24 S26 E27 H227 | E21-R29 WeakPolarHBondContact O-CD 3.43Å; E21-R29 PolarHBondContact O-NH1 3.13Å; Y24-R29 HydrophobicContact CD1-CB 3.94Å; Y24-R29 HydrophobicContact CD1-CG 4.02Å; Y24-R29 HydrophobicContact CE1-CB 4.27Å; Y24-R29 HydrophobicContact CG-CB 4.45Å; Y24-R29 VanDerWaalsContact O-CD 3.31Å; Y24-R29 WeakPolarHBondContact O-CD 3.32Å; Y24-R29 PolarHBondContact O-NH1 2.88Å; S26-R29 WeakPolarHBondContact O-CB 3.45Å; S26-R29 PolarHBondContact O-N 2.84Å; E27-R29 PolarHBondContact O-N 3.11Å; R29-H227 PolarHBondContact O-ND1 2.83Å; R29-H227 VanDerWaalsContact O-ND1 3.08Å | ||
| 30 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -68.3 | 144.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | N28 D83 G226 | N28-A30 PolarHBondContact O-N 2.81Å; A30-D83 HydrophobicContact CB-CB 4.41Å; A30-D83 WeakPolarHBondContact CB-O 3.39Å; A30-G226 CarbonylContact C-O 3.49Å; A30-G226 VanDerWaalsContact CA-O 3.26Å; A30-G226 WeakPolarHBondContact CA-O 3.48Å | ||
| 31 | N | 98.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | trans | -78.4 | 133.4 | 162.4 | -66.4 | -37.6 | 0 | 0 | 0 | 108.2 | W18 W33 P225 G226 Y228 | W18-N31 WeakPolarHBondContact CZ2-OD1 3.44Å; W18-N31 VanDerWaalsContact NE1-CG 3.34Å; W18-N31 PolarHBondContact NE1-OD1 2.79Å; N31-W33 HydrophobicContact CB-CH2 4.31Å; N31-W33 HydrophobicContact CB-CZ2 3.53Å; N31-P225 WeakPolarHBondContact CB-O 3.47Å; N31-P225 PolarHBondContact ND2-O 3.32Å; N31-G226 PolarHBondContact N-O 2.79Å; N31-Y228 PolarHBondContact ND2-O 3.19Å | ||
| 32 | I | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.9 | 174.5 | -63.8 | 162 | 0 | 0 | 0 | 107 | Y7 I19 V43 D45 L53 | Y7-I32 HydrophobicContact CE1-CD1 4.23Å; I19-I32 HydrophobicContact CB-CB 3.98Å; I19-I32 HydrophobicContact CB-CG2 4.01Å; I19-I32 HydrophobicContact CD1-CG2 4.46Å; I19-I32 HydrophobicContact CG2-CB 4.5Å; I19-I32 PolarHBondContact N-O 3.26Å; I19-I32 WeakPolarHBondContact O-CB 3.46Å; I19-I32 PolarHBondContact O-N 2.96Å; I19-I32 VanDerWaalsContact O-N 3.07Å; I32-V43 HydrophobicContact CG2-CG2 3.54Å; I32-D45 WeakPolarHBondContact CG2-O 3.31Å; I32-L53 HydrophobicContact CD1-CD2 4.2Å; I32-L53 HydrophobicContact CG2-CD2 3.94Å |
| 33 | W | 98.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.5 | -178.2 | -51 | 102.6 | 0 | 0 | 0 | 110 | L12 F17 W18 N31 L35 V43 I44 F182 L224 P225 T230 | L12-W33 HydrophobicContact CD1-CZ3 3.89Å; F17-W33 WeakPolarHBondContact O-CA 3.47Å; W18-W33 HydrophobicContact CB-CE3 4.05Å; W18-W33 HydrophobicContact CB-CH2 4.46Å; W18-W33 HydrophobicContact CB-CZ3 3.59Å; W18-W33 AromaticContact CD1-CE3 3.95Å; W18-W33 AromaticContact CD1-CH2 3.68Å; W18-W33 AromaticContact CD1-CZ3 3.49Å; W18-W33 VanDerWaalsContact CD1-CZ3 3.49Å; W18-W33 HydrophobicContact CD2-CH2 4.46Å; W18-W33 HydrophobicContact CD2-CZ3 4.4Å; W18-W33 HydrophobicContact CG-CE3 4.23Å; W18-W33 AromaticContact CG-CH2 3.99Å; W18-W33 HydrophobicContact CG-CH2 3.99Å; W18-W33 AromaticContact CG-CZ3 3.56Å; W18-W33 HydrophobicContact CG-CZ3 3.56Å; W18-W33 AromaticContact NE1-CH2 3.97Å; N31-W33 HydrophobicContact CB-CH2 4.31Å; N31-W33 HydrophobicContact CB-CZ2 3.53Å; W33-L35 HydrophobicContact CB-CD1 4.12Å; W33-V43 CarbonylContact O-C 3.57Å; W33-V43 VanDerWaalsContact O-CA 3.27Å; W33-V43 WeakPolarHBondContact O-CA 3.3Å; W33-I44 HydrophobicContact CB-CB 4.18Å; W33-I44 HydrophobicContact CB-CD1 4.44Å; W33-I44 PolarHBondContact N-O 3.04Å; W33-I44 PolarHBondContact O-N 2.83Å; W33-F182 HydrophobicContact CB-CD1 3.85Å; W33-F182 HydrophobicContact CB-CE1 3.73Å; W33-F182 AromaticContact CD1-CD1 3.72Å; W33-F182 HydrophobicContact CD2-CD1 4.27Å; W33-F182 HydrophobicContact CD2-CE1 4.25Å; W33-F182 AromaticContact CG-CD1 3.65Å; W33-F182 HydrophobicContact CG-CD1 3.65Å; W33-F182 AromaticContact CG-CE1 3.82Å; W33-F182 HydrophobicContact CG-CE1 3.82Å; W33-L224 HydrophobicContact CD2-CB 4.09Å; W33-L224 HydrophobicContact CD2-CD2 4.16Å; W33-L224 HydrophobicContact CE3-CB 4.46Å; W33-L224 HydrophobicContact CE3-CD2 3.73Å; W33-L224 HydrophobicContact CH2-CB 4.2Å; W33-L224 HydrophobicContact CH2-CD2 4.07Å; W33-L224 HydrophobicContact CZ2-CB 3.79Å; W33-L224 HydrophobicContact CZ2-CD2 4.45Å; W33-L224 HydrophobicContact CZ3-CD2 3.68Å; W33-L224 PolarHBondContact NE1-O 3.26Å; W33-P225 WeakPolarHBondContact CZ2-O 3.38Å; W33-P225 PolarHBondContact NE1-O 2.94Å; W33-T230 HydrophobicContact CH2-CG2 3.76Å; W33-T230 HydrophobicContact CZ2-CG2 4.5Å; W33-T230 HydrophobicContact CZ3-CG2 4.44Å |
| 34 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.3 | 172.2 | 171.1 | 70.6 | 0 | 0 | 0 | 108.9 | L16 F17 I19 D41 V42 V43 I57 L62 L73 | L16-L34 CarbonylContact C-O 3.32Å; L16-L34 WeakPolarHBondContact CA-O 3.28Å; F17-L34 HydrophobicContact CB-CB 4.21Å; F17-L34 HydrophobicContact CD2-CD2 4.2Å; F17-L34 HydrophobicContact CD2-CG 4.33Å; F17-L34 PolarHBondContact N-O 2.72Å; F17-L34 PolarHBondContact O-N 3.35Å; I19-L34 HydrophobicContact CD1-CB 4Å; I19-L34 HydrophobicContact CD1-CD2 4.36Å; L34-D41 HydrophobicContact CD1-CB 4.42Å; L34-V42 WeakPolarHBondContact CA-O 3.45Å; L34-V43 HydrophobicContact CD1-CB 4.29Å; L34-I57 HydrophobicContact CD2-CD1 4.49Å; L34-I57 HydrophobicContact CD2-CG1 4.34Å; L34-I57 HydrophobicContact CD2-CG2 4.09Å; L34-L62 HydrophobicContact CD2-CB 3.59Å; L34-L62 HydrophobicContact CD2-CD1 4.35Å; L34-L73 HydrophobicContact CD1-CD1 3.83Å |
| 35 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126 | 176 | -73 | 72.7 | 0 | 0 | 0 | 108.5 | 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 4.12Å; L35-D41 CarbonylContact O-C 3.58Å; L35-D41 VanDerWaalsContact O-CA 3.28Å; L35-D41 WeakPolarHBondContact O-CA 3.43Å; L35-V42 PolarHBondContact N-O 3.31Å; L35-V42 PolarHBondContact O-N 2.7Å; L35-I44 HydrophobicContact CD1-CD1 3.74Å; L35-I44 HydrophobicContact CD1-CG1 4.37Å; L35-L153 HydrophobicContact CB-CD2 3.84Å; L35-L158 HydrophobicContact CD2-CD1 4.03Å; L35-L158 HydrophobicContact CD2-CD2 3.85Å; L35-L158 HydrophobicContact CD2-CG 4.43Å; L35-F182 HydrophobicContact CD1-CE1 3.71Å; L35-F182 HydrophobicContact CD1-CE2 4.24Å; L35-F182 HydrophobicContact CD1-CZ 3.56Å; L35-F182 HydrophobicContact CD2-CE2 3.64Å; L35-F182 HydrophobicContact CD2-CZ 3.59Å; L35-F182 HydrophobicContact CG-CE2 4.47Å; L35-F182 HydrophobicContact CG-CZ 3.94Å |
| 36 | R | 94.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 30.5 Ų | 30.5 | 27% | 0.272 | 15% | 0.149 | S | C | . | . | trans | -82.5 | 147.7 | 169.8 | -65.9 | -178 | -167.8 | 172.6 | 0.7 | 111.4 | G15 F17 D41 G61 L62 | G15-R36 PolarHBondContact O-N 3.4Å; F17-R36 HydrophobicContact CE2-CG 4.1Å; R36-D41 WeakPolarHBondContact CA-OD1 3.36Å; R36-G61 PolarHBondContact NH2-O 2.93Å; R36-L62 VanDerWaalsContact CZ-O 3.29Å; R36-L62 PolarHBondContact NE-O 2.88Å; R36-L62 PolarHBondContact NH2-O 2.83Å; R36-L62 VanDerWaalsContact NH2-O 3.15Å | ||
| 37 | G | 92.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | trans | -138.5 | 159.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H39 Q40 D41 R69 L153 | G37-H39 VanDerWaalsContact C-N 3.27Å; G37-H39 PolarHBondContact O-N 2.88Å; G37-Q40 VanDerWaalsContact CA-O 3.32Å; G37-Q40 WeakPolarHBondContact CA-O 3.34Å; G37-Q40 PolarHBondContact N-O 2.84Å; G37-D41 PolarHBondContact N-OD1 3.15Å; G37-R69 PolarHBondContact O-NH2 2.93Å; G37-L153 CarbonylContact C-O 3.48Å; G37-L153 VanDerWaalsContact CA-O 3.24Å; G37-L153 WeakPolarHBondContact CA-O 3.27Å | ||
| 38 | T | 91.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 21.9 Ų | 21.9 | 52% | 0.515 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -65.2 | -30.2 | 173.3 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | L153 G154 D155 | T38-L153 PolarHBondContact N-O 3.48Å; T38-L153 VanDerWaalsContact N-O 3.13Å; T38-G154 WeakPolarHBondContact OG1-CA 3.28Å; T38-D155 WeakPolarHBondContact CB-OD1 3.37Å; T38-D155 HydrophobicContact CG2-CB 4.13Å; T38-D155 WeakPolarHBondContact CG2-OD1 3.44Å; T38-D155 PolarHBondContact N-OD1 3.12Å; T38-D155 PolarHBondContact OG1-N 2.96Å; T38-D155 PolarHBondContact OG1-OD1 3.32Å |
| 39 | H | 88.8 | Confident | 96.5 | Very high | 130 Ų | 130 | 19.6 Ų | 19.6 | 60% | 0.602 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -98.5 | -57.2 | 176.3 | -172.8 | 62.1 | 0 | 0 | 0 | 111.7 | G37 R69 L153 | G37-H39 VanDerWaalsContact C-N 3.27Å; G37-H39 PolarHBondContact O-N 2.88Å; H39-R69 PolarHBondContact O-NE 3.41Å; H39-R69 VanDerWaalsContact O-NE 3.1Å; H39-R69 PolarHBondContact O-NH2 3.49Å; H39-L153 WeakPolarHBondContact CB-O 3.49Å; H39-L153 PolarHBondContact N-O 2.94Å |
| 40 | Q | 91.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 17.2 Ų | 17.2 | 13% | 0.131 | 9% | 0.088 | C | C | . | . | trans | -136.5 | 140.3 | -172.9 | -168.4 | 177.7 | 58.4 | 0 | 0 | 110.2 | G37 R69 P72 L74 L153 | G37-Q40 VanDerWaalsContact CA-O 3.32Å; G37-Q40 WeakPolarHBondContact CA-O 3.34Å; G37-Q40 PolarHBondContact N-O 2.84Å; Q40-R69 VanDerWaalsContact CA-NH2 3.34Å; Q40-P72 CarbonylContact C-O 3.6Å; Q40-P72 WeakPolarHBondContact CG-O 3.49Å; Q40-L74 HydrophobicContact CG-CB 4.37Å; Q40-L153 PolarHBondContact N-O 2.95Å; Q40-L153 VanDerWaalsContact O-CB 3.32Å; Q40-L153 WeakPolarHBondContact O-CB 3.36Å; Q40-L153 VanDerWaalsContact O-CG 3.3Å; Q40-L153 WeakPolarHBondContact O-CG 3.43Å | ||
| 41 | D | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.4 | 169.9 | -63.1 | -23.5 | 0 | 0 | 0 | 108 | L34 L35 R36 G37 L63 G64 R69 P72 L73 L74 | L34-D41 HydrophobicContact CD1-CB 4.42Å; L35-D41 CarbonylContact O-C 3.58Å; L35-D41 VanDerWaalsContact O-CA 3.28Å; L35-D41 WeakPolarHBondContact O-CA 3.43Å; R36-D41 WeakPolarHBondContact CA-OD1 3.36Å; G37-D41 PolarHBondContact N-OD1 3.15Å; D41-L63 HydrophobicContact CB-CD2 4.16Å; D41-L63 WeakPolarHBondContact OD2-CA 3.18Å; D41-L63 WeakPolarHBondContact OD2-CB 3.16Å; D41-L63 WeakPolarHBondContact OD2-CD2 3.33Å; D41-G64 PolarHBondContact OD2-N 2.88Å; D41-R69 VanDerWaalsContact CG-NH1 3.31Å; D41-R69 IonicContact OD1-CZ 3.43Å; D41-R69 IonicContact OD1-NH1 3.26Å; D41-R69 PolarHBondContact OD1-NH1 3.16Å; D41-R69 IonicContact OD1-NH2 2.72Å; D41-R69 PolarHBondContact OD1-NH2 3.21Å; D41-R69 IonicContact OD2-CZ 3.48Å; D41-R69 IonicContact OD2-NH1 2.78Å; D41-R69 PolarHBondContact OD2-NH1 3.16Å; D41-R69 IonicContact OD2-NH2 3.33Å; D41-R69 PolarHBondContact OD2-NH2 2.95Å; D41-P72 CarbonylContact C-O 3.57Å; D41-P72 WeakPolarHBondContact CA-O 3.33Å; D41-P72 PolarHBondContact N-O 2.9Å; D41-L73 HydrophobicContact CB-CD1 4.02Å; D41-L73 WeakPolarHBondContact O-CA 3.38Å; D41-L74 PolarHBondContact O-N 2.86Å |
| 42 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.1 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | L34 L35 I44 L74 I76 I151 L153 L158 | L34-V42 WeakPolarHBondContact CA-O 3.45Å; L35-V42 PolarHBondContact N-O 3.31Å; L35-V42 PolarHBondContact O-N 2.7Å; V42-I44 HydrophobicContact CG1-CG1 3.87Å; V42-L74 CarbonylContact C-O 3.55Å; V42-L74 WeakPolarHBondContact CA-O 3.29Å; V42-L74 HydrophobicContact CG2-CB 4.36Å; V42-L74 HydrophobicContact CG2-CD2 4.44Å; V42-I76 HydrophobicContact CG1-CD1 3.81Å; V42-I76 HydrophobicContact CG1-CG1 4.07Å; V42-I151 HydrophobicContact CG2-CG2 3.82Å; V42-L153 HydrophobicContact CB-CD2 4.15Å; V42-L153 HydrophobicContact CG2-CD1 3.77Å; V42-L153 HydrophobicContact CG2-CD2 3.95Å; V42-L153 HydrophobicContact CG2-CG 3.81Å; V42-L158 HydrophobicContact CG1-CD1 4.35Å |
| 43 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.6 | 163.6 | 65.7 | 0 | 0 | 0 | 0 | 108.9 | I32 W33 L34 L53 I57 L73 L74 A75 I76 F91 | I32-V43 HydrophobicContact CG2-CG2 3.54Å; W33-V43 CarbonylContact O-C 3.57Å; W33-V43 VanDerWaalsContact O-CA 3.27Å; W33-V43 WeakPolarHBondContact O-CA 3.3Å; L34-V43 HydrophobicContact CD1-CB 4.29Å; V43-L53 HydrophobicContact CG2-CD2 4.2Å; V43-I57 HydrophobicContact CG2-CD1 4.38Å; V43-L73 HydrophobicContact CB-CD1 4.15Å; V43-L73 HydrophobicContact CG1-CD1 4.1Å; V43-L73 HydrophobicContact CG1-CG 4.34Å; V43-L74 PolarHBondContact N-O 2.86Å; V43-A75 HydrophobicContact CG1-CB 3.62Å; V43-A75 CarbonylContact O-C 3.57Å; V43-A75 WeakPolarHBondContact O-CA 3.46Å; V43-I76 PolarHBondContact O-N 3.01Å; V43-F91 HydrophobicContact CG1-CD1 4.26Å; V43-F91 HydrophobicContact CG1-CE1 3.55Å; V43-F91 HydrophobicContact CG1-CZ 3.82Å |
| 44 | I | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.2 | -179.9 | -51.8 | 169.3 | 0 | 0 | 0 | 106.9 | W33 L35 V42 I76 T78 L158 L173 F182 | W33-I44 HydrophobicContact CB-CB 4.18Å; W33-I44 HydrophobicContact CB-CD1 4.44Å; W33-I44 PolarHBondContact N-O 3.04Å; W33-I44 PolarHBondContact O-N 2.83Å; L35-I44 HydrophobicContact CD1-CD1 3.74Å; L35-I44 HydrophobicContact CD1-CG1 4.37Å; V42-I44 HydrophobicContact CG1-CG1 3.87Å; I44-I76 CarbonylContact C-O 3.59Å; I44-I76 WeakPolarHBondContact CA-O 3.35Å; I44-T78 HydrophobicContact CG2-CG2 3.65Å; I44-L158 HydrophobicContact CD1-CD1 4.28Å; I44-L173 HydrophobicContact CB-CD1 4.44Å; I44-L173 HydrophobicContact CD1-CB 4.48Å; I44-L173 HydrophobicContact CD1-CD1 3.64Å; I44-L173 HydrophobicContact CG1-CD1 3.68Å; I44-L173 HydrophobicContact CG2-CD1 3.96Å; I44-F182 HydrophobicContact CD1-CB 3.86Å; I44-F182 HydrophobicContact CD1-CD1 3.56Å; I44-F182 HydrophobicContact CD1-CD2 3.73Å; I44-F182 HydrophobicContact CD1-CE1 4.03Å; I44-F182 HydrophobicContact CD1-CE2 4.2Å; I44-F182 HydrophobicContact CD1-CG 3.41Å; I44-F182 VanDerWaalsContact CD1-CG 3.41Å; I44-F182 HydrophobicContact CD1-CZ 4.35Å |
| 45 | D | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | 58.8 | 164.5 | -167.5 | -59 | -29.3 | 0 | 0 | 0 | 113.4 | I32 I76 A77 T78 H84 | I32-D45 WeakPolarHBondContact CG2-O 3.31Å; D45-I76 PolarHBondContact N-O 3.21Å; D45-A77 WeakPolarHBondContact OD1-CA 3.28Å; D45-T78 PolarHBondContact OD1-N 2.92Å; D45-T78 PolarHBondContact OD1-OG1 2.9Å; D45-T78 PolarHBondContact OD2-OG1 2.81Å; D45-H84 CarbonylContact C-O 3.43Å; D45-H84 HydrophobicContact CB-CB 4.09Å; D45-H84 VanDerWaalsContact CG-ND1 3.29Å; D45-H84 IonicContact OD1-ND1 3.16Å; D45-H84 IonicContact OD2-CE1 2.99Å; D45-H84 IonicContact OD2-CG 2.85Å; D45-H84 IonicContact OD2-ND1 2.77Å; D45-H84 PolarHBondContact OD2-ND1 2.96Å | ||
| 46 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -140.5 | 3.9 | -166.3 | 59.5 | 0 | 0 | 0 | 0 | 114.9 | L53 A75 H84 G87 L88 F91 | T46-L53 HydrophobicContact CG2-CD2 4.42Å; T46-A75 HydrophobicContact CG2-CB 4.06Å; T46-H84 PolarHBondContact N-O 2.88Å; T46-H84 PolarHBondContact OG1-O 3.46Å; T46-G87 VanDerWaalsContact OG1-CA 3.26Å; T46-G87 WeakPolarHBondContact OG1-CA 3.3Å; T46-G87 PolarHBondContact OG1-N 3.44Å; T46-L88 HydrophobicContact CG2-CD2 3.83Å; T46-L88 HydrophobicContact CG2-CG 4.47Å; T46-L88 PolarHBondContact OG1-N 2.9Å; T46-L88 VanDerWaalsContact OG1-N 3.16Å; T46-F91 HydrophobicContact CG2-CD2 4.18Å; T46-F91 HydrophobicContact CG2-CE2 3.58Å; T46-F91 HydrophobicContact CG2-CZ 4.12Å | ||
| 47 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -160.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E21 G49 D83 G86 G87 | E21-G47 WeakPolarHBondContact OE2-CA 3.28Å; G47-G49 PolarHBondContact O-N 2.92Å; G47-D83 CarbonylContact C-O 3.57Å; G47-D83 VanDerWaalsContact C-O 3.28Å; G47-D83 WeakPolarHBondContact CA-O 3.3Å; G47-D83 PolarHBondContact N-O 3.13Å; G47-G86 WeakPolarHBondContact O-CA 3.46Å; G47-G86 PolarHBondContact O-N 3.29Å; G47-G86 VanDerWaalsContact O-N 3.16Å; G47-G87 PolarHBondContact O-N 3.45Å |
| 48 | L | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.7 | 178.2 | -59.1 | 176.9 | 0 | 0 | 0 | 114 | E21 Y24 L50 F82 D83 L116 I121 Y134 | E21-L48 PolarHBondContact OE1-N 3.47Å; E21-L48 WeakPolarHBondContact OE2-CG 3.3Å; E21-L48 PolarHBondContact OE2-N 3.3Å; Y24-L48 HydrophobicContact CD1-CD1 3.57Å; Y24-L48 HydrophobicContact CD1-CD2 4.26Å; Y24-L48 HydrophobicContact CD1-CG 3.77Å; Y24-L48 HydrophobicContact CD2-CD1 3.86Å; Y24-L48 HydrophobicContact CE1-CD1 3.87Å; Y24-L48 HydrophobicContact CE1-CD2 3.79Å; Y24-L48 HydrophobicContact CE1-CG 3.83Å; Y24-L48 HydrophobicContact CE2-CD1 4.11Å; Y24-L48 HydrophobicContact CG-CD1 3.58Å; Y24-L48 HydrophobicContact CG-CG 4.31Å; L48-L50 HydrophobicContact CB-CD1 4.21Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 3.84Å; L48-L50 HydrophobicContact CD1-CG 4.42Å; L48-L50 PolarHBondContact O-N 3Å; L48-F82 HydrophobicContact CD2-CD2 3.53Å; L48-F82 HydrophobicContact CD2-CE2 3.51Å; L48-D83 HydrophobicContact CD2-CB 4.38Å; L48-L116 HydrophobicContact CD1-CD1 4.06Å; L48-L116 HydrophobicContact CD1-CD2 4.31Å; L48-L116 HydrophobicContact CD2-CD1 4.35Å; L48-I121 HydrophobicContact CD1-CD1 3.81Å; L48-Y134 HydrophobicContact CB-CE2 4.42Å; L48-Y134 WeakPolarHBondContact O-CE2 3.27Å; L48-Y134 PolarHBondContact O-OH 2.78Å |
| 49 | G | 97.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | trans | 64.1 | 23.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G47 R51 Q90 | G47-G49 PolarHBondContact O-N 2.92Å; G49-R51 PolarHBondContact O-N 2.68Å; G49-Q90 PolarHBondContact O-NE2 2.85Å | ||
| 50 | L | 96.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 12% | 0.12 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -72.5 | -18.1 | 176.9 | -66.6 | -179 | 0 | 0 | 0 | 113 | W6 L48 I121 P125 W129 Y134 | W6-L50 HydrophobicContact CH2-CB 4.09Å; W6-L50 HydrophobicContact CH2-CD1 3.61Å; W6-L50 HydrophobicContact CH2-CG 4.48Å; W6-L50 HydrophobicContact CZ2-CB 3.74Å; W6-L50 HydrophobicContact CZ2-CD1 3.61Å; W6-L50 HydrophobicContact CZ2-CG 4.19Å; L48-L50 HydrophobicContact CB-CD1 4.21Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 3.84Å; L48-L50 HydrophobicContact CD1-CG 4.42Å; L48-L50 PolarHBondContact O-N 3Å; L50-I121 HydrophobicContact CD1-CD1 4.09Å; L50-P125 HydrophobicContact CB-CB 4.32Å; L50-P125 HydrophobicContact CB-CG 4.44Å; L50-P125 HydrophobicContact CD1-CG 4.32Å; L50-W129 HydrophobicContact CD1-CH2 4.43Å; L50-W129 HydrophobicContact CD1-CZ2 3.85Å; L50-W129 HydrophobicContact CD2-CZ2 3.95Å; L50-Y134 HydrophobicContact CD2-CD2 3.68Å; L50-Y134 HydrophobicContact CD2-CE2 3.94Å |
| 51 | R | 96.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 22% | 0.223 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -137.2 | 162.2 | 173 | -71.9 | -62.7 | -177.5 | -119.7 | 29.1 | 111 | M1 W6 Y7 G49 L53 Q90 P125 | M1-R51 VanDerWaalsContact O-CZ 3.32Å; M1-R51 PolarHBondContact O-NE 3.2Å; M1-R51 PolarHBondContact O-NH2 3.35Å; W6-R51 HydrophobicContact CB-CB 3.8Å; W6-R51 HydrophobicContact CB-CG 3.65Å; W6-R51 HydrophobicContact CD2-CB 4.24Å; W6-R51 HydrophobicContact CD2-CG 3.77Å; W6-R51 HydrophobicContact CE3-CG 4.01Å; W6-R51 HydrophobicContact CG-CB 3.68Å; W6-R51 HydrophobicContact CG-CG 3.59Å; Y7-R51 HydrophobicContact CE2-CB 3.87Å; Y7-R51 PolarHBondContact OH-O 2.66Å; G49-R51 PolarHBondContact O-N 2.68Å; R51-L53 PolarHBondContact O-N 3.38Å; R51-L53 VanDerWaalsContact O-N 3.16Å; R51-Q90 PolarHBondContact O-NE2 3.07Å; R51-Q90 PolarHBondContact O-OE1 3.37Å; R51-P125 PolarHBondContact NH2-O 3.13Å |
| 52 | S | 97.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 28.1 Ų | 28.1 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | trans | -74.4 | 102.6 | -175.4 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | A3 E55 Y56 | A3-S52 VanDerWaalsContact CB-O 3.31Å; A3-S52 WeakPolarHBondContact CB-O 3.33Å; S52-E55 WeakPolarHBondContact CB-OE2 3.34Å; S52-E55 WeakPolarHBondContact OG-CB 3.48Å; S52-E55 PolarHBondContact OG-N 2.89Å; S52-Y56 PolarHBondContact O-N 3.28Å; S52-Y56 VanDerWaalsContact O-N 3.16Å | ||
| 53 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 173.2 | 179.3 | 59.4 | 0 | 0 | 0 | 112.3 | Y7 I19 I32 V43 T46 R51 E55 Y56 I57 F91 | Y7-L53 HydrophobicContact CD1-CD1 4.11Å; Y7-L53 HydrophobicContact CE1-CB 4.45Å; Y7-L53 HydrophobicContact CE1-CD1 4Å; Y7-L53 HydrophobicContact CE2-CB 4.22Å; Y7-L53 HydrophobicContact CE2-CD1 4.43Å; Y7-L53 HydrophobicContact CG-CD1 4.38Å; I19-L53 HydrophobicContact CD1-CD1 4.32Å; I19-L53 HydrophobicContact CG2-CD1 4.05Å; I32-L53 HydrophobicContact CD1-CD2 4.2Å; I32-L53 HydrophobicContact CG2-CD2 3.94Å; V43-L53 HydrophobicContact CG2-CD2 4.2Å; T46-L53 HydrophobicContact CG2-CD2 4.42Å; R51-L53 PolarHBondContact O-N 3.38Å; R51-L53 VanDerWaalsContact O-N 3.16Å; L53-E55 VanDerWaalsContact C-N 3.34Å; L53-E55 PolarHBondContact O-N 2.88Å; L53-Y56 HydrophobicContact CD1-CD1 4.34Å; L53-Y56 WeakPolarHBondContact O-CB 3.5Å; L53-Y56 PolarHBondContact O-N 2.97Å; L53-I57 HydrophobicContact CD1-CD1 3.95Å; L53-I57 HydrophobicContact CD1-CG1 4.07Å; L53-I57 HydrophobicContact CG-CD1 3.84Å; L53-I57 HydrophobicContact CG-CG1 4.4Å; L53-I57 WeakPolarHBondContact O-CB 3.37Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 2.98Å; L53-F91 HydrophobicContact CB-CE2 4.46Å; L53-F91 HydrophobicContact CB-CZ 4.1Å; L53-F91 HydrophobicContact CD2-CE2 4.35Å; L53-F91 HydrophobicContact CD2-CZ 3.85Å; L53-F91 HydrophobicContact CG-CZ 3.97Å |
| 54 | P | 96.8 | Very high | 96 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 174.4 | -23.1 | 31.5 | 0 | 0 | 0 | 113.2 | Y56 I57 D58 Q90 F91 | P54-Y56 VanDerWaalsContact C-N 3.35Å; P54-Y56 PolarHBondContact O-N 3.49Å; P54-I57 PolarHBondContact O-N 2.86Å; P54-D58 WeakPolarHBondContact O-CB 3.46Å; P54-D58 PolarHBondContact O-N 3.39Å; P54-Q90 HydrophobicContact CG-CB 3.94Å; P54-F91 HydrophobicContact CB-CE1 4.43Å; P54-F91 HydrophobicContact CG-CD1 3.92Å; P54-F91 HydrophobicContact CG-CD2 4.28Å; P54-F91 HydrophobicContact CG-CE1 3.67Å; P54-F91 HydrophobicContact CG-CE2 4.03Å; P54-F91 HydrophobicContact CG-CG 4.23Å; P54-F91 HydrophobicContact CG-CZ 3.72Å |
