| 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 | 39.5 | Very low | 69.1 | Low | 237 Ų | 237 | 89.5 Ų | 89.5 | 100% | 1.167 | 46% | 0.461 | S | S | * | . | 0 | 140.8 | 0 | -73.1 | 165 | 167.7 | 0 | 0 | 107.5 | |||||
| 2 | V | 53.7 | Low | 70.9 | Confident | 133 Ų | 133 | 82 Ų | 82 | 81% | 0.806 | 42% | 0.422 | S | S | * | . | trans | -86.9 | 113.2 | 170.9 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | A4 | V2-A4 PolarHBondContact O-N 3.27Š| ||
| 3 | E | 47.2 | Very low | 72.5 | Confident | 172 Ų | 172 | 76.2 Ų | 76.2 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | trans | -67.6 | 114.1 | 178.2 | -88.6 | 170.3 | 74.8 | 0 | 0 | 111 | D5 | E3-D5 VanDerWaalsContact C-N 3.28Å; E3-D5 PolarHBondContact O-N 2.89Å | ||
| 4 | A | 58.6 | Low | 73.7 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | trans | -73.6 | 86.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | V2 R6 Q83 | V2-A4 PolarHBondContact O-N 3.27Å; A4-R6 PolarHBondContact O-N 2.8Å; A4-Q83 HydrophobicContact CB-CB 4.24Å | ||
| 5 | D | 61.2 | Low | 74.7 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -50.2 | -22.9 | -178.1 | -176.9 | -109.3 | 0 | 0 | 0 | 114.3 | E3 K86 | E3-D5 VanDerWaalsContact C-N 3.28Å; E3-D5 PolarHBondContact O-N 2.89Å; D5-K86 VanDerWaalsContact CB-CE 3.48Å; D5-K86 HydrophobicContact CB-CG 4.19Å; D5-K86 WeakPolarHBondContact OD1-CE 3.36Å; D5-K86 IonicContact OD1-NZ 3.82Å; D5-K86 WeakPolarHBondContact OD2-CE 3.09Å; D5-K86 IonicContact OD2-NZ 2.6Å; D5-K86 PolarHBondContact OD2-NZ 3.22Å |
| 6 | R | 68.2 | Low | 75.4 | Confident | 156 Ų | 156 | 65.7 Ų | 65.7 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | trans | -137.2 | 90.8 | 174.6 | -62.7 | -176.6 | -169.7 | 166.4 | 0.6 | 110.1 | A4 G8 K9 | A4-R6 PolarHBondContact O-N 2.8Å; R6-G8 PolarHBondContact O-N 2.99Å; R6-G8 VanDerWaalsContact O-N 3.08Å; R6-K9 HydrophobicContact CB-CB 4.19Å; R6-K9 PolarHBondContact O-N 3.23Å | ||
| 7 | P | 75.2 | Confident | 75.9 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.5 | -174.1 | 28.3 | -36.2 | 0 | 0 | 0 | 114 | P59 Q83 | P7-P59 HydrophobicContact CB-CB 3.71Å; P7-P59 HydrophobicContact CG-CB 3.88Å; P7-Q83 PolarHBondContact O-OE1 2.99Å |
| 8 | G | 82.8 | Confident | 76.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | R6 F56 | R6-G8 PolarHBondContact O-N 2.99Å; R6-G8 VanDerWaalsContact O-N 3.08Å; G8-F56 PolarHBondContact O-N 3.39Å |
| 9 | K | 90.5 | Very high | 76.6 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 13% | 0.13 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.9 | -176 | -163.8 | 162.6 | -170.3 | 139 | 0 | 111.6 | R6 E36 V54 T55 A84 | R6-K9 HydrophobicContact CB-CB 4.19Å; R6-K9 PolarHBondContact O-N 3.23Å; K9-E36 IonicContact NZ-OE2 2.66Å; K9-E36 PolarHBondContact NZ-OE2 2.82Å; K9-V54 CarbonylContact C-O 3.53Å; K9-V54 WeakPolarHBondContact CA-O 3.36Å; K9-T55 WeakPolarHBondContact CE-OG1 3Å; K9-T55 PolarHBondContact NZ-OG1 3.01Å; K9-A84 HydrophobicContact CB-CB 3.93Å; K9-A84 HydrophobicContact CD-CB 4.49Å; K9-A84 HydrophobicContact CG-CB 3.75Å; K9-A84 WeakPolarHBondContact O-CB 3.33Å; K9-A84 PolarHBondContact O-N 2.87Å |
| 10 | L | 91.4 | Very high | 77.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 144.6 | 176.3 | -58.8 | -172.6 | 0 | 0 | 0 | 111.4 | F28 F53 V54 F56 A62 A65 A66 V81 E82 Q83 | L10-F28 HydrophobicContact CD1-CE1 4.43Å; L10-F53 CarbonylContact O-C 3.59Å; L10-F53 WeakPolarHBondContact O-CA 3.46Å; L10-V54 PolarHBondContact N-O 2.81Å; L10-V54 PolarHBondContact O-N 3.43Å; L10-F56 HydrophobicContact CD1-CD2 4.3Å; L10-F56 HydrophobicContact CD1-CE2 3.69Å; L10-F56 HydrophobicContact CG-CD2 4.39Å; L10-F56 HydrophobicContact CG-CE2 4.23Å; L10-A62 HydrophobicContact CD1-CB 4.47Å; L10-A62 WeakPolarHBondContact CD1-O 3.47Å; L10-A62 HydrophobicContact CD2-CB 4Å; L10-A62 WeakPolarHBondContact CD2-O 3.35Å; L10-A62 HydrophobicContact CG-CB 4.11Å; L10-A65 HydrophobicContact CD1-CB 4.04Å; L10-A66 HydrophobicContact CD1-CB 4.18Å; L10-A66 HydrophobicContact CD2-CB 3.89Å; L10-V81 HydrophobicContact CB-CG1 4.27Å; L10-V81 HydrophobicContact CD1-CG1 3.77Å; L10-V81 HydrophobicContact CG-CG1 4.49Å; L10-E82 CarbonylContact C-O 3.47Å; L10-E82 WeakPolarHBondContact CA-O 2.85Å; L10-Q83 VanDerWaalsContact CD2-NE2 3.31Å |
| 11 | F | 91.5 | Very high | 77.7 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.9 | 163 | 169.7 | -96.5 | 0 | 0 | 0 | 108.8 | F51 F53 V81 E82 A84 | F11-F51 HydrophobicContact CD2-CD2 4.38Å; F11-F51 HydrophobicContact CE2-CB 3.68Å; F11-F51 AromaticContact CE2-CD2 3.67Å; F11-F51 HydrophobicContact CE2-CD2 3.67Å; F11-F51 AromaticContact CE2-CG 3.89Å; F11-F51 HydrophobicContact CE2-CG 3.89Å; F11-F51 HydrophobicContact CZ-CB 3.9Å; F11-F51 HydrophobicContact CZ-CG 4.4Å; F11-F53 HydrophobicContact CB-CD1 4.15Å; F11-F53 HydrophobicContact CB-CE1 4.02Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.68Å; F11-F53 HydrophobicContact CD2-CE1 3.68Å; F11-F53 AromaticContact CD2-CZ 3.87Å; F11-F53 HydrophobicContact CD2-CZ 3.87Å; F11-F53 HydrophobicContact CG-CE1 4.34Å; F11-V81 WeakPolarHBondContact O-CA 3.44Å; F11-E82 PolarHBondContact N-O 2.97Å; F11-E82 PolarHBondContact O-N 3.42Å; F11-A84 HydrophobicContact CB-CB 4.43Å |
| 12 | I | 90.9 | Very high | 80 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 106.2 | 179.1 | -55.8 | 152.8 | 0 | 0 | 0 | 107.2 | L15 L24 F28 F51 A52 V54 I79 K80 V81 | I12-L15 HydrophobicContact CG2-CD1 4.21Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4.01Å; I12-L24 HydrophobicContact CD1-CD2 4.48Å; I12-F28 HydrophobicContact CD1-CD1 4.46Å; I12-F28 HydrophobicContact CD1-CD2 3.92Å; I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 3.42Å; I12-F28 VanDerWaalsContact CD1-CE2 3.42Å; I12-F28 HydrophobicContact CD1-CG 4.43Å; I12-F28 HydrophobicContact CD1-CZ 3.49Å; I12-F28 VanDerWaalsContact CD1-CZ 3.49Å; I12-F28 HydrophobicContact CG1-CE1 4.21Å; I12-F28 HydrophobicContact CG1-CE2 4.06Å; I12-F28 HydrophobicContact CG1-CZ 3.65Å; I12-F28 HydrophobicContact CG2-CE2 4.32Å; I12-F28 HydrophobicContact CG2-CZ 4.17Å; I12-F51 CarbonylContact O-C 3.55Å; I12-F51 WeakPolarHBondContact O-CA 3.42Å; I12-F51 WeakPolarHBondContact O-CB 3.23Å; I12-A52 PolarHBondContact N-O 2.83Å; I12-A52 PolarHBondContact O-N 3.29Å; I12-V54 HydrophobicContact CD1-CB 3.99Å; I12-V54 HydrophobicContact CD1-CG2 3.4Å; I12-V54 VanDerWaalsContact CD1-CG2 3.4Å; I12-I79 HydrophobicContact CG2-CB 4.4Å; I12-I79 HydrophobicContact CG2-CD1 4.08Å; I12-K80 CarbonylContact C-O 3.47Å; I12-K80 WeakPolarHBondContact CA-O 2.95Å; I12-V81 HydrophobicContact CG1-CG1 4.26Å; I12-V81 HydrophobicContact CG1-CG2 4.37Å; I12-V81 HydrophobicContact CG2-CG2 4.36Å |
| 13 | G | 91.9 | Very high | 81.7 | Confident | 7 Ų | 7 | 61 Ų | 61 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 166.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G50 I79 K80 | G13-G50 CarbonylContact C-O 3.59Å; G13-I79 CarbonylContact O-C 3.51Å; G13-I79 VanDerWaalsContact O-CA 3.24Å; G13-I79 WeakPolarHBondContact O-CA 3.28Å; G13-K80 PolarHBondContact N-O 2.79Å; G13-K80 PolarHBondContact O-N 3.14Å |
| 14 | G | 89.1 | Confident | 83.7 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 82.2 | 9.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | G50 K77 | G14-G50 PolarHBondContact N-O 3.14Å; G14-K77 WeakPolarHBondContact O-CB 3.31Å |
| 15 | L | 89 | Confident | 85.3 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | trans | -63.3 | 150.2 | 179.1 | -62.6 | 178.2 | 0 | 0 | 0 | 112.2 | I12 T19 L24 L39 G50 A52 L74 I79 | I12-L15 HydrophobicContact CG2-CD1 4.21Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4.01Å; L15-T19 HydrophobicContact CD2-CG2 4.3Å; L15-L24 HydrophobicContact CD1-CD1 3.97Å; L15-L24 HydrophobicContact CD1-CD2 3.87Å; L15-L24 HydrophobicContact CD1-CG 4.48Å; L15-L24 HydrophobicContact CD2-CD2 3.74Å; L15-L24 HydrophobicContact CG-CD2 4.48Å; L15-L39 HydrophobicContact CD1-CD1 4.1Å; L15-G50 PolarHBondContact N-O 3.47Å; L15-G50 WeakPolarHBondContact O-CA 3.36Å; L15-A52 HydrophobicContact CD1-CB 3.59Å; L15-L74 HydrophobicContact CD2-CD1 4.32Å; L15-I79 HydrophobicContact CD2-CB 4.5Å; L15-I79 HydrophobicContact CD2-CG2 3.79Å | ||
| 16 | N | 86 | Confident | 86.7 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | trans | -71.9 | 156.6 | 171.1 | -165.2 | 22.4 | 0 | 0 | 0 | 111.1 | E18 T19 D75 K77 | N16-E18 PolarHBondContact ND2-OE2 2.69Å; N16-E18 PolarHBondContact O-N 2.81Å; N16-T19 WeakPolarHBondContact CB-OG1 3.14Å; N16-T19 PolarHBondContact N-OG1 2.85Å; N16-T19 WeakPolarHBondContact O-CB 3.5Å; N16-T19 PolarHBondContact O-N 3.08Å; N16-T19 PolarHBondContact O-OG1 2.7Å; N16-D75 HydrophobicContact CB-CB 3.9Å; N16-D75 VanDerWaalsContact CB-OD1 3.28Å; N16-D75 WeakPolarHBondContact CB-OD1 3.47Å; N16-D75 PolarHBondContact ND2-OD1 3.24Å; N16-K77 HydrophobicContact CB-CD 3.96Å; N16-K77 WeakPolarHBondContact OD1-CE 3.48Å; N16-K77 PolarHBondContact OD1-NZ 2.93Å | ||
| 17 | T | 84 | Confident | 87.7 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.4 | 175.2 | 40.8 | 0 | 0 | 0 | 0 | 112.6 | K47 S48 | T17-K47 HydrophobicContact CG2-CB 4.16Å; T17-S48 PolarHBondContact O-OG 2.98Å |
| 18 | E | 83.2 | Confident | 88.4 | Confident | 138 Ų | 138 | 46.5 Ų | 46.5 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -12.7 | -179.4 | -58.6 | 173.5 | 129.1 | 0 | 0 | 112.4 | N16 N20 | N16-E18 PolarHBondContact ND2-OE2 2.69Å; N16-E18 PolarHBondContact O-N 2.81Å; E18-N20 PolarHBondContact O-N 3.38Å; E18-N20 PolarHBondContact O-ND2 3.35Å; E18-N20 VanDerWaalsContact O-ND2 3.14Å |
| 19 | T | 82.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | trans | -65.3 | 127 | 176.5 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | L15 N16 A23 L24 L39 L74 | L15-T19 HydrophobicContact CD2-CG2 4.3Å; N16-T19 WeakPolarHBondContact CB-OG1 3.14Å; N16-T19 PolarHBondContact N-OG1 2.85Å; N16-T19 WeakPolarHBondContact O-CB 3.5Å; N16-T19 PolarHBondContact O-N 3.08Å; N16-T19 PolarHBondContact O-OG1 2.7Å; T19-A23 HydrophobicContact CG2-CB 4.28Å; T19-L24 HydrophobicContact CG2-CD2 4.22Å; T19-L24 HydrophobicContact CG2-CG 4.33Å; T19-L39 VanDerWaalsContact O-CD2 3.28Å; T19-L39 WeakPolarHBondContact O-CD2 3.33Å; T19-L74 HydrophobicContact CG2-CD2 3.73Å | ||
| 20 | N | 86.3 | Confident | 88.7 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | trans | -107.9 | 162.4 | -178.4 | -76.6 | -61.7 | 0 | 0 | 0 | 112.4 | E18 K22 A23 L24 K41 | E18-N20 PolarHBondContact O-N 3.38Å; E18-N20 PolarHBondContact O-ND2 3.35Å; E18-N20 VanDerWaalsContact O-ND2 3.14Å; N20-K22 VanDerWaalsContact C-N 3.33Å; N20-K22 PolarHBondContact O-N 2.72Å; N20-A23 WeakPolarHBondContact O-CA 3.43Å; N20-A23 WeakPolarHBondContact O-CB 3.35Å; N20-A23 PolarHBondContact O-N 2.93Å; N20-L24 PolarHBondContact O-N 2.81Å; N20-K41 PolarHBondContact OD1-NZ 2.79Å | ||
| 21 | E | 88.7 | Confident | 88.6 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -51.2 | -49.1 | 177.9 | -163.3 | 175.1 | 119.9 | 0 | 0 | 112.5 | A23 L24 E25 V37 | E21-A23 PolarHBondContact O-N 2.86Å; E21-L24 WeakPolarHBondContact O-CA 3.5Å; E21-L24 WeakPolarHBondContact O-CB 3.19Å; E21-L24 PolarHBondContact O-N 2.7Å; E21-E25 PolarHBondContact O-N 3.13Å; E21-V37 HydrophobicContact CG-CB 3.62Å; E21-V37 HydrophobicContact CG-CG1 3.58Å; E21-V37 HydrophobicContact CG-CG2 4.47Å |
| 22 | K | 89.4 | Confident | 88.5 | Confident | 166 Ų | 166 | 54.5 Ų | 54.5 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.8 | -31.9 | 175.1 | -174.4 | 177.8 | -179 | -179.6 | 0 | 114 | N20 A26 | N20-K22 VanDerWaalsContact C-N 3.33Å; N20-K22 PolarHBondContact O-N 2.72Å; K22-A26 VanDerWaalsContact O-CB 3.3Å; K22-A26 WeakPolarHBondContact O-CB 3.25Å; K22-A26 PolarHBondContact O-N 2.97Å |
| 23 | A | 88.8 | Confident | 88.5 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.1 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T19 N20 E21 V27 | T19-A23 HydrophobicContact CG2-CB 4.28Å; N20-A23 WeakPolarHBondContact O-CA 3.43Å; N20-A23 WeakPolarHBondContact O-CB 3.35Å; N20-A23 PolarHBondContact O-N 2.93Å; E21-A23 PolarHBondContact O-N 2.86Å; A23-V27 WeakPolarHBondContact O-CB 3.17Å; A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.04Å; A23-V27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 171 | -62.2 | 172.3 | 0 | 0 | 0 | 110.5 | I12 L15 T19 N20 E21 A26 V27 F28 V37 L39 A52 L74 | I12-L24 HydrophobicContact CD1-CD2 4.48Å; L15-L24 HydrophobicContact CD1-CD1 3.97Å; L15-L24 HydrophobicContact CD1-CD2 3.87Å; L15-L24 HydrophobicContact CD1-CG 4.48Å; L15-L24 HydrophobicContact CD2-CD2 3.74Å; L15-L24 HydrophobicContact CG-CD2 4.48Å; T19-L24 HydrophobicContact CG2-CD2 4.22Å; T19-L24 HydrophobicContact CG2-CG 4.33Å; N20-L24 PolarHBondContact O-N 2.81Å; E21-L24 WeakPolarHBondContact O-CA 3.5Å; E21-L24 WeakPolarHBondContact O-CB 3.19Å; E21-L24 PolarHBondContact O-N 2.7Å; L24-A26 PolarHBondContact O-N 2.78Å; L24-V27 PolarHBondContact O-N 2.98Å; L24-V27 VanDerWaalsContact O-N 3.14Å; L24-F28 HydrophobicContact CB-CD2 4.37Å; L24-F28 HydrophobicContact CD2-CD2 4.37Å; L24-F28 HydrophobicContact CD2-CE2 4.06Å; L24-F28 WeakPolarHBondContact O-CB 3.42Å; L24-F28 WeakPolarHBondContact O-CD2 3.47Å; L24-F28 PolarHBondContact O-N 3.27Å; L24-V37 HydrophobicContact CB-CG1 4.11Å; L24-V37 HydrophobicContact CD1-CG1 3.95Å; L24-L39 HydrophobicContact CD1-CD1 4.34Å; L24-A52 HydrophobicContact CD1-CB 3.4Å; L24-L74 HydrophobicContact CD2-CD1 4.26Å |
