| 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 | 39.3 | Very low | 72.6 | Confident | 236 Ų | 236 | 83.5 Ų | 83.5 | 100% | 1.163 | 45% | 0.452 | S | S | * | . | 0 | 150.6 | 0 | -76.9 | -61.3 | 176.8 | 0 | 0 | 109.3 | E3 | M1-E3 PolarHBondContact O-N 2.65Š| |||
| 2 | A | 57.1 | Low | 74.4 | Confident | 87 Ų | 87 | 76.5 Ų | 76.5 | 72% | 0.719 | 41% | 0.414 | S | S | * | . | trans | -84.1 | 102.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | E | 53.7 | Low | 75.9 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | trans | -62.7 | 140.8 | 178.4 | -69 | 164.6 | 101.6 | 0 | 0 | 111.4 | M1 | M1-E3 PolarHBondContact O-N 2.65Š| ||
| 4 | T | 63.1 | Low | 77.2 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | trans | -131.2 | 90.4 | -176.3 | 45.3 | 0 | 0 | 0 | 0 | 108.6 | Q6 Q83 | T4-Q6 PolarHBondContact O-N 2.77Å; T4-Q83 HydrophobicContact CG2-CB 4.02Å; T4-Q83 HydrophobicContact CG2-CG 3.62Å | ||
| 5 | D | 67.7 | Low | 78.2 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -45.8 | -26.7 | -171 | -67.7 | -82.1 | 0 | 0 | 0 | 115.3 | R86 | D5-R86 HydrophobicContact CB-CB 4.25Å; D5-R86 HydrophobicContact CB-CG 4.27Å; D5-R86 IonicContact OD1-CZ 3.14Å; D5-R86 IonicContact OD1-NE 2.83Å; D5-R86 PolarHBondContact OD1-NE 2.96Å; D5-R86 IonicContact OD1-NH2 2.77Å; D5-R86 PolarHBondContact OD1-NH2 3.11Å; D5-R86 WeakPolarHBondContact OD2-CG 3.23Å; D5-R86 IonicContact OD2-CZ 3.9Å; D5-R86 IonicContact OD2-NE 3.02Å; D5-R86 PolarHBondContact OD2-NE 2.79Å; D5-R86 IonicContact OD2-NH2 3.83Å |
| 6 | Q | 73.6 | Confident | 79.1 | Confident | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | trans | -129.2 | 95.6 | 175 | -147.8 | 83.8 | 76.6 | 0 | 0 | 111.9 | T4 G8 K9 Q83 | T4-Q6 PolarHBondContact O-N 2.77Å; Q6-G8 VanDerWaalsContact C-N 3.34Å; Q6-G8 PolarHBondContact O-N 3.45Å; Q6-K9 HydrophobicContact CB-CB 3.91Å; Q6-K9 HydrophobicContact CB-CD 4.47Å; Q6-K9 HydrophobicContact CG-CB 3.89Å; Q6-K9 HydrophobicContact CG-CD 4.44Å; Q6-K9 PolarHBondContact O-N 2.89Å; Q6-Q83 PolarHBondContact O-NE2 2.84Å | ||
| 7 | P | 77.1 | Confident | 79.8 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35.7 | -177.5 | 15.9 | -28.3 | 0 | 0 | 0 | 114.2 | K9 L59 Q83 | P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.39Å; P7-L59 HydrophobicContact CB-CD1 3.48Å; P7-L59 VanDerWaalsContact CB-CD1 3.48Å; P7-L59 HydrophobicContact CB-CD2 3.98Å; P7-L59 HydrophobicContact CB-CG 4.21Å; P7-L59 VanDerWaalsContact O-CD1 3.28Å; P7-L59 WeakPolarHBondContact O-CD1 3.28Å; P7-Q83 VanDerWaalsContact C-NE2 3.29Å; P7-Q83 PolarHBondContact O-NE2 2.55Å |
| 8 | G | 86.7 | Confident | 80.3 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q6 T55 F56 | Q6-G8 VanDerWaalsContact C-N 3.34Å; Q6-G8 PolarHBondContact O-N 3.45Å; G8-T55 CarbonylContact O-C 3.59Å; G8-T55 WeakPolarHBondContact O-CA 3.36Å; G8-F56 PolarHBondContact O-N 2.83Å |