| 55 | E | 95.8 | Very high | 95.3 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.1 | -176.7 | -171.5 | 164 | 0 | 0 | 111.1 | A3 S52 L53 D58 A59 | A3-E55 HydrophobicContact CB-CB 4.43Å; A3-E55 HydrophobicContact CB-CG 4.47Å; S52-E55 WeakPolarHBondContact CB-OE2 3.34Å; S52-E55 WeakPolarHBondContact OG-CB 3.48Å; S52-E55 PolarHBondContact OG-N 2.89Å; L53-E55 VanDerWaalsContact C-N 3.34Å; L53-E55 PolarHBondContact O-N 2.88Å; E55-D58 PolarHBondContact O-N 3.3Å; E55-A59 WeakPolarHBondContact O-CB 3.17Å; E55-A59 PolarHBondContact O-N 3.07Å |
| 56 | Y | 97.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.6 | 174.9 | -98.7 | 0 | 0 | 0 | 112.2 | Y7 A8 H9 I19 S52 L53 P54 N60 L62 | Y7-Y56 HydrophobicContact CD2-CD1 4.31Å; Y7-Y56 HydrophobicContact CD2-CD2 4.21Å; Y7-Y56 AromaticContact CD2-CG 3.84Å; Y7-Y56 HydrophobicContact CD2-CG 3.84Å; Y7-Y56 HydrophobicContact CG-CD1 4.14Å; Y7-Y56 HydrophobicContact CG-CD2 4.39Å; Y7-Y56 HydrophobicContact CG-CG 4.06Å; A8-Y56 VanDerWaalsContact CA-OH 3.27Å; A8-Y56 WeakPolarHBondContact CA-OH 3.42Å; H9-Y56 HydrophobicContact CB-CE1 4.34Å; H9-Y56 PolarHBondContact N-OH 2.95Å; H9-Y56 VanDerWaalsContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.78Å; H9-Y56 PolarHBondContact ND1-OH 3.35Å; I19-Y56 HydrophobicContact CG2-CD1 4.42Å; I19-Y56 HydrophobicContact CG2-CE1 4.03Å; S52-Y56 PolarHBondContact O-N 3.28Å; S52-Y56 VanDerWaalsContact O-N 3.16Å; L53-Y56 HydrophobicContact CD1-CD1 4.34Å; L53-Y56 WeakPolarHBondContact O-CB 3.5Å; L53-Y56 PolarHBondContact O-N 2.97Å; P54-Y56 VanDerWaalsContact C-N 3.35Å; P54-Y56 PolarHBondContact O-N 3.49Å; Y56-N60 VanDerWaalsContact CD2-ND2 3.33Å; Y56-N60 WeakPolarHBondContact CD2-ND2 3.46Å; Y56-N60 VanDerWaalsContact CE2-ND2 3.3Å; Y56-N60 WeakPolarHBondContact CE2-ND2 3.15Å; Y56-N60 WeakPolarHBondContact O-CB 3.47Å; Y56-N60 PolarHBondContact O-N 3.46Å; Y56-N60 PolarHBondContact O-ND2 3.43Å; Y56-L62 HydrophobicContact CE1-CD1 4.14Å |
| 57 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 179.3 | -74.5 | 171 | 0 | 0 | 0 | 110.6 | I19 L34 V43 L53 P54 G61 L62 L63 L73 | I19-I57 HydrophobicContact CD1-CD1 4.27Å; I19-I57 HydrophobicContact CD1-CG1 3.99Å; L34-I57 HydrophobicContact CD2-CD1 4.49Å; L34-I57 HydrophobicContact CD2-CG1 4.34Å; L34-I57 HydrophobicContact CD2-CG2 4.09Å; V43-I57 HydrophobicContact CG2-CD1 4.38Å; L53-I57 HydrophobicContact CD1-CD1 3.95Å; L53-I57 HydrophobicContact CD1-CG1 4.07Å; L53-I57 HydrophobicContact CG-CD1 3.84Å; L53-I57 HydrophobicContact CG-CG1 4.4Å; L53-I57 WeakPolarHBondContact O-CB 3.37Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 2.98Å; P54-I57 PolarHBondContact O-N 2.86Å; I57-G61 PolarHBondContact O-N 2.89Å; I57-L62 HydrophobicContact CG2-CB 4.13Å; I57-L62 WeakPolarHBondContact O-CB 3.45Å; I57-L62 PolarHBondContact O-N 2.89Å; I57-L63 HydrophobicContact CG2-CD1 4.32Å; I57-L63 HydrophobicContact CG2-CD2 3.39Å; I57-L63 HydrophobicContact CG2-CG 3.63Å; I57-L73 HydrophobicContact CD1-CD2 4.06Å; I57-L73 HydrophobicContact CG2-CD2 4.23Å |
| 58 | D | 93.1 | Very high | 92.3 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.6 | -51 | 179.4 | -174.6 | 57.1 | 0 | 0 | 0 | 112.2 | P54 E55 N60 G61 | P54-D58 WeakPolarHBondContact O-CB 3.46Å; P54-D58 PolarHBondContact O-N 3.39Å; E55-D58 PolarHBondContact O-N 3.3Å; D58-N60 PolarHBondContact O-N 3.25Å; D58-N60 VanDerWaalsContact O-N 3.12Å; D58-G61 PolarHBondContact O-N 2.74Å |
| 59 | A | 94.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62 | -25.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E55 | E55-A59 WeakPolarHBondContact O-CB 3.17Å; E55-A59 PolarHBondContact O-N 3.07Å |
| 60 | N | 95.6 | Very high | 89.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.9 | 176 | -72.8 | -88.7 | 0 | 0 | 0 | 113.2 | Y56 D58 L62 | Y56-N60 VanDerWaalsContact CD2-ND2 3.33Å; Y56-N60 WeakPolarHBondContact CD2-ND2 3.46Å; Y56-N60 VanDerWaalsContact CE2-ND2 3.3Å; Y56-N60 WeakPolarHBondContact CE2-ND2 3.15Å; Y56-N60 WeakPolarHBondContact O-CB 3.47Å; Y56-N60 PolarHBondContact O-N 3.46Å; Y56-N60 PolarHBondContact O-ND2 3.43Å; D58-N60 PolarHBondContact O-N 3.25Å; D58-N60 VanDerWaalsContact O-N 3.12Å; N60-L62 VanDerWaalsContact C-N 3.27Å; N60-L62 HydrophobicContact CB-CD1 4.2Å; N60-L62 HydrophobicContact CB-CD2 4.06Å; N60-L62 HydrophobicContact CB-CG 3.75Å; N60-L62 PolarHBondContact O-N 3.45Å |
| 61 | G | 93.2 | Very high | 87.9 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 36.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R36 I57 D58 | R36-G61 PolarHBondContact NH2-O 2.93Å; I57-G61 PolarHBondContact O-N 2.89Å; D58-G61 PolarHBondContact O-N 2.74Å |
| 62 | L | 94.9 | Very high | 86.9 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | trans | -84.5 | -11.2 | -174.8 | -56.4 | -173.5 | 0 | 0 | 0 | 113.6 | H9 F17 I19 L34 R36 Y56 I57 N60 | H9-L62 HydrophobicContact CB-CD1 4.4Å; F17-L62 HydrophobicContact CD1-CD2 4.31Å; F17-L62 HydrophobicContact CE1-CD2 4.23Å; I19-L62 HydrophobicContact CD1-CD1 4.3Å; L34-L62 HydrophobicContact CD2-CB 3.59Å; L34-L62 HydrophobicContact CD2-CD1 4.35Å; R36-L62 VanDerWaalsContact CZ-O 3.29Å; R36-L62 PolarHBondContact NE-O 2.88Å; R36-L62 PolarHBondContact NH2-O 2.83Å; R36-L62 VanDerWaalsContact NH2-O 3.15Å; Y56-L62 HydrophobicContact CE1-CD1 4.14Å; I57-L62 HydrophobicContact CG2-CB 4.13Å; I57-L62 WeakPolarHBondContact O-CB 3.45Å; I57-L62 PolarHBondContact O-N 2.89Å; N60-L62 VanDerWaalsContact C-N 3.27Å; N60-L62 HydrophobicContact CB-CD1 4.2Å; N60-L62 HydrophobicContact CB-CD2 4.06Å; N60-L62 HydrophobicContact CB-CG 3.75Å; N60-L62 PolarHBondContact O-N 3.45Å | ||
| 63 | L | 92.8 | Very high | 86.8 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -81.4 | 155.5 | 175.3 | -60 | 176.8 | 0 | 0 | 0 | 111.9 | D41 I57 P72 L73 | D41-L63 HydrophobicContact CB-CD2 4.16Å; D41-L63 WeakPolarHBondContact OD2-CA 3.18Å; D41-L63 WeakPolarHBondContact OD2-CB 3.16Å; D41-L63 WeakPolarHBondContact OD2-CD2 3.33Å; I57-L63 HydrophobicContact CG2-CD1 4.32Å; I57-L63 HydrophobicContact CG2-CD2 3.39Å; I57-L63 HydrophobicContact CG2-CG 3.63Å; L63-P72 HydrophobicContact CD1-CG 4.46Å; L63-L73 HydrophobicContact CD2-CB 4.42Å; L63-L73 HydrophobicContact CD2-CD1 4.12Å; L63-L73 HydrophobicContact CD2-CD2 4.2Å; L63-L73 HydrophobicContact CD2-CG 4.49Å |
| 64 | G | 87.5 | Confident | 86.8 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | trans | -61.2 | 140.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D41 R69 | D41-G64 PolarHBondContact OD2-N 2.88Å; G64-R69 VanDerWaalsContact N-NH1 3.16Å; G64-R69 PolarHBondContact O-NH1 3.47Å; G64-R69 VanDerWaalsContact O-NH1 3.08Å | ||
| 65 | K | 82.3 | Confident | 86.9 | Confident | 187 Ų | 187 | 67.8 Ų | 67.8 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | trans | -90.7 | 4 | -165.2 | -62.1 | -176.5 | 178.6 | -178.8 | 0 | 115.4 | P67 | K65-P67 VanDerWaalsContact O-CD 3.27Å; K65-P67 WeakPolarHBondContact O-CD 3.33Å | ||
| 66 | D | 82.4 | Confident | 87 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -67.2 | 116.6 | -178.1 | 178 | -6.4 | 0 | 0 | 0 | 110 | Q68 R69 | D66-Q68 PolarHBondContact O-N 2.83Å; D66-Q68 VanDerWaalsContact O-N 3.15Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.42Å; D66-Q68 PolarHBondContact OD1-N 3.19Å; D66-R69 HydrophobicContact CB-CG 3.84Å; D66-R69 WeakPolarHBondContact O-CB 3.49Å; D66-R69 WeakPolarHBondContact O-CG 3.3Å; D66-R69 PolarHBondContact O-N 3.28Å | ||
| 67 | P | 74.9 | Confident | 87 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 83% | 0.831 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -11.2 | -175.9 | 29 | -36.4 | 0 | 0 | 0 | 113.8 | K65 R69 | K65-P67 VanDerWaalsContact O-CD 3.27Å; K65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-R69 VanDerWaalsContact C-N 3.31Å |
| 68 | Q | 76.4 | Confident | 87.1 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 77% | 0.771 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11 | 176.2 | -60.4 | -168.9 | 9 | 0 | 0 | 113.2 | D66 K70 | D66-Q68 PolarHBondContact O-N 2.83Å; D66-Q68 VanDerWaalsContact O-N 3.15Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.42Å; D66-Q68 PolarHBondContact OD1-N 3.19Å; Q68-K70 PolarHBondContact O-N 3.35Å |
| 69 | R | 72.8 | Confident | 87.4 | Confident | 37 Ų | 37 | 57 Ų | 57 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | trans | -73.4 | 110.2 | -177.6 | -60.5 | 175.7 | 73.9 | -159.7 | 21.2 | 110.6 | G37 H39 Q40 D41 G64 D66 P67 P72 | G37-R69 PolarHBondContact O-NH2 2.93Å; H39-R69 PolarHBondContact O-NE 3.41Å; H39-R69 VanDerWaalsContact O-NE 3.1Å; H39-R69 PolarHBondContact O-NH2 3.49Å; Q40-R69 VanDerWaalsContact CA-NH2 3.34Å; D41-R69 VanDerWaalsContact CG-NH1 3.31Å; D41-R69 IonicContact OD1-CZ 3.43Å; D41-R69 IonicContact OD1-NH1 3.26Å; D41-R69 PolarHBondContact OD1-NH1 3.16Å; D41-R69 IonicContact OD1-NH2 2.72Å; D41-R69 PolarHBondContact OD1-NH2 3.21Å; D41-R69 IonicContact OD2-CZ 3.48Å; D41-R69 IonicContact OD2-NH1 2.78Å; D41-R69 PolarHBondContact OD2-NH1 3.16Å; D41-R69 IonicContact OD2-NH2 3.33Å; D41-R69 PolarHBondContact OD2-NH2 2.95Å; G64-R69 VanDerWaalsContact N-NH1 3.16Å; G64-R69 PolarHBondContact O-NH1 3.47Å; G64-R69 VanDerWaalsContact O-NH1 3.08Å; D66-R69 HydrophobicContact CB-CG 3.84Å; D66-R69 WeakPolarHBondContact O-CB 3.49Å; D66-R69 WeakPolarHBondContact O-CG 3.3Å; D66-R69 PolarHBondContact O-N 3.28Å; P67-R69 VanDerWaalsContact C-N 3.31Å; R69-P72 HydrophobicContact CB-CB 4.14Å; R69-P72 HydrophobicContact CB-CG 4.49Å; R69-P72 VanDerWaalsContact CZ-CB 3.4Å | ||
| 70 | K | 62.6 | Low | 87.6 | Confident | 197 Ų | 197 | 53.2 Ų | 53.2 | 86% | 0.857 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -96.9 | 116.6 | 173.5 | -63.7 | -177.6 | -177.9 | 179.3 | 0 | 108.4 | Q68 | Q68-K70 PolarHBondContact O-N 3.35Š|
| 71 | N | 64.4 | Low | 87.7 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 56.7 | 64.3 | -177.5 | -61.8 | -13.2 | 0 | 0 | 0 | 113.9 | L73 Q92 Q93 | N71-L73 VanDerWaalsContact C-N 3.3Å; N71-L73 PolarHBondContact O-N 2.81Å; N71-Q92 PolarHBondContact ND2-OE1 3.05Å; N71-Q93 PolarHBondContact O-NE2 3.01Å |
| 72 | P | 75.2 | Confident | 87.9 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | trans | -74.7 | -12.8 | -172.9 | 29.1 | -34.7 | 0 | 0 | 0 | 114.6 | Q40 D41 L63 R69 | Q40-P72 CarbonylContact C-O 3.6Å; Q40-P72 WeakPolarHBondContact CG-O 3.49Å; D41-P72 CarbonylContact C-O 3.57Å; D41-P72 WeakPolarHBondContact CA-O 3.33Å; D41-P72 PolarHBondContact N-O 2.9Å; L63-P72 HydrophobicContact CD1-CG 4.46Å; R69-P72 HydrophobicContact CB-CB 4.14Å; R69-P72 HydrophobicContact CB-CG 4.49Å; R69-P72 VanDerWaalsContact CZ-CB 3.4Å | ||
| 73 | L | 94.8 | Very high | 88.1 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 110.7 | -167.8 | -169.3 | 58.6 | 0 | 0 | 0 | 112.3 | L34 D41 V43 I57 L63 N71 F91 | L34-L73 HydrophobicContact CD1-CD1 3.83Å; D41-L73 HydrophobicContact CB-CD1 4.02Å; D41-L73 WeakPolarHBondContact O-CA 3.38Å; V43-L73 HydrophobicContact CB-CD1 4.15Å; V43-L73 HydrophobicContact CG1-CD1 4.1Å; V43-L73 HydrophobicContact CG1-CG 4.34Å; I57-L73 HydrophobicContact CD1-CD2 4.06Å; I57-L73 HydrophobicContact CG2-CD2 4.23Å; L63-L73 HydrophobicContact CD2-CB 4.42Å; L63-L73 HydrophobicContact CD2-CD1 4.12Å; L63-L73 HydrophobicContact CD2-CD2 4.2Å; L63-L73 HydrophobicContact CD2-CG 4.49Å; N71-L73 VanDerWaalsContact C-N 3.3Å; N71-L73 PolarHBondContact O-N 2.81Å; L73-F91 HydrophobicContact CD2-CD1 4.04Å; L73-F91 HydrophobicContact CD2-CE1 3.59Å; L73-F91 HydrophobicContact CG-CD1 4.21Å; L73-F91 HydrophobicContact CG-CE1 4.07Å |
| 74 | L | 97.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.9 | 169.1 | 171.5 | 63 | 0 | 0 | 0 | 109.1 | Q40 D41 V42 V43 I76 Q93 I151 | Q40-L74 HydrophobicContact CG-CB 4.37Å; D41-L74 PolarHBondContact O-N 2.86Å; V42-L74 CarbonylContact C-O 3.55Å; V42-L74 WeakPolarHBondContact CA-O 3.29Å; V42-L74 HydrophobicContact CG2-CB 4.36Å; V42-L74 HydrophobicContact CG2-CD2 4.44Å; V43-L74 PolarHBondContact N-O 2.86Å; L74-I76 HydrophobicContact CD1-CG1 4.42Å; L74-I76 HydrophobicContact CD2-CD1 3.86Å; L74-I76 HydrophobicContact CD2-CG1 4.02Å; L74-I76 HydrophobicContact CG-CD1 4.21Å; L74-I76 HydrophobicContact CG-CG1 3.82Å; L74-Q93 HydrophobicContact CB-CB 4.49Å; L74-Q93 HydrophobicContact CD1-CB 3.89Å; L74-I151 HydrophobicContact CD2-CG2 3.9Å |
| 75 | A | 98.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V43 T46 L88 F91 Q93 V94 G95 | V43-A75 HydrophobicContact CG1-CB 3.62Å; V43-A75 CarbonylContact O-C 3.57Å; V43-A75 WeakPolarHBondContact O-CA 3.46Å; T46-A75 HydrophobicContact CG2-CB 4.06Å; A75-L88 HydrophobicContact CB-CD2 3.97Å; A75-F91 HydrophobicContact CB-CB 3.85Å; A75-F91 HydrophobicContact CB-CD1 3.64Å; A75-F91 HydrophobicContact CB-CD2 3.72Å; A75-F91 HydrophobicContact CB-CE1 4.06Å; A75-F91 HydrophobicContact CB-CE2 4.16Å; A75-F91 HydrophobicContact CB-CG 3.45Å; A75-F91 VanDerWaalsContact CB-CG 3.45Å; A75-F91 HydrophobicContact CB-CZ 4.31Å; A75-Q93 PolarHBondContact N-O 3.18Å; A75-V94 CarbonylContact O-C 3.53Å; A75-V94 VanDerWaalsContact O-CA 3.27Å; A75-V94 WeakPolarHBondContact O-CA 2.88Å; A75-G95 PolarHBondContact O-N 2.72Å |
| 76 | I | 98.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.2 | 176.7 | -56.6 | -178.1 | 0 | 0 | 0 | 108.2 | V42 V43 I44 D45 L74 G95 L145 I151 I171 L173 | V42-I76 HydrophobicContact CG1-CD1 3.81Å; V42-I76 HydrophobicContact CG1-CG1 4.07Å; V43-I76 PolarHBondContact O-N 3.01Å; I44-I76 CarbonylContact C-O 3.59Å; I44-I76 WeakPolarHBondContact CA-O 3.35Å; D45-I76 PolarHBondContact N-O 3.21Å; L74-I76 HydrophobicContact CD1-CG1 4.42Å; L74-I76 HydrophobicContact CD2-CD1 3.86Å; L74-I76 HydrophobicContact CD2-CG1 4.02Å; L74-I76 HydrophobicContact CG-CD1 4.21Å; L74-I76 HydrophobicContact CG-CG1 3.82Å; I76-G95 VanDerWaalsContact CA-O 3.3Å; I76-G95 WeakPolarHBondContact CA-O 3.04Å; I76-L145 HydrophobicContact CD1-CD1 4.39Å; I76-L145 HydrophobicContact CG2-CD1 3.71Å; I76-I151 HydrophobicContact CD1-CD1 3.34Å; I76-I151 HydrophobicContact CD1-CG1 3.85Å; I76-I151 HydrophobicContact CD1-CG2 4.26Å; I76-I171 HydrophobicContact CG2-CD1 4.02Å; I76-L173 HydrophobicContact CB-CD1 4.37Å; I76-L173 HydrophobicContact CD1-CD1 4.24Å; I76-L173 HydrophobicContact CG2-CD1 4.06Å |
| 77 | A | 98.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | trans | -90.1 | 132.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | D45 H79 L88 G95 | D45-A77 WeakPolarHBondContact OD1-CA 3.28Å; A77-H79 PolarHBondContact O-N 3.5Å; A77-L88 HydrophobicContact CB-CD1 3.77Å; A77-L88 HydrophobicContact CB-CD2 4.15Å; A77-L88 HydrophobicContact CB-CG 4.31Å; A77-G95 PolarHBondContact N-O 3.38Å; A77-G95 VanDerWaalsContact N-O 3.13Å | ||
| 78 | T | 98.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -66.8 | -28.1 | 172.9 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | I44 D45 S170 I171 | I44-T78 HydrophobicContact CG2-CG2 3.65Å; D45-T78 PolarHBondContact OD1-N 2.92Å; D45-T78 PolarHBondContact OD1-OG1 2.9Å; D45-T78 PolarHBondContact OD2-OG1 2.81Å; T78-S170 CarbonylContact O-C 3.48Å; T78-S170 WeakPolarHBondContact O-CA 3.38Å; T78-I171 WeakPolarHBondContact O-CG1 3.39Å; T78-I171 PolarHBondContact O-N 3.4Å |
| 79 | H | 98.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -167.4 | 174.6 | 172.2 | 62.6 | -61.2 | 0 | 0 | 0 | 110.9 | A77 H81 H84 H166 S167 | A77-H79 PolarHBondContact O-N 3.5Å; H79-H81 AromaticContact CD2-CD2 3.83Å; H79-H81 AromaticContact CD2-CE1 3.73Å; H79-H81 AromaticContact CD2-CG 3.27Å; H79-H81 AromaticContact CD2-ND1 3.21Å; H79-H81 PolarHBondContact CD2-ND1 3.12Å; H79-H81 VanDerWaalsContact NE2-CB 3.34Å; H79-H81 WeakPolarHBondContact NE2-CB 3.36Å; H79-H81 AromaticContact NE2-CE1 3.85Å; H79-H81 AromaticContact NE2-CG 3.27Å; H79-H81 VanDerWaalsContact NE2-CG 3.27Å; H79-H81 AromaticContact NE2-ND1 2.97Å; H79-H81 PolarHBondContact NE2-ND1 3.16Å; H79-H81 PolarHBondContact O-N 3.05Å; H79-H84 AromaticContact CE1-CD2 3.17Å; H79-H84 PolarHBondContact CE1-CD2 3.37Å; H79-H84 AromaticContact CE1-CE1 3.65Å; H79-H84 AromaticContact CE1-CG 3.4Å; H79-H84 AromaticContact CE1-ND1 3.68Å; H79-H84 AromaticContact CE1-NE2 3.35Å; H79-H84 PolarHBondContact CE1-NE2 3.23Å; H79-H84 AromaticContact ND1-CG 3.88Å; H79-H84 AromaticContact NE2-CD2 3.65Å; H79-H84 AromaticContact NE2-NE2 3.96Å; H79-H166 AromaticContact CD2-CD2 3.72Å; H79-H166 AromaticContact CD2-NE2 3.91Å; H79-H166 AromaticContact NE2-CD2 3.56Å; H79-H166 AromaticContact NE2-NE2 3.4Å; H79-H166 PolarHBondContact NE2-NE2 3Å; H79-S167 VanDerWaalsContact CB-OG 3.27Å; H79-S167 WeakPolarHBondContact CB-OG 3.37Å |
| 80 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -79.5 | -3.8 | -172 | 0 | 0 | 0 | 0 | 0 | 116.5 | S85 E100 A103 L104 T112 | A80-S85 PolarHBondContact O-OG 2.79Å; A80-E100 WeakPolarHBondContact CA-OE2 3.48Å; A80-E100 HydrophobicContact CB-CB 4.27Å; A80-E100 WeakPolarHBondContact CB-OE2 3.26Å; A80-E100 PolarHBondContact N-OE2 2.93Å; A80-A103 HydrophobicContact CB-CB 4.03Å; A80-L104 HydrophobicContact CB-CD1 4.12Å; A80-L104 HydrophobicContact CB-CD2 3.75Å; A80-L104 HydrophobicContact CB-CG 3.76Å; A80-T112 HydrophobicContact CB-CG2 4.15Å; A80-T112 WeakPolarHBondContact O-CA 3.39Å; A80-T112 WeakPolarHBondContact O-CB 3.42Å; A80-T112 WeakPolarHBondContact O-CG2 3.31Å |
| 81 | H | 98.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 3% | 0.032 | 7% | 0.073 | C | C | . | . | trans | -59.6 | 145.9 | -176.8 | -64.3 | 165 | 0 | 0 | 0 | 112.6 | H79 D83 H84 S85 T112 V113 H166 L196 | H79-H81 AromaticContact CD2-CD2 3.83Å; H79-H81 AromaticContact CD2-CE1 3.73Å; H79-H81 AromaticContact CD2-CG 3.27Å; H79-H81 AromaticContact CD2-ND1 3.21Å; H79-H81 PolarHBondContact CD2-ND1 3.12Å; H79-H81 VanDerWaalsContact NE2-CB 3.34Å; H79-H81 WeakPolarHBondContact NE2-CB 3.36Å; H79-H81 AromaticContact NE2-CE1 3.85Å; H79-H81 AromaticContact NE2-CG 3.27Å; H79-H81 VanDerWaalsContact NE2-CG 3.27Å; H79-H81 AromaticContact NE2-ND1 2.97Å; H79-H81 PolarHBondContact NE2-ND1 3.16Å; H79-H81 PolarHBondContact O-N 3.05Å; H81-D83 VanDerWaalsContact C-N 3.25Å; H81-D83 PolarHBondContact O-N 2.86Å; H81-D83 VanDerWaalsContact O-N 3.16Å; H81-H84 PolarHBondContact O-N 2.93Å; H81-S85 PolarHBondContact O-N 2.79Å; H81-S85 PolarHBondContact O-OG 2.89Å; H81-S85 VanDerWaalsContact O-OG 3.05Å; H81-T112 CarbonylContact C-O 3.21Å; H81-T112 WeakPolarHBondContact CA-O 3.45Å; H81-V113 VanDerWaalsContact CD2-CG2 3.42Å; H81-V113 WeakPolarHBondContact CD2-CG2 3.49Å; H81-V113 WeakPolarHBondContact NE2-CG2 3.27Å; H81-H166 AromaticContact CE1-CD2 3.61Å; H81-H166 AromaticContact CE1-CE1 3.66Å; H81-H166 AromaticContact CE1-NE2 3.03Å; H81-H166 PolarHBondContact CE1-NE2 3Å; H81-H166 AromaticContact ND1-CD2 3.8Å; H81-H166 AromaticContact ND1-CE1 3.85Å; H81-H166 AromaticContact ND1-NE2 2.99Å; H81-H166 PolarHBondContact ND1-NE2 2.81Å; H81-L196 VanDerWaalsContact CE1-CD1 3.5Å; H81-L196 WeakPolarHBondContact CE1-CD1 3.27Å | ||
| 82 | F | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.6 | -27.8 | -161.6 | 72.1 | -77.7 | 0 | 0 | 0 | 115.6 | L48 G86 T112 V113 T114 W115 L116 Y134 V136 | L48-F82 HydrophobicContact CD2-CD2 3.53Å; L48-F82 HydrophobicContact CD2-CE2 3.51Å; F82-G86 VanDerWaalsContact O-CA 3.31Å; F82-G86 WeakPolarHBondContact O-CA 3.41Å; F82-G86 PolarHBondContact O-N 3.3Å; F82-G86 VanDerWaalsContact O-N 3.08Å; F82-T112 WeakPolarHBondContact CB-O 3.46Å; F82-T112 PolarHBondContact N-O 2.75Å; F82-V113 WeakPolarHBondContact CD1-O 3.42Å; F82-V113 VanDerWaalsContact CE1-O 3.26Å; F82-V113 WeakPolarHBondContact CE1-O 3.38Å; F82-T114 HydrophobicContact CB-CG2 4.43Å; F82-W115 WeakPolarHBondContact CE2-O 3.28Å; F82-W115 WeakPolarHBondContact CZ-O 3.13Å; F82-L116 HydrophobicContact CE2-CD1 4.48Å; F82-Y134 HydrophobicContact CB-CE1 4.07Å; F82-Y134 AromaticContact CD2-CE1 3.71Å; F82-Y134 HydrophobicContact CD2-CE1 3.71Å; F82-Y134 HydrophobicContact CG-CE1 4.29Å; F82-Y134 PolarHBondContact O-OH 2.84Å; F82-Y134 VanDerWaalsContact O-OH 3.11Å; F82-V136 HydrophobicContact CB-CG2 3.49Å; F82-V136 VanDerWaalsContact CB-CG2 3.49Å |
| 83 | D | 97.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.043 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -82.1 | -15.2 | 178.2 | 51.1 | -32.7 | 0 | 0 | 0 | 112.4 | Y24 N28 A30 G47 L48 H81 H227 | Y24-D83 HydrophobicContact CE1-CB 4.39Å; N28-D83 WeakPolarHBondContact O-CB 3.46Å; A30-D83 HydrophobicContact CB-CB 4.41Å; A30-D83 WeakPolarHBondContact CB-O 3.39Å; G47-D83 CarbonylContact C-O 3.57Å; G47-D83 VanDerWaalsContact C-O 3.28Å; G47-D83 WeakPolarHBondContact CA-O 3.3Å; G47-D83 PolarHBondContact N-O 3.13Å; L48-D83 HydrophobicContact CD2-CB 4.38Å; H81-D83 VanDerWaalsContact C-N 3.25Å; H81-D83 PolarHBondContact O-N 2.86Å; H81-D83 VanDerWaalsContact O-N 3.16Å; D83-H227 IonicContact OD2-CE1 3.82Å; D83-H227 PolarHBondContact OD2-CE1 2.94Å; D83-H227 IonicContact OD2-NE2 3.57Å |
| 84 | H | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -101.5 | -39.9 | 172.9 | -60.8 | -96.3 | 0 | 0 | 0 | 111.6 | D45 T46 H79 H81 D185 H227 | D45-H84 CarbonylContact C-O 3.43Å; D45-H84 HydrophobicContact CB-CB 4.09Å; D45-H84 VanDerWaalsContact CG-ND1 3.29Å; D45-H84 IonicContact OD1-ND1 3.16Å; D45-H84 IonicContact OD2-CE1 2.99Å; D45-H84 IonicContact OD2-CG 2.85Å; D45-H84 IonicContact OD2-ND1 2.77Å; D45-H84 PolarHBondContact OD2-ND1 2.96Å; T46-H84 PolarHBondContact N-O 2.88Å; T46-H84 PolarHBondContact OG1-O 3.46Å; H79-H84 AromaticContact CE1-CD2 3.17Å; H79-H84 PolarHBondContact CE1-CD2 3.37Å; H79-H84 AromaticContact CE1-CE1 3.65Å; H79-H84 AromaticContact CE1-CG 3.4Å; H79-H84 AromaticContact CE1-ND1 3.68Å; H79-H84 AromaticContact CE1-NE2 3.35Å; H79-H84 PolarHBondContact CE1-NE2 3.23Å; H79-H84 AromaticContact ND1-CG 3.88Å; H79-H84 AromaticContact NE2-CD2 3.65Å; H79-H84 AromaticContact NE2-NE2 3.96Å; H81-H84 PolarHBondContact O-N 2.93Å; H84-D185 IonicContact CE1-OD1 2.68Å; H84-D185 PolarHBondContact CE1-OD1 3.3Å; H84-D185 VanDerWaalsContact CE1-OD1 3.26Å; H84-D185 IonicContact NE2-OD1 3.75Å; H84-D185 PolarHBondContact NE2-OD1 2.81Å; H84-H227 AromaticContact CE1-NE2 3.79Å; H84-H227 AromaticContact NE2-CE1 3.66Å; H84-H227 AromaticContact NE2-NE2 3.28Å; H84-H227 PolarHBondContact NE2-NE2 3.09Å |