| 25 | E | 91.3 | Very high | 88.6 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 177.7 | -164 | -170 | 152.2 | 0 | 0 | 112 | E21 V27 G29 I34 V37 | E21-E25 PolarHBondContact O-N 3.13Å; E25-V27 VanDerWaalsContact C-N 3.3Å; E25-V27 PolarHBondContact O-N 3.21Å; E25-G29 VanDerWaalsContact O-CA 3.27Å; E25-G29 WeakPolarHBondContact O-CA 3.2Å; E25-G29 PolarHBondContact O-N 3.49Å; E25-I34 HydrophobicContact CG-CD1 4.17Å; E25-V37 HydrophobicContact CB-CG2 4.44Å |
| 26 | A | 90.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -22.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K22 L24 K30 | K22-A26 VanDerWaalsContact O-CB 3.3Å; K22-A26 WeakPolarHBondContact O-CB 3.25Å; K22-A26 PolarHBondContact O-N 2.97Å; L24-A26 PolarHBondContact O-N 2.78Å; A26-K30 VanDerWaalsContact O-CE 3.3Å; A26-K30 WeakPolarHBondContact O-CE 3.4Å |
| 27 | V | 89.5 | Confident | 89 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 21% | 0.212 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -88.7 | -49.4 | 177.6 | 167.6 | 0 | 0 | 0 | 0 | 111 | A23 L24 E25 Y31 M69 L74 | A23-V27 WeakPolarHBondContact O-CB 3.17Å; A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.04Å; A23-V27 VanDerWaalsContact O-N 3.12Å; L24-V27 PolarHBondContact O-N 2.98Å; L24-V27 VanDerWaalsContact O-N 3.14Å; E25-V27 VanDerWaalsContact C-N 3.3Å; E25-V27 PolarHBondContact O-N 3.21Å; V27-Y31 WeakPolarHBondContact O-CE2 3.28Å; V27-M69 HydrophobicContact CG1-CE 3.36Å; V27-M69 HydrophobicContact CG1-SD 3.7Å; V27-L74 HydrophobicContact CG1-CD1 4.37Å; V27-L74 HydrophobicContact CG2-CD1 4.28Å |
| 28 | F | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.3 | -27 | -176.8 | -75.2 | -83.5 | 0 | 0 | 0 | 112.8 | L10 I12 L24 K30 Y31 I34 V54 F56 A65 M69 I79 V81 | L10-F28 HydrophobicContact CD1-CE1 4.43Å; I12-F28 HydrophobicContact CD1-CD1 4.46Å; I12-F28 HydrophobicContact CD1-CD2 3.92Å; I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 3.42Å; I12-F28 VanDerWaalsContact CD1-CE2 3.42Å; I12-F28 HydrophobicContact CD1-CG 4.43Å; I12-F28 HydrophobicContact CD1-CZ 3.49Å; I12-F28 VanDerWaalsContact CD1-CZ 3.49Å; I12-F28 HydrophobicContact CG1-CE1 4.21Å; I12-F28 HydrophobicContact CG1-CE2 4.06Å; I12-F28 HydrophobicContact CG1-CZ 3.65Å; I12-F28 HydrophobicContact CG2-CE2 4.32Å; I12-F28 HydrophobicContact CG2-CZ 4.17Å; L24-F28 HydrophobicContact CB-CD2 4.37Å; L24-F28 HydrophobicContact CD2-CD2 4.37Å; L24-F28 HydrophobicContact CD2-CE2 4.06Å; L24-F28 WeakPolarHBondContact O-CB 3.42Å; L24-F28 WeakPolarHBondContact O-CD2 3.47Å; L24-F28 PolarHBondContact O-N 3.27Å; F28-K30 PolarHBondContact O-N 2.8Å; F28-K30 VanDerWaalsContact O-N 3.08Å; F28-Y31 WeakPolarHBondContact O-CD2 3.46Å; F28-Y31 PolarHBondContact O-N 3.25Å; F28-Y31 VanDerWaalsContact O-N 3.14Å; F28-I34 HydrophobicContact CB-CD1 3.79Å; F28-V54 HydrophobicContact CB-CG1 4.35Å; F28-V54 HydrophobicContact CD2-CG2 4.48Å; F28-F56 HydrophobicContact CB-CZ 3.89Å; F28-F56 HydrophobicContact CD1-CE2 4.35Å; F28-F56 HydrophobicContact CD1-CZ 4.13Å; F28-F56 HydrophobicContact CG-CZ 4.5Å; F28-F56 WeakPolarHBondContact O-CE1 3.48Å; F28-A65 HydrophobicContact CD1-CB 4.15Å; F28-M69 HydrophobicContact CD1-CG 4.4Å; F28-M69 HydrophobicContact CE1-CB 3.89Å; F28-M69 HydrophobicContact CE1-CG 3.87Å; F28-M69 HydrophobicContact CZ-CB 4.05Å; F28-M69 HydrophobicContact CZ-CG 4.16Å; F28-I79 HydrophobicContact CE2-CD1 4.41Å; F28-I79 HydrophobicContact CZ-CD1 4.1Å; F28-V81 HydrophobicContact CE1-CG1 4.12Å; F28-V81 HydrophobicContact CE1-CG2 4.14Å; F28-V81 HydrophobicContact CZ-CG2 3.85Å |
| 29 | G | 89.6 | Confident | 89.6 | Confident | 40 Ų | 40 | 65 Ų | 65 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E25 G32 | E25-G29 VanDerWaalsContact O-CA 3.27Å; E25-G29 WeakPolarHBondContact O-CA 3.2Å; E25-G29 PolarHBondContact O-N 3.49Å; G29-G32 WeakPolarHBondContact CA-O 3.2Å |
| 30 | K | 90.4 | Very high | 89.8 | Confident | 167 Ų | 167 | 67.6 Ų | 67.6 | 73% | 0.726 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.7 | 171.8 | -61.1 | -177.1 | -177.8 | -176.8 | 0 | 113.1 | A26 F28 | A26-K30 VanDerWaalsContact O-CE 3.3Å; A26-K30 WeakPolarHBondContact O-CE 3.4Å; F28-K30 PolarHBondContact O-N 2.8Å; F28-K30 VanDerWaalsContact O-N 3.08Å |
| 31 | Y | 89.2 | Confident | 89.9 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -23.4 | -178.5 | -55.1 | -81.3 | 0 | 0 | 0 | 112.6 | V27 F28 A65 D68 M69 | V27-Y31 WeakPolarHBondContact O-CE2 3.28Å; F28-Y31 WeakPolarHBondContact O-CD2 3.46Å; F28-Y31 PolarHBondContact O-N 3.25Å; F28-Y31 VanDerWaalsContact O-N 3.14Å; Y31-A65 HydrophobicContact CD1-CB 4.26Å; Y31-A65 HydrophobicContact CD2-CB 3.6Å; Y31-A65 HydrophobicContact CE2-CB 4.33Å; Y31-A65 HydrophobicContact CG-CB 3.58Å; Y31-D68 HydrophobicContact CE1-CB 3.85Å; Y31-D68 VanDerWaalsContact CE1-OD2 3.3Å; Y31-D68 WeakPolarHBondContact CE1-OD2 3.43Å; Y31-D68 PolarHBondContact OH-OD2 3.19Å; Y31-M69 HydrophobicContact CD2-CG 4.47Å; Y31-M69 HydrophobicContact CE2-CG 3.45Å; Y31-M69 VanDerWaalsContact CE2-CG 3.45Å; Y31-M69 HydrophobicContact CE2-SD 3.91Å; Y31-M69 WeakPolarHBondContact OH-CG 3.43Å; Y31-M69 PolarHBondContact OH-SD 3Å |
| 32 | G | 89 | Confident | 89.6 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 173.8 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G29 D61 | G29-G32 WeakPolarHBondContact CA-O 3.2Å; G32-D61 WeakPolarHBondContact CA-OD2 3.44Å |
| 33 | R | 91.9 | Very high | 89 | Confident | 176 Ų | 176 | 69.2 Ų | 69.2 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | trans | -76.2 | 128.3 | 179 | -72.3 | -179.2 | 173.7 | -169.4 | 1.1 | 111.2 | F56 E57 | R33-F56 CarbonylContact O-C 3.59Å; R33-F56 WeakPolarHBondContact O-CA 3.3Å; R33-E57 HydrophobicContact CB-CB 4.05Å; R33-E57 VanDerWaalsContact CB-OE2 3.31Å; R33-E57 WeakPolarHBondContact CB-OE2 3.27Å; R33-E57 WeakPolarHBondContact CD-OE2 3.35Å; R33-E57 IonicContact NH1-OE2 3.82Å; R33-E57 PolarHBondContact O-N 3.4Å | ||
| 34 | I | 91.7 | Very high | 88.4 | Confident | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.6 | 176.3 | -63.1 | 171.5 | 0 | 0 | 0 | 109.1 | E25 F28 V37 V54 F56 | E25-I34 HydrophobicContact CG-CD1 4.17Å; F28-I34 HydrophobicContact CB-CD1 3.79Å; I34-V37 HydrophobicContact CG2-CG2 3.63Å; I34-V54 HydrophobicContact CD1-CG1 4.06Å; I34-V54 HydrophobicContact CG1-CG1 3.95Å; I34-V54 HydrophobicContact CG2-CG1 4Å; I34-F56 HydrophobicContact CG1-CD1 4.3Å; I34-F56 HydrophobicContact CG1-CE1 4.07Å; I34-F56 HydrophobicContact CG1-CZ 4.43Å |
| 35 | V | 91.4 | Very high | 87.7 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -36.7 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | T55 E57 | V35-T55 HydrophobicContact CB-CG2 4.49Å; V35-T55 PolarHBondContact N-O 3.27Å; V35-E57 HydrophobicContact CG2-CB 3.86Å; V35-E57 HydrophobicContact CG2-CG 4.48Å |
| 36 | E | 90.7 | Very high | 86.9 | Confident | 79 Ų | 79 | 80.7 Ų | 80.7 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 136.8 | -174.4 | -175.9 | -163.3 | -140.4 | 0 | 0 | 110.6 | K9 L38 V54 T55 | K9-E36 IonicContact NZ-OE2 2.66Å; K9-E36 PolarHBondContact NZ-OE2 2.82Å; E36-L38 HydrophobicContact CG-CD1 4.48Å; E36-L38 HydrophobicContact CG-CD2 4.42Å; E36-L38 HydrophobicContact CG-CG 3.97Å; E36-L38 WeakPolarHBondContact OE1-CD1 3.5Å; E36-V54 WeakPolarHBondContact O-CA 3.42Å; E36-T55 PolarHBondContact N-O 3.09Å; E36-T55 PolarHBondContact O-N 3.32Å; E36-T55 PolarHBondContact OE2-OG1 2.89Å |
| 37 | V | 91.8 | Very high | 86.1 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.8 | 166.2 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | E21 L24 E25 I34 V54 | E21-V37 HydrophobicContact CG-CB 3.62Å; E21-V37 HydrophobicContact CG-CG1 3.58Å; E21-V37 HydrophobicContact CG-CG2 4.47Å; L24-V37 HydrophobicContact CB-CG1 4.11Å; L24-V37 HydrophobicContact CD1-CG1 3.95Å; E25-V37 HydrophobicContact CB-CG2 4.44Å; I34-V37 HydrophobicContact CG2-CG2 3.63Å; V37-V54 HydrophobicContact CG1-CG2 4.04Å; V37-V54 HydrophobicContact CG2-CG2 4.28Å |
| 38 | L | 89.5 | Confident | 85.6 | Confident | 61 Ų | 61 | 82.5 Ų | 82.5 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 88.1 | 180 | -73.7 | 177.6 | 0 | 0 | 0 | 110 | E36 M40 A52 F53 | E36-L38 HydrophobicContact CG-CD1 4.48Å; E36-L38 HydrophobicContact CG-CD2 4.42Å; E36-L38 HydrophobicContact CG-CG 3.97Å; E36-L38 WeakPolarHBondContact OE1-CD1 3.5Å; L38-M40 HydrophobicContact CB-CE 3.9Å; L38-M40 PolarHBondContact O-N 3.23Å; L38-A52 CarbonylContact O-C 3.59Å; L38-A52 VanDerWaalsContact O-CA 3.25Å; L38-A52 WeakPolarHBondContact O-CA 3.41Å; L38-F53 HydrophobicContact CB-CB 4.32Å; L38-F53 PolarHBondContact N-O 2.8Å; L38-F53 PolarHBondContact O-N 2.7Å |
| 39 | L | 89.9 | Confident | 85.3 | Confident | 18 Ų | 18 | 89.7 Ų | 89.7 | 9% | 0.094 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115 | 173.9 | 178.7 | 57.5 | 0 | 0 | 0 | 110.3 | L15 T19 L24 K41 A52 | L15-L39 HydrophobicContact CD1-CD1 4.1Å; T19-L39 VanDerWaalsContact O-CD2 3.28Å; T19-L39 WeakPolarHBondContact O-CD2 3.33Å; L24-L39 HydrophobicContact CD1-CD1 4.34Å; L39-K41 HydrophobicContact CG-CG 4.17Å; L39-K41 PolarHBondContact O-N 3.48Å; L39-A52 HydrophobicContact CB-CB 4.45Å; L39-A52 HydrophobicContact CD1-CB 3.97Å |
| 40 | M | 88.2 | Confident | 85.1 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 110.4 | -178.5 | -70.1 | -64 | 109.3 | 0 | 0 | 110.2 | L38 R49 F51 F53 | L38-M40 HydrophobicContact CB-CE 3.9Å; L38-M40 PolarHBondContact O-N 3.23Å; M40-R49 WeakPolarHBondContact O-CB 3.35Å; M40-R49 WeakPolarHBondContact O-CG 3.11Å; M40-R49 PolarHBondContact O-N 3.08Å; M40-F51 HydrophobicContact CB-CD2 3.96Å; M40-F51 HydrophobicContact CB-CE1 4.32Å; M40-F51 HydrophobicContact CB-CE2 3.66Å; M40-F51 HydrophobicContact CB-CG 4.44Å; M40-F51 HydrophobicContact CB-CZ 3.83Å; M40-F51 HydrophobicContact CG-CD2 3.92Å; M40-F51 HydrophobicContact CG-CE2 3.46Å; M40-F51 VanDerWaalsContact CG-CE2 3.46Å; M40-F51 HydrophobicContact CG-CZ 4.02Å; M40-F51 PolarHBondContact N-O 3.07Å; M40-F51 VanDerWaalsContact N-O 3.08Å; M40-F53 HydrophobicContact CG-CD2 4.46Å; M40-F53 HydrophobicContact CG-CE2 4.32Å |
| 41 | K | 87.2 | Confident | 85.1 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148.6 | 176.4 | -57 | -168.3 | 175.3 | -174.4 | 0 | 111.5 | N20 L39 | N20-K41 PolarHBondContact OD1-NZ 2.79Å; L39-K41 HydrophobicContact CG-CG 4.17Å; L39-K41 PolarHBondContact O-N 3.48Å |
| 42 | D | 82.7 | Confident | 85.2 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | trans | -76.3 | 132.1 | 172.9 | -177.2 | -87.3 | 0 | 0 | 0 | 109.5 | E44 T45 N46 K47 R49 | D42-E44 PolarHBondContact OD1-N 3.08Å; D42-T45 WeakPolarHBondContact CB-OG1 3.44Å; D42-T45 PolarHBondContact OD1-N 2.85Å; D42-T45 PolarHBondContact OD1-OG1 3.44Å; D42-N46 WeakPolarHBondContact O-CA 3.26Å; D42-N46 PolarHBondContact O-N 2.84Å; D42-K47 WeakPolarHBondContact CB-O 3.35Å; D42-K47 PolarHBondContact N-O 2.83Å; D42-R49 HydrophobicContact CB-CG 4.15Å | ||
| 43 | R | 75.7 | Confident | 85.4 | Confident | 241 Ų | 241 | 80.7 Ų | 80.7 | 91% | 0.909 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -20.4 | -172.5 | -70.6 | -173.7 | 176.5 | -138.7 | -1 | 113.9 | ||
| 44 | E | 77.1 | Confident | 85.4 | Confident | 182 Ų | 182 | 72.3 Ų | 72.3 | 85% | 0.85 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -41.7 | -178.5 | -60.5 | -174.8 | 96.4 | 0 | 0 | 110.5 | D42 | D42-E44 PolarHBondContact OD1-N 3.08Š|
| 45 | T | 76.2 | Confident | 85.4 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -10.7 | -177 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | D42 K47 | D42-T45 WeakPolarHBondContact CB-OG1 3.44Å; D42-T45 PolarHBondContact OD1-N 2.85Å; D42-T45 PolarHBondContact OD1-OG1 3.44Å; T45-K47 PolarHBondContact O-N 2.89Å |
| 46 | N | 73.3 | Confident | 85.4 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 66% | 0.663 | 32% | 0.316 | S | S | * | . | trans | 56.1 | 7.4 | -169.9 | -74 | -79.3 | 0 | 0 | 0 | 115.4 | D42 | D42-N46 WeakPolarHBondContact O-CA 3.26Å; D42-N46 PolarHBondContact O-N 2.84Å | ||
| 47 | K | 74.2 | Confident | 85.4 | Confident | 130 Ų | 130 | 69.5 Ų | 69.5 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | trans | -78 | 140.6 | 177.8 | -64.9 | -179.9 | -178.7 | -177.3 | 0 | 110 | T17 D42 T45 R49 | T17-K47 HydrophobicContact CG2-CB 4.16Å; D42-K47 WeakPolarHBondContact CB-O 3.35Å; D42-K47 PolarHBondContact N-O 2.83Å; T45-K47 PolarHBondContact O-N 2.89Å; K47-R49 PolarHBondContact O-N 2.8Å | ||
| 48 | S | 78.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 133.8 | 171.2 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | T17 G50 | T17-S48 PolarHBondContact O-OG 2.98Å; S48-G50 PolarHBondContact O-N 3.04Å |