| 9 | K | 93 | Very high | 80.8 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 16% | 0.161 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127 | -166.4 | -167.6 | -174.1 | 178.8 | -174.5 | 0 | 112.6 | Q6 P7 L54 Q83 A84 | Q6-K9 HydrophobicContact CB-CB 3.91Å; Q6-K9 HydrophobicContact CB-CD 4.47Å; Q6-K9 HydrophobicContact CG-CB 3.89Å; Q6-K9 HydrophobicContact CG-CD 4.44Å; Q6-K9 PolarHBondContact O-N 2.89Å; P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.39Å; K9-L54 CarbonylContact C-O 3.6Å; K9-L54 WeakPolarHBondContact CA-O 3.45Å; K9-Q83 PolarHBondContact O-NE2 3.1Å; K9-A84 HydrophobicContact CB-CB 4.04Å; K9-A84 HydrophobicContact CD-CB 3.88Å; K9-A84 HydrophobicContact CG-CB 3.68Å; K9-A84 VanDerWaalsContact O-CB 3.23Å; K9-A84 WeakPolarHBondContact O-CB 3.36Å; K9-A84 PolarHBondContact O-N 2.92Å |
| 10 | I | 93.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153.4 | 175.4 | 67.3 | 160.5 | 0 | 0 | 0 | 111.5 | I12 F28 F53 L54 F56 A62 V66 V81 K82 | I10-I12 HydrophobicContact CD1-CD1 3.92Å; I10-I12 HydrophobicContact CD1-CG1 3.83Å; I10-I12 HydrophobicContact CG1-CD1 4.46Å; I10-I12 HydrophobicContact CG1-CG1 4.32Å; I10-F28 HydrophobicContact CD1-CD1 3.72Å; I10-F28 HydrophobicContact CD1-CE1 3.6Å; I10-F28 HydrophobicContact CD1-CZ 4.42Å; I10-F53 WeakPolarHBondContact O-CA 3.49Å; I10-L54 HydrophobicContact CD1-CB 4.25Å; I10-L54 HydrophobicContact CD1-CD2 4.22Å; I10-L54 HydrophobicContact CG1-CB 3.83Å; I10-L54 HydrophobicContact CG1-CD2 4.12Å; I10-L54 WeakPolarHBondContact CG1-O 3.41Å; I10-L54 PolarHBondContact N-O 2.99Å; I10-L54 PolarHBondContact O-N 3.46Å; I10-F56 HydrophobicContact CD1-CE2 3.86Å; I10-F56 HydrophobicContact CG1-CE2 4.2Å; I10-F56 HydrophobicContact CG2-CD2 4.5Å; I10-F56 HydrophobicContact CG2-CE2 4.4Å; I10-A62 HydrophobicContact CG2-CB 4.04Å; I10-V66 HydrophobicContact CB-CG2 4.24Å; I10-V66 HydrophobicContact CG2-CG2 3.54Å; I10-V81 HydrophobicContact CD1-CG1 3.91Å; I10-K82 CarbonylContact C-O 3.58Å; I10-K82 WeakPolarHBondContact CA-O 3.26Å |
| 11 | F | 93.7 | Very high | 81.8 | Confident | 62 Ų | 62 | 73 Ų | 73 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132 | 169.8 | 167.8 | -91 | 0 | 0 | 0 | 108.6 | F51 F53 V81 K82 A84 | F11-F51 HydrophobicContact CD2-CD2 4.41Å; F11-F51 HydrophobicContact CE2-CB 3.82Å; F11-F51 AromaticContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CE2 4.46Å; F11-F51 AromaticContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; F11-F51 HydrophobicContact CZ-CG 4.41Å; F11-F53 HydrophobicContact CB-CD1 4.24Å; F11-F53 HydrophobicContact CB-CE1 4.14Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.71Å; F11-F53 HydrophobicContact CD2-CE1 3.71Å; F11-F53 AromaticContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CG-CE1 4.41Å; F11-V81 WeakPolarHBondContact O-CA 3.36Å; F11-K82 PolarHBondContact N-O 2.9Å; F11-K82 PolarHBondContact O-N 2.81Å; F11-A84 HydrophobicContact CB-CB 4.33Å |
| 12 | I | 94 | Very high | 84.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.9 | 179.1 | -53.3 | 157.7 | 0 | 0 | 0 | 107 | I10 L15 F28 F51 A52 L54 I79 V81 | I10-I12 HydrophobicContact CD1-CD1 3.92Å; I10-I12 HydrophobicContact CD1-CG1 3.83Å; I10-I12 HydrophobicContact CG1-CD1 4.46Å; I10-I12 HydrophobicContact CG1-CG1 4.32Å; I12-L15 HydrophobicContact CG2-CD1 4.2Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.52Å; I12-F28 HydrophobicContact CD1-CG 4.45Å; I12-F28 HydrophobicContact CD1-CZ 3.6Å; I12-F28 HydrophobicContact CG1-CE1 4.31Å; I12-F28 HydrophobicContact CG1-CE2 4.2Å; I12-F28 HydrophobicContact