| 85 | S | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -100.7 | -11.3 | -170.4 | 73.3 | 0 | 0 | 0 | 0 | 114.9 | A80 H81 G87 L88 | A80-S85 PolarHBondContact O-OG 2.79Å; H81-S85 PolarHBondContact O-N 2.79Å; H81-S85 PolarHBondContact O-OG 2.89Å; H81-S85 VanDerWaalsContact O-OG 3.05Å; S85-G87 PolarHBondContact O-N 3.27Å; S85-G87 VanDerWaalsContact O-N 3.13Å; S85-L88 WeakPolarHBondContact O-CB 3.43Å; S85-L88 VanDerWaalsContact O-CG 3.31Å; S85-L88 WeakPolarHBondContact O-CG 3.47Å; S85-L88 PolarHBondContact O-N 2.91Å |
| 86 | G | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G47 F82 H89 | G47-G86 WeakPolarHBondContact O-CA 3.46Å; G47-G86 PolarHBondContact O-N 3.29Å; G47-G86 VanDerWaalsContact O-N 3.16Å; F82-G86 VanDerWaalsContact O-CA 3.31Å; F82-G86 WeakPolarHBondContact O-CA 3.41Å; F82-G86 PolarHBondContact O-N 3.3Å; F82-G86 VanDerWaalsContact O-N 3.08Å; G86-H89 PolarHBondContact O-CE1 2.98Å; G86-H89 PolarHBondContact O-ND1 2.9Å |
| 87 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | T46 G47 S85 H89 Q90 F91 | T46-G87 VanDerWaalsContact OG1-CA 3.26Å; T46-G87 WeakPolarHBondContact OG1-CA 3.3Å; T46-G87 PolarHBondContact OG1-N 3.44Å; G47-G87 PolarHBondContact O-N 3.45Å; S85-G87 PolarHBondContact O-N 3.27Å; S85-G87 VanDerWaalsContact O-N 3.13Å; G87-H89 PolarHBondContact O-N 2.87Å; G87-H89 VanDerWaalsContact O-N 3.12Å; G87-Q90 VanDerWaalsContact O-CB 3.28Å; G87-Q90 WeakPolarHBondContact O-CB 3.21Å; G87-Q90 VanDerWaalsContact O-CG 3.29Å; G87-Q90 WeakPolarHBondContact O-CG 3.44Å; G87-Q90 PolarHBondContact O-N 3.31Å; G87-F91 WeakPolarHBondContact O-CD2 3.5Å; G87-F91 WeakPolarHBondContact O-CE2 3.26Å |
| 88 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -56.1 | -36 | -173.7 | -71.5 | 178.4 | 0 | 0 | 0 | 113.6 | T46 A75 A77 S85 Q90 F91 V94 V96 L104 V139 | T46-L88 HydrophobicContact CG2-CD2 3.83Å; T46-L88 HydrophobicContact CG2-CG 4.47Å; T46-L88 PolarHBondContact OG1-N 2.9Å; T46-L88 VanDerWaalsContact OG1-N 3.16Å; A75-L88 HydrophobicContact CB-CD2 3.97Å; A77-L88 HydrophobicContact CB-CD1 3.77Å; A77-L88 HydrophobicContact CB-CD2 4.15Å; A77-L88 HydrophobicContact CB-CG 4.31Å; S85-L88 WeakPolarHBondContact O-CB 3.43Å; S85-L88 VanDerWaalsContact O-CG 3.31Å; S85-L88 WeakPolarHBondContact O-CG 3.47Å; S85-L88 PolarHBondContact O-N 2.91Å; L88-Q90 PolarHBondContact O-N 2.85Å; L88-F91 PolarHBondContact O-N 3.13Å; L88-V94 HydrophobicContact CB-CG1 4.34Å; L88-V94 HydrophobicContact CB-CG2 4.29Å; L88-V94 HydrophobicContact CD1-CG1 4.03Å; L88-V94 HydrophobicContact CD2-CG1 3.99Å; L88-V94 HydrophobicContact CD2-CG2 4.39Å; L88-V94 HydrophobicContact CG-CG1 4.36Å; L88-V94 WeakPolarHBondContact O-CG2 3.35Å; L88-V96 HydrophobicContact CD1-CG1 4.17Å; L88-L104 HydrophobicContact CD1-CD1 3.86Å; L88-L104 HydrophobicContact CD1-CD2 4.39Å; L88-V139 HydrophobicContact CB-CG1 3.93Å; L88-V139 HydrophobicContact CB-CG2 4.49Å; L88-V139 HydrophobicContact CD1-CG1 4.19Å |
| 89 | H | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 19.7 Ų | 19.7 | 26% | 0.259 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -59 | -12.5 | 179.1 | 74.8 | -87.2 | 0 | 0 | 0 | 114.5 | G86 G87 K137 | G86-H89 PolarHBondContact O-CE1 2.98Å; G86-H89 PolarHBondContact O-ND1 2.9Å; G87-H89 PolarHBondContact O-N 2.87Å; G87-H89 VanDerWaalsContact O-N 3.12Å; H89-K137 HydrophobicContact CB-CB 3.98Å; H89-K137 PolarHBondContact NE2-NZ 3.45Å |
| 90 | Q | 97.7 | Very high | 98 | Very high | 46 Ų | 46 | 19.7 Ų | 19.7 | 22% | 0.215 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -87.5 | -10.8 | 179.8 | -54.7 | 175.1 | -3.1 | 0 | 0 | 112.5 | G49 R51 P54 G87 L88 | G49-Q90 PolarHBondContact O-NE2 2.85Å; R51-Q90 PolarHBondContact O-NE2 3.07Å; R51-Q90 PolarHBondContact O-OE1 3.37Å; P54-Q90 HydrophobicContact CG-CB 3.94Å; G87-Q90 VanDerWaalsContact O-CB 3.28Å; G87-Q90 WeakPolarHBondContact O-CB 3.21Å; G87-Q90 VanDerWaalsContact O-CG 3.29Å; G87-Q90 WeakPolarHBondContact O-CG 3.44Å; G87-Q90 PolarHBondContact O-N 3.31Å; L88-Q90 PolarHBondContact O-N 2.85Å |
| 91 | F | 97.4 | Very high | 98 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.088 | 11% | 0.11 | C | C | . | . | trans | -105.9 | 144.9 | -173 | -64 | -96.5 | 0 | 0 | 0 | 111.6 | V43 T46 L53 P54 L73 A75 G87 L88 V94 | V43-F91 HydrophobicContact CG1-CD1 4.26Å; V43-F91 HydrophobicContact CG1-CE1 3.55Å; V43-F91 HydrophobicContact CG1-CZ 3.82Å; T46-F91 HydrophobicContact CG2-CD2 4.18Å; T46-F91 HydrophobicContact CG2-CE2 3.58Å; T46-F91 HydrophobicContact CG2-CZ 4.12Å; L53-F91 HydrophobicContact CB-CE2 4.46Å; L53-F91 HydrophobicContact CB-CZ 4.1Å; L53-F91 HydrophobicContact CD2-CE2 4.35Å; L53-F91 HydrophobicContact CD2-CZ 3.85Å; L53-F91 HydrophobicContact CG-CZ 3.97Å; P54-F91 HydrophobicContact CB-CE1 4.43Å; P54-F91 HydrophobicContact CG-CD1 3.92Å; P54-F91 HydrophobicContact CG-CD2 4.28Å; P54-F91 HydrophobicContact CG-CE1 3.67Å; P54-F91 HydrophobicContact CG-CE2 4.03Å; P54-F91 HydrophobicContact CG-CG 4.23Å; P54-F91 HydrophobicContact CG-CZ 3.72Å; L73-F91 HydrophobicContact CD2-CD1 4.04Å; L73-F91 HydrophobicContact CD2-CE1 3.59Å; L73-F91 HydrophobicContact CG-CD1 4.21Å; L73-F91 HydrophobicContact CG-CE1 4.07Å; A75-F91 HydrophobicContact CB-CB 3.85Å; A75-F91 HydrophobicContact CB-CD1 3.64Å; A75-F91 HydrophobicContact CB-CD2 3.72Å; A75-F91 HydrophobicContact CB-CE1 4.06Å; A75-F91 HydrophobicContact CB-CE2 4.16Å; A75-F91 HydrophobicContact CB-CG 3.45Å; A75-F91 VanDerWaalsContact CB-CG 3.45Å; A75-F91 HydrophobicContact CB-CZ 4.31Å; G87-F91 WeakPolarHBondContact O-CD2 3.5Å; G87-F91 WeakPolarHBondContact O-CE2 3.26Å; L88-F91 PolarHBondContact O-N 3.13Å; F91-V94 HydrophobicContact CB-CG2 4Å | ||
| 92 | Q | 94.9 | Very high | 97.9 | Very high | 145 Ų | 145 | 25.8 Ų | 25.8 | 68% | 0.678 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -77.3 | -31.7 | 175 | -67.7 | -174 | -6.9 | 0 | 0 | 112.6 | N71 T142 | N71-Q92 PolarHBondContact ND2-OE1 3.05Å; Q92-T142 WeakPolarHBondContact O-CG2 3.34Å |
| 93 | Q | 96.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.2 | 178.3 | -71.4 | 175 | 94.3 | 0 | 0 | 108.7 | N71 L74 A75 T142 | N71-Q93 PolarHBondContact O-NE2 3.01Å; L74-Q93 HydrophobicContact CB-CB 4.49Å; L74-Q93 HydrophobicContact CD1-CB 3.89Å; A75-Q93 PolarHBondContact N-O 3.18Å; Q93-T142 WeakPolarHBondContact CA-OG1 3.49Å |
| 94 | V | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.7 | -178.5 | 170.8 | 0 | 0 | 0 | 0 | 109.3 | A75 L88 F91 V96 V139 P141 T142 H143 | A75-V94 CarbonylContact O-C 3.53Å; A75-V94 VanDerWaalsContact O-CA 3.27Å; A75-V94 WeakPolarHBondContact O-CA 2.88Å; L88-V94 HydrophobicContact CB-CG1 4.34Å; L88-V94 HydrophobicContact CB-CG2 4.29Å; L88-V94 HydrophobicContact CD1-CG1 4.03Å; L88-V94 HydrophobicContact CD2-CG1 3.99Å; L88-V94 HydrophobicContact CD2-CG2 4.39Å; L88-V94 HydrophobicContact CG-CG1 4.36Å; L88-V94 WeakPolarHBondContact O-CG2 3.35Å; F91-V94 HydrophobicContact CB-CG2 4Å; V94-V96 HydrophobicContact CG1-CG1 3.83Å; V94-V139 HydrophobicContact CB-CG2 4.4Å; V94-V139 HydrophobicContact CG1-CG2 4.41Å; V94-V139 HydrophobicContact CG2-CG2 3.96Å; V94-P141 HydrophobicContact CG1-CB 4.42Å; V94-T142 PolarHBondContact N-OG1 3.3Å; V94-T142 PolarHBondContact O-N 2.78Å; V94-T142 PolarHBondContact O-OG1 3Å; V94-H143 PolarHBondContact O-N 2.77Å |
| 95 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A75 I76 A77 H143 | A75-G95 PolarHBondContact O-N 2.72Å; I76-G95 VanDerWaalsContact CA-O 3.3Å; I76-G95 WeakPolarHBondContact CA-O 3.04Å; A77-G95 PolarHBondContact N-O 3.38Å; A77-G95 VanDerWaalsContact N-O 3.13Å; G95-H143 VanDerWaalsContact CA-O 3.3Å; G95-H143 WeakPolarHBondContact CA-O 3.4Å |
| 96 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.9 | 176.9 | -49.7 | 0 | 0 | 0 | 0 | 109 | L88 V94 V101 L104 P141 H143 L145 | L88-V96 HydrophobicContact CD1-CG1 4.17Å; V94-V96 HydrophobicContact CG1-CG1 3.83Å; V96-V101 HydrophobicContact CG2-CB 4.49Å; V96-V101 HydrophobicContact CG2-CG2 3.63Å; V96-L104 HydrophobicContact CB-CD1 4.07Å; V96-L104 HydrophobicContact CG1-CD1 3.5Å; V96-L104 HydrophobicContact CG2-CD1 4.49Å; V96-P141 HydrophobicContact CB-CG 4.45Å; V96-P141 HydrophobicContact CG1-CB 4.3Å; V96-P141 HydrophobicContact CG1-CG 4.2Å; V96-P141 HydrophobicContact CG2-CB 3.57Å; V96-P141 HydrophobicContact CG2-CG 3.38Å; V96-H143 PolarHBondContact N-O 2.84Å; V96-H143 VanDerWaalsContact N-O 3.11Å; V96-L145 PolarHBondContact O-N 3.18Å |
| 97 | H | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 143.1 | 173 | -171.8 | -97.8 | 0 | 0 | 0 | 111 | A99 E100 L145 H162 G169 I171 | H97-A99 WeakPolarHBondContact ND1-CB 3.48Å; H97-A99 PolarHBondContact ND1-N 3.18Å; H97-A99 PolarHBondContact O-N 3.3Å; H97-E100 PolarHBondContact O-N 3.13Å; H97-L145 WeakPolarHBondContact CA-O 3.42Å; H97-L145 PolarHBondContact CD2-O 2.9Å; H97-H162 AromaticContact CD2-CD2 3.98Å; H97-H162 AromaticContact CE1-CD2 3.43Å; H97-H162 PolarHBondContact CE1-CD2 2.79Å; H97-H162 VanDerWaalsContact CE1-CD2 3.43Å; H97-H162 AromaticContact CE1-CE1 3.75Å; H97-H162 AromaticContact CE1-CG 3.73Å; H97-H162 AromaticContact CE1-ND1 3.93Å; H97-H162 AromaticContact CE1-NE2 3.45Å; H97-H162 PolarHBondContact CE1-NE2 3.47Å; H97-H162 AromaticContact ND1-CD2 3.91Å; H97-H162 AromaticContact ND1-NE2 3.96Å; H97-H162 AromaticContact NE2-CD2 3.46Å; H97-H162 PolarHBondContact NE2-CD2 2.99Å; H97-H162 AromaticContact NE2-CG 3.42Å; H97-H162 AromaticContact NE2-ND1 3.89Å; H97-H162 AromaticContact NE2-NE2 3.93Å; H97-G169 WeakPolarHBondContact CB-O 3.33Å; H97-G169 WeakPolarHBondContact ND1-CA 3.22Å; H97-I171 HydrophobicContact CB-CG2 3.79Å |
| 98 | S | 98.6 | Very high | 97 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -51 | -36 | -177.2 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | E100 V101 L145 Q146 | S98-E100 VanDerWaalsContact C-N 3.28Å; S98-E100 PolarHBondContact O-N 2.86Å; S98-V101 PolarHBondContact O-N 2.65Å; S98-L145 PolarHBondContact N-O 3.45Å; S98-Q146 PolarHBondContact OG-NE2 3.24Å; S98-Q146 PolarHBondContact OG-OE1 3.08Å |
| 99 | A | 98.3 | Very high | 96.7 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -67.4 | -23.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H97 R168 | H97-A99 WeakPolarHBondContact ND1-CB 3.48Å; H97-A99 PolarHBondContact ND1-N 3.18Å; H97-A99 PolarHBondContact O-N 3.3Å; A99-R168 HydrophobicContact CB-CB 4.23Å; A99-R168 HydrophobicContact CB-CG 3.87Å; A99-R168 WeakPolarHBondContact O-CD 3.43Å |
| 100 | E | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -96.9 | -6.6 | -176 | -59 | -70 | 139.3 | 0 | 0 | 113 | A80 H97 S98 D102 A103 L104 S167 R168 G169 | A80-E100 WeakPolarHBondContact CA-OE2 3.48Å; A80-E100 HydrophobicContact CB-CB 4.27Å; A80-E100 WeakPolarHBondContact CB-OE2 3.26Å; A80-E100 PolarHBondContact N-OE2 2.93Å; H97-E100 PolarHBondContact O-N 3.13Å; S98-E100 VanDerWaalsContact C-N 3.28Å; S98-E100 PolarHBondContact O-N 2.86Å; E100-D102 PolarHBondContact O-N 3Å; E100-A103 PolarHBondContact O-N 3.42Å; E100-L104 PolarHBondContact O-N 3.01Å; E100-S167 WeakPolarHBondContact OE1-CB 3.49Å; E100-S167 PolarHBondContact OE1-OG 2.92Å; E100-S167 VanDerWaalsContact OE1-OG 3.13Å; E100-R168 WeakPolarHBondContact OE1-CG 3.46Å; E100-R168 PolarHBondContact OE1-N 2.81Å; E100-G169 WeakPolarHBondContact OE1-CA 3.45Å; E100-G169 PolarHBondContact OE1-N 3.16Å |
| 101 | V | 97.9 | Very high | 96.3 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | -173.8 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | V96 S98 A103 L104 A105 P141 I144 | V96-V101 HydrophobicContact CG2-CB 4.49Å; V96-V101 HydrophobicContact CG2-CG2 3.63Å; S98-V101 PolarHBondContact O-N 2.65Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 3.44Å; V101-L104 PolarHBondContact O-N 3.14Å; V101-A105 WeakPolarHBondContact O-CB 3.15Å; V101-A105 PolarHBondContact O-N 3.22Å; V101-P141 HydrophobicContact CG1-CG 4.29Å; V101-P141 HydrophobicContact CG2-CG 4.36Å; V101-I144 HydrophobicContact CG2-CG1 4.28Å; V101-I144 HydrophobicContact CG2-CG2 4.21Å |
| 102 | D | 97.1 | Very high | 96.2 | Very high | 112 Ų | 112 | 31.5 Ų | 31.5 | 60% | 0.599 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.6 | -38.7 | -175.4 | -72.8 | -19.8 | 0 | 0 | 0 | 112.4 | E100 N106 | E100-D102 PolarHBondContact O-N 3Å; D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 3.27Å; D102-N106 PolarHBondContact O-ND2 3.07Å |
| 103 | A | 95.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A80 E100 V101 G107 D108 E111 | A80-A103 HydrophobicContact CB-CB 4.03Å; E100-A103 PolarHBondContact O-N 3.42Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 3.44Å; A103-G107 WeakPolarHBondContact O-CA 3.45Å; A103-G107 PolarHBondContact O-N 2.93Å; A103-D108 PolarHBondContact O-N 2.64Å; A103-E111 HydrophobicContact CB-CB 3.97Å; A103-E111 VanDerWaalsContact CB-CD 3.43Å; A103-E111 HydrophobicContact CB-CG 3.66Å |
| 104 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -79.2 | -36.1 | -175.3 | -65 | 174.5 | 0 | 0 | 0 | 112.6 | A80 L88 V96 E100 V101 N106 G107 T112 V136 A138 V139 | A80-L104 HydrophobicContact CB-CD1 4.12Å; A80-L104 HydrophobicContact CB-CD2 3.75Å; A80-L104 HydrophobicContact CB-CG 3.76Å; L88-L104 HydrophobicContact CD1-CD1 3.86Å; L88-L104 HydrophobicContact CD1-CD2 4.39Å; V96-L104 HydrophobicContact CB-CD1 4.07Å; V96-L104 HydrophobicContact CG1-CD1 3.5Å; V96-L104 HydrophobicContact CG2-CD1 4.49Å; E100-L104 PolarHBondContact O-N 3.01Å; V101-L104 PolarHBondContact O-N 3.14Å; L104-N106 PolarHBondContact O-N 3.33Å; L104-G107 PolarHBondContact O-N 3.28Å; L104-T112 HydrophobicContact CD2-CG2 4.17Å; L104-V136 HydrophobicContact CD2-CG1 4.34Å; L104-A138 CarbonylContact O-C 3.53Å; L104-A138 VanDerWaalsContact O-CA 3.28Å; L104-A138 WeakPolarHBondContact O-CA 3.36Å; L104-V139 CarbonylContact C-O 3.59Å; L104-V139 HydrophobicContact CB-CG1 4.11Å; L104-V139 PolarHBondContact O-N 2.88Å |
| 105 | A | 97.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -30.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V101 A138 V139 Q140 | V101-A105 WeakPolarHBondContact O-CB 3.15Å; V101-A105 PolarHBondContact O-N 3.22Å; A105-A138 WeakPolarHBondContact O-CB 3.36Å; A105-V139 VanDerWaalsContact CA-O 3.3Å; A105-V139 WeakPolarHBondContact CA-O 3.29Å; A105-V139 PolarHBondContact N-O 2.93Å; A105-Q140 PolarHBondContact O-NE2 3.16Å |
| 106 | N | 95.1 | Very high | 95.3 | Very high | 123 Ų | 123 | 27.7 Ų | 27.7 | 66% | 0.658 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -102.6 | -9.3 | -179.4 | -64.8 | -60.4 | 0 | 0 | 0 | 114 | D102 L104 D108 | D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 3.27Å; D102-N106 PolarHBondContact O-ND2 3.07Å; L104-N106 PolarHBondContact O-N 3.33Å; N106-D108 VanDerWaalsContact C-N 3.32Å |
| 107 | G | 91.9 | Very high | 95 | Very high | 9 Ų | 9 | 30 Ų | 30 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 44.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112 | A103 L104 N109 | A103-G107 WeakPolarHBondContact O-CA 3.45Å; A103-G107 PolarHBondContact O-N 2.93Å; L104-G107 PolarHBondContact O-N 3.28Å; G107-N109 PolarHBondContact O-N 2.86Å; G107-N109 PolarHBondContact O-ND2 3.37Å |
| 108 | D | 93.5 | Very high | 94.8 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | trans | -70.2 | 92.9 | -178 | -172.7 | -12.7 | 0 | 0 | 0 | 110.9 | A103 N106 F110 E111 T112 | A103-D108 PolarHBondContact O-N 2.64Å; N106-D108 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.16Å; D108-F110 VanDerWaalsContact OD1-CB 3.32Å; D108-F110 WeakPolarHBondContact OD1-CB 3.49Å; D108-F110 PolarHBondContact OD1-N 3.17Å; D108-E111 HydrophobicContact CB-CB 4.26Å; D108-E111 PolarHBondContact O-N 2.72Å; D108-T112 WeakPolarHBondContact O-CG2 3.31Å; D108-T112 PolarHBondContact O-N 2.89Å; D108-T112 PolarHBondContact O-OG1 3.1Å | ||
| 109 | N | 91.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.3 | -178.7 | -67.3 | -80.7 | 0 | 0 | 0 | 114.4 | G107 T112 T114 K135 V136 N271 | G107-N109 PolarHBondContact O-N 2.86Å; G107-N109 PolarHBondContact O-ND2 3.37Å; N109-T112 VanDerWaalsContact CA-OG1 3.32Å; N109-T112 WeakPolarHBondContact CA-OG1 3.5Å; N109-T114 PolarHBondContact O-N 2.99Å; N109-T114 PolarHBondContact OD1-OG1 2.8Å; N109-T114 VanDerWaalsContact OD1-OG1 3.12Å; N109-K135 WeakPolarHBondContact OD1-CA 3.47Å; N109-K135 WeakPolarHBondContact OD1-CB 3.32Å; N109-V136 PolarHBondContact OD1-N 3.17Å; N109-N271 HydrophobicContact CB-CB 4.04Å; N109-N271 WeakPolarHBondContact CB-OD1 3.47Å |
| 110 | F | 93.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -47.5 | 171.7 | 178.5 | -97.2 | 0 | 0 | 0 | 111 | D108 V113 P197 Y198 L267 R268 | D108-F110 PolarHBondContact O-N 3.16Å; D108-F110 VanDerWaalsContact OD1-CB 3.32Å; D108-F110 WeakPolarHBondContact OD1-CB 3.49Å; D108-F110 PolarHBondContact OD1-N 3.17Å; F110-V113 PolarHBondContact O-N 3.43Å; F110-P197 HydrophobicContact CD1-CB 4.21Å; F110-P197 HydrophobicContact CD1-CG 4.36Å; F110-P197 HydrophobicContact CE1-CB 3.61Å; F110-P197 HydrophobicContact CE1-CG 3.82Å; F110-P197 HydrophobicContact CE2-CG 4.14Å; F110-P197 HydrophobicContact CZ-CB 3.93Å; F110-P197 HydrophobicContact CZ-CG 3.68Å; F110-Y198 HydrophobicContact CD1-CE2 4.23Å; F110-Y198 HydrophobicContact CE1-CE2 4.14Å; F110-L267 HydrophobicContact CD2-CB 3.77Å; F110-L267 HydrophobicContact CD2-CD1 4.3Å; F110-L267 HydrophobicContact CE2-CB 3.97Å; F110-L267 HydrophobicContact CE2-CD1 4.21Å; F110-R268 HydrophobicContact CD2-CG 4.07Å; F110-R268 HydrophobicContact CE2-CG 3.99Å |
| 111 | E | 94.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -34.3 | -179.3 | -174.8 | 164.3 | 161.6 | 0 | 0 | 112.5 | A103 D108 V113 R168 Y198 | A103-E111 HydrophobicContact CB-CB 3.97Å; A103-E111 VanDerWaalsContact CB-CD 3.43Å; A103-E111 HydrophobicContact CB-CG 3.66Å; D108-E111 HydrophobicContact CB-CB 4.26Å; D108-E111 PolarHBondContact O-N 2.72Å; E111-V113 PolarHBondContact O-N 3.33Å; E111-V113 VanDerWaalsContact O-N 3.15Å; E111-R168 WeakPolarHBondContact OE1-CD 3.38Å; E111-R168 IonicContact OE1-CZ 2.66Å; E111-R168 IonicContact OE1-NE 3.68Å; E111-R168 PolarHBondContact OE1-NE 3.06Å; E111-R168 IonicContact OE1-NH1 2.88Å; E111-R168 PolarHBondContact OE1-NH1 3.42Å; E111-R168 IonicContact OE1-NH2 3.13Å; E111-R168 PolarHBondContact OE1-NH2 2.9Å; E111-R168 IonicContact OE2-CZ 2.89Å; E111-R168 IonicContact OE2-NH1 3.75Å; E111-R168 PolarHBondContact OE2-NH1 2.74Å; E111-R168 VanDerWaalsContact OE2-NH1 3.13Å; E111-R168 IonicContact OE2-NH2 3.43Å; E111-R168 PolarHBondContact OE2-NH2 3.13Å; E111-Y198 HydrophobicContact CB-CD2 4.31Å; E111-Y198 HydrophobicContact CB-CE2 3.87Å; E111-Y198 HydrophobicContact CG-CD2 3.71Å; E111-Y198 HydrophobicContact CG-CE2 3.71Å; E111-Y198 WeakPolarHBondContact OE2-CE2 3.24Å |
| 112 | T | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 6.1 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | A80 H81 F82 L104 D108 N109 T114 V136 | A80-T112 HydrophobicContact CB-CG2 4.15Å; A80-T112 WeakPolarHBondContact O-CA 3.39Å; A80-T112 WeakPolarHBondContact O-CB 3.42Å; A80-T112 WeakPolarHBondContact O-CG2 3.31Å; H81-T112 CarbonylContact C-O 3.21Å; H81-T112 WeakPolarHBondContact CA-O 3.45Å; F82-T112 WeakPolarHBondContact CB-O 3.46Å; F82-T112 PolarHBondContact N-O 2.75Å; L104-T112 HydrophobicContact CD2-CG2 4.17Å; D108-T112 WeakPolarHBondContact O-CG2 3.31Å; D108-T112 PolarHBondContact O-N 2.89Å; D108-T112 PolarHBondContact O-OG1 3.1Å; N109-T112 VanDerWaalsContact CA-OG1 3.32Å; N109-T112 WeakPolarHBondContact CA-OG1 3.5Å; T112-T114 PolarHBondContact O-N 3.33Å; T112-T114 VanDerWaalsContact O-N 3.15Å; T112-T114 PolarHBondContact OG1-OG1 2.91Å; T112-V136 HydrophobicContact CG2-CB 4.19Å; T112-V136 HydrophobicContact CG2-CG1 4.19Å; T112-V136 HydrophobicContact CG2-CG2 4.22Å; T112-V136 WeakPolarHBondContact OG1-CG2 3.34Å |
| 113 | V | 94.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 45.1 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | H81 F82 F110 E111 W115 L196 P197 L267 | H81-V113 VanDerWaalsContact CD2-CG2 3.42Å; H81-V113 WeakPolarHBondContact CD2-CG2 3.49Å; H81-V113 WeakPolarHBondContact NE2-CG2 3.27Å; F82-V113 WeakPolarHBondContact CD1-O 3.42Å; F82-V113 VanDerWaalsContact CE1-O 3.26Å; F82-V113 WeakPolarHBondContact CE1-O 3.38Å; F110-V113 PolarHBondContact O-N 3.43Å; E111-V113 PolarHBondContact O-N 3.33Å; E111-V113 VanDerWaalsContact O-N 3.15Å; V113-W115 HydrophobicContact CG1-CD2 4.21Å; V113-W115 HydrophobicContact CG1-CE3 3.58Å; V113-W115 HydrophobicContact CG1-CZ3 3.86Å; V113-W115 PolarHBondContact O-N 3.21Å; V113-L196 HydrophobicContact CG1-CD1 4.26Å; V113-L196 HydrophobicContact CG1-CD2 3.64Å; V113-L196 HydrophobicContact CG1-CG 4.5Å; V113-L196 HydrophobicContact CG2-CB 4.41Å; V113-L196 HydrophobicContact CG2-CD1 4.41Å; V113-L196 HydrophobicContact CG2-CD2 4.37Å; V113-P197 HydrophobicContact CG2-CG 4.32Å; V113-L267 HydrophobicContact CG1-CD1 4.39Å; V113-L267 HydrophobicContact CG1-CD2 4.27Å |