| 49 | R | 82.9 | Confident | 85.2 | Confident | 151 Ų | 151 | 70.7 Ų | 70.7 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 11 | -179.8 | -62.7 | 178.5 | 64.7 | -168.4 | -0.7 | 113.2 | M40 D42 K47 F51 | M40-R49 WeakPolarHBondContact O-CB 3.35Å; M40-R49 WeakPolarHBondContact O-CG 3.11Å; M40-R49 PolarHBondContact O-N 3.08Å; D42-R49 HydrophobicContact CB-CG 4.15Å; K47-R49 PolarHBondContact O-N 2.8Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.8Å; R49-F51 HydrophobicContact CB-CE1 3.54Å; R49-F51 HydrophobicContact CB-CZ 4.44Å; R49-F51 HydrophobicContact CG-CE1 4.48Å; R49-F51 WeakPolarHBondContact O-CD1 3.36Å; R49-F51 PolarHBondContact O-N 3.42Å |
| 50 | G | 86.2 | Confident | 85.2 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | 11.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G13 G14 L15 S48 | G13-G50 CarbonylContact C-O 3.59Å; G14-G50 PolarHBondContact N-O 3.14Å; L15-G50 PolarHBondContact N-O 3.47Å; L15-G50 WeakPolarHBondContact O-CA 3.36Å; S48-G50 PolarHBondContact O-N 3.04Å |
| 51 | F | 90.6 | Very high | 85.3 | Confident | 41 Ų | 41 | 72 Ų | 72 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.3 | 175.8 | 69.3 | -85.1 | 0 | 0 | 0 | 114.3 | F11 I12 M40 R49 F53 | F11-F51 HydrophobicContact CD2-CD2 4.38Å; F11-F51 HydrophobicContact CE2-CB 3.68Å; F11-F51 AromaticContact CE2-CD2 3.67Å; F11-F51 HydrophobicContact CE2-CD2 3.67Å; F11-F51 AromaticContact CE2-CG 3.89Å; F11-F51 HydrophobicContact CE2-CG 3.89Å; F11-F51 HydrophobicContact CZ-CB 3.9Å; F11-F51 HydrophobicContact CZ-CG 4.4Å; I12-F51 CarbonylContact O-C 3.55Å; I12-F51 WeakPolarHBondContact O-CA 3.42Å; I12-F51 WeakPolarHBondContact O-CB 3.23Å; M40-F51 HydrophobicContact CB-CD2 3.96Å; M40-F51 HydrophobicContact CB-CE1 4.32Å; M40-F51 HydrophobicContact CB-CE2 3.66Å; M40-F51 HydrophobicContact CB-CG 4.44Å; M40-F51 HydrophobicContact CB-CZ 3.83Å; M40-F51 HydrophobicContact CG-CD2 3.92Å; M40-F51 HydrophobicContact CG-CE2 3.46Å; M40-F51 VanDerWaalsContact CG-CE2 3.46Å; M40-F51 HydrophobicContact CG-CZ 4.02Å; M40-F51 PolarHBondContact N-O 3.07Å; M40-F51 VanDerWaalsContact N-O 3.08Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.8Å; R49-F51 HydrophobicContact CB-CE1 3.54Å; R49-F51 HydrophobicContact CB-CZ 4.44Å; R49-F51 HydrophobicContact CG-CE1 4.48Å; R49-F51 WeakPolarHBondContact O-CD1 3.36Å; R49-F51 PolarHBondContact O-N 3.42Å; F51-F53 HydrophobicContact CD2-CE2 4.09Å; F51-F53 AromaticContact CE2-CE2 3.98Å; F51-F53 HydrophobicContact CE2-CE2 3.98Å; F51-F53 HydrophobicContact CE2-CZ 4.49Å |
| 52 | A | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 167.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | I12 L15 L24 L38 L39 | I12-A52 PolarHBondContact N-O 2.83Å; I12-A52 PolarHBondContact O-N 3.29Å; L15-A52 HydrophobicContact CD1-CB 3.59Å; L24-A52 HydrophobicContact CD1-CB 3.4Å; L38-A52 CarbonylContact O-C 3.59Å; L38-A52 VanDerWaalsContact O-CA 3.25Å; L38-A52 WeakPolarHBondContact O-CA 3.41Å; L39-A52 HydrophobicContact CB-CB 4.45Å; L39-A52 HydrophobicContact CD1-CB 3.97Å |
| 53 | F | 92.1 | Very high | 85.6 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.3 | 164.4 | -58.6 | -93.4 | 0 | 0 | 0 | 110.1 | L10 F11 L38 M40 F51 A84 P87 | L10-F53 CarbonylContact O-C 3.59Å; L10-F53 WeakPolarHBondContact O-CA 3.46Å; F11-F53 HydrophobicContact CB-CD1 4.15Å; F11-F53 HydrophobicContact CB-CE1 4.02Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.68Å; F11-F53 HydrophobicContact CD2-CE1 3.68Å; F11-F53 AromaticContact CD2-CZ 3.87Å; F11-F53 HydrophobicContact CD2-CZ 3.87Å; F11-F53 HydrophobicContact CG-CE1 4.34Å; L38-F53 HydrophobicContact CB-CB 4.32Å; L38-F53 PolarHBondContact N-O 2.8Å; L38-F53 PolarHBondContact O-N 2.7Å; M40-F53 HydrophobicContact CG-CD2 4.46Å; M40-F53 HydrophobicContact CG-CE2 4.32Å; F51-F53 HydrophobicContact CD2-CE2 4.09Å; F51-F53 AromaticContact CE2-CE2 3.98Å; F51-F53 HydrophobicContact CE2-CE2 3.98Å; F51-F53 HydrophobicContact CE2-CZ 4.49Å; F53-A84 HydrophobicContact CD1-CB 3.9Å; F53-A84 HydrophobicContact CE1-CB 4.18Å; F53-P87 HydrophobicContact CZ-CB 4.33Å |
| 54 | V | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.9 | 172.9 | 170.8 | 0 | 0 | 0 | 0 | 108 | K9 L10 I12 F28 I34 E36 V37 F56 | K9-V54 CarbonylContact C-O 3.53Å; K9-V54 WeakPolarHBondContact CA-O 3.36Å; L10-V54 PolarHBondContact N-O 2.81Å; L10-V54 PolarHBondContact O-N 3.43Å; I12-V54 HydrophobicContact CD1-CB 3.99Å; I12-V54 HydrophobicContact CD1-CG2 3.4Å; I12-V54 VanDerWaalsContact CD1-CG2 3.4Å; F28-V54 HydrophobicContact CB-CG1 4.35Å; F28-V54 HydrophobicContact CD2-CG2 4.48Å; I34-V54 HydrophobicContact CD1-CG1 4.06Å; I34-V54 HydrophobicContact CG1-CG1 3.95Å; I34-V54 HydrophobicContact CG2-CG1 4Å; E36-V54 WeakPolarHBondContact O-CA 3.42Å; V37-V54 HydrophobicContact CG1-CG2 4.04Å; V37-V54 HydrophobicContact CG2-CG2 4.28Å; V54-F56 HydrophobicContact CB-CE2 4.45Å; V54-F56 HydrophobicContact CG1-CD2 3.89Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 4.16Å |
| 55 | T | 91.1 | Very high | 86.9 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.2 | 174.7 | -47.8 | 0 | 0 | 0 | 0 | 108.2 | K9 V35 E36 | K9-T55 WeakPolarHBondContact CE-OG1 3Å; K9-T55 PolarHBondContact NZ-OG1 3.01Å; V35-T55 HydrophobicContact CB-CG2 4.49Å; V35-T55 PolarHBondContact N-O 3.27Å; E36-T55 PolarHBondContact N-O 3.09Å; E36-T55 PolarHBondContact O-N 3.32Å; E36-T55 PolarHBondContact OE2-OG1 2.89Å |
| 56 | F | 92 | Very high | 87.6 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 157.4 | 172.8 | -74.1 | -95.6 | 0 | 0 | 0 | 111.7 | G8 L10 F28 R33 I34 V54 S58 D61 A62 A65 | G8-F56 PolarHBondContact O-N 3.39Å; L10-F56 HydrophobicContact CD1-CD2 4.3Å; L10-F56 HydrophobicContact CD1-CE2 3.69Å; L10-F56 HydrophobicContact CG-CD2 4.39Å; L10-F56 HydrophobicContact CG-CE2 4.23Å; F28-F56 HydrophobicContact CB-CZ 3.89Å; F28-F56 HydrophobicContact CD1-CE2 4.35Å; F28-F56 HydrophobicContact CD1-CZ 4.13Å; F28-F56 HydrophobicContact CG-CZ 4.5Å; F28-F56 WeakPolarHBondContact O-CE1 3.48Å; R33-F56 CarbonylContact O-C 3.59Å; R33-F56 WeakPolarHBondContact O-CA 3.3Å; I34-F56 HydrophobicContact CG1-CD1 4.3Å; I34-F56 HydrophobicContact CG1-CE1 4.07Å; I34-F56 HydrophobicContact CG1-CZ 4.43Å; V54-F56 HydrophobicContact CB-CE2 4.45Å; V54-F56 HydrophobicContact CG1-CD2 3.89Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 4.16Å; F56-S58 WeakPolarHBondContact CB-O 3.38Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.43Å; F56-A62 HydrophobicContact CB-CB 4.11Å; F56-A62 HydrophobicContact CD2-CB 3.73Å; F56-A62 HydrophobicContact CE2-CB 4.46Å; F56-A62 HydrophobicContact CG-CB 4.11Å; F56-A65 HydrophobicContact CE2-CB 4.16Å; F56-A65 HydrophobicContact CZ-CB 3.79Å |
| 57 | E | 90 | Very high | 88.4 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -69.3 | -38.9 | 172 | -169.8 | 175.2 | 179.7 | 0 | 0 | 110.9 | R33 V35 | R33-E57 HydrophobicContact CB-CB 4.05Å; R33-E57 VanDerWaalsContact CB-OE2 3.31Å; R33-E57 WeakPolarHBondContact CB-OE2 3.27Å; R33-E57 WeakPolarHBondContact CD-OE2 3.35Å; R33-E57 IonicContact NH1-OE2 3.82Å; R33-E57 PolarHBondContact O-N 3.4Å; V35-E57 HydrophobicContact CG2-CB 3.86Å; V35-E57 HydrophobicContact CG2-CG 4.48Å |
| 58 | S | 88.8 | Confident | 89.1 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | trans | -111 | 132.6 | 179.3 | 159.1 | 0 | 0 | 0 | 0 | 111.7 | F56 A60 D61 A62 | F56-S58 WeakPolarHBondContact CB-O 3.38Å; S58-A60 PolarHBondContact O-N 3.31Å; S58-A60 PolarHBondContact OG-N 2.86Å; S58-D61 VanDerWaalsContact CB-CG 3.42Å; S58-D61 WeakPolarHBondContact CB-OD1 3.5Å; S58-D61 WeakPolarHBondContact CB-OD2 3.49Å; S58-D61 PolarHBondContact O-N 2.78Å; S58-D61 PolarHBondContact OG-N 2.87Å; S58-D61 PolarHBondContact OG-OD1 3.42Å; S58-A62 PolarHBondContact O-N 2.91Å | ||
| 59 | P | 88.9 | Confident | 89.5 | Confident | 66 Ų | 66 | 53 Ų | 53 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.2 | -18.6 | 174.5 | 29.9 | -34.9 | 0 | 0 | 0 | 113.4 | P7 K63 | P7-P59 HydrophobicContact CB-CB 3.71Å; P7-P59 HydrophobicContact CG-CB 3.88Å; P59-K63 WeakPolarHBondContact O-CB 3.22Å; P59-K63 PolarHBondContact O-N 2.88Å; P59-K63 VanDerWaalsContact O-N 3.14Å |
| 60 | A | 89.3 | Confident | 89.8 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69 | -47.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S58 A62 K63 D64 | S58-A60 PolarHBondContact O-N 3.31Å; S58-A60 PolarHBondContact OG-N 2.86Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 2.92Å; A60-K63 WeakPolarHBondContact O-CB 3.4Å; A60-K63 PolarHBondContact O-N 3.44Å; A60-D64 PolarHBondContact O-N 2.92Å |
| 61 | D | 90.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.3 | -49.1 | 14 | 0 | 0 | 0 | 110.6 | G32 F56 S58 K63 D64 A65 | G32-D61 WeakPolarHBondContact CA-OD2 3.44Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.43Å; S58-D61 VanDerWaalsContact CB-CG 3.42Å; S58-D61 WeakPolarHBondContact CB-OD1 3.5Å; S58-D61 WeakPolarHBondContact CB-OD2 3.49Å; S58-D61 PolarHBondContact O-N 2.78Å; S58-D61 PolarHBondContact OG-N 2.87Å; S58-D61 PolarHBondContact OG-OD1 3.42Å; D61-K63 VanDerWaalsContact C-N 3.34Å; D61-K63 PolarHBondContact O-N 3.05Å; D61-D64 PolarHBondContact O-N 3.46Å; D61-A65 VanDerWaalsContact O-CB 3.26Å; D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 2.84Å |
| 62 | A | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L10 F56 S58 A60 A66 | L10-A62 HydrophobicContact CD1-CB 4.47Å; L10-A62 WeakPolarHBondContact CD1-O 3.47Å; L10-A62 HydrophobicContact CD2-CB 4Å; L10-A62 WeakPolarHBondContact CD2-O 3.35Å; L10-A62 HydrophobicContact CG-CB 4.11Å; F56-A62 HydrophobicContact CB-CB 4.11Å; F56-A62 HydrophobicContact CD2-CB 3.73Å; F56-A62 HydrophobicContact CE2-CB 4.46Å; F56-A62 HydrophobicContact CG-CB 4.11Å; S58-A62 PolarHBondContact O-N 2.91Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 2.92Å; A62-A66 VanDerWaalsContact O-CB 3.23Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.92Å |
| 63 | K | 89.3 | Confident | 89.4 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -37.6 | 178.5 | -172.3 | -178 | -177.3 | -175.4 | 0 | 112.2 | P59 A60 D61 R67 | P59-K63 WeakPolarHBondContact O-CB 3.22Å; P59-K63 PolarHBondContact O-N 2.88Å; P59-K63 VanDerWaalsContact O-N 3.14Å; A60-K63 WeakPolarHBondContact O-CB 3.4Å; A60-K63 PolarHBondContact O-N 3.44Å; D61-K63 VanDerWaalsContact C-N 3.34Å; D61-K63 PolarHBondContact O-N 3.05Å; K63-R67 WeakPolarHBondContact O-CG 3.42Å; K63-R67 PolarHBondContact O-N 3.14Å; K63-R67 VanDerWaalsContact O-N 3.14Å |
| 64 | D | 89.9 | Confident | 88.8 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.4 | -49.5 | 177.3 | -161.8 | -105.7 | 0 | 0 | 0 | 111.4 | A60 D61 A66 R67 D68 | A60-D64 PolarHBondContact O-N 2.92Å; D61-D64 PolarHBondContact O-N 3.46Å; D64-A66 PolarHBondContact O-N 3.35Å; D64-R67 PolarHBondContact O-N 3.22Å; D64-D68 PolarHBondContact O-N 3.14Å |
| 65 | A | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.3 | -40.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L10 F28 Y31 F56 D61 R67 M69 | L10-A65 HydrophobicContact CD1-CB 4.04Å; F28-A65 HydrophobicContact CD1-CB 4.15Å; Y31-A65 HydrophobicContact CD1-CB 4.26Å; Y31-A65 HydrophobicContact CD2-CB 3.6Å; Y31-A65 HydrophobicContact CE2-CB 4.33Å; Y31-A65 HydrophobicContact CG-CB 3.58Å; F56-A65 HydrophobicContact CE2-CB 4.16Å; F56-A65 HydrophobicContact CZ-CB 3.79Å; D61-A65 VanDerWaalsContact O-CB 3.26Å; D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 2.84Å; A65-R67 VanDerWaalsContact C-N 3.33Å; A65-R67 PolarHBondContact O-N 3.42Å; A65-M69 WeakPolarHBondContact O-CB 3.38Å; A65-M69 PolarHBondContact O-N 2.6Å |
| 66 | A | 90.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -29.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L10 A62 D64 N70 V81 | L10-A66 HydrophobicContact CD1-CB 4.18Å; L10-A66 HydrophobicContact CD2-CB 3.89Å; A62-A66 VanDerWaalsContact O-CB 3.23Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.92Å; D64-A66 PolarHBondContact O-N 3.35Å; A66-N70 WeakPolarHBondContact O-CB 3.22Å; A66-V81 HydrophobicContact CB-CG1 4.06Å |
| 67 | R | 89.1 | Confident | 87.5 | Confident | 192 Ų | 192 | 68.1 Ų | 68.1 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.8 | -40.7 | 176.2 | -73 | 175.8 | 71.5 | -151 | 2.6 | 112 | K63 D64 A65 | K63-R67 WeakPolarHBondContact O-CG 3.42Å; K63-R67 PolarHBondContact O-N 3.14Å; K63-R67 VanDerWaalsContact O-N 3.14Å; D64-R67 PolarHBondContact O-N 3.22Å; A65-R67 VanDerWaalsContact C-N 3.33Å; A65-R67 PolarHBondContact O-N 3.42Å |
| 68 | D | 89.4 | Confident | 87.5 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -87.7 | -33.2 | -174.9 | -172.1 | 40.5 | 0 | 0 | 0 | 113.3 | Y31 D64 K72 | Y31-D68 HydrophobicContact CE1-CB 3.85Å; Y31-D68 VanDerWaalsContact CE1-OD2 3.3Å; Y31-D68 WeakPolarHBondContact CE1-OD2 3.43Å; Y31-D68 PolarHBondContact OH-OD2 3.19Å; D64-D68 PolarHBondContact O-N 3.14Å; D68-K72 VanDerWaalsContact O-CD 3.27Å; D68-K72 WeakPolarHBondContact O-CD 3.24Å; D68-K72 WeakPolarHBondContact O-CE 3.07Å; D68-K72 PolarHBondContact O-NZ 2.87Å; D68-K72 IonicContact OD1-NZ 2.72Å; D68-K72 PolarHBondContact OD1-NZ 3.03Å; D68-K72 IonicContact OD2-NZ 2.7Å; D68-K72 PolarHBondContact OD2-NZ 3.4Å |