| 114 | T | 91.1 | Very high | 94 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -70.9 | 102.2 | -171.6 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | F82 N109 T112 Y134 N271 | F82-T114 HydrophobicContact CB-CG2 4.43Å; N109-T114 PolarHBondContact O-N 2.99Å; N109-T114 PolarHBondContact OD1-OG1 2.8Å; N109-T114 VanDerWaalsContact OD1-OG1 3.12Å; T112-T114 PolarHBondContact O-N 3.33Å; T112-T114 VanDerWaalsContact O-N 3.15Å; T112-T114 PolarHBondContact OG1-OG1 2.91Å; T114-Y134 HydrophobicContact CG2-CD1 3.55Å; T114-Y134 HydrophobicContact CG2-CE1 3.77Å; T114-N271 PolarHBondContact O-ND2 3.46Å | ||
| 115 | W | 89.5 | Confident | 93.7 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 25% | 0.254 | 24% | 0.235 | S | C | . | . | trans | -135.5 | 103.4 | 179.1 | -79.8 | -28.2 | 0 | 0 | 0 | 110 | F82 V113 W195 L196 S263 A266 L267 | F82-W115 WeakPolarHBondContact CE2-O 3.28Å; F82-W115 WeakPolarHBondContact CZ-O 3.13Å; V113-W115 HydrophobicContact CG1-CD2 4.21Å; V113-W115 HydrophobicContact CG1-CE3 3.58Å; V113-W115 HydrophobicContact CG1-CZ3 3.86Å; V113-W115 PolarHBondContact O-N 3.21Å; W115-W195 HydrophobicContact CH2-CZ3 4.19Å; W115-W195 HydrophobicContact CZ3-CH2 4.4Å; W115-W195 HydrophobicContact CZ3-CZ3 4.2Å; W115-L196 HydrophobicContact CH2-CD2 4.36Å; W115-L196 HydrophobicContact CZ3-CD2 3.81Å; W115-S263 WeakPolarHBondContact CZ2-O 3.49Å; W115-A266 HydrophobicContact CZ2-CB 4.02Å; W115-L267 HydrophobicContact CD2-CD2 3.71Å; W115-L267 HydrophobicContact CD2-CG 4.17Å; W115-L267 HydrophobicContact CE3-CD2 4.45Å; W115-L267 HydrophobicContact CG-CD2 3.96Å; W115-L267 HydrophobicContact CH2-CD1 4.32Å; W115-L267 HydrophobicContact CH2-CG 4.11Å; W115-L267 HydrophobicContact CZ2-CB 4.35Å; W115-L267 HydrophobicContact CZ2-CD1 4.06Å; W115-L267 HydrophobicContact CZ2-CD2 3.9Å; W115-L267 HydrophobicContact CZ2-CG 3.38Å | ||
| 116 | L | 93.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | trans | -132.7 | 137.4 | 177.5 | -170.6 | 64.5 | 0 | 0 | 0 | 109.5 | Y24 L48 F82 E120 I121 W129 A131 Y134 | Y24-L116 HydrophobicContact CD2-CD1 4.33Å; Y24-L116 HydrophobicContact CE2-CD1 3.65Å; L48-L116 HydrophobicContact CD1-CD1 4.06Å; L48-L116 HydrophobicContact CD1-CD2 4.31Å; L48-L116 HydrophobicContact CD2-CD1 4.35Å; F82-L116 HydrophobicContact CE2-CD1 4.48Å; L116-E120 HydrophobicContact CD1-CB 4.47Å; L116-I121 HydrophobicContact CD1-CD1 4.2Å; L116-I121 HydrophobicContact CD1-CG1 4.39Å; L116-I121 HydrophobicContact CD2-CG1 4.47Å; L116-W129 HydrophobicContact CD2-CH2 3.61Å; L116-W129 HydrophobicContact CD2-CZ2 3.68Å; L116-W129 HydrophobicContact CG-CH2 4.32Å; L116-A131 HydrophobicContact CB-CB 4.17Å; L116-A131 HydrophobicContact CD2-CB 4.26Å; L116-A131 HydrophobicContact CG-CB 3.9Å; L116-A131 VanDerWaalsContact O-CB 3.28Å; L116-A131 WeakPolarHBondContact O-CB 3Å; L116-Y134 HydrophobicContact CB-CD1 4.16Å; L116-Y134 HydrophobicContact CD2-CD1 3.9Å; L116-Y134 HydrophobicContact CD2-CD2 4.27Å; L116-Y134 HydrophobicContact CD2-CG 3.73Å | ||
| 117 | S | 93.7 | Very high | 93.3 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | trans | -111.5 | 144.9 | 175.6 | -179 | 0 | 0 | 0 | 0 | 111.1 | R119 E120 | S117-R119 PolarHBondContact O-N 2.89Å; S117-R119 VanDerWaalsContact O-N 3.1Å; S117-R119 PolarHBondContact OG-N 2.82Å; S117-E120 VanDerWaalsContact CB-OE2 3.24Å; S117-E120 WeakPolarHBondContact CB-OE2 3.32Å; S117-E120 PolarHBondContact N-OE2 3.31Å; S117-E120 PolarHBondContact O-N 2.87Å | ||
| 118 | D | 93.6 | Very high | 93.3 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.5 | 172 | -75.2 | -42.3 | 0 | 0 | 0 | 111.6 | E120 I121 R130 A131 | D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.07Å; D118-I121 PolarHBondContact O-N 2.79Å; D118-R130 VanDerWaalsContact OD1-CA 3.28Å; D118-R130 WeakPolarHBondContact OD1-CA 3.31Å; D118-R130 WeakPolarHBondContact OD2-CD 3.19Å; D118-R130 IonicContact OD2-NH1 3.7Å; D118-A131 VanDerWaalsContact N-CB 3.29Å; D118-A131 PolarHBondContact OD1-N 2.77Å |
| 119 | R | 94.9 | Very high | 93.4 | Very high | 235 Ų | 235 | 49 Ų | 49 | 89% | 0.887 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -72.1 | -23.3 | 178.7 | -63.5 | -176 | -179.8 | 179.5 | -0 | 113.5 | S117 I121 | S117-R119 PolarHBondContact O-N 2.89Å; S117-R119 VanDerWaalsContact O-N 3.1Å; S117-R119 PolarHBondContact OG-N 2.82Å; R119-I121 VanDerWaalsContact C-N 3.32Å |
| 120 | E | 95.7 | Very high | 93.5 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -85 | -12.2 | 180 | -64 | 170.3 | 102.8 | 0 | 0 | 111.7 | Y24 Q25 S26 L116 S117 D118 | Y24-E120 CarbonylContact C-O 3.59Å; Y24-E120 HydrophobicContact CD2-CB 4.09Å; Y24-E120 HydrophobicContact CE2-CB 3.84Å; Q25-E120 PolarHBondContact N-O 2.92Å; S26-E120 WeakPolarHBondContact CB-OE1 3.34Å; S26-E120 PolarHBondContact OG-OE1 2.86Å; L116-E120 HydrophobicContact CD1-CB 4.47Å; S117-E120 VanDerWaalsContact CB-OE2 3.24Å; S117-E120 WeakPolarHBondContact CB-OE2 3.32Å; S117-E120 PolarHBondContact N-OE2 3.31Å; S117-E120 PolarHBondContact O-N 2.87Å; D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.07Å |
| 121 | I | 96.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 98 | 177.8 | -58.7 | -53.5 | 0 | 0 | 0 | 109.2 | W6 F23 Y24 L48 L50 L116 D118 R119 V123 W129 | W6-I121 HydrophobicContact CH2-CD1 4.31Å; W6-I121 HydrophobicContact CH2-CG2 4.14Å; F23-I121 CarbonylContact O-C 3.59Å; F23-I121 WeakPolarHBondContact O-CA 3.32Å; Y24-I121 HydrophobicContact CD2-CD1 3.79Å; Y24-I121 HydrophobicContact CG-CD1 4.31Å; L48-I121 HydrophobicContact CD1-CD1 3.81Å; L50-I121 HydrophobicContact CD1-CD1 4.09Å; L116-I121 HydrophobicContact CD1-CD1 4.2Å; L116-I121 HydrophobicContact CD1-CG1 4.39Å; L116-I121 HydrophobicContact CD2-CG1 4.47Å; D118-I121 PolarHBondContact O-N 2.79Å; R119-I121 VanDerWaalsContact C-N 3.32Å; I121-V123 WeakPolarHBondContact CG2-O 3.31Å; I121-V123 PolarHBondContact O-N 3.31Å; I121-W129 HydrophobicContact CB-CH2 4.22Å; I121-W129 HydrophobicContact CB-CZ3 3.91Å; I121-W129 HydrophobicContact CG1-CH2 3.49Å; I121-W129 VanDerWaalsContact CG1-CH2 3.49Å; I121-W129 HydrophobicContact CG1-CZ2 4.46Å; I121-W129 HydrophobicContact CG1-CZ3 3.72Å; I121-W129 HydrophobicContact CG2-CZ3 4.1Å |
| 122 | A | 95.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -62 | -32 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F23 Q25 | F23-A122 PolarHBondContact O-N 3.42Å; Q25-A122 HydrophobicContact CG-CB 4.16Å |
| 123 | V | 93.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -137.3 | 122.6 | 175 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | M1 F23 I121 | M1-V123 HydrophobicContact CE-CB 3.6Å; M1-V123 HydrophobicContact CE-CG1 3.18Å; M1-V123 HydrophobicContact CE-CG2 4.46Å; F23-V123 HydrophobicContact CB-CB 4.45Å; F23-V123 HydrophobicContact CD1-CB 3.8Å; F23-V123 HydrophobicContact CD1-CG2 3.46Å; F23-V123 VanDerWaalsContact CD1-CG2 3.46Å; F23-V123 HydrophobicContact CE1-CB 4.17Å; F23-V123 HydrophobicContact CE1-CG2 3.59Å; F23-V123 HydrophobicContact CG-CB 4.04Å; F23-V123 HydrophobicContact CG-CG2 4.22Å; F23-V123 HydrophobicContact CZ-CG2 4.43Å; I121-V123 WeakPolarHBondContact CG2-O 3.31Å; I121-V123 PolarHBondContact O-N 3.31Å |
| 124 | A | 92.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | trans | -59.7 | 135.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S126 | A124-S126 VanDerWaalsContact C-N 3.34Å; A124-S126 PolarHBondContact O-N 3.04Å | ||
| 125 | P | 91.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.032 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -66.2 | -37.6 | -178.8 | 26.8 | -35.4 | 0 | 0 | 0 | 111.1 | W6 L50 R51 W129 | W6-P125 HydrophobicContact CZ3-CB 4.03Å; L50-P125 HydrophobicContact CB-CB 4.32Å; L50-P125 HydrophobicContact CB-CG 4.44Å; L50-P125 HydrophobicContact CD1-CG 4.32Å; R51-P125 PolarHBondContact NH2-O 3.13Å; P125-W129 HydrophobicContact CG-CB 4Å; P125-W129 VanDerWaalsContact CG-CD1 3.47Å; P125-W129 HydrophobicContact CG-CD2 3.65Å; P125-W129 HydrophobicContact CG-CE3 4.39Å; P125-W129 HydrophobicContact CG-CG 3.43Å; P125-W129 VanDerWaalsContact CG-CG 3.43Å |
| 126 | S | 90.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -139.4 | 158 | 177.1 | 59 | 0 | 0 | 0 | 0 | 111.6 | A124 G128 W129 | A124-S126 VanDerWaalsContact C-N 3.34Å; A124-S126 PolarHBondContact O-N 3.04Å; S126-G128 PolarHBondContact O-N 3.23Å; S126-W129 VanDerWaalsContact O-CB 3.25Å; S126-W129 WeakPolarHBondContact O-CB 3.33Å; S126-W129 PolarHBondContact O-N 3.16Å; S126-W129 VanDerWaalsContact O-N 3.09Å |
| 127 | P | 92.1 | Very high | 94.1 | Very high | 136 Ų | 136 | 73.4 Ų | 73.4 | 88% | 0.883 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 132.5 | 171.7 | -26.3 | 35.4 | 0 | 0 | 0 | 111.3 | W129 | P127-W129 PolarHBondContact O-N 2.95Š|
| 128 | G | 92.4 | Very high | 94.3 | Very high | 71 Ų | 71 | 74 Ų | 74 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 3.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S126 | S126-G128 PolarHBondContact O-N 3.23Š|
| 129 | W | 95 | Very high | 94.5 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | trans | -60.8 | 141 | 175 | -175.6 | 92.2 | 0 | 0 | 0 | 111.2 | L50 L116 I121 P125 S126 P127 A131 | L50-W129 HydrophobicContact CD1-CH2 4.43Å; L50-W129 HydrophobicContact CD1-CZ2 3.85Å; L50-W129 HydrophobicContact CD2-CZ2 3.95Å; L116-W129 HydrophobicContact CD2-CH2 3.61Å; L116-W129 HydrophobicContact CD2-CZ2 3.68Å; L116-W129 HydrophobicContact CG-CH2 4.32Å; I121-W129 HydrophobicContact CB-CH2 4.22Å; I121-W129 HydrophobicContact CB-CZ3 3.91Å; I121-W129 HydrophobicContact CG1-CH2 3.49Å; I121-W129 VanDerWaalsContact CG1-CH2 3.49Å; I121-W129 HydrophobicContact CG1-CZ2 4.46Å; I121-W129 HydrophobicContact CG1-CZ3 3.72Å; I121-W129 HydrophobicContact CG2-CZ3 4.1Å; P125-W129 HydrophobicContact CG-CB 4Å; P125-W129 VanDerWaalsContact CG-CD1 3.47Å; P125-W129 HydrophobicContact CG-CD2 3.65Å; P125-W129 HydrophobicContact CG-CE3 4.39Å; P125-W129 HydrophobicContact CG-CG 3.43Å; P125-W129 VanDerWaalsContact CG-CG 3.43Å; S126-W129 VanDerWaalsContact O-CB 3.25Å; S126-W129 WeakPolarHBondContact O-CB 3.33Å; S126-W129 PolarHBondContact O-N 3.16Å; S126-W129 VanDerWaalsContact O-N 3.09Å; P127-W129 PolarHBondContact O-N 2.95Å; W129-A131 HydrophobicContact CH2-CB 3.6Å; W129-A131 HydrophobicContact CZ2-CB 4.44Å; W129-A131 HydrophobicContact CZ3-CB 3.97Å | ||
| 130 | R | 95.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 67.2 Ų | 67.2 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | trans | -141.1 | 136.8 | 175.4 | -64 | -66.7 | -173.6 | -169.4 | -0.1 | 109.9 | D118 R132 H133 | D118-R130 VanDerWaalsContact OD1-CA 3.28Å; D118-R130 WeakPolarHBondContact OD1-CA 3.31Å; D118-R130 WeakPolarHBondContact OD2-CD 3.19Å; D118-R130 IonicContact OD2-NH1 3.7Å; R130-R132 HydrophobicContact CB-CG 3.95Å; R130-R132 PolarHBondContact O-N 3.08Å; R130-H133 PolarHBondContact O-N 3.29Å | ||
| 131 | A | 94.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 66.5 Ų | 66.5 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -59.4 | -33.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L116 D118 W129 H133 Y134 | L116-A131 HydrophobicContact CB-CB 4.17Å; L116-A131 HydrophobicContact CD2-CB 4.26Å; L116-A131 HydrophobicContact CG-CB 3.9Å; L116-A131 VanDerWaalsContact O-CB 3.28Å; L116-A131 WeakPolarHBondContact O-CB 3Å; D118-A131 VanDerWaalsContact N-CB 3.29Å; D118-A131 PolarHBondContact OD1-N 2.77Å; W129-A131 HydrophobicContact CH2-CB 3.6Å; W129-A131 HydrophobicContact CZ2-CB 4.44Å; W129-A131 HydrophobicContact CZ3-CB 3.97Å; A131-H133 PolarHBondContact O-N 2.97Å; A131-Y134 WeakPolarHBondContact O-CB 3.44Å; A131-Y134 PolarHBondContact O-N 2.94Å |
| 132 | R | 92.3 | Very high | 94.7 | Very high | 176 Ų | 176 | 69.6 Ų | 69.6 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -60.2 | -15.2 | 174.6 | 65.8 | 165.3 | -172.1 | -103.9 | 5 | 115 | R130 | R130-R132 HydrophobicContact CB-CG 3.95Å; R130-R132 PolarHBondContact O-N 3.08Å |
| 133 | H | 92.8 | Very high | 94.8 | Very high | 118 Ų | 118 | 70.3 Ų | 70.3 | 55% | 0.546 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -100 | -6.1 | 176.2 | -54 | 148.4 | 0 | 0 | 0 | 112.3 | R130 A131 | R130-H133 PolarHBondContact O-N 3.29Å; A131-H133 PolarHBondContact O-N 2.97Å |
| 134 | Y | 95.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 72 Ų | 72 | 8% | 0.078 | 39% | 0.385 | C | S | . | . | trans | -67.1 | 135.4 | 176 | 177.1 | -102.5 | 0 | 0 | 0 | 109.9 | L48 L50 F82 T114 L116 A131 | L48-Y134 HydrophobicContact CB-CE2 4.42Å; L48-Y134 WeakPolarHBondContact O-CE2 3.27Å; L48-Y134 PolarHBondContact O-OH 2.78Å; L50-Y134 HydrophobicContact CD2-CD2 3.68Å; L50-Y134 HydrophobicContact CD2-CE2 3.94Å; F82-Y134 HydrophobicContact CB-CE1 4.07Å; F82-Y134 AromaticContact CD2-CE1 3.71Å; F82-Y134 HydrophobicContact CD2-CE1 3.71Å; F82-Y134 HydrophobicContact CG-CE1 4.29Å; F82-Y134 PolarHBondContact O-OH 2.84Å; F82-Y134 VanDerWaalsContact O-OH 3.11Å; T114-Y134 HydrophobicContact CG2-CD1 3.55Å; T114-Y134 HydrophobicContact CG2-CE1 3.77Å; L116-Y134 HydrophobicContact CB-CD1 4.16Å; L116-Y134 HydrophobicContact CD2-CD1 3.9Å; L116-Y134 HydrophobicContact CD2-CD2 4.27Å; L116-Y134 HydrophobicContact CD2-CG 3.73Å; A131-Y134 WeakPolarHBondContact O-CB 3.44Å; A131-Y134 PolarHBondContact O-N 2.94Å | ||
| 135 | K | 95.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | trans | -144.3 | 145.3 | 173.9 | -67.1 | -170.1 | 176.3 | -168.1 | 0 | 108.7 | N109 K137 | N109-K135 WeakPolarHBondContact OD1-CA 3.47Å; N109-K135 WeakPolarHBondContact OD1-CB 3.32Å; K135-K137 PolarHBondContact O-N 2.7Å | ||
| 136 | V | 96.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.03 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 125.2 | 165 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | F82 L104 N109 T112 | F82-V136 HydrophobicContact CB-CG2 3.49Å; F82-V136 VanDerWaalsContact CB-CG2 3.49Å; L104-V136 HydrophobicContact CD2-CG1 4.34Å; N109-V136 PolarHBondContact OD1-N 3.17Å; T112-V136 HydrophobicContact CG2-CB 4.19Å; T112-V136 HydrophobicContact CG2-CG1 4.19Å; T112-V136 HydrophobicContact CG2-CG2 4.22Å; T112-V136 WeakPolarHBondContact OG1-CG2 3.34Å |
| 137 | K | 97.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 75.8 Ų | 75.8 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 139 | 177.6 | -67.8 | -177.3 | -168 | 162.9 | 0 | 109.4 | H89 K135 V139 | H89-K137 HydrophobicContact CB-CB 3.98Å; H89-K137 PolarHBondContact NE2-NZ 3.45Å; K135-K137 PolarHBondContact O-N 2.7Å; K137-V139 PolarHBondContact O-N 3.05Å |
| 138 | A | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 71.3 Ų | 71.3 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 138.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L104 A105 | L104-A138 CarbonylContact O-C 3.53Å; L104-A138 VanDerWaalsContact O-CA 3.28Å; L104-A138 WeakPolarHBondContact O-CA 3.36Å; A105-A138 WeakPolarHBondContact O-CB 3.36Å |
| 139 | V | 97.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | trans | -141.8 | 135.7 | 176.1 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | L88 V94 L104 A105 K137 P141 | L88-V139 HydrophobicContact CB-CG1 3.93Å; L88-V139 HydrophobicContact CB-CG2 4.49Å; L88-V139 HydrophobicContact CD1-CG1 4.19Å; V94-V139 HydrophobicContact CB-CG2 4.4Å; V94-V139 HydrophobicContact CG1-CG2 4.41Å; V94-V139 HydrophobicContact CG2-CG2 3.96Å; L104-V139 CarbonylContact C-O 3.59Å; L104-V139 HydrophobicContact CB-CG1 4.11Å; L104-V139 PolarHBondContact O-N 2.88Å; A105-V139 VanDerWaalsContact CA-O 3.3Å; A105-V139 WeakPolarHBondContact CA-O 3.29Å; A105-V139 PolarHBondContact N-O 2.93Å; K137-V139 PolarHBondContact O-N 3.05Å; V139-P141 VanDerWaalsContact O-CD 3.31Å; V139-P141 WeakPolarHBondContact O-CD 3.26Å | ||
| 140 | Q | 97.3 | Very high | 96.9 | Very high | 137 Ų | 137 | 72.7 Ų | 72.7 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | trans | -88.7 | 112.6 | 174.4 | -66.1 | -60.4 | -43.7 | 0 | 0 | 108.4 | A105 T142 | A105-Q140 PolarHBondContact O-NE2 3.16Å; Q140-T142 PolarHBondContact O-N 3.03Å | ||
| 141 | P | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.143 | 34% | 0.344 | C | S | . | . | trans | -64.1 | 134.3 | 178.6 | -19.9 | 33.8 | 0 | 0 | 0 | 110.7 | V94 V96 V101 V139 | V94-P141 HydrophobicContact CG1-CB 4.42Å; V96-P141 HydrophobicContact CB-CG 4.45Å; V96-P141 HydrophobicContact CG1-CB 4.3Å; V96-P141 HydrophobicContact CG1-CG 4.2Å; V96-P141 HydrophobicContact CG2-CB 3.57Å; V96-P141 HydrophobicContact CG2-CG 3.38Å; V101-P141 HydrophobicContact CG1-CG 4.29Å; V101-P141 HydrophobicContact CG2-CG 4.36Å; V139-P141 VanDerWaalsContact O-CD 3.31Å; V139-P141 WeakPolarHBondContact O-CD 3.26Å | ||
| 142 | T | 97.4 | Very high | 97 | Very high | 77 Ų | 77 | 71 Ų | 71 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -88.8 | -22.9 | 176.6 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | Q92 Q93 V94 Q140 | Q92-T142 WeakPolarHBondContact O-CG2 3.34Å; Q93-T142 WeakPolarHBondContact CA-OG1 3.49Å; V94-T142 PolarHBondContact N-OG1 3.3Å; V94-T142 PolarHBondContact O-N 2.78Å; V94-T142 PolarHBondContact O-OG1 3Å; Q140-T142 PolarHBondContact O-N 3.03Å |
| 143 | H | 97.7 | Very high | 97.1 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115 | 180 | -59.7 | 73.8 | 0 | 0 | 0 | 107.8 | V94 G95 V96 L145 | V94-H143 PolarHBondContact O-N 2.77Å; G95-H143 VanDerWaalsContact CA-O 3.3Å; G95-H143 WeakPolarHBondContact CA-O 3.4Å; V96-H143 PolarHBondContact N-O 2.84Å; V96-H143 VanDerWaalsContact N-O 3.11Å; H143-L145 HydrophobicContact CB-CD2 4.42Å |
| 144 | I | 98.6 | Very high | 97.1 | Very high | 100 Ų | 100 | 58.8 Ų | 58.8 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.7 | 176 | -58.3 | 178.6 | 0 | 0 | 0 | 106.9 | V101 | V101-I144 HydrophobicContact CG2-CG1 4.28Å; V101-I144 HydrophobicContact CG2-CG2 4.21Å |
| 145 | L | 98.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 147.2 | -174.5 | -54.5 | 176.8 | 0 | 0 | 0 | 111.2 | I76 V96 H97 S98 H143 D149 V160 I171 | I76-L145 HydrophobicContact CD1-CD1 4.39Å; I76-L145 HydrophobicContact CG2-CD1 3.71Å; V96-L145 PolarHBondContact O-N 3.18Å; H97-L145 WeakPolarHBondContact CA-O 3.42Å; H97-L145 PolarHBondContact CD2-O 2.9Å; S98-L145 PolarHBondContact N-O 3.45Å; H143-L145 HydrophobicContact CB-CD2 4.42Å; L145-D149 WeakPolarHBondContact CA-OD2 3.32Å; L145-V160 HydrophobicContact CB-CG1 4.42Å; L145-V160 HydrophobicContact CB-CG2 4.35Å; L145-V160 HydrophobicContact CD1-CG2 4.25Å; L145-V160 HydrophobicContact CD2-CG2 4.45Å; L145-I171 HydrophobicContact CD1-CD1 4.02Å |
| 146 | Q | 98.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 59 Ų | 59 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | trans | -132.2 | 167.3 | 174.6 | -58.6 | -69.4 | 11.1 | 0 | 0 | 110.7 | S98 G148 D149 V160 | S98-Q146 PolarHBondContact OG-NE2 3.24Å; S98-Q146 PolarHBondContact OG-OE1 3.08Å; Q146-G148 PolarHBondContact O-N 3.2Å; Q146-D149 PolarHBondContact N-OD2 2.84Å; Q146-D149 WeakPolarHBondContact O-CB 3.44Å; Q146-D149 PolarHBondContact O-N 2.8Å; Q146-V160 WeakPolarHBondContact O-CB 3.21Å; Q146-V160 VanDerWaalsContact O-CG1 3.28Å; Q146-V160 WeakPolarHBondContact O-CG1 3.17Å | ||
| 147 | E | 98.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 130.8 | 169.3 | 172.7 | 70.3 | -154.8 | 0 | 0 | 111.3 | D149 H162 R210 | E147-D149 VanDerWaalsContact C-N 3.28Å; E147-D149 PolarHBondContact O-N 3Å; E147-H162 HydrophobicContact CB-CB 4.04Å; E147-H162 PolarHBondContact OE2-N 3.4Å; E147-R210 IonicContact OE1-NH2 2.68Å; E147-R210 PolarHBondContact OE1-NH2 3.48Å; E147-R210 IonicContact OE2-CZ 3.23Å; E147-R210 IonicContact OE2-NH1 3.26Å; E147-R210 IonicContact OE2-NH2 3.06Å; E147-R210 PolarHBondContact OE2-NH2 2.92Å |
| 148 | G | 98.7 | Very high | 97 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q146 V160 | Q146-G148 PolarHBondContact O-N 3.2Å; G148-V160 PolarHBondContact N-O 2.95Å |
| 149 | D | 98.8 | Very high | 97.1 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -59.2 | 144.3 | 173.7 | -77 | -17.6 | 0 | 0 | 0 | 110.8 | L145 Q146 E147 T159 V160 | L145-D149 WeakPolarHBondContact CA-OD2 3.32Å; Q146-D149 PolarHBondContact N-OD2 2.84Å; Q146-D149 WeakPolarHBondContact O-CB 3.44Å; Q146-D149 PolarHBondContact O-N 2.8Å; E147-D149 VanDerWaalsContact C-N 3.28Å; E147-D149 PolarHBondContact O-N 3Å; D149-T159 CarbonylContact O-C 3.35Å; D149-T159 WeakPolarHBondContact O-CA 2.89Å; D149-V160 HydrophobicContact CB-CB 4.28Å; D149-V160 HydrophobicContact CB-CG2 4.04Å; D149-V160 PolarHBondContact O-N 3.02Å | ||
| 150 | V | 98.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.4 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | Q157 L158 | V150-Q157 HydrophobicContact CG1-CB 3.95Å; V150-Q157 HydrophobicContact CG1-CG 4.2Å; V150-L158 WeakPolarHBondContact CA-O 3.19Å |
| 151 | I | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 110.7 | 170.8 | -54.9 | 133.5 | 0 | 0 | 0 | 107.3 | V42 L74 I76 L153 Q157 L158 V160 L173 | V42-I151 HydrophobicContact CG2-CG2 3.82Å; L74-I151 HydrophobicContact CD2-CG2 3.9Å; I76-I151 HydrophobicContact CD1-CD1 3.34Å; I76-I151 HydrophobicContact CD1-CG1 3.85Å; I76-I151 HydrophobicContact CD1-CG2 4.26Å; I151-L153 HydrophobicContact CB-CD1 4.43Å; I151-L153 HydrophobicContact CG2-CD1 3.88Å; I151-L153 WeakPolarHBondContact O-CD1 3.35Å; I151-Q157 WeakPolarHBondContact O-CA 3.5Å; I151-L158 HydrophobicContact CB-CB 4.3Å; I151-L158 HydrophobicContact CD1-CB 4.17Å; I151-L158 PolarHBondContact N-O 3.21Å; I151-L158 PolarHBondContact O-N 3.15Å; I151-V160 HydrophobicContact CD1-CG2 3.76Å; I151-V160 HydrophobicContact CG1-CG2 4.46Å; I151-L173 HydrophobicContact CD1-CD2 3.5Å |