| 69 | M | 87.2 | Confident | 87.6 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -86 | -16.7 | 178.2 | -69.4 | -62 | -49.2 | 0 | 0 | 114.8 | V27 F28 Y31 A65 G71 K72 I79 V81 | V27-M69 HydrophobicContact CG1-CE 3.36Å; V27-M69 HydrophobicContact CG1-SD 3.7Å; F28-M69 HydrophobicContact CD1-CG 4.4Å; F28-M69 HydrophobicContact CE1-CB 3.89Å; F28-M69 HydrophobicContact CE1-CG 3.87Å; F28-M69 HydrophobicContact CZ-CB 4.05Å; F28-M69 HydrophobicContact CZ-CG 4.16Å; Y31-M69 HydrophobicContact CD2-CG 4.47Å; Y31-M69 HydrophobicContact CE2-CG 3.45Å; Y31-M69 VanDerWaalsContact CE2-CG 3.45Å; Y31-M69 HydrophobicContact CE2-SD 3.91Å; Y31-M69 WeakPolarHBondContact OH-CG 3.43Å; Y31-M69 PolarHBondContact OH-SD 3Å; A65-M69 WeakPolarHBondContact O-CB 3.38Å; A65-M69 PolarHBondContact O-N 2.6Å; M69-G71 PolarHBondContact O-N 2.95Å; M69-K72 HydrophobicContact CE-CB 4.1Å; M69-K72 HydrophobicContact CE-CD 4.17Å; M69-K72 PolarHBondContact O-N 3.34Å; M69-K72 HydrophobicContact SD-CD 3.83Å; M69-I79 HydrophobicContact CE-CD1 3.66Å; M69-V81 HydrophobicContact CB-CG2 3.76Å |
| 70 | N | 89.8 | Confident | 87.8 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 117.8 | -178.2 | -179.6 | 46.2 | 0 | 0 | 0 | 111.6 | A66 K80 V81 | A66-N70 WeakPolarHBondContact O-CB 3.22Å; N70-K80 WeakPolarHBondContact OD1-CG 3.3Å; N70-V81 HydrophobicContact CB-CB 4.08Å; N70-V81 PolarHBondContact OD1-N 3.14Å; N70-V81 PolarHBondContact OD1-O 3.08Å |
| 71 | G | 86 | Confident | 87.9 | Confident | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M69 I79 | M69-G71 PolarHBondContact O-N 2.95Å; G71-I79 WeakPolarHBondContact CA-O 3.45Å; G71-I79 PolarHBondContact N-O 2.8Å |
| 72 | K | 87.7 | Confident | 87.8 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -72.1 | 154 | 174.6 | -74.3 | -173 | 178.2 | 157.1 | 0 | 111.6 | D68 M69 I79 | D68-K72 VanDerWaalsContact O-CD 3.27Å; D68-K72 WeakPolarHBondContact O-CD 3.24Å; D68-K72 WeakPolarHBondContact O-CE 3.07Å; D68-K72 PolarHBondContact O-NZ 2.87Å; D68-K72 IonicContact OD1-NZ 2.72Å; D68-K72 PolarHBondContact OD1-NZ 3.03Å; D68-K72 IonicContact OD2-NZ 2.7Å; D68-K72 PolarHBondContact OD2-NZ 3.4Å; M69-K72 HydrophobicContact CE-CB 4.1Å; M69-K72 HydrophobicContact CE-CD 4.17Å; M69-K72 PolarHBondContact O-N 3.34Å; M69-K72 HydrophobicContact SD-CD 3.83Å; K72-I79 WeakPolarHBondContact O-CG1 3.48Å; K72-I79 PolarHBondContact O-N 3.12Å | ||
| 73 | S | 84.4 | Confident | 87.8 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.8 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | K77 | S73-K77 CarbonylContact C-O 3.52Å; S73-K77 VanDerWaalsContact CA-O 3.3Å; S73-K77 WeakPolarHBondContact CA-O 3.3Å |
| 74 | L | 80.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.2 | 172.2 | -156.8 | 169.2 | 0 | 0 | 0 | 107.2 | L15 T19 L24 V27 G76 K77 I79 | L15-L74 HydrophobicContact CD2-CD1 4.32Å; T19-L74 HydrophobicContact CG2-CD2 3.73Å; L24-L74 HydrophobicContact CD2-CD1 4.26Å; V27-L74 HydrophobicContact CG1-CD1 4.37Å; V27-L74 HydrophobicContact CG2-CD1 4.28Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.35Å; L74-K77 PolarHBondContact N-O 2.79Å; L74-K77 PolarHBondContact O-N 3.2Å; L74-K77 VanDerWaalsContact O-N 3.08Å; L74-K77 VanDerWaalsContact O-O 3.1Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG2 3.54Å; L74-I79 HydrophobicContact CD1-CD1 4.16Å |
| 75 | D | 79.9 | Confident | 86.9 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 40.1 | 177.7 | -149.8 | -141.5 | 0 | 0 | 0 | 113.2 | N16 K77 | N16-D75 HydrophobicContact CB-CB 3.9Å; N16-D75 VanDerWaalsContact CB-OD1 3.28Å; N16-D75 WeakPolarHBondContact CB-OD1 3.47Å; N16-D75 PolarHBondContact ND2-OD1 3.24Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.33Å |
| 76 | G | 82.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 79% | 0.794 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -1.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L74 | L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.35Å |
| 77 | K | 85.5 | Confident | 84.2 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.8 | 179.1 | -72.8 | 174.6 | 177.1 | 167.6 | 0 | 112.2 | G14 N16 S73 L74 D75 I79 | G14-K77 WeakPolarHBondContact O-CB 3.31Å; N16-K77 HydrophobicContact CB-CD 3.96Å; N16-K77 WeakPolarHBondContact OD1-CE 3.48Å; N16-K77 PolarHBondContact OD1-NZ 2.93Å; S73-K77 CarbonylContact C-O 3.52Å; S73-K77 VanDerWaalsContact CA-O 3.3Å; S73-K77 WeakPolarHBondContact CA-O 3.3Å; L74-K77 PolarHBondContact N-O 2.79Å; L74-K77 PolarHBondContact O-N 3.2Å; L74-K77 VanDerWaalsContact O-N 3.08Å; L74-K77 VanDerWaalsContact O-O 3.1Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.33Å; K77-I79 PolarHBondContact O-N 3.18Å |
| 78 | A | 89.2 | Confident | 82.3 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 55% | 0.554 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 122.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 79 | I | 92.2 | Very high | 80.5 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | trans | -95 | 141.8 | 177.8 | 76.9 | 172.7 | 0 | 0 | 0 | 110.1 | I12 G13 L15 F28 M69 G71 K72 L74 K77 V81 | I12-I79 HydrophobicContact CG2-CB 4.4Å; I12-I79 HydrophobicContact CG2-CD1 4.08Å; G13-I79 CarbonylContact O-C 3.51Å; G13-I79 VanDerWaalsContact O-CA 3.24Å; G13-I79 WeakPolarHBondContact O-CA 3.28Å; L15-I79 HydrophobicContact CD2-CB 4.5Å; L15-I79 HydrophobicContact CD2-CG2 3.79Å; F28-I79 HydrophobicContact CE2-CD1 4.41Å; F28-I79 HydrophobicContact CZ-CD1 4.1Å; M69-I79 HydrophobicContact CE-CD1 3.66Å; G71-I79 WeakPolarHBondContact CA-O 3.45Å; G71-I79 PolarHBondContact N-O 2.8Å; K72-I79 WeakPolarHBondContact O-CG1 3.48Å; K72-I79 PolarHBondContact O-N 3.12Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG2 3.54Å; L74-I79 HydrophobicContact CD1-CD1 4.16Å; K77-I79 PolarHBondContact O-N 3.18Å; I79-V81 HydrophobicContact CD1-CG2 3.95Å; I79-V81 HydrophobicContact CG1-CG2 4.14Å | ||
| 80 | K | 91.5 | Very high | 78.6 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 47% | 0.47 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.6 | 170.9 | -172.7 | -175.1 | 175 | -164.6 | 0 | 108.4 | I12 G13 N70 E82 | I12-K80 CarbonylContact C-O 3.47Å; I12-K80 WeakPolarHBondContact CA-O 2.95Å; G13-K80 PolarHBondContact N-O 2.79Å; G13-K80 PolarHBondContact O-N 3.14Å; N70-K80 WeakPolarHBondContact OD1-CG 3.3Å; K80-E82 WeakPolarHBondContact CE-OE2 3.3Å; K80-E82 IonicContact NZ-OE2 2.75Å; K80-E82 PolarHBondContact NZ-OE2 3.23Å |
| 81 | V | 92.3 | Very high | 76.5 | Confident | 6 Ų | 6 | 78.9 Ų | 78.9 | 4% | 0.036 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.3 | 176.9 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | L10 F11 I12 F28 A66 M69 N70 I79 | L10-V81 HydrophobicContact CB-CG1 4.27Å; L10-V81 HydrophobicContact CD1-CG1 3.77Å; L10-V81 HydrophobicContact CG-CG1 4.49Å; F11-V81 WeakPolarHBondContact O-CA 3.44Å; I12-V81 HydrophobicContact CG1-CG1 4.26Å; I12-V81 HydrophobicContact CG1-CG2 4.37Å; I12-V81 HydrophobicContact CG2-CG2 4.36Å; F28-V81 HydrophobicContact CE1-CG1 4.12Å; F28-V81 HydrophobicContact CE1-CG2 4.14Å; F28-V81 HydrophobicContact CZ-CG2 3.85Å; A66-V81 HydrophobicContact CB-CG1 4.06Å; M69-V81 HydrophobicContact CB-CG2 3.76Å; N70-V81 HydrophobicContact CB-CB 4.08Å; N70-V81 PolarHBondContact OD1-N 3.14Å; N70-V81 PolarHBondContact OD1-O 3.08Å; I79-V81 HydrophobicContact CD1-CG2 3.95Å; I79-V81 HydrophobicContact CG1-CG2 4.14Å |
| 82 | E | 89 | Confident | 74.5 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.5 | -177.3 | -160.9 | 171.6 | 139 | 0 | 0 | 109.7 | L10 F11 K80 A84 | L10-E82 CarbonylContact C-O 3.47Å; L10-E82 WeakPolarHBondContact CA-O 2.85Å; F11-E82 PolarHBondContact N-O 2.97Å; F11-E82 PolarHBondContact O-N 3.42Å; K80-E82 WeakPolarHBondContact CE-OE2 3.3Å; K80-E82 IonicContact NZ-OE2 2.75Å; K80-E82 PolarHBondContact NZ-OE2 3.23Å; E82-A84 PolarHBondContact O-N 2.84Å |
| 83 | Q | 88.3 | Confident | 72.6 | Confident | 52 Ų | 52 | 86.1 Ų | 86.1 | 24% | 0.243 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 132 | 170.5 | -71.8 | -73.8 | -45.5 | 0 | 0 | 109.4 | A4 P7 L10 T85 | A4-Q83 HydrophobicContact CB-CB 4.24Å; P7-Q83 PolarHBondContact O-OE1 2.99Å; L10-Q83 VanDerWaalsContact CD2-NE2 3.31Å; Q83-T85 PolarHBondContact O-N 3.02Å; Q83-T85 VanDerWaalsContact O-N 3.09Å |
| 84 | A | 83.8 | Confident | 70.9 | Confident | 7 Ų | 7 | 93.2 Ų | 93.2 | 6% | 0.058 | 50% | 0.5 | C | S | . | . | trans | -71.2 | 109.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K9 F11 F53 E82 | K9-A84 HydrophobicContact CB-CB 3.93Å; K9-A84 HydrophobicContact CD-CB 4.49Å; K9-A84 HydrophobicContact CG-CB 3.75Å; K9-A84 WeakPolarHBondContact O-CB 3.33Å; K9-A84 PolarHBondContact O-N 2.87Å; F11-A84 HydrophobicContact CB-CB 4.43Å; F53-A84 HydrophobicContact CD1-CB 3.9Å; F53-A84 HydrophobicContact CE1-CB 4.18Å; E82-A84 PolarHBondContact O-N 2.84Å | ||
| 85 | T | 75.5 | Confident | 69.5 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -66.3 | 158.2 | 163.6 | 53.4 | 0 | 0 | 0 | 0 | 110 | Q83 P87 | Q83-T85 PolarHBondContact O-N 3.02Å; Q83-T85 VanDerWaalsContact O-N 3.09Å; T85-P87 WeakPolarHBondContact O-CD 3.27Å; T85-P87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | K | 66.2 | Low | 68.7 | Low | 139 Ų | 139 | 96.9 Ų | 96.9 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | trans | -51 | 120.8 | 174.2 | -74.5 | 179.5 | 180 | 167 | 0 | 108.5 | D5 S88 | D5-K86 VanDerWaalsContact CB-CE 3.48Å; D5-K86 HydrophobicContact CB-CG 4.19Å; D5-K86 WeakPolarHBondContact OD1-CE 3.36Å; D5-K86 IonicContact OD1-NZ 3.82Å; D5-K86 WeakPolarHBondContact OD2-CE 3.09Å; D5-K86 IonicContact OD2-NZ 2.6Å; D5-K86 PolarHBondContact OD2-NZ 3.22Å; K86-S88 PolarHBondContact O-N 2.96Å | ||
| 87 | P | 58.2 | Low | 67.8 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | trans | -71.4 | 102.4 | 179.7 | 31.4 | -34.8 | 0 | 0 | 0 | 106.5 | F53 T85 F89 | F53-P87 HydrophobicContact CZ-CB 4.33Å; T85-P87 WeakPolarHBondContact O-CD 3.27Å; T85-P87 VanDerWaalsContact O-N 3.08Å; P87-F89 HydrophobicContact CB-CD1 3.93Å; P87-F89 HydrophobicContact CB-CE1 4.41Å; P87-F89 HydrophobicContact CG-CD1 3.96Å; P87-F89 HydrophobicContact CG-CE1 3.93Å; P87-F89 WeakPolarHBondContact O-CD1 2.9Å; P87-F89 PolarHBondContact O-N 3.49Å | ||
| 88 | S | 49.5 | Very low | 66.9 | Low | 121 Ų | 121 | 99.1 Ų | 99.1 | 85% | 0.846 | 55% | 0.551 | S | S | * | * | trans | -73.6 | 45.1 | 176.3 | -170.5 | 0 | 0 | 0 | 0 | 110.9 | K86 E90 | K86-S88 PolarHBondContact O-N 2.96Å; S88-E90 PolarHBondContact O-N 2.91Å | ||
| 89 | F | 51.9 | Low | 65.7 | Low | 146 Ų | 146 | 101.2 Ų | 101.2 | 64% | 0.64 | 56% | 0.559 | S | S | * | * | trans | -62.9 | 125.9 | 158.3 | 69.9 | -99.6 | 0 | 0 | 0 | 106.1 | P87 S91 | P87-F89 HydrophobicContact CB-CD1 3.93Å; P87-F89 HydrophobicContact CB-CE1 4.41Å; P87-F89 HydrophobicContact CG-CD1 3.96Å; P87-F89 HydrophobicContact CG-CE1 3.93Å; P87-F89 WeakPolarHBondContact O-CD1 2.9Å; P87-F89 PolarHBondContact O-N 3.49Å; F89-S91 VanDerWaalsContact C-N 3.28Å; F89-S91 PolarHBondContact O-N 3.23Å | ||
| 90 | E | 46.7 | Very low | 64.3 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 87% | 0.869 | 60% | 0.596 | S | S | * | * | trans | -59 | 99.9 | 164.8 | -84.3 | 178.1 | 66.3 | 0 | 0 | 107.8 | S88 G92 | S88-E90 PolarHBondContact O-N 2.91Å; E90-G92 PolarHBondContact O-N 2.87Å; E90-G92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | S | 44.9 | Very low | 62.4 | Low | 76 Ų | 76 | 113.2 Ų | 113.2 | 53% | 0.531 | 62% | 0.617 | S | S | . | * | trans | -43.5 | 117.2 | 144.7 | -64.8 | 0 | 0 | 0 | 0 | 106.2 | F89 R93 | F89-S91 VanDerWaalsContact C-N 3.28Å; F89-S91 PolarHBondContact O-N 3.23Å; S91-R93 PolarHBondContact O-N 2.98Å | ||
| 92 | G | 45.6 | Very low | 60.5 | Low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -68.5 | 36.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E90 | E90-G92 PolarHBondContact O-N 2.87Å; E90-G92 VanDerWaalsContact O-N 3.08Å |
| 93 | R | 48.3 | Very low | 58.7 | Low | 212 Ų | 212 | 125.9 Ų | 125.9 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -154.2 | 112.1 | -177.1 | -62.3 | -63 | 179.8 | 164.5 | 2.2 | 108.6 | S91 | S91-R93 PolarHBondContact O-N 2.98Š|
| 94 | R | 47.9 | Very low | 56.9 | Low | 241 Ų | 241 | 125.9 Ų | 125.9 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | 65.3 | 65.1 | 151.6 | -52.8 | 175.5 | 179.3 | 169.6 | -1.9 | 117.8 | ||||
| 95 | G | 51.2 | Low | 55.8 | Low | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | -72.7 | 149.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||
| 96 | P | 63 | Low | 54.9 | Low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.7 | 166.7 | 26.5 | -32.8 | 0 | 0 | 0 | 108.5 | ||
| 97 | P | 63.2 | Low | 54 | Low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.3 | 177 | 26.4 | -34.2 | 0 | 0 | 0 | 109.2 | ||
| 98 | P | 67.5 | Low | 53.5 | Low | 108 Ų | 108 | 137.9 Ų | 137.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.1 | 170.1 | 25 | -33.6 | 0 | 0 | 0 | 108 | ||
| 99 | P | 63.9 | Low | 53.6 | Low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 138 | 178.4 | 23.3 | -33.6 | 0 | 0 | 0 | 108 | R101 | P99-R101 PolarHBondContact O-N 2.73Š|
| 100 | P | 61.7 | Low | 53.3 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -54.9 | 109.7 | -174.5 | 22.4 | -33 | 0 | 0 | 0 | 107.6 | S102 | P100-S102 PolarHBondContact O-N 3.29Š| ||
| 101 | R | 52.5 | Low | 53.1 | Low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -52.5 | 111.9 | -177.5 | -65.1 | -177.5 | 78.5 | -169.8 | 7.2 | 105.7 | P99 R103 | P99-R101 PolarHBondContact O-N 2.73Å; R101-R103 VanDerWaalsContact C-N 3.31Å; R101-R103 PolarHBondContact O-N 2.74Å | ||
| 102 | S | 52.3 | Low | 53.2 | Low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -52.6 | 98.3 | -166.9 | -52.3 | 0 | 0 | 0 | 0 | 108.8 | P100 G104 | P100-S102 PolarHBondContact O-N 3.29Å; S102-G104 PolarHBondContact O-N 3.08Å | ||
| 103 | R | 50.8 | Low | 53.3 | Low | 244 Ų | 244 | 149 Ų | 149 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -60.6 | 111 | 171.9 | -179.9 | 176.3 | -81.2 | 173.1 | -6.5 | 102.3 | R101 | R101-R103 VanDerWaalsContact C-N 3.31Å; R101-R103 PolarHBondContact O-N 2.74Å | ||
| 104 | G | 51.5 | Low | 53.2 | Low | 52 Ų | 52 | 142.7 Ų | 142.7 | 54% | 0.536 | 81% | 0.805 | S | S | . | * | trans | -48.7 | 147.8 | -155.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S102 | S102-G104 PolarHBondContact O-N 3.08Š| ||
| 105 | P | 59.2 | Low | 53.3 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -45.2 | 129.3 | -167.6 | 19.7 | -33.4 | 0 | 0 | 0 | 109.7 | R107 | P105-R107 PolarHBondContact O-N 3.05Š| ||
| 106 | P | 56.8 | Low | 53.4 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -52.6 | 120.2 | -178.3 | 23.4 | -33 | 0 | 0 | 0 | 106.5 | G108 | P106-G108 PolarHBondContact O-N 2.84Š| ||
| 107 | R | 47.9 | Very low | 52.5 | Low | 247 Ų | 247 | 135.8 Ų | 135.8 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -47.1 | 106.9 | -167.2 | -107.2 | -178.7 | 173.3 | 165.1 | -2.7 | 108.2 | P105 L109 | P105-R107 PolarHBondContact O-N 3.05Å; R107-L109 PolarHBondContact O-N 2.66Å | ||
| 108 | G | 46.9 | Very low | 51.8 | Low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | -53.5 | 129.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P106 R110 | P106-G108 PolarHBondContact O-N 2.84Å; G108-R110 PolarHBondContact O-N 3.02Å | ||
| 109 | L | 52.3 | Low | 51.1 | Low | 179 Ų | 179 | 135.2 Ų | 135.2 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -49.3 | 100.9 | 178.6 | -68.4 | 158.9 | 0 | 0 | 0 | 108 | R107 G111 | R107-L109 PolarHBondContact O-N 2.66Å; L109-G111 PolarHBondContact O-N 2.75Å | ||
| 110 | R | 45 | Very low | 50.3 | Low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -68 | 109.6 | -175.8 | -170.2 | -179.6 | -169.3 | -164.3 | 2.7 | 106.6 | G108 G112 | G108-R110 PolarHBondContact O-N 3.02Å; R110-G112 PolarHBondContact O-N 2.85Å | ||
| 111 | G | 42.6 | Very low | 49.4 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -51.1 | 123.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112 | L109 | L109-G111 PolarHBondContact O-N 2.75Š| ||
| 112 | G | 46.6 | Very low | 49.7 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -131.3 | 75.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | R110 | R110-G112 PolarHBondContact O-N 2.85Š| ||
| 113 | R | 48.6 | Very low | 49.7 | Very low | 253 Ų | 253 | 134.6 Ų | 134.6 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -144.6 | 125.1 | 170.9 | -166.2 | 174.6 | -173.3 | -179.9 | 2 | 109.8 | ||||
| 114 | G | 45.7 | Very low | 49.7 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 92.4 | 127.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | G | 49.6 | Very low | 49.5 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | cis | 162.4 | 147.1 | -7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 116 | S | 53 | Low | 48.8 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 92% | 0.923 | 84% | 0.841 | S | S | * | * | trans | 74.9 | 137.2 | 161.3 | -51.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 117 | G | 45.6 | Very low | 48.1 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | 84.5 | 124.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 118 | G | 48.3 | Very low | 48.3 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | cis | 81.5 | 117 | 34.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 119 | T | 53 | Low | 48.6 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | cis | -159.7 | 142.1 | 16.5 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 120 | R | 45.7 | Very low | 48.4 | Very low | 251 Ų | 251 | 134 Ų | 134 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | 56.9 | 114 | 129.1 | -164.5 | -175.7 | -76.2 | 178.2 | -5.5 | 121.1 | |||||
| 121 | G | 44.1 | Very low | 48.6 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | 168.5 | 121.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 122 | P | 57.4 | Low | 48.9 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -108.1 | 175.9 | -169.4 | 41.1 | -35.4 | 0 | 0 | 0 | 116.7 | ||||
| 123 | P | 53.6 | Low | 48.8 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -106.6 | 174.2 | -161.5 | 40.8 | -36.1 | 0 | 0 | 0 | 117.5 | ||||
| 124 | S | 50.3 | Low | 48.8 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -168.9 | 158.2 | 173.5 | -81.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 125 | R | 48.5 | Very low | 48.8 | Very low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | cis | -177.2 | 130.2 | -17.9 | -175.8 | -173.7 | -155.3 | -169.1 | 7.4 | 109.4 | ||||
| 126 | G | 42.4 | Very low | 48.7 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 69.7 | 160 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 127 | G | 43.1 | Very low | 48.1 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | 136.8 | 112.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 128 | H | 52.3 | Low | 48.1 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -167.9 | 151 | 156.5 | -150.5 | -89.3 | 0 | 0 | 0 | 111.2 | ||||
| 129 | M | 52.4 | Low | 47.6 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 74% | 0.739 | 82% | 0.819 | S | S | * | * | trans | -125.9 | 173.1 | 175.3 | -78.9 | 170.8 | 145.6 | 0 | 0 | 110.5 | ||||
| 130 | D | 49.4 | Very low | 47.2 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 68.2 | 152.1 | 165.7 | -41.7 | -59.7 | 0 | 0 | 0 | 115.6 | ||||
| 131 | D | 48.8 | Very low | 46.9 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | cis | -152.3 | 164.7 | 5 | 173.8 | -124.3 | 0 | 0 | 0 | 110.6 | ||||
| 132 | G | 48.9 | Very low | 47 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | 89.3 | 137.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 133 | G | 44.5 | Very low | 46.9 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 150.6 | 63.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 134 | Y | 48.4 | Very low | 46.6 | Very low | 222 Ų | 222 | 144 Ų | 144 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -59.3 | 147.1 | 166.9 | 48.7 | -87.6 | 0 | 0 | 0 | 112.8 | ||||
| 135 | S | 45.6 | Very low | 46.2 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -178.3 | 142.3 | 131.3 | -167 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 136 | M | 47.8 | Very low | 46.3 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -98.6 | 157.9 | -179.6 | -74.1 | -75.1 | -179.3 | 0 | 0 | 112.2 | ||||
| 137 | N | 40.1 | Very low | 46.9 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 15.4 | 135.5 | 150.4 | -56.3 | 3 | 0 | 0 | 0 | 119.1 | ||||
| 138 | F | 46.4 | Very low | 47.6 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 97% | 0.969 | 79% | 0.791 | S | S | * | * | -152.7 | 145.3 | 116.3 | -98.3 | -66.1 | 0 | 0 | 0 | 112.5 | |||||
| 139 | N | 37.4 | Very low | 47.8 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 126.3 | -174.2 | 169.6 | 27.2 | 0 | 0 | 0 | 111 | ||||
| 140 | M | 43.5 | Very low | 47.7 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -149.3 | 104.8 | 163.6 | -101.1 | -63.6 | 157 | 0 | 0 | 112.6 | ||||
| 141 | S | 40.1 | Very low | 47.6 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | 43.7 | 102.9 | 135.6 | -54 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 142 | S | 45.8 | Very low | 48.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | -166.7 | 117.9 | 117.6 | -160.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 143 | S | 55.6 | Low | 49 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | 56.6 | 109.3 | 133.9 | -49.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 144 | R | 47.7 | Very low | 50.2 | Low | 246 Ų | 246 | 147.3 Ų | 147.3 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | 73.4 | 99.1 | 136.4 | -57.7 | 178 | -169.4 | -176.7 | 3.6 | 120.1 | ||||
| 145 | G | 42 | Very low | 50.9 | Low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | 77.9 | 109.6 | 105.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 146 | P | 49.9 | Very low | 51.3 | Low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -101 | 177.9 | -176.3 | 40.2 | -36.2 | 0 | 0 | 0 | 114.6 | ||||
| 147 | L | 56.3 | Low | 51.4 | Low | 161 Ų | 161 | 147.4 Ų | 147.4 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | 146.8 | 158.3 | 147.4 | -78.9 | 178.7 | 0 | 0 | 0 | 111.1 | ||||
| 148 | P | 56.3 | Low | 51.8 | Low | 111 Ų | 111 | 144.3 Ų | 144.3 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | -132 | 135.7 | -62.4 | 33.5 | -15.4 | 0 | 0 | 0 | 113.4 | |||||
| 149 | V | 57.8 | Low | 52.2 | Low | 145 Ų | 145 | 137.1 Ų | 137.1 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 141.4 | 171.3 | -75.2 | 0 | 0 | 0 | 0 | 112.6 | R151 | V149-R151 PolarHBondContact O-N 3.35Š| ||
| 150 | K | 49 | Very low | 53.8 | Low | 216 Ų | 216 | 136 Ų | 136 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -56.2 | 115.9 | -175.6 | -70.7 | 176.8 | 175 | 175 | 0 | 112.5 | ||||
| 151 | R | 48.1 | Very low | 55.2 | Low | 247 Ų | 247 | 133.5 Ų | 133.5 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 124.6 | 163.8 | -85.5 | -179.1 | 164.9 | 177.8 | -4.6 | 110.5 | V149 | V149-R151 PolarHBondContact O-N 3.35Š|
| 152 | G | 58.1 | Low | 56.6 | Low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 165.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 153 | P | 68.8 | Low | 57.2 | Low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 145 | -179.9 | 29 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 154 | P | 69.9 | Low | 56.9 | Low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 150.9 | 180 | 30.5 | -35.3 | 0 | 0 | 0 | 112.1 | R156 | P154-R156 PolarHBondContact O-N 2.84Š|
| 155 | P | 63.1 | Low | 57.2 | Low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.7 | 174.1 | 28.7 | -33.6 | 0 | 0 | 0 | 110.8 | S157 | P155-S157 PolarHBondContact O-N 2.81Å; P155-S157 VanDerWaalsContact O-N 3.13Å |
| 156 | R | 53.2 | Low | 57.8 | Low | 254 Ų | 254 | 141.6 Ų | 141.6 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -72.1 | 100.4 | 173.1 | -79.6 | -178.3 | 164.9 | -144.2 | -1.2 | 111 | P154 | P154-R156 PolarHBondContact O-N 2.84Š| ||
| 157 | S | 49.7 | Very low | 58.6 | Low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -92.6 | 92.1 | 158.2 | 43.3 | 0 | 0 | 0 | 0 | 109.7 | P155 | P155-S157 PolarHBondContact O-N 2.81Å; P155-S157 VanDerWaalsContact O-N 3.13Å | ||
| 158 | G | 48.2 | Very low | 58.5 | Low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -142.6 | 105.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | G | 56.6 | Low | 57.9 | Low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 164.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 160 | P | 71.1 | Confident | 58.1 | Low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.6 | 177.1 | 29.7 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 161 | P | 72.6 | Confident | 58.1 | Low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.4 | 174.2 | 29.1 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 162 | P | 68.8 | Low | 57.9 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145.1 | 177.9 | 28.6 | -34.2 | 0 | 0 | 0 | 111.7 | R164 | P162-R164 PolarHBondContact O-N 3.2Š|
| 163 | K | 57.5 | Low | 57.2 | Low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.8 | 173.9 | -65.6 | 178.4 | 178.2 | -179.8 | 0 | 109.6 | ||
| 164 | R | 50.6 | Low | 56.2 | Low | 250 Ų | 250 | 134.5 Ų | 134.5 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 128 | 175.2 | -157.3 | 169.8 | -175.5 | -118.7 | 2.3 | 109.9 | P162 | P162-R164 PolarHBondContact O-N 3.2Š|
| 165 | S | 53.4 | Low | 55.3 | Low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 149.5 | -171.9 | -47 | 0 | 0 | 0 | 0 | 113.4 | ||
| 166 | A | 53.8 | Low | 54.5 | Low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 145 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 167 | P | 68.1 | Low | 54.6 | Low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 135 | 165.4 | 32.4 | -30.6 | 0 | 0 | 0 | 111.1 | ||