| 152 | N | 95.4 | Very high | 97.3 | Very high | 80 Ų | 80 | 50.8 Ų | 50.8 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.2 | -176.4 | -173.7 | 1.1 | 0 | 0 | 0 | 111 | G154 | N152-G154 VanDerWaalsContact C-N 3.32Å; N152-G154 VanDerWaalsContact OD1-CA 3.31Å; N152-G154 WeakPolarHBondContact OD1-CA 3.49Å; N152-G154 PolarHBondContact OD1-N 3.38Å |
| 153 | L | 94.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -89.5 | -2.2 | 176 | -72.9 | 76.6 | 0 | 0 | 0 | 111.7 | L35 G37 T38 H39 Q40 V42 I151 R156 L158 | L35-L153 HydrophobicContact CB-CD2 3.84Å; G37-L153 CarbonylContact C-O 3.48Å; G37-L153 VanDerWaalsContact CA-O 3.24Å; G37-L153 WeakPolarHBondContact CA-O 3.27Å; T38-L153 PolarHBondContact N-O 3.48Å; T38-L153 VanDerWaalsContact N-O 3.13Å; H39-L153 WeakPolarHBondContact CB-O 3.49Å; H39-L153 PolarHBondContact N-O 2.94Å; Q40-L153 PolarHBondContact N-O 2.95Å; Q40-L153 VanDerWaalsContact O-CB 3.32Å; Q40-L153 WeakPolarHBondContact O-CB 3.36Å; Q40-L153 VanDerWaalsContact O-CG 3.3Å; Q40-L153 WeakPolarHBondContact O-CG 3.43Å; V42-L153 HydrophobicContact CB-CD2 4.15Å; V42-L153 HydrophobicContact CG2-CD1 3.77Å; V42-L153 HydrophobicContact CG2-CD2 3.95Å; V42-L153 HydrophobicContact CG2-CG 3.81Å; I151-L153 HydrophobicContact CB-CD1 4.43Å; I151-L153 HydrophobicContact CG2-CD1 3.88Å; I151-L153 WeakPolarHBondContact O-CD1 3.35Å; L153-R156 WeakPolarHBondContact CA-O 3.38Å; L153-R156 HydrophobicContact CB-CB 4.16Å; L153-R156 WeakPolarHBondContact CB-O 3.34Å; L153-R156 PolarHBondContact N-O 3.4Å; L153-L158 HydrophobicContact CD1-CD1 4.11Å; L153-L158 HydrophobicContact CD1-CG 4Å | ||
| 154 | G | 92.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 107.1 | -86.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T38 N152 R156 | T38-G154 WeakPolarHBondContact OG1-CA 3.28Å; N152-G154 VanDerWaalsContact C-N 3.32Å; N152-G154 VanDerWaalsContact OD1-CA 3.31Å; N152-G154 WeakPolarHBondContact OD1-CA 3.49Å; N152-G154 PolarHBondContact OD1-N 3.38Å; G154-R156 PolarHBondContact O-N 2.97Å |
| 155 | D | 91.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -82.4 | 1.2 | 175.9 | 57.7 | -39.4 | 0 | 0 | 0 | 113.1 | T38 | T38-D155 WeakPolarHBondContact CB-OD1 3.37Å; T38-D155 HydrophobicContact CG2-CB 4.13Å; T38-D155 WeakPolarHBondContact CG2-OD1 3.44Å; T38-D155 PolarHBondContact N-OD1 3.12Å; T38-D155 PolarHBondContact OG1-N 2.96Å; T38-D155 PolarHBondContact OG1-OD1 3.32Å |
| 156 | R | 94.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | -145.8 | 147.1 | -178.1 | -171.5 | 173.4 | -171.5 | 169.6 | 4.7 | 109.7 | L153 G154 D175 | L153-R156 WeakPolarHBondContact CA-O 3.38Å; L153-R156 HydrophobicContact CB-CB 4.16Å; L153-R156 WeakPolarHBondContact CB-O 3.34Å; L153-R156 PolarHBondContact N-O 3.4Å; G154-R156 PolarHBondContact O-N 2.97Å; R156-D175 IonicContact CZ-OD2 3.52Å; R156-D175 IonicContact NE-OD2 3.23Å; R156-D175 PolarHBondContact NE-OD2 2.99Å; R156-D175 IonicContact NH2-OD2 3.16Å; R156-D175 PolarHBondContact NH2-OD2 3.45Å | ||
| 157 | Q | 97.3 | Very high | 97.3 | Very high | 93 Ų | 93 | 36 Ų | 36 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.5 | 180 | -65.6 | 179.7 | 99.7 | 0 | 0 | 110 | V150 I151 | V150-Q157 HydrophobicContact CG1-CB 3.95Å; V150-Q157 HydrophobicContact CG1-CG 4.2Å; I151-Q157 WeakPolarHBondContact O-CA 3.5Å |
| 158 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121 | 173 | -54.1 | 176 | 0 | 0 | 0 | 109 | L35 V42 I44 V150 I151 L153 L173 H174 D175 F182 | L35-L158 HydrophobicContact CD2-CD1 4.03Å; L35-L158 HydrophobicContact CD2-CD2 3.85Å; L35-L158 HydrophobicContact CD2-CG 4.43Å; V42-L158 HydrophobicContact CG1-CD1 4.35Å; I44-L158 HydrophobicContact CD1-CD1 4.28Å; V150-L158 WeakPolarHBondContact CA-O 3.19Å; I151-L158 HydrophobicContact CB-CB 4.3Å; I151-L158 HydrophobicContact CD1-CB 4.17Å; I151-L158 PolarHBondContact N-O 3.21Å; I151-L158 PolarHBondContact O-N 3.15Å; L153-L158 HydrophobicContact CD1-CD1 4.11Å; L153-L158 HydrophobicContact CD1-CG 4Å; L158-L173 HydrophobicContact CB-CB 4.34Å; L158-L173 HydrophobicContact CD1-CB 4.44Å; L158-L173 HydrophobicContact CD1-CD1 4.32Å; L158-H174 WeakPolarHBondContact CA-O 3.34Å; L158-D175 HydrophobicContact CD2-CB 3.8Å; L158-F182 HydrophobicContact CD2-CE2 4.24Å |
| 159 | T | 98.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.4 | 172.6 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | D149 L161 H174 | D149-T159 CarbonylContact O-C 3.35Å; D149-T159 WeakPolarHBondContact O-CA 2.89Å; T159-L161 HydrophobicContact CG2-CD2 4.19Å; T159-H174 PolarHBondContact N-O 3.04Å; T159-H174 PolarHBondContact O-N 3.18Å |
| 160 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.4 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | L145 Q146 G148 D149 I151 I171 L173 | L145-V160 HydrophobicContact CB-CG1 4.42Å; L145-V160 HydrophobicContact CB-CG2 4.35Å; L145-V160 HydrophobicContact CD1-CG2 4.25Å; L145-V160 HydrophobicContact CD2-CG2 4.45Å; Q146-V160 WeakPolarHBondContact O-CB 3.21Å; Q146-V160 VanDerWaalsContact O-CG1 3.28Å; Q146-V160 WeakPolarHBondContact O-CG1 3.17Å; G148-V160 PolarHBondContact N-O 2.95Å; D149-V160 HydrophobicContact CB-CB 4.28Å; D149-V160 HydrophobicContact CB-CG2 4.04Å; D149-V160 PolarHBondContact O-N 3.02Å; I151-V160 HydrophobicContact CD1-CG2 3.76Å; I151-V160 HydrophobicContact CG1-CG2 4.46Å; V160-I171 HydrophobicContact CG1-CB 4.15Å; V160-I171 HydrophobicContact CG1-CD1 4.19Å; V160-I171 HydrophobicContact CG1-CG2 3.8Å; V160-L173 HydrophobicContact CB-CD2 4.47Å; V160-L173 HydrophobicContact CG2-CD2 3.81Å |
| 161 | L | 98.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.2 | 171.6 | -52.7 | -179.1 | 0 | 0 | 0 | 108.2 | T159 M163 I171 C172 H174 L181 L214 | T159-L161 HydrophobicContact CG2-CD2 4.19Å; L161-M163 HydrophobicContact CB-CE 3.84Å; L161-M163 HydrophobicContact CB-CG 4.25Å; L161-M163 HydrophobicContact CD1-CE 4Å; L161-M163 PolarHBondContact O-N 3.01Å; L161-I171 CarbonylContact O-C 3.28Å; L161-I171 VanDerWaalsContact O-CA 3.22Å; L161-I171 WeakPolarHBondContact O-CA 3.42Å; L161-C172 HydrophobicContact CB-CB 4.23Å; L161-C172 HydrophobicContact CD1-CB 4.5Å; L161-C172 PolarHBondContact N-O 3.39Å; L161-C172 PolarHBondContact O-N 3.21Å; L161-H174 HydrophobicContact CD1-CB 3.76Å; L161-H174 HydrophobicContact CG-CB 4.1Å; L161-L181 HydrophobicContact CD1-CD1 4.2Å; L161-L214 HydrophobicContact CD1-CD1 3.79Å |
| 162 | H | 98.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 25.9 Ų | 25.9 | 21% | 0.208 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 115.2 | 174.5 | 178.7 | -141 | 0 | 0 | 0 | 109.5 | H97 E147 P164 R168 S170 R210 | H97-H162 AromaticContact CD2-CD2 3.98Å; H97-H162 AromaticContact CE1-CD2 3.43Å; H97-H162 PolarHBondContact CE1-CD2 2.79Å; H97-H162 VanDerWaalsContact CE1-CD2 3.43Å; H97-H162 AromaticContact CE1-CE1 3.75Å; H97-H162 AromaticContact CE1-CG 3.73Å; H97-H162 AromaticContact CE1-ND1 3.93Å; H97-H162 AromaticContact CE1-NE2 3.45Å; H97-H162 PolarHBondContact CE1-NE2 3.47Å; H97-H162 AromaticContact ND1-CD2 3.91Å; H97-H162 AromaticContact ND1-NE2 3.96Å; H97-H162 AromaticContact NE2-CD2 3.46Å; H97-H162 PolarHBondContact NE2-CD2 2.99Å; H97-H162 AromaticContact NE2-CG 3.42Å; H97-H162 AromaticContact NE2-ND1 3.89Å; H97-H162 AromaticContact NE2-NE2 3.93Å; E147-H162 HydrophobicContact CB-CB 4.04Å; E147-H162 PolarHBondContact OE2-N 3.4Å; H162-P164 VanDerWaalsContact C-CD 3.48Å; H162-P164 WeakPolarHBondContact O-CD 3.26Å; H162-R168 PolarHBondContact NE2-O 3.23Å; H162-S170 PolarHBondContact CD2-O 3.48Å; H162-R210 PolarHBondContact O-NH1 3.01Å |
| 163 | M | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -128.7 | 67.1 | -172.4 | -67.4 | -71.6 | -176.4 | 0 | 0 | 109.8 | L161 S170 C172 V186 S207 R210 L214 | L161-M163 HydrophobicContact CB-CE 3.84Å; L161-M163 HydrophobicContact CB-CG 4.25Å; L161-M163 HydrophobicContact CD1-CE 4Å; L161-M163 PolarHBondContact O-N 3.01Å; M163-S170 CarbonylContact C-O 3.59Å; M163-S170 VanDerWaalsContact C-O 3.32Å; M163-S170 WeakPolarHBondContact CA-O 3.23Å; M163-S170 PolarHBondContact N-O 2.96Å; M163-S170 VanDerWaalsContact O-CB 3.24Å; M163-S170 WeakPolarHBondContact O-CB 3.49Å; M163-C172 HydrophobicContact CG-CB 4.46Å; M163-V186 HydrophobicContact CB-CB 4.31Å; M163-V186 HydrophobicContact CB-CG1 3.62Å; M163-V186 HydrophobicContact CB-CG2 3.66Å; M163-V186 HydrophobicContact CG-CG1 4.24Å; M163-S207 VanDerWaalsContact CA-OG 3.31Å; M163-S207 WeakPolarHBondContact CA-OG 3.38Å; M163-R210 HydrophobicContact CE-CB 3.91Å; M163-R210 HydrophobicContact SD-CB 4.16Å; M163-L214 HydrophobicContact CE-CD1 4.49Å | ||
| 164 | P | 98.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | trans | -64.2 | 157.6 | -177.9 | 27.8 | -33.2 | 0 | 0 | 0 | 111.6 | H162 S167 D203 Y204 S207 | H162-P164 VanDerWaalsContact C-CD 3.48Å; H162-P164 WeakPolarHBondContact O-CD 3.26Å; P164-S167 WeakPolarHBondContact CA-O 3.24Å; P164-D203 HydrophobicContact CB-CB 4.06Å; P164-D203 HydrophobicContact CG-CB 4.05Å; P164-D203 CarbonylContact O-C 3.59Å; P164-Y204 PolarHBondContact O-N 2.69Å; P164-S207 PolarHBondContact O-OG 2.8Å | ||
| 165 | G | 97.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 144.1 | -50.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S167 S199 Q200 | G165-S167 PolarHBondContact N-O 3.07Å; G165-S199 CarbonylContact O-C 3.58Å; G165-S199 WeakPolarHBondContact O-CA 3.36Å; G165-S199 VanDerWaalsContact O-CB 3.29Å; G165-S199 WeakPolarHBondContact O-CB 3.42Å; G165-Q200 WeakPolarHBondContact CA-O 3.48Å; G165-Q200 PolarHBondContact O-N 2.7Å |
| 166 | H | 97.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -71.9 | -50.3 | 169.7 | 179.3 | 67.3 | 0 | 0 | 0 | 110.9 | H79 H81 D185 I193 S199 Y204 | H79-H166 AromaticContact CD2-CD2 3.72Å; H79-H166 AromaticContact CD2-NE2 3.91Å; H79-H166 AromaticContact NE2-CD2 3.56Å; H79-H166 AromaticContact NE2-NE2 3.4Å; H79-H166 PolarHBondContact NE2-NE2 3Å; H81-H166 AromaticContact CE1-CD2 3.61Å; H81-H166 AromaticContact CE1-CE1 3.66Å; H81-H166 AromaticContact CE1-NE2 3.03Å; H81-H166 PolarHBondContact CE1-NE2 3Å; H81-H166 AromaticContact ND1-CD2 3.8Å; H81-H166 AromaticContact ND1-CE1 3.85Å; H81-H166 AromaticContact ND1-NE2 2.99Å; H81-H166 PolarHBondContact ND1-NE2 2.81Å; H166-D185 WeakPolarHBondContact CD2-CB 3.34Å; H166-D185 IonicContact CE1-OD2 3.06Å; H166-D185 WeakPolarHBondContact NE2-CB 3.4Å; H166-D185 IonicContact NE2-OD2 3.46Å; H166-I193 PolarHBondContact ND1-O 2.81Å; H166-S199 WeakPolarHBondContact O-CB 3.48Å; H166-S199 PolarHBondContact O-OG 2.98Å; H166-Y204 HydrophobicContact CB-CE1 4.09Å |
| 167 | S | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -128.8 | 176 | 166.4 | 72.9 | 0 | 0 | 0 | 0 | 109.9 | H79 E100 P164 G165 G169 S170 | H79-S167 VanDerWaalsContact CB-OG 3.27Å; H79-S167 WeakPolarHBondContact CB-OG 3.37Å; E100-S167 WeakPolarHBondContact OE1-CB 3.49Å; E100-S167 PolarHBondContact OE1-OG 2.92Å; E100-S167 VanDerWaalsContact OE1-OG 3.13Å; P164-S167 WeakPolarHBondContact CA-O 3.24Å; G165-S167 PolarHBondContact N-O 3.07Å; S167-G169 VanDerWaalsContact C-N 3.33Å; S167-S170 PolarHBondContact N-OG 2.68Å; S167-S170 WeakPolarHBondContact OG-CA 3.42Å; S167-S170 WeakPolarHBondContact OG-CB 3.36Å; S167-S170 PolarHBondContact OG-N 3.28Å; S167-S170 PolarHBondContact OG-OG 2.68Å |
| 168 | R | 96.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 27.5 Ų | 27.5 | 26% | 0.26 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -31 | -178.4 | 57.5 | 175.7 | 64.9 | 152.1 | 16.4 | 112.8 | A99 E100 E111 H162 Y198 | A99-R168 HydrophobicContact CB-CB 4.23Å; A99-R168 HydrophobicContact CB-CG 3.87Å; A99-R168 WeakPolarHBondContact O-CD 3.43Å; E100-R168 WeakPolarHBondContact OE1-CG 3.46Å; E100-R168 PolarHBondContact OE1-N 2.81Å; E111-R168 WeakPolarHBondContact OE1-CD 3.38Å; E111-R168 IonicContact OE1-CZ 2.66Å; E111-R168 IonicContact OE1-NE 3.68Å; E111-R168 PolarHBondContact OE1-NE 3.06Å; E111-R168 IonicContact OE1-NH1 2.88Å; E111-R168 PolarHBondContact OE1-NH1 3.42Å; E111-R168 IonicContact OE1-NH2 3.13Å; E111-R168 PolarHBondContact OE1-NH2 2.9Å; E111-R168 IonicContact OE2-CZ 2.89Å; E111-R168 IonicContact OE2-NH1 3.75Å; E111-R168 PolarHBondContact OE2-NH1 2.74Å; E111-R168 VanDerWaalsContact OE2-NH1 3.13Å; E111-R168 IonicContact OE2-NH2 3.43Å; E111-R168 PolarHBondContact OE2-NH2 3.13Å; H162-R168 PolarHBondContact NE2-O 3.23Å; R168-Y198 VanDerWaalsContact NH2-CD2 3.32Å |
| 169 | G | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128 | 27 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H97 E100 S167 I171 | H97-G169 WeakPolarHBondContact CB-O 3.33Å; H97-G169 WeakPolarHBondContact ND1-CA 3.22Å; E100-G169 WeakPolarHBondContact OE1-CA 3.45Å; E100-G169 PolarHBondContact OE1-N 3.16Å; S167-G169 VanDerWaalsContact C-N 3.33Å; G169-I171 PolarHBondContact O-N 3.16Å |
| 170 | S | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | trans | -50.6 | 129.5 | 166.4 | -78.3 | 0 | 0 | 0 | 0 | 109.9 | T78 H162 M163 S167 | T78-S170 CarbonylContact O-C 3.48Å; T78-S170 WeakPolarHBondContact O-CA 3.38Å; H162-S170 PolarHBondContact CD2-O 3.48Å; M163-S170 CarbonylContact C-O 3.59Å; M163-S170 VanDerWaalsContact C-O 3.32Å; M163-S170 WeakPolarHBondContact CA-O 3.23Å; M163-S170 PolarHBondContact N-O 2.96Å; M163-S170 VanDerWaalsContact O-CB 3.24Å; M163-S170 WeakPolarHBondContact O-CB 3.49Å; S167-S170 PolarHBondContact N-OG 2.68Å; S167-S170 WeakPolarHBondContact OG-CA 3.42Å; S167-S170 WeakPolarHBondContact OG-CB 3.36Å; S167-S170 PolarHBondContact OG-N 3.28Å; S167-S170 PolarHBondContact OG-OG 2.68Å | ||
| 171 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.8 | 174.9 | 60.1 | 170.8 | 0 | 0 | 0 | 110.9 | I76 T78 H97 L145 V160 L161 G169 L173 | I76-I171 HydrophobicContact CG2-CD1 4.02Å; T78-I171 WeakPolarHBondContact O-CG1 3.39Å; T78-I171 PolarHBondContact O-N 3.4Å; H97-I171 HydrophobicContact CB-CG2 3.79Å; L145-I171 HydrophobicContact CD1-CD1 4.02Å; V160-I171 HydrophobicContact CG1-CB 4.15Å; V160-I171 HydrophobicContact CG1-CD1 4.19Å; V160-I171 HydrophobicContact CG1-CG2 3.8Å; L161-I171 CarbonylContact O-C 3.28Å; L161-I171 VanDerWaalsContact O-CA 3.22Å; L161-I171 WeakPolarHBondContact O-CA 3.42Å; G169-I171 PolarHBondContact O-N 3.16Å; I171-L173 HydrophobicContact CD1-CD2 4.02Å; I171-L173 HydrophobicContact CD1-CG 4.43Å |
| 172 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 150.4 | 154.4 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | L161 M163 L181 F182 | L161-C172 HydrophobicContact CB-CB 4.23Å; L161-C172 HydrophobicContact CD1-CB 4.5Å; L161-C172 PolarHBondContact N-O 3.39Å; L161-C172 PolarHBondContact O-N 3.21Å; M163-C172 HydrophobicContact CG-CB 4.46Å; C172-L181 HydrophobicContact CB-CD1 3.67Å; C172-L181 HydrophobicContact CB-CG 4.22Å; C172-F182 CarbonylContact C-O 3.5Å; C172-F182 WeakPolarHBondContact CA-O 3.16Å |
| 173 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.9 | 166.6 | -61.4 | 172.7 | 0 | 0 | 0 | 108.4 | I44 I76 I151 L158 V160 I171 F182 | I44-L173 HydrophobicContact CB-CD1 4.44Å; I44-L173 HydrophobicContact CD1-CB 4.48Å; I44-L173 HydrophobicContact CD1-CD1 3.64Å; I44-L173 HydrophobicContact CG1-CD1 3.68Å; I44-L173 HydrophobicContact CG2-CD1 3.96Å; I76-L173 HydrophobicContact CB-CD1 4.37Å; I76-L173 HydrophobicContact CD1-CD1 4.24Å; I76-L173 HydrophobicContact CG2-CD1 4.06Å; I151-L173 HydrophobicContact CD1-CD2 3.5Å; L158-L173 HydrophobicContact CB-CB 4.34Å; L158-L173 HydrophobicContact CD1-CB 4.44Å; L158-L173 HydrophobicContact CD1-CD1 4.32Å; V160-L173 HydrophobicContact CB-CD2 4.47Å; V160-L173 HydrophobicContact CG2-CD2 3.81Å; I171-L173 HydrophobicContact CD1-CD2 4.02Å; I171-L173 HydrophobicContact CD1-CG 4.43Å; L173-F182 HydrophobicContact CB-CB 4.17Å; L173-F182 HydrophobicContact CB-CD2 4.37Å; L173-F182 PolarHBondContact N-O 2.94Å; L173-F182 WeakPolarHBondContact O-CD2 3.2Å; L173-F182 PolarHBondContact O-N 3.36Å |
| 174 | H | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.5 | -174.6 | -177.7 | -147.5 | 0 | 0 | 0 | 110.9 | L158 T159 L161 L180 L181 Q219 | L158-H174 WeakPolarHBondContact CA-O 3.34Å; T159-H174 PolarHBondContact N-O 3.04Å; T159-H174 PolarHBondContact O-N 3.18Å; L161-H174 HydrophobicContact CD1-CB 3.76Å; L161-H174 HydrophobicContact CG-CB 4.1Å; H174-L180 PolarHBondContact CD2-O 3.42Å; H174-L181 HydrophobicContact CB-CD1 4.02Å; H174-Q219 PolarHBondContact NE2-O 3.32Å |
| 175 | D | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 96.9 | 166.8 | -179.8 | -15.9 | 0 | 0 | 0 | 108.3 | R156 L158 D177 N178 K179 L180 | R156-D175 IonicContact CZ-OD2 3.52Å; R156-D175 IonicContact NE-OD2 3.23Å; R156-D175 PolarHBondContact NE-OD2 2.99Å; R156-D175 IonicContact NH2-OD2 3.16Å; R156-D175 PolarHBondContact NH2-OD2 3.45Å; L158-D175 HydrophobicContact CD2-CB 3.8Å; D175-D177 PolarHBondContact OD1-N 3.49Å; D175-N178 VanDerWaalsContact CG-ND2 3.33Å; D175-N178 PolarHBondContact OD1-N 3.34Å; D175-N178 PolarHBondContact OD1-ND2 3.21Å; D175-N178 WeakPolarHBondContact OD2-CB 3.14Å; D175-N178 PolarHBondContact OD2-ND2 3.48Å; D175-K179 CarbonylContact O-C 3.54Å; D175-K179 WeakPolarHBondContact O-CA 3.37Å; D175-K179 PolarHBondContact O-N 3.19Å; D175-L180 HydrophobicContact CB-CB 4.13Å; D175-L180 PolarHBondContact N-O 3.31Å; D175-L180 PolarHBondContact O-N 3.03Å |
| 176 | R | 97.2 | Very high | 98.3 | Very high | 162 Ų | 162 | 26 Ų | 26 | 61% | 0.611 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.3 | -173.5 | -171.3 | 177.2 | -176.5 | -168.1 | 0 | 112.7 | K179 | R176-K179 PolarHBondContact O-N 3.3Š|
| 177 | D | 96.8 | Very high | 98.3 | Very high | 125 Ų | 125 | 25.9 Ų | 25.9 | 67% | 0.668 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -37.7 | -174.7 | -65.9 | -23.2 | 0 | 0 | 0 | 111.1 | D175 | D175-D177 PolarHBondContact OD1-N 3.49Š|
| 178 | N | 97.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 26 Ų | 26 | 43% | 0.433 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.9 | 176.2 | -58.6 | -79.8 | 0 | 0 | 0 | 113.3 | D175 L180 | D175-N178 VanDerWaalsContact CG-ND2 3.33Å; D175-N178 PolarHBondContact OD1-N 3.34Å; D175-N178 PolarHBondContact OD1-ND2 3.21Å; D175-N178 WeakPolarHBondContact OD2-CB 3.14Å; D175-N178 PolarHBondContact OD2-ND2 3.48Å; N178-L180 HydrophobicContact CB-CD1 4.02Å; N178-L180 HydrophobicContact CB-CG 3.9Å; N178-L180 WeakPolarHBondContact O-CG 3.48Å; N178-L180 PolarHBondContact O-N 2.85Å |
| 179 | K | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 25.7 Ų | 25.7 | 27% | 0.274 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.6 | -176.2 | -58.1 | -178.3 | 174.3 | -159.1 | 0 | 113.2 | D175 R176 E218 Q219 D221 Q222 | D175-K179 CarbonylContact O-C 3.54Å; D175-K179 WeakPolarHBondContact O-CA 3.37Å; D175-K179 PolarHBondContact O-N 3.19Å; R176-K179 PolarHBondContact O-N 3.3Å; K179-E218 WeakPolarHBondContact CD-O 3.28Å; K179-E218 WeakPolarHBondContact CE-O 3.46Å; K179-E218 PolarHBondContact NZ-O 2.9Å; K179-Q219 WeakPolarHBondContact CA-O 3.36Å; K179-D221 HydrophobicContact CB-CB 4.03Å; K179-D221 HydrophobicContact CD-CB 4.5Å; K179-D221 VanDerWaalsContact CD-OD2 3.26Å; K179-D221 WeakPolarHBondContact CD-OD2 3.14Å; K179-D221 PolarHBondContact O-N 3.45Å; K179-Q222 PolarHBondContact O-N 3.13Å |
| 180 | L | 98.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.7 | 178.8 | -55.7 | 178.6 | 0 | 0 | 0 | 110.8 | L16 H174 D175 N178 F182 Q222 L224 | L16-L180 HydrophobicContact CD2-CD1 4.38Å; H174-L180 PolarHBondContact CD2-O 3.42Å; D175-L180 HydrophobicContact CB-CB 4.13Å; D175-L180 PolarHBondContact N-O 3.31Å; D175-L180 PolarHBondContact O-N 3.03Å; N178-L180 HydrophobicContact CB-CD1 4.02Å; N178-L180 HydrophobicContact CB-CG 3.9Å; N178-L180 WeakPolarHBondContact O-CG 3.48Å; N178-L180 PolarHBondContact O-N 2.85Å; L180-F182 HydrophobicContact CB-CE2 4.5Å; L180-Q222 WeakPolarHBondContact CA-O 3.48Å; L180-Q222 HydrophobicContact CD2-CB 3.73Å; L180-Q222 HydrophobicContact CD2-CG 4.35Å; L180-L224 HydrophobicContact CB-CD1 3.8Å; L180-L224 HydrophobicContact CD1-CD1 4.35Å; L180-L224 HydrophobicContact CD2-CD1 4.18Å; L180-L224 HydrophobicContact CG-CD1 4.32Å |
| 181 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 114 | 176.3 | -171.6 | 72.7 | 0 | 0 | 0 | 110.5 | L161 C172 H174 S183 L211 V220 Q222 V223 L224 L236 | L161-L181 HydrophobicContact CD1-CD1 4.2Å; C172-L181 HydrophobicContact CB-CD1 3.67Å; C172-L181 HydrophobicContact CB-CG 4.22Å; H174-L181 HydrophobicContact CB-CD1 4.02Å; L181-S183 PolarHBondContact O-N 2.6Å; L181-L211 HydrophobicContact CD2-CD2 3.62Å; L181-V220 HydrophobicContact CB-CG1 3.84Å; L181-V220 HydrophobicContact CB-CG2 4.08Å; L181-V220 HydrophobicContact CD2-CG2 4.5Å; L181-Q222 PolarHBondContact N-O 3.06Å; L181-V223 HydrophobicContact CB-CG2 4.49Å; L181-V223 CarbonylContact O-C 3.55Å; L181-V223 WeakPolarHBondContact O-CA 3.33Å; L181-L224 PolarHBondContact O-N 3.44Å; L181-L236 HydrophobicContact CD2-CD2 4.2Å |
| 182 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 102.6 | 168.1 | -57.8 | -90.3 | 0 | 0 | 0 | 107.9 | L16 W33 L35 I44 L158 C172 L173 L180 L224 | L16-F182 HydrophobicContact CD1-CE1 3.92Å; L16-F182 HydrophobicContact CD1-CZ 3.94Å; W33-F182 HydrophobicContact CB-CD1 3.85Å; W33-F182 HydrophobicContact CB-CE1 3.73Å; W33-F182 AromaticContact CD1-CD1 3.72Å; W33-F182 HydrophobicContact CD2-CD1 4.27Å; W33-F182 HydrophobicContact CD2-CE1 4.25Å; W33-F182 AromaticContact CG-CD1 3.65Å; W33-F182 HydrophobicContact CG-CD1 3.65Å; W33-F182 AromaticContact CG-CE1 3.82Å; W33-F182 HydrophobicContact CG-CE1 3.82Å; L35-F182 HydrophobicContact CD1-CE1 3.71Å; L35-F182 HydrophobicContact CD1-CE2 4.24Å; L35-F182 HydrophobicContact CD1-CZ 3.56Å; L35-F182 HydrophobicContact CD2-CE2 3.64Å; L35-F182 HydrophobicContact CD2-CZ 3.59Å; L35-F182 HydrophobicContact CG-CE2 4.47Å; L35-F182 HydrophobicContact CG-CZ 3.94Å; I44-F182 HydrophobicContact CD1-CB 3.86Å; I44-F182 HydrophobicContact CD1-CD1 3.56Å; I44-F182 HydrophobicContact CD1-CD2 3.73Å; I44-F182 HydrophobicContact CD1-CE1 4.03Å; I44-F182 HydrophobicContact CD1-CE2 4.2Å; I44-F182 HydrophobicContact CD1-CG 3.41Å; I44-F182 VanDerWaalsContact CD1-CG 3.41Å; I44-F182 HydrophobicContact CD1-CZ 4.35Å; L158-F182 HydrophobicContact CD2-CE2 4.24Å; C172-F182 CarbonylContact C-O 3.5Å; C172-F182 WeakPolarHBondContact CA-O 3.16Å; L173-F182 HydrophobicContact CB-CB 4.17Å; L173-F182 HydrophobicContact CB-CD2 4.37Å; L173-F182 PolarHBondContact N-O 2.94Å; L173-F182 WeakPolarHBondContact O-CD2 3.2Å; L173-F182 PolarHBondContact O-N 3.36Å; L180-F182 HydrophobicContact CB-CE2 4.5Å; F182-L224 WeakPolarHBondContact CA-O 3.41Å; F182-L224 HydrophobicContact CD1-CB 3.59Å; F182-L224 HydrophobicContact CD1-CD1 4.28Å; F182-L224 HydrophobicContact CD1-CD2 4.43Å; F182-L224 HydrophobicContact CD1-CG 4.3Å; F182-L224 HydrophobicContact CE1-CB 3.81Å; F182-L224 HydrophobicContact CE1-CD1 3.93Å; F182-L224 HydrophobicContact CE1-CD2 3.77Å; F182-L224 HydrophobicContact CE1-CG 4.03Å; F182-L224 HydrophobicContact CE2-CD1 4.46Å; F182-L224 HydrophobicContact CG-CB 4.33Å; F182-L224 HydrophobicContact CZ-CD1 4Å; F182-L224 HydrophobicContact CZ-CD2 4.33Å |
| 183 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -9.8 | -166.1 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | L181 D185 V186 V187 V223 L224 P225 | L181-S183 PolarHBondContact O-N 2.6Å; S183-D185 PolarHBondContact O-N 3.46Å; S183-V186 VanDerWaalsContact O-CB 3.28Å; S183-V186 WeakPolarHBondContact O-CB 3.26Å; S183-V186 WeakPolarHBondContact O-CG2 3.39Å; S183-V186 PolarHBondContact O-N 2.87Å; S183-V187 WeakPolarHBondContact CB-O 3.14Å; S183-V187 PolarHBondContact OG-O 2.92Å; S183-V223 WeakPolarHBondContact OG-CG1 3.34Å; S183-L224 PolarHBondContact N-O 2.93Å; S183-P225 WeakPolarHBondContact OG-CA 3.41Å |
| 184 | G | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.7 | -127.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G226 | G184-G226 WeakPolarHBondContact O-CA 3.46Å; G184-G226 PolarHBondContact O-N 3.14Å |
| 185 | D | 98.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.1 | -179 | -86.9 | 34.7 | 0 | 0 | 0 | 115.3 | H84 H166 S183 V187 Y188 Y204 H227 | H84-D185 IonicContact CE1-OD1 2.68Å; H84-D185 PolarHBondContact CE1-OD1 3.3Å; H84-D185 VanDerWaalsContact CE1-OD1 3.26Å; H84-D185 IonicContact NE2-OD1 3.75Å; H84-D185 PolarHBondContact NE2-OD1 2.81Å; H166-D185 WeakPolarHBondContact CD2-CB 3.34Å; H166-D185 IonicContact CE1-OD2 3.06Å; H166-D185 WeakPolarHBondContact NE2-CB 3.4Å; H166-D185 IonicContact NE2-OD2 3.46Å; S183-D185 PolarHBondContact O-N 3.46Å; D185-V187 VanDerWaalsContact C-N 3.3Å; D185-Y188 HydrophobicContact CB-CD1 4.39Å; D185-Y188 HydrophobicContact CB-CE1 3.87Å; D185-Y188 WeakPolarHBondContact OD2-CE1 2.96Å; D185-Y204 PolarHBondContact O-OH 3.44Å; D185-H227 VanDerWaalsContact CG-CD2 3.48Å; D185-H227 IonicContact OD1-CD2 3.75Å; D185-H227 PolarHBondContact OD1-CD2 3.33Å; D185-H227 IonicContact OD1-NE2 2.78Å; D185-H227 PolarHBondContact OD1-NE2 3.42Å; D185-H227 IonicContact OD2-CD2 3.82Å; D185-H227 PolarHBondContact OD2-CD2 3.28Å; D185-H227 VanDerWaalsContact OD2-CD2 3.26Å; D185-H227 IonicContact OD2-NE2 3.18Å; D185-H227 PolarHBondContact OD2-NE2 2.79Å |
| 186 | V | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -67.1 | -35.8 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | M163 S183 M192 Y204 L211 | M163-V186 HydrophobicContact CB-CB 4.31Å; M163-V186 HydrophobicContact CB-CG1 3.62Å; M163-V186 HydrophobicContact CB-CG2 3.66Å; M163-V186 HydrophobicContact CG-CG1 4.24Å; S183-V186 VanDerWaalsContact O-CB 3.28Å; S183-V186 WeakPolarHBondContact O-CB 3.26Å; S183-V186 WeakPolarHBondContact O-CG2 3.39Å; S183-V186 PolarHBondContact O-N 2.87Å; V186-M192 VanDerWaalsContact O-CE 3.23Å; V186-M192 WeakPolarHBondContact O-CE 3.4Å; V186-Y204 VanDerWaalsContact O-CE2 3.22Å; V186-Y204 WeakPolarHBondContact O-CE2 3.46Å; V186-Y204 PolarHBondContact O-OH 3.17Å; V186-L211 HydrophobicContact CG1-CD1 3.97Å |
| 187 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -160.6 | 132.1 | 174 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | S183 D185 M192 L211 F231 L236 L239 | S183-V187 WeakPolarHBondContact CB-O 3.14Å; S183-V187 PolarHBondContact OG-O 2.92Å; D185-V187 VanDerWaalsContact C-N 3.3Å; V187-M192 HydrophobicContact CB-CE 4.46Å; V187-M192 HydrophobicContact CG2-SD 4.36Å; V187-L211 HydrophobicContact CB-CD1 3.97Å; V187-L211 HydrophobicContact CG1-CD1 3.74Å; V187-L211 HydrophobicContact CG1-CD2 4.49Å; V187-F231 HydrophobicContact CG1-CZ 4.46Å; V187-F231 HydrophobicContact CG2-CZ 4.14Å; V187-L236 HydrophobicContact CB-CD1 4.2Å; V187-L236 HydrophobicContact CG1-CD1 3.48Å; V187-L236 VanDerWaalsContact CG1-CD1 3.48Å; V187-L236 HydrophobicContact CG2-CD1 3.88Å; V187-L239 HydrophobicContact CG2-CB 4.06Å; V187-L239 HydrophobicContact CG2-CD1 4.11Å |
| 188 | Y | 97.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | trans | -149.2 | 167.2 | 175.2 | 47.7 | -97.8 | 0 | 0 | 0 | 110 | D185 G190 A191 H227 Y228 L239 | D185-Y188 HydrophobicContact CB-CD1 4.39Å; D185-Y188 HydrophobicContact CB-CE1 3.87Å; D185-Y188 WeakPolarHBondContact OD2-CE1 2.96Å; Y188-G190 PolarHBondContact O-N 2.79Å; Y188-A191 WeakPolarHBondContact CE2-O 3.26Å; Y188-A191 PolarHBondContact OH-O 2.86Å; Y188-H227 HydrophobicContact CG-CB 4.45Å; Y188-Y228 AromaticContact CD2-CD2 3.64Å; Y188-Y228 HydrophobicContact CD2-CD2 3.64Å; Y188-Y228 AromaticContact CD2-CE2 3.53Å; Y188-Y228 HydrophobicContact CD2-CE2 3.53Å; Y188-Y228 HydrophobicContact CE2-CD2 4.42Å; Y188-Y228 AromaticContact CE2-CE2 3.86Å; Y188-Y228 HydrophobicContact CE2-CE2 3.86Å; Y188-Y228 HydrophobicContact CG-CD2 4.27Å; Y188-Y228 HydrophobicContact CG-CE2 4.5Å; Y188-L239 WeakPolarHBondContact O-CD1 3.45Å | ||
| 189 | D | 93.5 | Very high | 95.5 | Very high | 62 Ų | 62 | 24.1 Ų | 24.1 | 33% | 0.332 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -78.1 | 53.2 | -176.3 | -160.3 | 15.1 | 0 | 0 | 0 | 113.2 | F231 R235 | D189-F231 HydrophobicContact CB-CD1 4.13Å; D189-F231 HydrophobicContact CB-CE1 4.49Å; D189-R235 IonicContact OD1-CZ 2.62Å; D189-R235 IonicContact OD1-NE 3.83Å; D189-R235 PolarHBondContact OD1-NE 2.96Å; D189-R235 IonicContact OD1-NH2 2.74Å; D189-R235 PolarHBondContact OD1-NH2 3.28Å; D189-R235 IonicContact OD2-NE 3.92Å |
| 190 | G | 90.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 26% | 0.258 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -154.6 | -163 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y188 M192 | Y188-G190 PolarHBondContact O-N 2.79Å; G190-M192 PolarHBondContact O-N 2.91Å |
| 191 | A | 90.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 26.5 Ų | 26.5 | 58% | 0.579 | 15% | 0.145 | S | C | * | . | trans | -79.3 | 112.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y188 I193 | Y188-A191 WeakPolarHBondContact CE2-O 3.26Å; Y188-A191 PolarHBondContact OH-O 2.86Å; A191-I193 WeakPolarHBondContact O-CG1 3.06Å; A191-I193 PolarHBondContact O-N 3.05Å | ||
| 192 | M | 94 | Very high | 95 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | trans | -63.8 | 118.2 | 174 | -64.8 | 171.1 | 69.2 | 0 | 0 | 110.3 | V186 V187 G190 Y204 C208 Y243 | V186-M192 VanDerWaalsContact O-CE 3.23Å; V186-M192 WeakPolarHBondContact O-CE 3.4Å; V187-M192 HydrophobicContact CB-CE 4.46Å; V187-M192 HydrophobicContact CG2-SD 4.36Å; G190-M192 PolarHBondContact O-N 2.91Å; M192-Y204 HydrophobicContact CB-CE1 4.29Å; M192-Y204 HydrophobicContact CE-CD2 4.06Å; M192-Y204 HydrophobicContact CE-CE1 4.47Å; M192-Y204 HydrophobicContact CE-CE2 3.16Å; M192-Y204 VanDerWaalsContact CE-CZ 3.43Å; M192-Y204 WeakPolarHBondContact CE-OH 3.46Å; M192-C208 VanDerWaalsContact CE-SG 3.54Å; M192-Y243 HydrophobicContact CB-CD2 3.83Å; M192-Y243 HydrophobicContact CB-CE2 4.27Å; M192-Y243 HydrophobicContact CE-CD2 4.25Å; M192-Y243 HydrophobicContact CE-CG 4.06Å; M192-Y243 HydrophobicContact SD-CD2 4.21Å; M192-Y243 HydrophobicContact SD-CG 4.17Å | ||
| 193 | I | 92.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | trans | -91.7 | 122.9 | -172.1 | -65.2 | 172.8 | 0 | 0 | 0 | 110.8 | H166 A191 W195 L196 Y204 | H166-I193 PolarHBondContact ND1-O 2.81Å; A191-I193 WeakPolarHBondContact O-CG1 3.06Å; A191-I193 PolarHBondContact O-N 3.05Å; I193-W195 HydrophobicContact CG2-CD2 4.18Å; I193-W195 HydrophobicContact CG2-CG 4.42Å; I193-W195 HydrophobicContact CG2-CZ2 4.13Å; I193-L196 HydrophobicContact CG2-CD1 3.58Å; I193-L196 HydrophobicContact CG2-CG 3.57Å; I193-Y204 WeakPolarHBondContact O-CE1 3.29Å | ||
| 194 | D | 93.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | trans | -130.7 | 15.2 | -176 | 64.6 | 10 | 0 | 0 | 0 | 114.3 | S199 V201 Y204 Y243 T256 | D194-S199 WeakPolarHBondContact O-CB 3.5Å; D194-V201 HydrophobicContact CB-CG2 4.2Å; D194-Y204 HydrophobicContact CB-CD1 3.82Å; D194-Y204 HydrophobicContact CB-CE1 4.26Å; D194-Y243 HydrophobicContact CB-CE2 4.32Å; D194-Y243 VanDerWaalsContact CB-OH 3.31Å; D194-Y243 WeakPolarHBondContact CB-OH 3.4Å; D194-Y243 WeakPolarHBondContact OD2-CE2 3.48Å; D194-Y243 PolarHBondContact OD2-OH 3.16Å; D194-T256 PolarHBondContact OD1-OG1 3.33Å | ||
| 195 | W | 91.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | trans | -116.6 | 4.8 | -175.1 | 51.5 | -97.2 | 0 | 0 | 0 | 113.5 | W115 I193 T256 W259 R260 | W115-W195 HydrophobicContact CH2-CZ3 4.19Å; W115-W195 HydrophobicContact CZ3-CH2 4.4Å; W115-W195 HydrophobicContact CZ3-CZ3 4.2Å; I193-W195 HydrophobicContact CG2-CD2 4.18Å; I193-W195 HydrophobicContact CG2-CG 4.42Å; I193-W195 HydrophobicContact CG2-CZ2 4.13Å; W195-T256 HydrophobicContact CB-CG2 3.95Å; W195-W259 HydrophobicContact CB-CB 3.86Å; W195-W259 HydrophobicContact CD2-CB 3.79Å; W195-W259 HydrophobicContact CD2-CG 4.47Å; W195-W259 HydrophobicContact CE3-CB 4.07Å; W195-W259 HydrophobicContact CG-CB 3.7Å; W195-W259 HydrophobicContact CG-CG 4.49Å; W195-R260 HydrophobicContact CB-CB 4.43Å; W195-R260 VanDerWaalsContact O-CA 3.23Å; W195-R260 WeakPolarHBondContact O-CA 3.44Å; W195-R260 WeakPolarHBondContact O-CB 3.3Å; W195-R260 WeakPolarHBondContact O-CG 3.49Å | ||
| 196 | L | 93.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75.7 | 166.9 | 176.9 | -71.1 | 174.5 | 0 | 0 | 0 | 111 | H81 V113 W115 I193 Y198 S199 | H81-L196 VanDerWaalsContact CE1-CD1 3.5Å; H81-L196 WeakPolarHBondContact CE1-CD1 3.27Å; V113-L196 HydrophobicContact CG1-CD1 4.26Å; V113-L196 HydrophobicContact CG1-CD2 3.64Å; V113-L196 HydrophobicContact CG1-CG 4.5Å; V113-L196 HydrophobicContact CG2-CB 4.41Å; V113-L196 HydrophobicContact CG2-CD1 4.41Å; V113-L196 HydrophobicContact CG2-CD2 4.37Å; W115-L196 HydrophobicContact CH2-CD2 4.36Å; W115-L196 HydrophobicContact CZ3-CD2 3.81Å; I193-L196 HydrophobicContact CG2-CD1 3.58Å; I193-L196 HydrophobicContact CG2-CG 3.57Å; L196-Y198 PolarHBondContact O-N 2.81Å; L196-S199 WeakPolarHBondContact CB-OG 3.43Å; L196-S199 PolarHBondContact N-OG 2.91Å; L196-S199 VanDerWaalsContact N-OG 3.16Å; L196-S199 WeakPolarHBondContact O-CB 3.5Å; L196-S199 PolarHBondContact O-N 3.11Å; L196-S199 VanDerWaalsContact O-N 3.11Å; L196-S199 PolarHBondContact O-OG 2.99Å |
| 197 | P | 91.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 132.5 | 170.1 | -28.1 | 35.6 | 0 | 0 | 0 | 111.6 | F110 V113 S199 L267 | F110-P197 HydrophobicContact CD1-CB 4.21Å; F110-P197 HydrophobicContact CD1-CG 4.36Å; F110-P197 HydrophobicContact CE1-CB 3.61Å; F110-P197 HydrophobicContact CE1-CG 3.82Å; F110-P197 HydrophobicContact CE2-CG 4.14Å; F110-P197 HydrophobicContact CZ-CB 3.93Å; F110-P197 HydrophobicContact CZ-CG 3.68Å; V113-P197 HydrophobicContact CG2-CG 4.32Å; P197-S199 PolarHBondContact O-N 3.08Å; P197-S199 VanDerWaalsContact O-N 3.1Å; P197-L267 HydrophobicContact CG-CD1 3.37Å |
| 198 | Y | 93.6 | Very high | 94.9 | Very high | 105 Ų | 105 | 36.9 Ų | 36.9 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 6 | 178.7 | -46.5 | -75.7 | 0 | 0 | 0 | 116 | F110 E111 R168 L196 | F110-Y198 HydrophobicContact CD1-CE2 4.23Å; F110-Y198 HydrophobicContact CE1-CE2 4.14Å; E111-Y198 HydrophobicContact CB-CD2 4.31Å; E111-Y198 HydrophobicContact CB-CE2 3.87Å; E111-Y198 HydrophobicContact CG-CD2 3.71Å; E111-Y198 HydrophobicContact CG-CE2 3.71Å; E111-Y198 WeakPolarHBondContact OE2-CE2 3.24Å; R168-Y198 VanDerWaalsContact NH2-CD2 3.32Å; L196-Y198 PolarHBondContact O-N 2.81Å |
| 199 | S | 94.9 | Very high | 95 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | trans | -66.4 | 140.9 | 165.3 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | G165 H166 D194 L196 P197 | G165-S199 CarbonylContact O-C 3.58Å; G165-S199 WeakPolarHBondContact O-CA 3.36Å; G165-S199 VanDerWaalsContact O-CB 3.29Å; G165-S199 WeakPolarHBondContact O-CB 3.42Å; H166-S199 WeakPolarHBondContact O-CB 3.48Å; H166-S199 PolarHBondContact O-OG 2.98Å; D194-S199 WeakPolarHBondContact O-CB 3.5Å; L196-S199 WeakPolarHBondContact CB-OG 3.43Å; L196-S199 PolarHBondContact N-OG 2.91Å; L196-S199 VanDerWaalsContact N-OG 3.16Å; L196-S199 WeakPolarHBondContact O-CB 3.5Å; L196-S199 PolarHBondContact O-N 3.11Å; L196-S199 VanDerWaalsContact O-N 3.11Å; L196-S199 PolarHBondContact O-OG 2.99Å; P197-S199 PolarHBondContact O-N 3.08Å; P197-S199 VanDerWaalsContact O-N 3.1Å | ||
| 200 | Q | 94.9 | Very high | 95.2 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | trans | -138.1 | 109.2 | -176.1 | -73.9 | -81.6 | 90.9 | 0 | 0 | 110.4 | G165 S202 D203 Y204 | G165-Q200 WeakPolarHBondContact CA-O 3.48Å; G165-Q200 PolarHBondContact O-N 2.7Å; Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 PolarHBondContact O-N 3.12Å; Q200-D203 HydrophobicContact CB-CB 4.02Å; Q200-D203 VanDerWaalsContact CB-OD2 3.23Å; Q200-D203 WeakPolarHBondContact CB-OD2 3.46Å; Q200-D203 PolarHBondContact O-N 2.82Å; Q200-Y204 PolarHBondContact O-N 3.26Å | ||
| 201 | V | 95.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 42 Ų | 42 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -38.6 | -174.6 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | D194 D203 Y204 V205 A247 T256 | D194-V201 HydrophobicContact CB-CG2 4.2Å; V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.28Å; V201-Y204 PolarHBondContact O-N 2.99Å; V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 3.28Å; V201-A247 HydrophobicContact CG1-CB 4.05Å; V201-T256 HydrophobicContact CG2-CG2 4.26Å |
| 202 | S | 95.7 | Very high | 96 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 178 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | Q200 Y204 V205 S206 | Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 PolarHBondContact O-N 3.12Å; S202-Y204 VanDerWaalsContact C-N 3.3Å; S202-Y204 PolarHBondContact O-N 3.43Å; S202-V205 PolarHBondContact O-N 3.15Å; S202-S206 PolarHBondContact O-N 2.97Å; S202-S206 VanDerWaalsContact O-N 3.13Å; S202-S206 PolarHBondContact O-OG 3.16Å |
| 203 | D | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -39.6 | -178.9 | -58.4 | -10 | 0 | 0 | 0 | 109.5 | P164 Q200 V201 V205 S206 S207 | P164-D203 HydrophobicContact CB-CB 4.06Å; P164-D203 HydrophobicContact CG-CB 4.05Å; P164-D203 CarbonylContact O-C 3.59Å; Q200-D203 HydrophobicContact CB-CB 4.02Å; Q200-D203 VanDerWaalsContact CB-OD2 3.23Å; Q200-D203 WeakPolarHBondContact CB-OD2 3.46Å; Q200-D203 PolarHBondContact O-N 2.82Å; V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.28Å; D203-V205 PolarHBondContact O-N 3.23Å; D203-S206 PolarHBondContact O-N 3.23Å; D203-S207 PolarHBondContact O-N 3.38Å; D203-S207 PolarHBondContact O-OG 2.89Å |
| 204 | Y | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -38 | 177 | -147.7 | 160.1 | 0 | 0 | 0 | 112.5 | P164 H166 D185 V186 M192 I193 D194 Q200 V201 S202 S207 C208 Y243 | P164-Y204 PolarHBondContact O-N 2.69Å; H166-Y204 HydrophobicContact CB-CE1 4.09Å; D185-Y204 PolarHBondContact O-OH 3.44Å; V186-Y204 VanDerWaalsContact O-CE2 3.22Å; V186-Y204 WeakPolarHBondContact O-CE2 3.46Å; V186-Y204 PolarHBondContact O-OH 3.17Å; M192-Y204 HydrophobicContact CB-CE1 4.29Å; M192-Y204 HydrophobicContact CE-CD2 4.06Å; M192-Y204 HydrophobicContact CE-CE1 4.47Å; M192-Y204 HydrophobicContact CE-CE2 3.16Å; M192-Y204 VanDerWaalsContact CE-CZ 3.43Å; M192-Y204 WeakPolarHBondContact CE-OH 3.46Å; I193-Y204 WeakPolarHBondContact O-CE1 3.29Å; D194-Y204 HydrophobicContact CB-CD1 3.82Å; D194-Y204 HydrophobicContact CB-CE1 4.26Å; Q200-Y204 PolarHBondContact O-N 3.26Å; V201-Y204 PolarHBondContact O-N 2.99Å; S202-Y204 VanDerWaalsContact C-N 3.3Å; S202-Y204 PolarHBondContact O-N 3.43Å; Y204-S207 PolarHBondContact O-N 3.35Å; Y204-C208 WeakPolarHBondContact O-CB 3.37Å; Y204-C208 PolarHBondContact O-N 3.13Å; Y204-C208 PolarHBondContact O-SG 3.26Å; Y204-Y243 HydrophobicContact CD1-CE1 4.18Å; Y204-Y243 HydrophobicContact CD1-CE2 4.06Å; Y204-Y243 AromaticContact CD1-CZ 3.62Å; Y204-Y243 WeakPolarHBondContact CD1-OH 3.46Å; Y204-Y243 HydrophobicContact CD2-CE1 4.17Å; Y204-Y243 HydrophobicContact CE1-CE2 4.29Å; Y204-Y243 AromaticContact CG-CE1 3.74Å; Y204-Y243 HydrophobicContact CG-CE1 3.74Å; Y204-Y243 HydrophobicContact CG-CE2 4.41Å; Y204-Y243 AromaticContact CG-CZ 3.68Å |
| 205 | V | 98.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 172.4 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | V201 S202 D203 S207 C208 E209 Y243 I244 A247 | V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 3.28Å; S202-V205 PolarHBondContact O-N 3.15Å; D203-V205 PolarHBondContact O-N 3.23Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 3.28Å; V205-C208 WeakPolarHBondContact O-CB 3.46Å; V205-C208 PolarHBondContact O-N 3.1Å; V205-C208 VanDerWaalsContact O-N 3.16Å; V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 2.87Å; V205-Y243 HydrophobicContact CG2-CE1 4.09Å; V205-I244 HydrophobicContact CG1-CG1 4.33Å; V205-I244 HydrophobicContact CG1-CG2 4.43Å; V205-A247 HydrophobicContact CG2-CB 3.44Å; V205-A247 VanDerWaalsContact CG2-CB 3.44Å |
| 206 | S | 98.5 | Very high | 97.1 | Very high | 61 Ų | 61 | 43 Ų | 43 | 43% | 0.427 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | S202 D203 E209 R210 | S202-S206 PolarHBondContact O-N 2.97Å; S202-S206 VanDerWaalsContact O-N 3.13Å; S202-S206 PolarHBondContact O-OG 3.16Å; D203-S206 PolarHBondContact O-N 3.23Å; S206-E209 PolarHBondContact O-N 3.1Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 3.28Å |
| 207 | S | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | M163 P164 D203 Y204 V205 E209 R210 L211 | M163-S207 VanDerWaalsContact CA-OG 3.31Å; M163-S207 WeakPolarHBondContact CA-OG 3.38Å; P164-S207 PolarHBondContact O-OG 2.8Å; D203-S207 PolarHBondContact O-N 3.38Å; D203-S207 PolarHBondContact O-OG 2.89Å; Y204-S207 PolarHBondContact O-N 3.35Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 3.28Å; S207-E209 PolarHBondContact O-N 3.03Å; S207-R210 PolarHBondContact O-N 2.99Å; S207-L211 WeakPolarHBondContact O-CG 3.47Å; S207-L211 PolarHBondContact O-N 3.13Å |
| 208 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.4 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | M192 Y204 V205 R210 L211 I212 Y243 I244 | M192-C208 VanDerWaalsContact CE-SG 3.54Å; Y204-C208 WeakPolarHBondContact O-CB 3.37Å; Y204-C208 PolarHBondContact O-N 3.13Å; Y204-C208 PolarHBondContact O-SG 3.26Å; V205-C208 WeakPolarHBondContact O-CB 3.46Å; V205-C208 PolarHBondContact O-N 3.1Å; V205-C208 VanDerWaalsContact O-N 3.16Å; C208-R210 VanDerWaalsContact C-N 3.34Å; C208-L211 PolarHBondContact O-N 3.38Å; C208-I212 WeakPolarHBondContact O-CG1 3.45Å; C208-I212 PolarHBondContact O-N 3.44Å; C208-Y243 HydrophobicContact CB-CD1 4.49Å; C208-Y243 WeakPolarHBondContact SG-CD1 3.49Å; C208-I244 HydrophobicContact CB-CD1 3.71Å; C208-I244 HydrophobicContact CB-CG1 3.62Å |
| 209 | E | 98.8 | Very high | 97.9 | Very high | 106 Ų | 106 | 49 Ų | 49 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.6 | -71.2 | 171.5 | 160.8 | 0 | 0 | 111.1 | V205 S206 S207 I212 G213 I244 | V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 2.87Å; S206-E209 PolarHBondContact O-N 3.1Å; S207-E209 PolarHBondContact O-N 3.03Å; E209-I212 PolarHBondContact O-N 2.84Å; E209-G213 PolarHBondContact O-N 3.02Å; E209-I244 HydrophobicContact CG-CD1 3.75Å |
| 210 | R | 98.8 | Very high | 98 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.3 | -70.6 | 173.8 | 68.7 | -166.5 | 0.9 | 112.1 | E147 H162 M163 S206 S207 C208 I212 G213 L214 | E147-R210 IonicContact OE1-NH2 2.68Å; E147-R210 PolarHBondContact OE1-NH2 3.48Å; E147-R210 IonicContact OE2-CZ 3.23Å; E147-R210 IonicContact OE2-NH1 3.26Å; E147-R210 IonicContact OE2-NH2 3.06Å; E147-R210 PolarHBondContact OE2-NH2 2.92Å; H162-R210 PolarHBondContact O-NH1 3.01Å; M163-R210 HydrophobicContact CE-CB 3.91Å; M163-R210 HydrophobicContact SD-CB 4.16Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 3.28Å; S207-R210 PolarHBondContact O-N 2.99Å; C208-R210 VanDerWaalsContact C-N 3.34Å; R210-I212 VanDerWaalsContact C-N 3.31Å; R210-I212 PolarHBondContact O-N 2.67Å; R210-G213 PolarHBondContact O-N 2.87Å; R210-G213 VanDerWaalsContact O-N 3.14Å; R210-L214 WeakPolarHBondContact O-CG 3.5Å; R210-L214 PolarHBondContact O-N 3.03Å |