| 168 | S | 54.1 | Low | 54.4 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.4 | 172.6 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 169 | G | 42.6 | Very low | 54.3 | Low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -78 | -169.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 170 | P | 62.8 | Low | 53.7 | Low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -128.6 | 145.5 | 138.9 | 36.3 | -28 | 0 | 0 | 0 | 112.8 | ||||
| 171 | V | 48.4 | Very low | 52.3 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -74.7 | 147.6 | 169.4 | 90 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 172 | R | 43.7 | Very low | 51.6 | Low | 247 Ų | 247 | 135.2 Ų | 135.2 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -155.9 | 125.4 | 153.8 | -111.5 | 169.9 | -161.4 | -85.2 | -0.8 | 110.6 | ||||
| 173 | S | 44.2 | Very low | 50.6 | Low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -99.6 | 135.4 | -177.5 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 174 | S | 48.1 | Very low | 50.4 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -177.6 | 104.4 | 154.3 | 45.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 175 | S | 50.5 | Low | 50.3 | Low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | 69.3 | 114.7 | 72.9 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 176 | G | 46 | Very low | 49.8 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | 105.5 | 116.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 177 | M | 55.7 | Low | 49.2 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 99% | 0.985 | 82% | 0.821 | S | S | * | * | trans | 63.7 | 132.3 | 149.8 | -49.4 | -166.2 | 179.8 | 0 | 0 | 116.3 | ||||
| 178 | G | 46.1 | Very low | 48.1 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | cis | 114.8 | 97.5 | 32.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 179 | G | 46 | Very low | 47.5 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -167.5 | 115.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | R | 44.7 | Very low | 47.5 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -76.9 | 154.1 | 178.2 | -69.2 | 173.5 | 170.3 | -176.9 | -4.1 | 110.7 | ||||
| 181 | A | 40.6 | Very low | 46.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 159 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 182 | P | 57.6 | Low | 46.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -110.1 | 128.9 | 146.6 | 33.9 | -26.5 | 0 | 0 | 0 | 111.3 | ||||
| 183 | V | 48.7 | Very low | 46.8 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -71.3 | 135.4 | 160.4 | -75.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | S | 51.7 | Low | 46.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -136.1 | 101.3 | 163.1 | -75.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 185 | R | 48.5 | Very low | 46.7 | Very low | 235 Ų | 235 | 137.7 Ų | 137.7 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | 88.8 | 111.4 | 63.8 | -175.9 | -166.5 | -61.5 | 177.8 | 1.4 | 110.6 | |||||
| 186 | G | 43.7 | Very low | 46.4 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 96.5 | 138.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 187 | R | 41.7 | Very low | 46.1 | Very low | 219 Ų | 219 | 146.6 Ų | 146.6 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | cis | -159.5 | 129.5 | -4.9 | -168.6 | 176.8 | -176.7 | -162.1 | 5.4 | 111.6 | ||||
| 188 | D | 45.1 | Very low | 45.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | trans | 20.2 | 120.9 | 150.2 | -29.8 | -36.6 | 0 | 0 | 0 | 119 | ||||
| 189 | S | 41.9 | Very low | 45.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 174.4 | 139.8 | 105.5 | -75.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 190 | Y | 42.3 | Very low | 45.9 | Very low | 239 Ų | 239 | 148 Ų | 148 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -73.3 | 157.2 | -176.9 | -61.5 | -101.9 | 0 | 0 | 0 | 114.7 | ||||
| 191 | G | 45.5 | Very low | 45.9 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 167.5 | 98.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 192 | G | 43.5 | Very low | 45.9 | Very low | 74 Ų | 74 | 146.7 Ų | 146.7 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 193 | P | 50.3 | Low | 45.2 | Very low | 131 Ų | 131 | 153 Ų | 153 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -90.2 | 161 | -167.5 | 36.5 | -37.3 | 0 | 0 | 0 | 114.7 | ||||
| 194 | P | 46 | Very low | 44.7 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -150 | 149.7 | 132 | 36.3 | -19.1 | 0 | 0 | 0 | 118.1 | ||||
| 195 | R | 45.3 | Very low | 44.3 | Very low | 228 Ų | 228 | 153.4 Ų | 153.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 47.6 | 128.4 | 136.3 | -65.1 | -176.6 | 173.6 | -122.5 | -1.9 | 124.2 | ||||
| 196 | R | 44.3 | Very low | 43.9 | Very low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | 37.4 | 120.1 | 133.1 | -82.4 | -175.6 | 172.2 | -177.7 | -3.1 | 121 | ||||
| 197 | E | 38.3 | Very low | 43.9 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | 43 | 132.7 | 122.4 | -74 | -80 | 135.8 | 0 | 0 | 119.7 | |||||
| 198 | P | 46 | Very low | 44 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -148.6 | 163.2 | 80.1 | 39.8 | -22.9 | 0 | 0 | 0 | 118.3 | |||||
| 199 | L | 45.2 | Very low | 43.9 | Very low | 150 Ų | 150 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 152.2 | 166.9 | -61.2 | 167.6 | 0 | 0 | 0 | 113.9 | ||||
| 200 | P | 53 | Low | 43.9 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -107.6 | 126.7 | 154.6 | 33.3 | -24.5 | 0 | 0 | 0 | 113.7 | ||||
| 201 | S | 45.2 | Very low | 43.8 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 64.2 | 93.9 | 124.8 | -151.2 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 202 | R | 40.5 | Very low | 43.8 | Very low | 206 Ų | 206 | 152.3 Ų | 152.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | 70.7 | 103.5 | 79.1 | -166.8 | -165.9 | -129.6 | -148.1 | 5.2 | 113.7 | |||||
| 203 | R | 42.7 | Very low | 43.4 | Very low | 250 Ų | 250 | 151.7 Ų | 151.7 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | trans | -145.4 | 124.7 | 142.8 | -113.8 | 175.9 | -177.2 | 167.1 | 1.4 | 109.7 | ||||
| 204 | D | 38.3 | Very low | 43 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | -84.9 | 137.7 | -166 | -44.7 | -110.6 | 0 | 0 | 0 | 111.5 | ||||
| 205 | V | 43.9 | Very low | 42.6 | Very low | 151 Ų | 151 | 154.7 Ų | 154.7 | 92% | 0.915 | 77% | 0.772 | S | S | * | * | trans | -137.5 | 127.2 | 145.2 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 206 | Y | 38.5 | Very low | 42.6 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -89.2 | 177 | -173.5 | -124.3 | -108.6 | 0 | 0 | 0 | 111.9 | ||||
| 207 | L | 45 | Very low | 42.7 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 83.1 | 138.2 | 171 | -51.6 | 149.7 | 0 | 0 | 0 | 115.7 | ||||
| 208 | S | 42.4 | Very low | 42.9 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | cis | -170.9 | 138.7 | -28.9 | -104.9 | 0 | 0 | 0 | 0 | 106.4 | R210 | S208-R210 PolarHBondContact O-N 3.24Š| ||
| 209 | P | 43.5 | Very low | 42.7 | Very low | 137 Ų | 137 | 144 Ų | 144 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -69.2 | 119.2 | 167.5 | -10.4 | 26.5 | 0 | 0 | 0 | 108.4 | ||||
| 210 | R | 42.2 | Very low | 42.5 | Very low | 210 Ų | 210 | 148 Ų | 148 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -119 | 117.9 | 168.2 | -83.8 | -166 | 172.5 | 178.4 | -1.4 | 111.4 | S208 | S208-R210 PolarHBondContact O-N 3.24Š| ||
| 211 | D | 39.5 | Very low | 41.9 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -63.2 | 123.4 | 156.3 | -143.5 | -91.2 | 0 | 0 | 0 | 107.8 | ||||
| 212 | D | 46.2 | Very low | 41.7 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | trans | -138.2 | 89.4 | 174.6 | -78.6 | -62.3 | 0 | 0 | 0 | 108.6 | ||||
| 213 | G | 35.1 | Very low | 41.7 | Very low | 62 Ų | 62 | 146.9 Ų | 146.9 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -89.7 | 131.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 214 | Y | 41.5 | Very low | 41.7 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | -138.9 | 93.1 | 163.2 | -62.6 | -81.8 | 0 | 0 | 0 | 107.1 | ||||
| 215 | S | 37.6 | Very low | 41.9 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 57.9 | 114.7 | 86.5 | -173.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 216 | T | 46.3 | Very low | 41.7 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | 166.9 | 113.1 | 122.6 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 217 | K | 45.4 | Very low | 41.4 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 63.8 | 155.1 | 155.5 | -63.9 | 175.8 | -177 | 177.1 | 0 | 117.8 | ||||
| 218 | D | 42.7 | Very low | 41 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | cis | -167.8 | 158.3 | -14.4 | -101.5 | -36 | 0 | 0 | 0 | 106.2 | ||||
| 219 | S | 41.8 | Very low | 41 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | cis | -170.3 | 169.5 | -22.9 | -108.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 220 | Y | 42.2 | Very low | 40.9 | Very low | 233 Ų | 233 | 145 Ų | 145 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | trans | 68.2 | 150.1 | 177.6 | -54.8 | -78.5 | 0 | 0 | 0 | 117 | ||||
| 221 | S | 39.3 | Very low | 41.1 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | cis | -159.1 | 114.6 | -21.7 | 179.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 222 | S | 40.5 | Very low | 41 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | 47.9 | 102.2 | 92.8 | -139.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 223 | R | 41.8 | Very low | 40.6 | Very low | 217 Ų | 217 | 144.3 Ų | 144.3 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | 164 | 129.4 | 103.5 | -85.7 | -176.7 | -178.2 | 153.9 | 1.2 | 115.3 | |||||
| 224 | D | 42.3 | Very low | 40.8 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 49.8 | 119.9 | 138.5 | -53 | -59 | 0 | 0 | 0 | 122.6 | ||||
| 225 | Y | 41.2 | Very low | 40.9 | Very low | 233 Ų | 233 | 147.6 Ų | 147.6 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | -167.4 | 134.3 | 118.5 | -111.5 | -73.4 | 0 | 0 | 0 | 112.4 | |||||
| 226 | P | 40.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -113 | 161.8 | 179.8 | 40 | -33.4 | 0 | 0 | 0 | 115.5 | ||||
| 227 | S | 32.6 | Very low | 42.3 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 59.3 | 114.1 | 145.2 | -169.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 228 | S | 36 | Very low | 42.6 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 62.5 | 106.4 | 132.9 | -45.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 229 | R | 42.9 | Very low | 42.8 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 173.4 | 144.6 | 151.3 | -92.3 | 165.8 | -163.5 | 175.4 | 3.8 | 105 | ||||
| 230 | D | 41.5 | Very low | 42.8 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | cis | -156.8 | 157.4 | 13 | -129.2 | -77.5 | 0 | 0 | 0 | 110.4 | ||||
| 231 | T | 45.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | 31.2 | 108.2 | 141.7 | -55.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 232 | R | 39 | Very low | 43.2 | Very low | 220 Ų | 220 | 151 Ų | 151 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | 58.7 | 142.6 | 89.2 | -75.1 | -163.6 | -176.8 | -170 | 2.9 | 116.7 | |||||
| 233 | D | 36.3 | Very low | 43.1 | Very low | 142 Ų | 142 | 155 Ų | 155 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 53.4 | 101.9 | 163.6 | -74.5 | -91.6 | 0 | 0 | 0 | 118.8 | ||||
| 234 | Y | 39.6 | Very low | 43.1 | Very low | 243 Ų | 243 | 152.5 Ų | 152.5 | 95% | 0.953 | 76% | 0.755 | S | S | * | * | trans | -145 | 90.7 | 160.3 | -113.8 | -80.6 | 0 | 0 | 0 | 113.8 | ||||
| 235 | A | 44.3 | Very low | 42.7 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -166.9 | 159.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 236 | P | 62.2 | Low | 42.8 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -103.6 | -161 | -57.1 | 36.9 | -22.5 | 0 | 0 | 0 | 109.5 | |||||
| 237 | P | 51.4 | Low | 42.6 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | -155.8 | -158 | 88.9 | 41.9 | -17.9 | 0 | 0 | 0 | 113.3 | |||||
| 238 | P | 51.3 | Low | 43 | Very low | 95 Ų | 95 | 150.7 Ų | 150.7 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | -138.3 | 173.9 | -83.5 | 45 | -28.1 | 0 | 0 | 0 | 116.8 | |||||
| 239 | R | 45.9 | Very low | 43.3 | Very low | 223 Ų | 223 | 151.1 Ų | 151.1 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | 73.9 | 148.9 | 163.4 | -42 | -177.4 | -169.7 | -170.8 | -0.3 | 114.4 | ||||
| 240 | D | 42 | Very low | 42.9 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | cis | -143.6 | -176.9 | 35.9 | -85.6 | -64.1 | 0 | 0 | 0 | 115.4 | ||||
| 241 | Y | 43.1 | Very low | 42.8 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 94.2 | 78.9 | 165.8 | -56.3 | -72.9 | 0 | 0 | 0 | 120.3 | ||||
| 242 | T | 48.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | 47.7 | 117.9 | 124 | 59.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 243 | Y | 38.4 | Very low | 42.7 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 160.5 | 128.5 | 88.5 | -164 | -122.5 | 0 | 0 | 0 | 114.1 | |||||