| 211 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 175.6 | -72.4 | 174 | 0 | 0 | 0 | 112.3 | L181 V186 V187 S207 C208 L214 V215 L236 | L181-L211 HydrophobicContact CD2-CD2 3.62Å; V186-L211 HydrophobicContact CG1-CD1 3.97Å; V187-L211 HydrophobicContact CB-CD1 3.97Å; V187-L211 HydrophobicContact CG1-CD1 3.74Å; V187-L211 HydrophobicContact CG1-CD2 4.49Å; S207-L211 WeakPolarHBondContact O-CG 3.47Å; S207-L211 PolarHBondContact O-N 3.13Å; C208-L211 PolarHBondContact O-N 3.38Å; L211-L214 HydrophobicContact CD2-CD1 4.45Å; L211-L214 PolarHBondContact O-N 2.91Å; L211-V215 PolarHBondContact O-N 3.32Å; L211-L236 HydrophobicContact CB-CD1 4.24Å; L211-L236 HydrophobicContact CD1-CD1 4.11Å; L211-L236 HydrophobicContact CD2-CD1 4.29Å; L211-L236 HydrophobicContact CG-CD1 4.46Å |
| 212 | I | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.5 | -69.9 | 166.4 | 0 | 0 | 0 | 110 | C208 E209 R210 L214 V215 D216 S241 I244 | C208-I212 WeakPolarHBondContact O-CG1 3.45Å; C208-I212 PolarHBondContact O-N 3.44Å; E209-I212 PolarHBondContact O-N 2.84Å; R210-I212 VanDerWaalsContact C-N 3.31Å; R210-I212 PolarHBondContact O-N 2.67Å; I212-L214 VanDerWaalsContact C-N 3.28Å; I212-L214 PolarHBondContact O-N 3.21Å; I212-V215 WeakPolarHBondContact O-CB 3.44Å; I212-V215 PolarHBondContact O-N 3.2Å; I212-D216 WeakPolarHBondContact CG2-OD2 3.22Å; I212-D216 PolarHBondContact O-N 3.3Å; I212-S241 WeakPolarHBondContact CD1-OG 3.04Å; I212-I244 HydrophobicContact CD1-CD1 3.67Å |
| 213 | G | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | E209 R210 S217 | E209-G213 PolarHBondContact O-N 3.02Å; R210-G213 PolarHBondContact O-N 2.87Å; R210-G213 VanDerWaalsContact O-N 3.14Å; G213-S217 WeakPolarHBondContact O-CB 3.23Å; G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 VanDerWaalsContact O-N 3.07Å; G213-S217 PolarHBondContact O-OG 3.11Å |
| 214 | L | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 174.2 | -67.1 | 175.8 | 0 | 0 | 0 | 112.4 | L161 M163 R210 L211 I212 S217 Q219 V220 | L161-L214 HydrophobicContact CD1-CD1 3.79Å; M163-L214 HydrophobicContact CE-CD1 4.49Å; R210-L214 WeakPolarHBondContact O-CG 3.5Å; R210-L214 PolarHBondContact O-N 3.03Å; L211-L214 HydrophobicContact CD2-CD1 4.45Å; L211-L214 PolarHBondContact O-N 2.91Å; I212-L214 VanDerWaalsContact C-N 3.28Å; I212-L214 PolarHBondContact O-N 3.21Å; L214-S217 PolarHBondContact O-OG 2.91Å; L214-Q219 HydrophobicContact CD2-CB 4.41Å; L214-Q219 WeakPolarHBondContact O-CB 3.49Å; L214-Q219 PolarHBondContact O-N 3.29Å; L214-V220 HydrophobicContact CB-CG2 4.05Å; L214-V220 HydrophobicContact CD1-CG2 4.43Å |
| 215 | V | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -46.5 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | L211 I212 S217 E218 A233 L236 H237 | L211-V215 PolarHBondContact O-N 3.32Å; I212-V215 WeakPolarHBondContact O-CB 3.44Å; I212-V215 PolarHBondContact O-N 3.2Å; V215-S217 PolarHBondContact O-N 3.19Å; V215-E218 WeakPolarHBondContact O-CA 3.31Å; V215-E218 PolarHBondContact O-N 2.68Å; V215-A233 HydrophobicContact CG1-CB 3.96Å; V215-A233 HydrophobicContact CG2-CB 4.26Å; V215-L236 HydrophobicContact CG2-CB 4.12Å; V215-L236 HydrophobicContact CG2-CD2 3.46Å; V215-L236 VanDerWaalsContact CG2-CD2 3.46Å; V215-L236 HydrophobicContact CG2-CG 3.77Å; V215-H237 HydrophobicContact CB-CB 4.48Å; V215-H237 HydrophobicContact CG1-CB 4.11Å |
| 216 | D | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.9 | -28.6 | -177.1 | -69.7 | -11 | 0 | 0 | 0 | 112.6 | I212 E218 H237 | I212-D216 WeakPolarHBondContact CG2-OD2 3.22Å; I212-D216 PolarHBondContact O-N 3.3Å; D216-E218 VanDerWaalsContact C-N 3.3Å; D216-H237 IonicContact OD1-CD2 3.07Å; D216-H237 PolarHBondContact OD1-CD2 2.87Å; D216-H237 IonicContact OD1-NE2 3.26Å |
| 217 | S | 98.3 | Very high | 98.5 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 43% | 0.434 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 11.3 | 173.4 | 57 | 0 | 0 | 0 | 0 | 113.8 | G213 L214 V215 Q219 | G213-S217 WeakPolarHBondContact O-CB 3.23Å; G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 VanDerWaalsContact O-N 3.07Å; G213-S217 PolarHBondContact O-OG 3.11Å; L214-S217 PolarHBondContact O-OG 2.91Å; V215-S217 PolarHBondContact O-N 3.19Å; S217-Q219 PolarHBondContact O-N 3.42Å; S217-Q219 WeakPolarHBondContact OG-CG 3.38Å; S217-Q219 PolarHBondContact OG-NE2 3.03Å |
| 218 | E | 98.2 | Very high | 98.4 | Very high | 137 Ų | 137 | 44.8 Ų | 44.8 | 64% | 0.64 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.7 | 177.5 | -55.2 | -176.6 | -178.1 | 0 | 0 | 114 | K179 V215 D216 | K179-E218 WeakPolarHBondContact CD-O 3.28Å; K179-E218 WeakPolarHBondContact CE-O 3.46Å; K179-E218 PolarHBondContact NZ-O 2.9Å; V215-E218 WeakPolarHBondContact O-CA 3.31Å; V215-E218 PolarHBondContact O-N 2.68Å; D216-E218 VanDerWaalsContact C-N 3.3Å |
| 219 | Q | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | trans | -89 | -11.8 | -178.3 | -66.3 | -172 | 77.5 | 0 | 0 | 113.7 | H174 K179 L214 S217 | H174-Q219 PolarHBondContact NE2-O 3.32Å; K179-Q219 WeakPolarHBondContact CA-O 3.36Å; L214-Q219 HydrophobicContact CD2-CB 4.41Å; L214-Q219 WeakPolarHBondContact O-CB 3.49Å; L214-Q219 PolarHBondContact O-N 3.29Å; S217-Q219 PolarHBondContact O-N 3.42Å; S217-Q219 WeakPolarHBondContact OG-CG 3.38Å; S217-Q219 PolarHBondContact OG-NE2 3.03Å | ||
| 220 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | trans | -135.4 | 123.3 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | L181 L214 V223 A233 L236 | L181-V220 HydrophobicContact CB-CG1 3.84Å; L181-V220 HydrophobicContact CB-CG2 4.08Å; L181-V220 HydrophobicContact CD2-CG2 4.5Å; L214-V220 HydrophobicContact CB-CG2 4.05Å; L214-V220 HydrophobicContact CD1-CG2 4.43Å; V220-V223 HydrophobicContact CG1-CG2 4.12Å; V220-A233 WeakPolarHBondContact O-CB 3.29Å; V220-L236 HydrophobicContact CG1-CD2 3.99Å | ||
| 221 | D | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 44 Ų | 44 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -103.5 | -37.2 | 174.3 | -75.1 | -12 | 0 | 0 | 0 | 111.1 | K179 G232 A233 | K179-D221 HydrophobicContact CB-CB 4.03Å; K179-D221 HydrophobicContact CD-CB 4.5Å; K179-D221 VanDerWaalsContact CD-OD2 3.26Å; K179-D221 WeakPolarHBondContact CD-OD2 3.14Å; K179-D221 PolarHBondContact O-N 3.45Å; D221-G232 CarbonylContact O-C 3.57Å; D221-G232 VanDerWaalsContact O-CA 3.26Å; D221-G232 WeakPolarHBondContact O-CA 3.18Å; D221-A233 PolarHBondContact O-N 3.4Å |
| 222 | Q | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.5 | -176.1 | -175.1 | 174.1 | 21.1 | 0 | 0 | 112.3 | K179 L180 L181 | K179-Q222 PolarHBondContact O-N 3.13Å; L180-Q222 WeakPolarHBondContact CA-O 3.48Å; L180-Q222 HydrophobicContact CD2-CB 3.73Å; L180-Q222 HydrophobicContact CD2-CG 4.35Å; L181-Q222 PolarHBondContact N-O 3.06Å |
| 223 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.8 | 178.2 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | L181 S183 V220 P225 T230 F231 L236 | L181-V223 HydrophobicContact CB-CG2 4.49Å; L181-V223 CarbonylContact O-C 3.55Å; L181-V223 WeakPolarHBondContact O-CA 3.33Å; S183-V223 WeakPolarHBondContact OG-CG1 3.34Å; V220-V223 HydrophobicContact CG1-CG2 4.12Å; V223-P225 WeakPolarHBondContact O-CD 3.47Å; V223-T230 VanDerWaalsContact O-CA 3.26Å; V223-T230 WeakPolarHBondContact O-CA 3.31Å; V223-T230 VanDerWaalsContact O-CB 3.29Å; V223-T230 WeakPolarHBondContact O-CB 3.47Å; V223-F231 HydrophobicContact CB-CD1 4.43Å; V223-F231 HydrophobicContact CB-CD2 3.99Å; V223-F231 HydrophobicContact CB-CE1 4.07Å; V223-F231 HydrophobicContact CB-CE2 3.63Å; V223-F231 HydrophobicContact CB-CG 4.4Å; V223-F231 HydrophobicContact CB-CZ 3.67Å; V223-F231 HydrophobicContact CG1-CE1 3.9Å; V223-F231 HydrophobicContact CG1-CE2 3.91Å; V223-F231 HydrophobicContact CG1-CZ 3.47Å; V223-F231 VanDerWaalsContact CG1-CZ 3.47Å; V223-F231 HydrophobicContact CG2-CD2 4.08Å; V223-F231 HydrophobicContact CG2-CE2 3.63Å; V223-F231 HydrophobicContact CG2-CZ 4.09Å; V223-F231 PolarHBondContact N-O 3.02Å; V223-F231 PolarHBondContact O-N 3.46Å; V223-L236 HydrophobicContact CG2-CB 4.02Å; V223-L236 HydrophobicContact CG2-CD1 4.36Å; V223-L236 HydrophobicContact CG2-CD2 3.76Å; V223-L236 HydrophobicContact CG2-CG 4.27Å |
| 224 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 87.4 | 176.1 | -62.6 | 105.7 | 0 | 0 | 0 | 108.5 | L12 L16 W33 L180 L181 F182 S183 T230 | L12-L224 HydrophobicContact CD1-CD2 4.28Å; L16-L224 HydrophobicContact CD1-CD2 4.38Å; L16-L224 HydrophobicContact CD2-CD2 3.7Å; W33-L224 HydrophobicContact CD2-CB 4.09Å; W33-L224 HydrophobicContact CD2-CD2 4.16Å; W33-L224 HydrophobicContact CE3-CB 4.46Å; W33-L224 HydrophobicContact CE3-CD2 3.73Å; W33-L224 HydrophobicContact CH2-CB 4.2Å; W33-L224 HydrophobicContact CH2-CD2 4.07Å; W33-L224 HydrophobicContact CZ2-CB 3.79Å; W33-L224 HydrophobicContact CZ2-CD2 4.45Å; W33-L224 HydrophobicContact CZ3-CD2 3.68Å; W33-L224 PolarHBondContact NE1-O 3.26Å; L180-L224 HydrophobicContact CB-CD1 3.8Å; L180-L224 HydrophobicContact CD1-CD1 4.35Å; L180-L224 HydrophobicContact CD2-CD1 4.18Å; L180-L224 HydrophobicContact CG-CD1 4.32Å; L181-L224 PolarHBondContact O-N 3.44Å; F182-L224 WeakPolarHBondContact CA-O 3.41Å; F182-L224 HydrophobicContact CD1-CB 3.59Å; F182-L224 HydrophobicContact CD1-CD1 4.28Å; F182-L224 HydrophobicContact CD1-CD2 4.43Å; F182-L224 HydrophobicContact CD1-CG 4.3Å; F182-L224 HydrophobicContact CE1-CB 3.81Å; F182-L224 HydrophobicContact CE1-CD1 3.93Å; F182-L224 HydrophobicContact CE1-CD2 3.77Å; F182-L224 HydrophobicContact CE1-CG 4.03Å; F182-L224 HydrophobicContact CE2-CD1 4.46Å; F182-L224 HydrophobicContact CG-CB 4.33Å; F182-L224 HydrophobicContact CZ-CD1 4Å; F182-L224 HydrophobicContact CZ-CD2 4.33Å; S183-L224 PolarHBondContact N-O 2.93Å; L224-T230 HydrophobicContact CD2-CG2 4.35Å; L224-T230 HydrophobicContact CG-CG2 4.25Å |
| 225 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 164.9 | -169.8 | 30.9 | -36.8 | 0 | 0 | 0 | 113.9 | N31 W33 S183 V223 H227 N229 F231 | N31-P225 WeakPolarHBondContact CB-O 3.47Å; N31-P225 PolarHBondContact ND2-O 3.32Å; W33-P225 WeakPolarHBondContact CZ2-O 3.38Å; W33-P225 PolarHBondContact NE1-O 2.94Å; S183-P225 WeakPolarHBondContact OG-CA 3.41Å; V223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 VanDerWaalsContact CB-O 3.29Å; P225-H227 WeakPolarHBondContact CB-O 3.25Å; P225-H227 WeakPolarHBondContact CG-O 3.21Å; P225-N229 WeakPolarHBondContact CG-O 3.28Å; P225-F231 HydrophobicContact CB-CE1 4.04Å; P225-F231 HydrophobicContact CG-CD1 4.34Å; P225-F231 HydrophobicContact CG-CE1 3.95Å |
| 226 | G | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -63.1 | -32.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 N31 G184 | A30-G226 CarbonylContact C-O 3.49Å; A30-G226 VanDerWaalsContact CA-O 3.26Å; A30-G226 WeakPolarHBondContact CA-O 3.48Å; N31-G226 PolarHBondContact N-O 2.79Å; G184-G226 WeakPolarHBondContact O-CA 3.46Å; G184-G226 PolarHBondContact O-N 3.14Å |
| 227 | H | 97.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -134.5 | 163 | 177.8 | -58.3 | -68.6 | 0 | 0 | 0 | 112.7 | N28 R29 D83 H84 D185 Y188 P225 | N28-H227 PolarHBondContact O-CE1 3.43Å; R29-H227 PolarHBondContact O-ND1 2.83Å; R29-H227 VanDerWaalsContact O-ND1 3.08Å; D83-H227 IonicContact OD2-CE1 3.82Å; D83-H227 PolarHBondContact OD2-CE1 2.94Å; D83-H227 IonicContact OD2-NE2 3.57Å; H84-H227 AromaticContact CE1-NE2 3.79Å; H84-H227 AromaticContact NE2-CE1 3.66Å; H84-H227 AromaticContact NE2-NE2 3.28Å; H84-H227 PolarHBondContact NE2-NE2 3.09Å; D185-H227 VanDerWaalsContact CG-CD2 3.48Å; D185-H227 IonicContact OD1-CD2 3.75Å; D185-H227 PolarHBondContact OD1-CD2 3.33Å; D185-H227 IonicContact OD1-NE2 2.78Å; D185-H227 PolarHBondContact OD1-NE2 3.42Å; D185-H227 IonicContact OD2-CD2 3.82Å; D185-H227 PolarHBondContact OD2-CD2 3.28Å; D185-H227 VanDerWaalsContact OD2-CD2 3.26Å; D185-H227 IonicContact OD2-NE2 3.18Å; D185-H227 PolarHBondContact OD2-NE2 2.79Å; Y188-H227 HydrophobicContact CG-CB 4.45Å; P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 VanDerWaalsContact CB-O 3.29Å; P225-H227 WeakPolarHBondContact CB-O 3.25Å; P225-H227 WeakPolarHBondContact CG-O 3.21Å |
| 228 | Y | 96.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 38% | 0.384 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 62.3 | -163.4 | 178.8 | -49.5 | -81.7 | 0 | 0 | 0 | 113.5 | N31 Y188 | N31-Y228 PolarHBondContact ND2-O 3.19Å; Y188-Y228 AromaticContact CD2-CD2 3.64Å; Y188-Y228 HydrophobicContact CD2-CD2 3.64Å; Y188-Y228 AromaticContact CD2-CE2 3.53Å; Y188-Y228 HydrophobicContact CD2-CE2 3.53Å; Y188-Y228 HydrophobicContact CE2-CD2 4.42Å; Y188-Y228 AromaticContact CE2-CE2 3.86Å; Y188-Y228 HydrophobicContact CE2-CE2 3.86Å; Y188-Y228 HydrophobicContact CG-CD2 4.27Å; Y188-Y228 HydrophobicContact CG-CE2 4.5Å |
| 229 | N | 96.8 | Very high | 98.2 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | trans | -82.9 | 155.6 | -176.5 | -65.5 | -45.2 | 0 | 0 | 0 | 111.9 | P225 F231 | P225-N229 WeakPolarHBondContact CG-O 3.28Å; N229-F231 WeakPolarHBondContact O-CD1 3.38Å | ||
| 230 | T | 98.1 | Very high | 98.2 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | trans | -60.3 | 147.1 | 167.6 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | W33 V223 L224 | W33-T230 HydrophobicContact CH2-CG2 3.76Å; W33-T230 HydrophobicContact CZ2-CG2 4.5Å; W33-T230 HydrophobicContact CZ3-CG2 4.44Å; V223-T230 VanDerWaalsContact O-CA 3.26Å; V223-T230 WeakPolarHBondContact O-CA 3.31Å; V223-T230 VanDerWaalsContact O-CB 3.29Å; V223-T230 WeakPolarHBondContact O-CB 3.47Å; L224-T230 HydrophobicContact CD2-CG2 4.35Å; L224-T230 HydrophobicContact CG-CG2 4.25Å | ||
| 231 | F | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.3 | 179.3 | 56.7 | -88.7 | 0 | 0 | 0 | 111.8 | V187 D189 V223 P225 N229 R235 L236 L239 | V187-F231 HydrophobicContact CG1-CZ 4.46Å; V187-F231 HydrophobicContact CG2-CZ 4.14Å; D189-F231 HydrophobicContact CB-CD1 4.13Å; D189-F231 HydrophobicContact CB-CE1 4.49Å; V223-F231 HydrophobicContact CB-CD1 4.43Å; V223-F231 HydrophobicContact CB-CD2 3.99Å; V223-F231 HydrophobicContact CB-CE1 4.07Å; V223-F231 HydrophobicContact CB-CE2 3.63Å; V223-F231 HydrophobicContact CB-CG 4.4Å; V223-F231 HydrophobicContact CB-CZ 3.67Å; V223-F231 HydrophobicContact CG1-CE1 3.9Å; V223-F231 HydrophobicContact CG1-CE2 3.91Å; V223-F231 HydrophobicContact CG1-CZ 3.47Å; V223-F231 VanDerWaalsContact CG1-CZ 3.47Å; V223-F231 HydrophobicContact CG2-CD2 4.08Å; V223-F231 HydrophobicContact CG2-CE2 3.63Å; V223-F231 HydrophobicContact CG2-CZ 4.09Å; V223-F231 PolarHBondContact N-O 3.02Å; V223-F231 PolarHBondContact O-N 3.46Å; P225-F231 HydrophobicContact CB-CE1 4.04Å; P225-F231 HydrophobicContact CG-CD1 4.34Å; P225-F231 HydrophobicContact CG-CE1 3.95Å; N229-F231 WeakPolarHBondContact O-CD1 3.38Å; F231-R235 HydrophobicContact CB-CB 4.04Å; F231-R235 HydrophobicContact CB-CG 3.97Å; F231-R235 HydrophobicContact CD2-CB 3.77Å; F231-R235 HydrophobicContact CD2-CG 3.8Å; F231-R235 HydrophobicContact CG-CB 4.22Å; F231-R235 HydrophobicContact CG-CG 3.98Å; F231-L236 HydrophobicContact CD2-CB 4.39Å; F231-L236 HydrophobicContact CE2-CB 3.88Å; F231-L236 HydrophobicContact CE2-CD1 4.37Å; F231-L239 HydrophobicContact CE2-CD1 4.08Å; F231-L239 HydrophobicContact CZ-CD1 4.14Å |
| 232 | G | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 169.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D221 K234 R235 L236 | D221-G232 CarbonylContact O-C 3.57Å; D221-G232 VanDerWaalsContact O-CA 3.26Å; D221-G232 WeakPolarHBondContact O-CA 3.18Å; G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 2.98Å; G232-K234 VanDerWaalsContact O-N 3.13Å; G232-R235 WeakPolarHBondContact O-CA 3.31Å; G232-R235 WeakPolarHBondContact O-CB 3.17Å; G232-R235 PolarHBondContact O-N 3.23Å; G232-L236 PolarHBondContact O-N 2.88Å; G232-L236 VanDerWaalsContact O-N 3.13Å |
| 233 | A | 98.3 | Very high | 98 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -48.1 | -41 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V215 V220 D221 R235 L236 H237 | V215-A233 HydrophobicContact CG1-CB 3.96Å; V215-A233 HydrophobicContact CG2-CB 4.26Å; V220-A233 WeakPolarHBondContact O-CB 3.29Å; D221-A233 PolarHBondContact O-N 3.4Å; A233-R235 VanDerWaalsContact C-N 3.29Å; A233-R235 PolarHBondContact O-N 2.77Å; A233-L236 WeakPolarHBondContact O-CB 3.37Å; A233-L236 PolarHBondContact O-N 3.02Å; A233-H237 PolarHBondContact O-N 3.45Å |
| 234 | K | 98.4 | Very high | 97.9 | Very high | 186 Ų | 186 | 47.8 Ų | 47.8 | 81% | 0.809 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.2 | -36.6 | 177.2 | -69 | -178.8 | -179.5 | 175.9 | 0 | 112.7 | G232 R238 | G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 2.98Å; G232-K234 VanDerWaalsContact O-N 3.13Å; K234-R238 WeakPolarHBondContact O-CB 3.28Å; K234-R238 PolarHBondContact O-N 3.5Å |
| 235 | R | 98.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75.1 | -40.4 | 177.2 | -178 | 60 | 172.9 | 179.6 | 4.6 | 110.3 | D189 F231 G232 A233 H237 R238 L239 | D189-R235 IonicContact OD1-CZ 2.62Å; D189-R235 IonicContact OD1-NE 3.83Å; D189-R235 PolarHBondContact OD1-NE 2.96Å; D189-R235 IonicContact OD1-NH2 2.74Å; D189-R235 PolarHBondContact OD1-NH2 3.28Å; D189-R235 IonicContact OD2-NE 3.92Å; F231-R235 HydrophobicContact CB-CB 4.04Å; F231-R235 HydrophobicContact CB-CG 3.97Å; F231-R235 HydrophobicContact CD2-CB 3.77Å; F231-R235 HydrophobicContact CD2-CG 3.8Å; F231-R235 HydrophobicContact CG-CB 4.22Å; F231-R235 HydrophobicContact CG-CG 3.98Å; G232-R235 WeakPolarHBondContact O-CA 3.31Å; G232-R235 WeakPolarHBondContact O-CB 3.17Å; G232-R235 PolarHBondContact O-N 3.23Å; A233-R235 VanDerWaalsContact C-N 3.29Å; A233-R235 PolarHBondContact O-N 2.77Å; R235-H237 PolarHBondContact O-N 2.82Å; R235-R238 PolarHBondContact O-N 3.21Å; R235-L239 HydrophobicContact CG-CD1 3.83Å; R235-L239 HydrophobicContact CG-CG 4.25Å; R235-L239 WeakPolarHBondContact O-CB 3.39Å; R235-L239 VanDerWaalsContact O-CG 3.31Å; R235-L239 WeakPolarHBondContact O-CG 3.39Å; R235-L239 PolarHBondContact O-N 3.39Å |
| 236 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.1 | -53 | 172.7 | 174.4 | 56.6 | 0 | 0 | 0 | 111.9 | L181 V187 L211 V215 V220 V223 F231 G232 A233 R238 L239 S240 | L181-L236 HydrophobicContact CD2-CD2 4.2Å; V187-L236 HydrophobicContact CB-CD1 4.2Å; V187-L236 HydrophobicContact CG1-CD1 3.48Å; V187-L236 VanDerWaalsContact CG1-CD1 3.48Å; V187-L236 HydrophobicContact CG2-CD1 3.88Å; L211-L236 HydrophobicContact CB-CD1 4.24Å; L211-L236 HydrophobicContact CD1-CD1 4.11Å; L211-L236 HydrophobicContact CD2-CD1 4.29Å; L211-L236 HydrophobicContact CG-CD1 4.46Å; V215-L236 HydrophobicContact CG2-CB 4.12Å; V215-L236 HydrophobicContact CG2-CD2 3.46Å; V215-L236 VanDerWaalsContact CG2-CD2 3.46Å; V215-L236 HydrophobicContact CG2-CG 3.77Å; V220-L236 HydrophobicContact CG1-CD2 3.99Å; V223-L236 HydrophobicContact CG2-CB 4.02Å; V223-L236 HydrophobicContact CG2-CD1 4.36Å; V223-L236 HydrophobicContact CG2-CD2 3.76Å; V223-L236 HydrophobicContact CG2-CG 4.27Å; F231-L236 HydrophobicContact CD2-CB 4.39Å; F231-L236 HydrophobicContact CE2-CB 3.88Å; F231-L236 HydrophobicContact CE2-CD1 4.37Å; G232-L236 PolarHBondContact O-N 2.88Å; G232-L236 VanDerWaalsContact O-N 3.13Å; A233-L236 WeakPolarHBondContact O-CB 3.37Å; A233-L236 PolarHBondContact O-N 3.02Å; L236-R238 PolarHBondContact O-N 2.56Å; L236-L239 PolarHBondContact O-N 3.07Å; L236-S240 WeakPolarHBondContact O-CB 3.45Å; L236-S240 PolarHBondContact O-N 3.2Å; L236-S240 PolarHBondContact O-OG 3.34Å |
| 237 | H | 98.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 178 | -176 | -49.9 | 0 | 0 | 0 | 110.9 | V215 D216 A233 R235 L239 S240 S241 | V215-H237 HydrophobicContact CB-CB 4.48Å; V215-H237 HydrophobicContact CG1-CB 4.11Å; D216-H237 IonicContact OD1-CD2 3.07Å; D216-H237 PolarHBondContact OD1-CD2 2.87Å; D216-H237 IonicContact OD1-NE2 3.26Å; A233-H237 PolarHBondContact O-N 3.45Å; R235-H237 PolarHBondContact O-N 2.82Å; H237-L239 PolarHBondContact O-N 3Å; H237-S240 PolarHBondContact O-N 3.39Å; H237-S241 PolarHBondContact CE1-OG 3.1Å; H237-S241 PolarHBondContact ND1-OG 2.92Å; H237-S241 WeakPolarHBondContact O-CB 3.16Å; H237-S241 PolarHBondContact O-N 3.12Å; H237-S241 PolarHBondContact O-OG 3.24Å |
| 238 | R | 98.4 | Very high | 95.4 | Very high | 163 Ų | 163 | 60.7 Ų | 60.7 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | -179.8 | -173.2 | -175.3 | -61.1 | 178.2 | 1.6 | 112.6 | K234 R235 L236 A242 | K234-R238 WeakPolarHBondContact O-CB 3.28Å; K234-R238 PolarHBondContact O-N 3.5Å; R235-R238 PolarHBondContact O-N 3.21Å; L236-R238 PolarHBondContact O-N 2.56Å; R238-A242 WeakPolarHBondContact O-CB 3.5Å; R238-A242 PolarHBondContact O-N 3.49Å |
| 239 | L | 98.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 179.9 | -70.9 | 168 | 0 | 0 | 0 | 110.7 | V187 Y188 F231 R235 L236 H237 A242 Y243 | V187-L239 HydrophobicContact CG2-CB 4.06Å; V187-L239 HydrophobicContact CG2-CD1 4.11Å; Y188-L239 WeakPolarHBondContact O-CD1 3.45Å; F231-L239 HydrophobicContact CE2-CD1 4.08Å; F231-L239 HydrophobicContact CZ-CD1 4.14Å; R235-L239 HydrophobicContact CG-CD1 3.83Å; R235-L239 HydrophobicContact CG-CG 4.25Å; R235-L239 WeakPolarHBondContact O-CB 3.39Å; R235-L239 VanDerWaalsContact O-CG 3.31Å; R235-L239 WeakPolarHBondContact O-CG 3.39Å; R235-L239 PolarHBondContact O-N 3.39Å; L236-L239 PolarHBondContact O-N 3.07Å; H237-L239 PolarHBondContact O-N 3Å; L239-A242 PolarHBondContact O-N 3.33Å; L239-Y243 PolarHBondContact O-N 3.13Å |