| 244 | R | 40.5 | Very low | 43.1 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | 59.2 | 99.4 | 161.8 | -73.4 | -171.5 | 174.6 | 153.6 | 1.2 | 120.8 | ||||
| 245 | D | 33.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -75.2 | 147.6 | 143.8 | -175 | -88.8 | 0 | 0 | 0 | 110.9 | G247 | D245-G247 PolarHBondContact OD1-N 3.3Š| ||
| 246 | Y | 43 | Very low | 43.3 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 65% | 0.651 | 74% | 0.739 | S | S | * | * | trans | -137.4 | 76.5 | 164.8 | -97.5 | -71.4 | 0 | 0 | 0 | 109.6 | H248 | Y246-H248 AromaticContact CD1-NE2 3.87Å; Y246-H248 PolarHBondContact O-N 2.9Å | ||
| 247 | G | 36.3 | Very low | 42.3 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | -63.9 | 113.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D245 | D245-G247 PolarHBondContact OD1-N 3.3Š| ||
| 248 | H | 42.9 | Very low | 41.8 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -101.3 | 113.9 | 166.4 | -86.7 | -68 | 0 | 0 | 0 | 111.1 | Y246 | Y246-H248 AromaticContact CD1-NE2 3.87Å; Y246-H248 PolarHBondContact O-N 2.9Å | ||
| 249 | S | 41.2 | Very low | 41.1 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -53.4 | 146.6 | -175 | -45.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 250 | S | 33.7 | Very low | 41 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -59.3 | 132.3 | 159.2 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 251 | S | 39.8 | Very low | 40.8 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | -168.4 | 117.4 | 155.4 | -157.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 252 | R | 39.3 | Very low | 40.8 | Very low | 221 Ų | 221 | 145.3 Ų | 145.3 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | 65 | 155 | 153.6 | -60.5 | 171.2 | -176.8 | 175.9 | -0.5 | 116.3 | ||||
| 253 | D | 43.4 | Very low | 40.4 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | cis | -129 | 168.5 | 14.2 | -82.2 | -75.2 | 0 | 0 | 0 | 113.5 | ||||
| 254 | D | 44.6 | Very low | 40.5 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -117.8 | 178.6 | -173.8 | -157.2 | -54.1 | 0 | 0 | 0 | 110.3 | ||||
| 255 | Y | 43 | Very low | 40.4 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 97.3 | 143.9 | 170.1 | -72.5 | -95.7 | 0 | 0 | 0 | 121.1 | ||||
| 256 | P | 45.8 | Very low | 40.5 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -139.6 | -171.2 | -145.8 | 44.2 | -24.4 | 0 | 0 | 0 | 116.6 | ||||
| 257 | S | 40.4 | Very low | 40.5 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 68.3 | 103.4 | 147.3 | -63.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 258 | R | 40.4 | Very low | 40.7 | Very low | 244 Ų | 244 | 152.3 Ų | 152.3 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 173 | 126.3 | 139.5 | -95.4 | 162 | -168 | -163.5 | 5.2 | 107.2 | ||||
| 259 | G | 38 | Very low | 40.6 | Very low | 63 Ų | 63 | 150.2 Ų | 150.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | cis | 102.4 | 62.6 | 5.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 260 | Y | 43.8 | Very low | 40.9 | Very low | 227 Ų | 227 | 153.9 Ų | 153.9 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -157.4 | 118.9 | 153.8 | -84.6 | -65.2 | 0 | 0 | 0 | 110.1 | ||||
| 261 | S | 38 | Very low | 41.3 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -89.6 | 134.8 | 159.1 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 262 | D | 41.4 | Very low | 41.5 | Very low | 159 Ų | 159 | 161.2 Ų | 161.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 179.3 | 152.3 | 132.4 | -101 | -43.5 | 0 | 0 | 0 | 113.7 | ||||
| 263 | R | 40.4 | Very low | 41.8 | Very low | 217 Ų | 217 | 155 Ų | 155 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 98.8 | 155.2 | -154.1 | 171.7 | -68.8 | -178.2 | -1.2 | 120 | ||||
| 264 | D | 40.2 | Very low | 41.9 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 12.7 | 124.3 | 136.8 | -50.1 | -91.9 | 0 | 0 | 0 | 119.5 | ||||
| 265 | G | 40.2 | Very low | 41.8 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -171 | 108.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 266 | Y | 35.6 | Very low | 42 | Very low | 234 Ų | 234 | 151.2 Ų | 151.2 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 133.1 | 176.3 | 36.1 | -89.6 | 0 | 0 | 0 | 113 | ||||
| 267 | G | 42.8 | Very low | 41.8 | Very low | 67 Ų | 67 | 152.1 Ų | 152.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -174.1 | 124.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 268 | R | 40.4 | Very low | 41.7 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | 54 | 138.1 | 55.9 | -89.8 | -83.3 | -158.8 | 155.9 | 6.6 | 112.4 | |||||
| 269 | D | 41.2 | Very low | 41.4 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 141.8 | 174.4 | -70.9 | -106.4 | 0 | 0 | 0 | 114.9 | ||||
| 270 | R | 47.3 | Very low | 41.5 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | cis | -154.1 | 121.2 | 20.3 | -127.2 | 162.1 | -72.9 | 165.9 | -6.4 | 110.9 | Y272 | R270-Y272 HydrophobicContact CB-CD2 4.14Å; R270-Y272 VanDerWaalsContact CD-CE2 3.41Å; R270-Y272 HydrophobicContact CG-CD2 3.59Å; R270-Y272 HydrophobicContact CG-CE2 3.64Å | ||
| 271 | D | 42.1 | Very low | 41.4 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 120 | 153.8 | -90.9 | -81.6 | 0 | 0 | 0 | 106.9 | ||||
| 272 | Y | 43.5 | Very low | 41.5 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -113.4 | 117.5 | 172.4 | -113.8 | -104.1 | 0 | 0 | 0 | 110.2 | R270 | R270-Y272 HydrophobicContact CB-CD2 4.14Å; R270-Y272 VanDerWaalsContact CD-CE2 3.41Å; R270-Y272 HydrophobicContact CG-CD2 3.59Å; R270-Y272 HydrophobicContact CG-CE2 3.64Å | ||
| 273 | S | 45.3 | Very low | 41.2 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -74.5 | 141.6 | 169.2 | -49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | D | 45.2 | Very low | 41.5 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -133 | 143.3 | 149 | -159.1 | -133.9 | 0 | 0 | 0 | 108.8 | ||||
| 275 | H | 43.8 | Very low | 41.3 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | trans | -99.7 | -167.3 | -168.9 | -60.9 | -96 | 0 | 0 | 0 | 109.2 | ||||
| 276 | P | 46.7 | Very low | 41.4 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -135.8 | 165.7 | -6.5 | 39.2 | -20.3 | 0 | 0 | 0 | 116.8 | ||||
| 277 | S | 40.2 | Very low | 41.5 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 31.4 | 121 | 138.2 | -52.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 278 | G | 38.4 | Very low | 41.5 | Very low | 86 Ų | 86 | 150.8 Ų | 150.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 96.8 | 125.5 | 131.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 279 | G | 35.6 | Very low | 41.5 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 168.1 | 56.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 280 | S | 38.9 | Very low | 41.4 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 117.2 | 166.1 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | Y | 43.1 | Very low | 41 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | trans | -125.3 | 124.2 | 167.5 | -90 | -81.8 | 0 | 0 | 0 | 112.4 | ||||
| 282 | R | 40 | Very low | 41.1 | Very low | 216 Ų | 216 | 144.8 Ų | 144.8 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -116 | 142.9 | 171.1 | -152.1 | -154.2 | 175.8 | 166.7 | 2.2 | 105.9 | ||||
| 283 | D | 35.3 | Very low | 41.1 | Very low | 107 Ų | 107 | 141 Ų | 141 | 57% | 0.572 | 79% | 0.785 | S | S | * | * | trans | 46.7 | 110.9 | 162.8 | -63.9 | -67.5 | 0 | 0 | 0 | 119.1 | Y285 | D283-Y285 HydrophobicContact CB-CE1 4.05Š| ||
| 284 | S | 44.7 | Very low | 41.4 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -140.4 | 142.9 | 146.5 | -84.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 285 | Y | 36.3 | Very low | 42 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 123.2 | -161.3 | 15.5 | -99.2 | 0 | 0 | 0 | 108.9 | D283 | D283-Y285 HydrophobicContact CB-CE1 4.05Š| ||
| 286 | E | 43 | Very low | 42.8 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -163.6 | 106.9 | 166.5 | -104.7 | 159.1 | 150.9 | 0 | 0 | 105.3 | ||||
| 287 | S | 36.8 | Very low | 43 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | 73.3 | 134.5 | 61.9 | -162.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 288 | Y | 42.9 | Very low | 43.4 | Very low | 227 Ų | 227 | 145.8 Ų | 145.8 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | 65.4 | 117.2 | -176.1 | -43.8 | -76.7 | 0 | 0 | 0 | 114.6 | ||||
| 289 | G | 40.7 | Very low | 44.2 | Very low | 79 Ų | 79 | 144.8 Ų | 144.8 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | cis | 116.7 | 90.4 | 9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 290 | N | 39.4 | Very low | 45.3 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -148.7 | 137 | 158 | -155.6 | -1.1 | 0 | 0 | 0 | 111.4 | ||||
| 291 | S | 38.7 | Very low | 46 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -112.5 | 135.6 | -162.7 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 292 | R | 44.2 | Very low | 46.8 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -177.8 | 144.9 | 143.2 | -95.4 | 141.3 | -157.5 | -112.2 | 3.5 | 111.7 | ||||
| 293 | S | 44 | Very low | 46.8 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 80.3 | 67.4 | 164 | -53.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 294 | A | 51.3 | Low | 47 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | 38.3 | 123.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 295 | P | 59 | Low | 46.8 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 148 | 149.5 | 36.5 | -28.5 | 0 | 0 | 0 | 112.3 | ||
| 296 | P | 59.9 | Low | 46.8 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 135.7 | 175.5 | 29.7 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 297 | T | 49.8 | Very low | 46.7 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 133.3 | -178.7 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 298 | R | 48.6 | Very low | 46.6 | Very low | 250 Ų | 250 | 134.1 Ų | 134.1 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -114.2 | 113.8 | 165.7 | -160 | 173.9 | -171.7 | -177.9 | 2.2 | 109.2 | ||||
| 299 | G | 56.7 | Low | 46.4 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 300 | P | 57.9 | Low | 46.2 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77 | 161 | -173.5 | 33.3 | -36.7 | 0 | 0 | 0 | 113 | ||
| 301 | P | 54.6 | Low | 46.2 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 129 | 175.4 | 32 | -32.6 | 0 | 0 | 0 | 111.4 | ||
| 302 | P | 59 | Low | 46.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.2 | 166.6 | 32.5 | -31.3 | 0 | 0 | 0 | 111.1 | ||
| 303 | S | 41.1 | Very low | 46.1 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -109.8 | 152.9 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 304 | Y | 38.7 | Very low | 45.8 | Very low | 239 Ų | 239 | 138.8 Ų | 138.8 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | 78.7 | 140.6 | 155.7 | -108.4 | -99.4 | 0 | 0 | 0 | 121 | ||||
| 305 | G | 40.6 | Very low | 45.4 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 87.1 | 135 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 306 | G | 36.3 | Very low | 44.5 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | 151.9 | 157.7 | 6.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | S | 41.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 70.1 | 117.4 | -170.9 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 308 | S | 34.1 | Very low | 43.4 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | 76.6 | 139.8 | 45.2 | -160.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 309 | R | 39.9 | Very low | 42.8 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 89.2 | 104 | 179.3 | -50.9 | -166.9 | -170 | -137.4 | 2.7 | 117.7 | ||||
| 310 | Y | 34.8 | Very low | 41.9 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 144.6 | 142.8 | -91.5 | -110.1 | 0 | 0 | 0 | 108.8 | ||||
| 311 | D | 40.7 | Very low | 40.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 154.9 | 147.1 | 166 | -79.8 | -29.1 | 0 | 0 | 0 | 105 | ||||
| 312 | D | 39 | Very low | 40.1 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | cis | -155.1 | 151.4 | -13.6 | -171.5 | -76.4 | 0 | 0 | 0 | 105.3 | S314 | D312-S314 PolarHBondContact OD1-N 3.27Å; D312-S314 PolarHBondContact OD1-OG 3.02Å | ||
| 313 | Y | 41.7 | Very low | 38.9 | Very low | 239 Ų | 239 | 135 Ų | 135 | 94% | 0.937 | 77% | 0.771 | S | S | * | * | trans | -154.3 | 82.2 | 152.7 | -103.2 | -63.1 | 0 | 0 | 0 | 111.2 | ||||
| 314 | S | 37.9 | Very low | 38.5 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -52.7 | 137.8 | 165.1 | -65.9 | 0 | 0 | 0 | 0 | 113.7 | D312 | D312-S314 PolarHBondContact OD1-N 3.27Å; D312-S314 PolarHBondContact OD1-OG 3.02Å | ||
| 315 | S | 41.6 | Very low | 38.4 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 171.4 | 135.8 | 113.1 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 316 | S | 40.8 | Very low | 38.1 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 67.9 | 137 | 164.8 | -58.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 317 | R | 42.7 | Very low | 38.1 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | cis | -158 | 146 | 2.6 | -148.8 | 81.8 | -155.9 | -170.7 | 4.8 | 110.8 | ||||
| 318 | D | 44.4 | Very low | 37.9 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 42.9 | 134.7 | 159.1 | -43.1 | -34.1 | 0 | 0 | 0 | 121 | ||||
| 319 | G | 35.6 | Very low | 38 | Very low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | cis | 156.8 | 95.9 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 320 | Y | 38.2 | Very low | 38.2 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 91% | 0.91 | 75% | 0.751 | S | S | * | * | trans | -149.2 | 114.5 | 167.2 | 11 | -90.2 | 0 | 0 | 0 | 111.1 | ||||
| 321 | G | 34.9 | Very low | 38.3 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | -157.8 | 154 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 322 | G | 39.5 | Very low | 38.1 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 110.1 | 88.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 323 | S | 33.9 | Very low | 38.2 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | cis | 74.6 | 89 | 36.3 | -168.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 324 | R | 33 | Very low | 38.3 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | trans | 77.4 | 160 | 141.2 | -79.3 | 152.1 | -114.7 | 168.7 | 2.9 | 119.4 | ||||
| 325 | D | 35.2 | Very low | 38.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 78 | 87.4 | 164.9 | -54 | -51.6 | 0 | 0 | 0 | 119.6 | ||||
| 326 | S | 35.9 | Very low | 38.3 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | 84.6 | 158.3 | 116.1 | -61.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 327 | Y | 36.3 | Very low | 38.5 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | 86 | 113.9 | 162.2 | -44.1 | -63 | 0 | 0 | 0 | 119.4 | ||||
| 328 | S | 35.1 | Very low | 38.2 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 83.9 | 101.5 | 131.7 | -60.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 329 | S | 37.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 70.7 | 97.7 | 115.1 | -54 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 330 | S | 43.3 | Very low | 38.2 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | -163.3 | 103.7 | 128.5 | -80.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 331 | R | 38 | Very low | 38.4 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | 55.9 | 102.2 | 99.3 | -71.4 | 179 | 168.5 | 178.1 | -4.6 | 111.9 | |||||
| 332 | S | 35.6 | Very low | 38.9 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | 66.3 | 134.8 | 39.2 | 92.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 333 | D | 40.7 | Very low | 39 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | 77.1 | 99.5 | 158.6 | -44.9 | -50.8 | 0 | 0 | 0 | 119.9 | Y335 | D333-Y335 HydrophobicContact CB-CD2 4.14Å; D333-Y335 HydrophobicContact CB-CE2 3.97Å | ||
| 334 | L | 44.3 | Very low | 39.2 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | trans | -120.6 | 103.2 | 140 | -95.7 | 165.5 | 0 | 0 | 0 | 109.4 | ||||
| 335 | Y | 37.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -53.8 | 146.5 | 170.9 | -77 | -113.4 | 0 | 0 | 0 | 110.1 | D333 | D333-Y335 HydrophobicContact CB-CD2 4.14Å; D333-Y335 HydrophobicContact CB-CE2 3.97Å | ||
| 336 | S | 42.6 | Very low | 40.3 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | -151.2 | 132.2 | 90.6 | -71.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 337 | S | 44.8 | Very low | 40.6 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -57.1 | 147.9 | 176.2 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 338 | G | 34.6 | Very low | 40.9 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -63.2 | 160.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 339 | R | 42.7 | Very low | 41.7 | Very low | 216 Ų | 216 | 145.3 Ų | 145.3 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -142.4 | 100.2 | 167.3 | -153.7 | -177 | -151.5 | -162.6 | 9.5 | 110.1 | R341 | R339-R341 PolarHBondContact O-N 3.34Š| ||
| 340 | D | 37.4 | Very low | 42.6 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -55.4 | 126.1 | 167.2 | -56.5 | -99.5 | 0 | 0 | 0 | 110.5 | ||||
| 341 | R | 43.6 | Very low | 42.9 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -158.6 | 104.3 | 145.3 | -124.9 | 176.4 | -90.2 | -161.8 | -6.8 | 113 | R339 | R339-R341 PolarHBondContact O-N 3.34Š| ||
| 342 | V | 45.2 | Very low | 43.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -23.8 | 139.6 | 156.4 | -79.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 343 | G | 41.5 | Very low | 44.2 | Very low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 92.9 | 147.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 344 | R | 38.3 | Very low | 44.5 | Very low | 205 Ų | 205 | 144.7 Ų | 144.7 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | cis | -166.6 | 137 | -5.4 | -165.6 | -170.2 | 169.6 | 178.3 | -4.8 | 107.6 | ||||
| 345 | Q | 44.5 | Very low | 44.5 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | 33.1 | 127.6 | 157.3 | 75.7 | -158 | 26.2 | 0 | 0 | 121 | ||||
| 346 | D | 45.5 | Very low | 44.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | 145.6 | 138.7 | 103.2 | -154.5 | -130.6 | 0 | 0 | 0 | 114.7 | |||||
| 347 | R | 43.8 | Very low | 44.6 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | 61.8 | 134.5 | 173.5 | -77.8 | 165 | -89.2 | 170.2 | -4.1 | 118.1 | ||||
| 348 | G | 42.4 | Very low | 45.7 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -161.9 | 173.3 | 4.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 349 | L | 51.4 | Low | 47 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 174.8 | -169.3 | -72.6 | 169.9 | 0 | 0 | 0 | 114.2 | ||||
| 350 | P | 56.3 | Low | 47.3 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -144 | 170.7 | 22.4 | 43.3 | -24.5 | 0 | 0 | 0 | 119.8 | ||||
| 351 | P | 50.3 | Low | 47.8 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -113.6 | 131.7 | 161.7 | 36.8 | -25.9 | 0 | 0 | 0 | 113.7 | ||||
| 352 | S | 48.4 | Very low | 47.6 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -174.6 | 168.8 | 161.6 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 353 | M | 52.6 | Low | 47.5 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 92.1 | -176.7 | -50.7 | 174.1 | -176.5 | 0 | 0 | 113.5 | ||||
| 354 | E | 46.5 | Very low | 47.6 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | cis | 82.3 | 128.1 | 37.5 | -147.7 | -157.1 | 162.1 | 0 | 0 | 115.2 | ||||
| 355 | R | 44.2 | Very low | 47.8 | Very low | 225 Ų | 225 | 144.5 Ų | 144.5 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 139.3 | 171.1 | -71.7 | 165.8 | -146.7 | -125 | -2.2 | 117.9 | ||||
| 356 | G | 40.4 | Very low | 47.8 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -177.9 | 156 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 357 | Y | 41.9 | Very low | 47.7 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.7 | 178 | -70.7 | -102.5 | 0 | 0 | 0 | 112.4 | ||
| 358 | P | 68 | Low | 47.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85 | 122.6 | 160.1 | 32.2 | -29 | 0 | 0 | 0 | 110.9 | ||
| 359 | P | 61.7 | Low | 48 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 158.2 | 169.8 | 34 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 360 | P | 50.5 | Low | 47.6 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 148.3 | 174.6 | 30.9 | -35 | 0 | 0 | 0 | 111.3 | ||
| 361 | R | 47.6 | Very low | 47.1 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -126.8 | 92.4 | 178.6 | -71.2 | -175.4 | 179.7 | -105 | 3.1 | 111.8 | ||||
| 362 | D | 38.6 | Very low | 47.4 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -96.5 | 117.5 | 154 | -77.4 | -71 | 0 | 0 | 0 | 108.7 | ||||
| 363 | S | 43.2 | Very low | 47.4 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -178.1 | 117.3 | 165 | -87.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 364 | Y | 44.4 | Very low | 47.3 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 44.4 | 110.3 | 141.3 | -44.3 | -67.2 | 0 | 0 | 0 | 119.4 | ||||
| 365 | S | 41.9 | Very low | 47.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | 83.7 | 133.1 | 85.4 | -63.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 366 | S | 44.1 | Very low | 47.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 65.6 | 155.5 | 164.7 | 28.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 367 | S | 43.5 | Very low | 48.1 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | cis | -177.6 | 134.5 | -30.7 | 52.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 368 | S | 45.5 | Very low | 48.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | 63.7 | 132.4 | 148.2 | -50.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 369 | R | 46.5 | Very low | 47.5 | Very low | 259 Ų | 259 | 134 Ų | 134 | 98% | 0.977 | 82% | 0.817 | S | S | * | * | 157.9 | 140.8 | 113.3 | -84.2 | 177.6 | -167.7 | -143.4 | 2.3 | 114.7 | |||||
| 370 | G | 42.7 | Very low | 47.1 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | 153.1 | 128.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 371 | A | 46.8 | Very low | 47.1 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -147.1 | -164.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 372 | P | 56.5 | Low | 47.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | cis | -145.7 | -174.1 | -2.4 | 33.9 | -8.6 | 0 | 0 | 0 | 118 | ||||
| 373 | R | 49.1 | Very low | 48.1 | Very low | 243 Ų | 243 | 134 Ų | 134 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | 127.4 | 128.5 | 139.7 | -69.6 | -166.9 | 171 | -162.5 | -2.2 | 120.6 | ||||
| 374 | G | 49.9 | Very low | 48.6 | Very low | 89 Ų | 89 | 141 Ų | 141 | 92% | 0.918 | 83% | 0.833 | S | S | * | * | trans | 76.4 | 141.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 375 | G | 48.2 | Very low | 48.9 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | cis | 127.1 | 130.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 376 | G | 47.3 | Very low | 49.3 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | cis | 170.7 | -173.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 377 | R | 52.4 | Low | 49.7 | Very low | 263 Ų | 263 | 131.7 Ų | 131.7 | 99% | 0.992 | 83% | 0.834 | S | S | * | * | trans | 95.4 | 136 | 172.8 | -65 | -172.8 | 168.5 | -147.4 | -2 | 121.4 | ||||
| 378 | G | 50 | Low | 50.2 | Low | 86 Ų | 86 | 138.9 Ų | 138.9 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | 94.8 | 133.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 379 | G | 47.9 | Very low | 50.6 | Low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | cis | 168.2 | 91.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 380 | S | 53 | Low | 51.1 | Low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | 40.1 | 153.6 | 145 | -56 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 381 | R | 50.9 | Low | 51.8 | Low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | 88.4 | 115 | 168.9 | -52.7 | 174 | -174.4 | -176.5 | 0.8 | 114.6 | ||||
| 382 | S | 52.9 | Low | 52.1 | Low | 103 Ų | 103 | 147.7 Ų | 147.7 | 72% | 0.72 | 85% | 0.845 | S | S | * | * | cis | 89.5 | 100.7 | 28.2 | 82.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 383 | D | 53.7 | Low | 51.8 | Low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | trans | 172.8 | 129.6 | 146.3 | -94.5 | -51.6 | 0 | 0 | 0 | 105.7 | ||||
| 384 | R | 52.4 | Low | 52 | Low | 244 Ų | 244 | 144.2 Ų | 144.2 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | cis | 81.8 | 93.4 | 30.4 | -164.6 | -172.7 | -111.8 | -176.2 | -1.4 | 115.1 | ||||
| 385 | G | 50.9 | Low | 52.1 | Low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | 117.6 | 140.2 | 140 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 386 | G | 50.3 | Low | 52.3 | Low | 81 Ų | 81 | 151.1 Ų | 151.1 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 77.8 | 131 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 387 | G | 53.7 | Low | 52.7 | Low | 70 Ų | 70 | 156.3 Ų | 156.3 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | cis | 98.3 | 112.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 388 | R | 53.2 | Low | 52.7 | Low | 254 Ų | 254 | 148.7 Ų | 148.7 | 96% | 0.958 | 83% | 0.832 | S | S | * | * | trans | 80.3 | 152.3 | -179.5 | -55.3 | 174.7 | 176.4 | -135.1 | -2.9 | 114.9 | ||||
| 389 | S | 54.1 | Low | 52.9 | Low | 87 Ų | 87 | 153.5 Ų | 153.5 | 61% | 0.608 | 83% | 0.828 | S | S | * | * | cis | 157.2 | 130.1 | -22.7 | 174.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 390 | R | 58.1 | Low | 53.3 | Low | 208 Ų | 208 | 160.3 Ų | 160.3 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | 70.7 | 144.3 | 179.5 | -46.4 | 160.1 | -153.9 | -163.4 | 0.8 | 112.5 | ||||
| 391 | Y | 56.9 | Low | 53.4 | Low | 290 Ų | 290 | 164.5 Ų | 164.5 | 100% | 1.137 | 84% | 0.838 | S | S | * | * | cis | -115.7 | 0 | 10.2 | -87.2 | -103 | 0 | 0 | 0 | 112.8 |
Retrieved 391 of 391 residues in 113.4 ms
(Link to these results)