| 240 | S | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 179.5 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | L236 H237 A242 Y243 I244 | L236-S240 WeakPolarHBondContact O-CB 3.45Å; L236-S240 PolarHBondContact O-N 3.2Å; L236-S240 PolarHBondContact O-OG 3.34Å; H237-S240 PolarHBondContact O-N 3.39Å; S240-A242 VanDerWaalsContact C-N 3.33Å; S240-A242 PolarHBondContact O-N 3.28Å; S240-Y243 PolarHBondContact O-N 2.97Å; S240-I244 WeakPolarHBondContact O-CG1 3.47Å; S240-I244 PolarHBondContact O-N 3.47Å |
| 241 | S | 97.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.1 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | I212 H237 S245 | I212-S241 WeakPolarHBondContact CD1-OG 3.04Å; H237-S241 PolarHBondContact CE1-OG 3.1Å; H237-S241 PolarHBondContact ND1-OG 2.92Å; H237-S241 WeakPolarHBondContact O-CB 3.16Å; H237-S241 PolarHBondContact O-N 3.12Å; H237-S241 PolarHBondContact O-OG 3.24Å; S241-S245 WeakPolarHBondContact O-CB 3.48Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.74Å |
| 242 | A | 96.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R238 L239 S240 S245 R246 | R238-A242 WeakPolarHBondContact O-CB 3.5Å; R238-A242 PolarHBondContact O-N 3.49Å; L239-A242 PolarHBondContact O-N 3.33Å; S240-A242 VanDerWaalsContact C-N 3.33Å; S240-A242 PolarHBondContact O-N 3.28Å; A242-S245 PolarHBondContact O-N 2.62Å; A242-R246 WeakPolarHBondContact O-CB 3.42Å; A242-R246 PolarHBondContact O-N 3.22Å; A242-R246 VanDerWaalsContact O-N 3.16Å |
| 243 | Y | 96.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -53.8 | 173.5 | -177.7 | -92.8 | 0 | 0 | 0 | 110.9 | M192 D194 Y204 V205 C208 L239 S240 S245 R246 A247 | M192-Y243 HydrophobicContact CB-CD2 3.83Å; M192-Y243 HydrophobicContact CB-CE2 4.27Å; M192-Y243 HydrophobicContact CE-CD2 4.25Å; M192-Y243 HydrophobicContact CE-CG 4.06Å; M192-Y243 HydrophobicContact SD-CD2 4.21Å; M192-Y243 HydrophobicContact SD-CG 4.17Å; D194-Y243 HydrophobicContact CB-CE2 4.32Å; D194-Y243 VanDerWaalsContact CB-OH 3.31Å; D194-Y243 WeakPolarHBondContact CB-OH 3.4Å; D194-Y243 WeakPolarHBondContact OD2-CE2 3.48Å; D194-Y243 PolarHBondContact OD2-OH 3.16Å; Y204-Y243 HydrophobicContact CD1-CE1 4.18Å; Y204-Y243 HydrophobicContact CD1-CE2 4.06Å; Y204-Y243 AromaticContact CD1-CZ 3.62Å; Y204-Y243 WeakPolarHBondContact CD1-OH 3.46Å; Y204-Y243 HydrophobicContact CD2-CE1 4.17Å; Y204-Y243 HydrophobicContact CE1-CE2 4.29Å; Y204-Y243 AromaticContact CG-CE1 3.74Å; Y204-Y243 HydrophobicContact CG-CE1 3.74Å; Y204-Y243 HydrophobicContact CG-CE2 4.41Å; Y204-Y243 AromaticContact CG-CZ 3.68Å; V205-Y243 HydrophobicContact CG2-CE1 4.09Å; C208-Y243 HydrophobicContact CB-CD1 4.49Å; C208-Y243 WeakPolarHBondContact SG-CD1 3.49Å; L239-Y243 PolarHBondContact O-N 3.13Å; S240-Y243 PolarHBondContact O-N 2.97Å; Y243-S245 VanDerWaalsContact C-N 3.28Å; Y243-S245 PolarHBondContact O-N 2.81Å; Y243-R246 PolarHBondContact O-N 3.14Å; Y243-A247 HydrophobicContact CD1-CB 4.39Å; Y243-A247 HydrophobicContact CE1-CB 4.08Å; Y243-A247 VanDerWaalsContact O-CB 3.3Å; Y243-A247 WeakPolarHBondContact O-CB 3.45Å; Y243-A247 PolarHBondContact O-N 3.16Å |
| 244 | I | 96.3 | Very high | 87.7 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.5 | -45.4 | 178.4 | -65 | 165.3 | 0 | 0 | 0 | 111.2 | V205 C208 E209 I212 S240 R246 A247 | V205-I244 HydrophobicContact CG1-CG1 4.33Å; V205-I244 HydrophobicContact CG1-CG2 4.43Å; C208-I244 HydrophobicContact CB-CD1 3.71Å; C208-I244 HydrophobicContact CB-CG1 3.62Å; E209-I244 HydrophobicContact CG-CD1 3.75Å; I212-I244 HydrophobicContact CD1-CD1 3.67Å; S240-I244 WeakPolarHBondContact O-CG1 3.47Å; S240-I244 PolarHBondContact O-N 3.47Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.23Å; I244-A247 PolarHBondContact O-N 3.25Å |
| 245 | S | 94.4 | Very high | 86.5 | Confident | 92 Ų | 92 | 65 Ų | 65 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.8 | -29.4 | -178.2 | -56 | 0 | 0 | 0 | 0 | 113.3 | S241 A242 Y243 | S241-S245 WeakPolarHBondContact O-CB 3.48Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.74Å; A242-S245 PolarHBondContact O-N 2.62Å; Y243-S245 VanDerWaalsContact C-N 3.28Å; Y243-S245 PolarHBondContact O-N 2.81Å |
| 246 | R | 91.5 | Very high | 85.5 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -89.1 | -33.3 | 178.3 | -170 | -179.9 | 72.5 | -170.1 | 2.2 | 111.8 | A242 Y243 I244 G248 T249 A252 | A242-R246 WeakPolarHBondContact O-CB 3.42Å; A242-R246 PolarHBondContact O-N 3.22Å; A242-R246 VanDerWaalsContact O-N 3.16Å; Y243-R246 PolarHBondContact O-N 3.14Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.23Å; R246-G248 PolarHBondContact O-N 3.38Å; R246-T249 WeakPolarHBondContact O-CG2 3.22Å; R246-T249 PolarHBondContact O-N 2.65Å; R246-T249 PolarHBondContact O-OG1 3.08Å; R246-A252 HydrophobicContact CG-CB 4.32Å; R246-A252 WeakPolarHBondContact O-CB 3.31Å |
| 247 | A | 86.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 132.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V201 V205 Y243 I244 T249 | V201-A247 HydrophobicContact CG1-CB 4.05Å; V205-A247 HydrophobicContact CG2-CB 3.44Å; V205-A247 VanDerWaalsContact CG2-CB 3.44Å; Y243-A247 HydrophobicContact CD1-CB 4.39Å; Y243-A247 HydrophobicContact CE1-CB 4.08Å; Y243-A247 VanDerWaalsContact O-CB 3.3Å; Y243-A247 WeakPolarHBondContact O-CB 3.45Å; Y243-A247 PolarHBondContact O-N 3.16Å; I244-A247 PolarHBondContact O-N 3.25Å; A247-T249 VanDerWaalsContact C-N 3.34Å; A247-T249 PolarHBondContact O-N 3.35Å |
| 248 | G | 68.6 | Low | 83.6 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -7.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R246 K253 | R246-G248 PolarHBondContact O-N 3.38Å; G248-K253 WeakPolarHBondContact O-CE 3.42Å |
| 249 | T | 77.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | trans | -65.9 | 143.3 | 170.7 | 62.6 | 0 | 0 | 0 | 0 | 111 | R246 A247 A252 K253 | R246-T249 WeakPolarHBondContact O-CG2 3.22Å; R246-T249 PolarHBondContact O-N 2.65Å; R246-T249 PolarHBondContact O-OG1 3.08Å; A247-T249 VanDerWaalsContact C-N 3.34Å; A247-T249 PolarHBondContact O-N 3.35Å; T249-A252 PolarHBondContact O-N 3.25Å; T249-A252 VanDerWaalsContact O-N 3.1Å; T249-A252 WeakPolarHBondContact OG1-CB 3.16Å; T249-A252 PolarHBondContact OG1-N 2.91Å; T249-K253 WeakPolarHBondContact O-CG 3.48Å; T249-K253 PolarHBondContact O-N 2.94Å | ||
| 250 | C | 65.7 | Low | 82 | Confident | 106 Ų | 106 | 69 Ų | 69 | 72% | 0.716 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55 | -43.8 | -179 | -170 | 0 | 0 | 0 | 0 | 113 | A252 K253 F254 | C250-A252 PolarHBondContact O-N 3.26Å; C250-K253 PolarHBondContact O-N 3.08Å; C250-F254 PolarHBondContact O-N 3.33Å |
| 251 | P | 69.2 | Low | 81.2 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63 | -39.9 | 175.1 | -22.6 | 35.1 | 0 | 0 | 0 | 113.3 | S255 | P251-S255 VanDerWaalsContact O-CB 3.31Å; P251-S255 WeakPolarHBondContact O-CB 3.18Å; P251-S255 PolarHBondContact O-N 3.3Å |
| 252 | A | 70.5 | Confident | 80.5 | Confident | 19 Ų | 19 | 75.5 Ų | 75.5 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R246 T249 C250 F254 S255 T256 | R246-A252 HydrophobicContact CG-CB 4.32Å; R246-A252 WeakPolarHBondContact O-CB 3.31Å; T249-A252 PolarHBondContact O-N 3.25Å; T249-A252 VanDerWaalsContact O-N 3.1Å; T249-A252 WeakPolarHBondContact OG1-CB 3.16Å; T249-A252 PolarHBondContact OG1-N 2.91Å; C250-A252 PolarHBondContact O-N 3.26Å; A252-F254 VanDerWaalsContact C-N 3.31Å; A252-F254 PolarHBondContact O-N 2.78Å; A252-S255 PolarHBondContact O-N 3.07Å; A252-T256 WeakPolarHBondContact O-CB 3.23Å; A252-T256 PolarHBondContact O-N 2.7Å; A252-T256 PolarHBondContact O-OG1 3.48Å; A252-T256 VanDerWaalsContact O-OG1 3.08Å |
| 253 | K | 72.4 | Confident | 79.7 | Confident | 137 Ų | 137 | 73.1 Ų | 73.1 | 60% | 0.596 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.1 | -44.2 | 177.3 | -71.5 | -176.4 | -179.5 | 178.2 | 0 | 112.1 | G248 T249 C250 L257 | G248-K253 WeakPolarHBondContact O-CE 3.42Å; T249-K253 WeakPolarHBondContact O-CG 3.48Å; T249-K253 PolarHBondContact O-N 2.94Å; C250-K253 PolarHBondContact O-N 3.08Å; K253-L257 WeakPolarHBondContact O-CB 3.36Å; K253-L257 PolarHBondContact O-N 2.97Å |
| 254 | F | 68.4 | Low | 78.9 | Confident | 144 Ų | 144 | 73.5 Ų | 73.5 | 63% | 0.632 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.5 | -46.6 | 177.6 | -174.7 | -97.7 | 0 | 0 | 0 | 111.6 | C250 A252 L257 V258 | C250-F254 PolarHBondContact O-N 3.33Å; A252-F254 VanDerWaalsContact C-N 3.31Å; A252-F254 PolarHBondContact O-N 2.78Å; F254-L257 PolarHBondContact O-N 3.4Å; F254-V258 HydrophobicContact CD1-CG2 4.15Å; F254-V258 HydrophobicContact CE1-CG2 3.78Å; F254-V258 HydrophobicContact CE2-CG2 4.46Å; F254-V258 HydrophobicContact CZ-CG2 3.95Å; F254-V258 WeakPolarHBondContact O-CG2 3.39Å; F254-V258 PolarHBondContact O-N 3.26Å |
| 255 | S | 73.9 | Confident | 78.2 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58 | -52 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | P251 A252 L257 V258 W259 | P251-S255 VanDerWaalsContact O-CB 3.31Å; P251-S255 WeakPolarHBondContact O-CB 3.18Å; P251-S255 PolarHBondContact O-N 3.3Å; A252-S255 PolarHBondContact O-N 3.07Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.16Å; S255-V258 PolarHBondContact O-N 3.28Å; S255-W259 PolarHBondContact O-N 3.3Å |
| 256 | T | 78 | Confident | 77.6 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 14% | 0.135 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | D194 W195 V201 A252 R260 | D194-T256 PolarHBondContact OD1-OG1 3.33Å; W195-T256 HydrophobicContact CB-CG2 3.95Å; V201-T256 HydrophobicContact CG2-CG2 4.26Å; A252-T256 WeakPolarHBondContact O-CB 3.23Å; A252-T256 PolarHBondContact O-N 2.7Å; A252-T256 PolarHBondContact O-OG1 3.48Å; A252-T256 VanDerWaalsContact O-OG1 3.08Å; T256-R260 WeakPolarHBondContact O-CB 3.37Å; T256-R260 PolarHBondContact O-N 3.1Å |
| 257 | L | 75.5 | Confident | 77.3 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 48% | 0.482 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.7 | -177.7 | 63.6 | 0 | 0 | 0 | 112.6 | K253 F254 S255 T261 | K253-L257 WeakPolarHBondContact O-CB 3.36Å; K253-L257 PolarHBondContact O-N 2.97Å; F254-L257 PolarHBondContact O-N 3.4Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.16Å; L257-T261 WeakPolarHBondContact O-CB 3.21Å; L257-T261 PolarHBondContact O-N 3.49Å; L257-T261 PolarHBondContact O-OG1 2.93Å |
| 258 | V | 80.8 | Confident | 77.1 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 34% | 0.339 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 177 | 170 | 0 | 0 | 0 | 0 | 110 | F254 S255 R260 T261 L262 | F254-V258 HydrophobicContact CD1-CG2 4.15Å; F254-V258 HydrophobicContact CE1-CG2 3.78Å; F254-V258 HydrophobicContact CE2-CG2 4.46Å; F254-V258 HydrophobicContact CZ-CG2 3.95Å; F254-V258 WeakPolarHBondContact O-CG2 3.39Å; F254-V258 PolarHBondContact O-N 3.26Å; S255-V258 PolarHBondContact O-N 3.28Å; V258-R260 PolarHBondContact O-N 3.44Å; V258-T261 PolarHBondContact O-N 3.03Å; V258-L262 HydrophobicContact CG1-CD1 3.77Å; V258-L262 HydrophobicContact CG1-CG 4.39Å; V258-L262 WeakPolarHBondContact O-CG 3.19Å; V258-L262 PolarHBondContact O-N 3.35Å |
| 259 | W | 81.9 | Confident | 77.6 | Confident | 131 Ų | 131 | 80.7 Ų | 80.7 | 50% | 0.496 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 178.6 | -78.2 | 112.5 | 0 | 0 | 0 | 112.6 | W195 S255 T261 L262 S263 | W195-W259 HydrophobicContact CB-CB 3.86Å; W195-W259 HydrophobicContact CD2-CB 3.79Å; W195-W259 HydrophobicContact CD2-CG 4.47Å; W195-W259 HydrophobicContact CE3-CB 4.07Å; W195-W259 HydrophobicContact CG-CB 3.7Å; W195-W259 HydrophobicContact CG-CG 4.49Å; S255-W259 PolarHBondContact O-N 3.3Å; W259-T261 VanDerWaalsContact C-N 3.26Å; W259-T261 PolarHBondContact O-N 2.77Å; W259-L262 PolarHBondContact O-N 3.06Å; W259-S263 WeakPolarHBondContact O-CB 3.5Å; W259-S263 PolarHBondContact O-N 2.81Å; W259-S263 PolarHBondContact O-OG 2.93Å |
| 260 | R | 82.5 | Confident | 77.6 | Confident | 116 Ų | 116 | 81 Ų | 81 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 176.5 | -167.6 | 172.4 | 76.9 | 176.2 | 4.9 | 112.4 | W195 T256 V258 S263 G264 | W195-R260 HydrophobicContact CB-CB 4.43Å; W195-R260 VanDerWaalsContact O-CA 3.23Å; W195-R260 WeakPolarHBondContact O-CA 3.44Å; W195-R260 WeakPolarHBondContact O-CB 3.3Å; W195-R260 WeakPolarHBondContact O-CG 3.49Å; T256-R260 WeakPolarHBondContact O-CB 3.37Å; T256-R260 PolarHBondContact O-N 3.1Å; V258-R260 PolarHBondContact O-N 3.44Å; R260-S263 VanDerWaalsContact CA-OG 3.31Å; R260-S263 WeakPolarHBondContact CA-OG 3.49Å; R260-S263 PolarHBondContact O-OG 3.35Å; R260-S263 VanDerWaalsContact O-OG 3.08Å; R260-G264 PolarHBondContact O-N 3.22Å; R260-G264 VanDerWaalsContact O-N 3.14Å |
| 261 | T | 80.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -56.2 | 175 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | L257 V258 W259 S263 G264 W265 | L257-T261 WeakPolarHBondContact O-CB 3.21Å; L257-T261 PolarHBondContact O-N 3.49Å; L257-T261 PolarHBondContact O-OG1 2.93Å; V258-T261 PolarHBondContact O-N 3.03Å; W259-T261 VanDerWaalsContact C-N 3.26Å; W259-T261 PolarHBondContact O-N 2.77Å; T261-S263 PolarHBondContact O-N 3.39Å; T261-G264 PolarHBondContact O-N 3.04Å; T261-W265 VanDerWaalsContact O-CD1 3.23Å; T261-W265 PolarHBondContact O-N 3.48Å |
| 262 | L | 82.4 | Confident | 78 | Confident | 100 Ų | 100 | 76.7 Ų | 76.7 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | -177.2 | -68.6 | 173.5 | 0 | 0 | 0 | 112.6 | V258 W259 W265 A266 | V258-L262 HydrophobicContact CG1-CD1 3.77Å; V258-L262 HydrophobicContact CG1-CG 4.39Å; V258-L262 WeakPolarHBondContact O-CG 3.19Å; V258-L262 PolarHBondContact O-N 3.35Å; W259-L262 PolarHBondContact O-N 3.06Å; L262-W265 PolarHBondContact O-N 2.83Å; L262-A266 WeakPolarHBondContact O-CB 3.24Å; L262-A266 PolarHBondContact O-N 2.88Å |
| 263 | S | 81.3 | Confident | 77.4 | Confident | 6 Ų | 6 | 85.3 Ų | 85.3 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | W115 W259 R260 T261 W265 A266 L267 | W115-S263 WeakPolarHBondContact CZ2-O 3.49Å; W259-S263 WeakPolarHBondContact O-CB 3.5Å; W259-S263 PolarHBondContact O-N 2.81Å; W259-S263 PolarHBondContact O-OG 2.93Å; R260-S263 VanDerWaalsContact CA-OG 3.31Å; R260-S263 WeakPolarHBondContact CA-OG 3.49Å; R260-S263 PolarHBondContact O-OG 3.35Å; R260-S263 VanDerWaalsContact O-OG 3.08Å; T261-S263 PolarHBondContact O-N 3.39Å; S263-W265 VanDerWaalsContact C-N 3.31Å; S263-W265 PolarHBondContact O-N 2.79Å; S263-A266 PolarHBondContact O-N 3.34Å; S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.32Å |
| 264 | G | 79.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 83.8 Ų | 83.8 | 13% | 0.134 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R260 T261 R268 | R260-G264 PolarHBondContact O-N 3.22Å; R260-G264 VanDerWaalsContact O-N 3.14Å; T261-G264 PolarHBondContact O-N 3.04Å; G264-R268 WeakPolarHBondContact O-CB 3.43Å; G264-R268 WeakPolarHBondContact O-CD 3.38Å; G264-R268 VanDerWaalsContact O-CG 3.22Å; G264-R268 WeakPolarHBondContact O-CG 3.49Å; G264-R268 PolarHBondContact O-N 3.18Å; G264-R268 VanDerWaalsContact O-N 3.13Å |
| 265 | W | 81.5 | Confident | 74.4 | Confident | 194 Ų | 194 | 81.7 Ų | 81.7 | 74% | 0.735 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -47.1 | 174.1 | -82.7 | 89.3 | 0 | 0 | 0 | 111.9 | T261 L262 S263 R268 A269 | T261-W265 VanDerWaalsContact O-CD1 3.23Å; T261-W265 PolarHBondContact O-N 3.48Å; L262-W265 PolarHBondContact O-N 2.83Å; S263-W265 VanDerWaalsContact C-N 3.31Å; S263-W265 PolarHBondContact O-N 2.79Å; W265-R268 PolarHBondContact O-N 2.99Å; W265-A269 WeakPolarHBondContact O-CB 3.39Å; W265-A269 PolarHBondContact O-N 3.07Å |
| 266 | A | 81.6 | Confident | 72.5 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W115 L262 S263 R268 A269 S270 | W115-A266 HydrophobicContact CZ2-CB 4.02Å; L262-A266 WeakPolarHBondContact O-CB 3.24Å; L262-A266 PolarHBondContact O-N 2.88Å; S263-A266 PolarHBondContact O-N 3.34Å; A266-R268 PolarHBondContact O-N 3.3Å; A266-A269 PolarHBondContact O-N 2.83Å; A266-S270 PolarHBondContact O-N 3.2Å; A266-S270 PolarHBondContact O-OG 3.34Å; A266-S270 VanDerWaalsContact O-OG 3.1Å |
| 267 | L | 84.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.4 | -81.7 | 165 | 0 | 0 | 0 | 112.2 | F110 V113 W115 P197 S263 A269 S270 N271 | F110-L267 HydrophobicContact CD2-CB 3.77Å; F110-L267 HydrophobicContact CD2-CD1 4.3Å; F110-L267 HydrophobicContact CE2-CB 3.97Å; F110-L267 HydrophobicContact CE2-CD1 4.21Å; V113-L267 HydrophobicContact CG1-CD1 4.39Å; V113-L267 HydrophobicContact CG1-CD2 4.27Å; W115-L267 HydrophobicContact CD2-CD2 3.71Å; W115-L267 HydrophobicContact CD2-CG 4.17Å; W115-L267 HydrophobicContact CE3-CD2 4.45Å; W115-L267 HydrophobicContact CG-CD2 3.96Å; W115-L267 HydrophobicContact CH2-CD1 4.32Å; W115-L267 HydrophobicContact CH2-CG 4.11Å; W115-L267 HydrophobicContact CZ2-CB 4.35Å; W115-L267 HydrophobicContact CZ2-CD1 4.06Å; W115-L267 HydrophobicContact CZ2-CD2 3.9Å; W115-L267 HydrophobicContact CZ2-CG 3.38Å; P197-L267 HydrophobicContact CG-CD1 3.37Å; S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.32Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 2.96Å; L267-S270 WeakPolarHBondContact CA-OG 3.31Å; L267-S270 PolarHBondContact O-N 3.07Å; L267-S270 PolarHBondContact O-OG 3.42Å; L267-S270 VanDerWaalsContact O-OG 3.12Å; L267-N271 WeakPolarHBondContact O-CA 3.35Å; L267-N271 VanDerWaalsContact O-CB 3.24Å; L267-N271 WeakPolarHBondContact O-CB 3.13Å; L267-N271 PolarHBondContact O-N 2.91Å; L267-N271 PolarHBondContact O-ND2 3.1Å |
| 268 | R | 82.8 | Confident | 72.1 | Confident | 150 Ų | 150 | 92.2 Ų | 92.2 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -35.5 | 179.2 | -73.1 | 171.8 | -172.5 | -95.1 | -1.8 | 111.9 | F110 G264 W265 A266 N271 | F110-R268 HydrophobicContact CD2-CG 4.07Å; F110-R268 HydrophobicContact CE2-CG 3.99Å; G264-R268 WeakPolarHBondContact O-CB 3.43Å; G264-R268 WeakPolarHBondContact O-CD 3.38Å; G264-R268 VanDerWaalsContact O-CG 3.22Å; G264-R268 WeakPolarHBondContact O-CG 3.49Å; G264-R268 PolarHBondContact O-N 3.18Å; G264-R268 VanDerWaalsContact O-N 3.13Å; W265-R268 PolarHBondContact O-N 2.99Å; A266-R268 PolarHBondContact O-N 3.3Å; R268-N271 CarbonylContact O-C 3.45Å |
| 269 | A | 80 | Confident | 71.6 | Confident | 83 Ų | 83 | 94.2 Ų | 94.2 | 69% | 0.686 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.5 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W265 A266 L267 | W265-A269 WeakPolarHBondContact O-CB 3.39Å; W265-A269 PolarHBondContact O-N 3.07Å; A266-A269 PolarHBondContact O-N 2.83Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 2.96Å |
| 270 | S | 76.9 | Confident | 71 | Confident | 62 Ų | 62 | 92 Ų | 92 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.2 | -26.6 | 177.7 | 61 | 0 | 0 | 0 | 0 | 113.4 | A266 L267 P272 | A266-S270 PolarHBondContact O-N 3.2Å; A266-S270 PolarHBondContact O-OG 3.34Å; A266-S270 VanDerWaalsContact O-OG 3.1Å; L267-S270 WeakPolarHBondContact CA-OG 3.31Å; L267-S270 PolarHBondContact O-N 3.07Å; L267-S270 PolarHBondContact O-OG 3.42Å; L267-S270 VanDerWaalsContact O-OG 3.12Å; S270-P272 VanDerWaalsContact C-CD 3.43Å; S270-P272 WeakPolarHBondContact O-CD 3.39Å |
| 271 | N | 76.6 | Confident | 70.3 | Confident | 25 Ų | 25 | 90.5 Ų | 90.5 | 13% | 0.134 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -123.6 | 66.8 | -177.4 | -59.3 | -71.4 | 0 | 0 | 0 | 110.9 | N109 T114 L267 R268 R273 | N109-N271 HydrophobicContact CB-CB 4.04Å; N109-N271 WeakPolarHBondContact CB-OD1 3.47Å; T114-N271 PolarHBondContact O-ND2 3.46Å; L267-N271 WeakPolarHBondContact O-CA 3.35Å; L267-N271 VanDerWaalsContact O-CB 3.24Å; L267-N271 WeakPolarHBondContact O-CB 3.13Å; L267-N271 PolarHBondContact O-N 2.91Å; L267-N271 PolarHBondContact O-ND2 3.1Å; R268-N271 CarbonylContact O-C 3.45Å; N271-R273 PolarHBondContact O-N 3.47Å |
| 272 | P | 65.6 | Low | 69.6 | Low | 91 Ų | 91 | 91.9 Ų | 91.9 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 129.3 | 177 | 25.5 | -32.5 | 0 | 0 | 0 | 109.3 | S270 C274 | S270-P272 VanDerWaalsContact C-CD 3.43Å; S270-P272 WeakPolarHBondContact O-CD 3.39Å; P272-C274 PolarHBondContact O-N 2.86Å |
| 273 | R | 58 | Low | 68.7 | Low | 200 Ų | 200 | 91.3 Ų | 91.3 | 76% | 0.755 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 129.9 | 167.9 | -69.4 | -175.9 | 176.3 | -171 | -4.9 | 107 | N271 A275 | N271-R273 PolarHBondContact O-N 3.47Å; R273-A275 PolarHBondContact O-N 3.23Å; R273-A275 VanDerWaalsContact O-N 3.1Å |
| 274 | C | 44.6 | Very low | 67.7 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 70% | 0.703 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 123.3 | 165.5 | -74.6 | 0 | 0 | 0 | 0 | 106.6 | P272 C276 | P272-C274 PolarHBondContact O-N 2.86Å; C274-C276 PolarHBondContact O-N 3.41Å; C274-C276 VanDerWaalsContact O-N 3.08Å |
| 275 | A | 34.4 | Very low | 66.8 | Low | 100 Ų | 100 | 104.9 Ų | 104.9 | 83% | 0.826 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 117.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | R273 | R273-A275 PolarHBondContact O-N 3.23Å; R273-A275 VanDerWaalsContact O-N 3.1Å |
| 276 | C | 34.1 | Very low | 65.4 | Low | 202 Ų | 202 | 96.8 Ų | 96.8 | 100% | 1.365 | 59% | 0.587 | S | S | * | * | trans | -60.6 | 0 | 169.8 | -63 | 0 | 0 | 0 | 0 | 110.2 | C274 | C274-C276 PolarHBondContact O-N 3.41Å; C274-C276 VanDerWaalsContact O-N 3.08Å |
Retrieved 276 of 276 residues in 713.2 ms
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