CG1-CZ 3.81Å; I12-F28 HydrophobicContact CG2-CE2 4.42Å; I12-F28 HydrophobicContact CG2-CZ 4.26Å; I12-F51 CarbonylContact O-C 3.5Å; I12-F51 WeakPolarHBondContact O-CA 3.23Å; I12-F51 WeakPolarHBondContact O-CB 3.44Å; I12-A52 PolarHBondContact N-O 3.36Å; I12-A52 PolarHBondContact O-N 2.85Å; I12-L54 HydrophobicContact CD1-CB 3.97Å; I12-L54 HydrophobicContact CD1-CD1 4.37Å; I12-I79 HydrophobicContact CG2-CB 4.5Å; I12-I79 HydrophobicContact CG2-CD1 4.26Å; I12-V81 HydrophobicContact CG1-CG1 4.44Å; I12-V81 HydrophobicContact CG2-CG2 4.38Å |
| 13 | G | 94.5 | Very high | 86 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 162.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G50 I79 K80 | G13-G50 CarbonylContact C-O 3.58Å; G13-I79 CarbonylContact O-C 3.54Å; G13-I79 WeakPolarHBondContact O-CA 3.49Å; G13-K80 PolarHBondContact N-O 3.15Å; G13-K80 PolarHBondContact O-N 2.85Å |
| 14 | G | 93.1 | Very high | 87.9 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 83.7 | 11.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G50 K77 | G14-G50 PolarHBondContact N-O 2.89Å; G14-K77 WeakPolarHBondContact O-CB 3.5Å |
| 15 | L | 93.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | trans | -63.3 | 151.4 | 176.2 | -62.4 | 177.9 | 0 | 0 | 0 | 111.3 | I12 T19 L24 G50 A52 L74 I79 | I12-L15 HydrophobicContact CG2-CD1 4.2Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4Å; L15-T19 HydrophobicContact CD2-CG2 4.5Å; L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CD2 3.99Å; L15-L24 HydrophobicContact CD2-CD2 3.77Å; L15-G50 PolarHBondContact N-O 3.07Å; L15-G50 WeakPolarHBondContact O-CA 3.46Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L15-L74 HydrophobicContact CD2-CD2 3.81Å; L15-I79 HydrophobicContact CD2-CG2 3.94Å | ||
| 16 | N | 92.1 | Very high | 90.6 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | trans | -78.2 | 158.3 | 174 | -155.7 | -5 | 0 | 0 | 0 | 110.9 | K18 T19 D75 K77 | N16-K18 PolarHBondContact O-N 2.99Å; N16-T19 WeakPolarHBondContact CB-OG1 3.43Å; N16-T19 PolarHBondContact N-OG1 3.46Å; N16-T19 VanDerWaalsContact N-OG1 3.15Å; N16-T19 WeakPolarHBondContact O-CB 3.28Å; N16-T19 PolarHBondContact O-N 3.29Å; N16-T19 PolarHBondContact O-OG1 2.91Å; N16-T19 VanDerWaalsContact O-OG1 3.1Å; N16-D75 HydrophobicContact CB-CB 3.53Å; N16-D75 PolarHBondContact ND2-O 3.11Å; N16-K77 HydrophobicContact CB-CD 3.97Å; N16-K77 PolarHBondContact OD1-NZ 2.74Å | ||
| 17 | I | 90.3 | Very high | 91.5 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 46% | 0.462 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -33.3 | -177.4 | -56.4 | 174.5 | 0 | 0 | 0 | 110.1 | K47 S48 | I17-K47 HydrophobicContact CG2-CB 3.98Å; I17-K47 HydrophobicContact CG2-CG 4.28Å; I17-S48 WeakPolarHBondContact O-CB 3.44Å; I17-S48 PolarHBondContact O-OG 3.05Å |
| 18 | K | 89.1 | Confident | 92.3 | Very high | 178 Ų | 178 | 56.5 Ų | 56.5 | 77% | 0.774 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.5 | 176.4 | -62.7 | -174.7 | 178.1 | -176.3 | 0 | 113.7 | N16 R20 | N16-K18 PolarHBondContact O-N 2.99Å; K18-R20 PolarHBondContact O-N 2.98Å |
| 19 | T | 89.2 | Confident | 92.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -59.2 | 134.4 | -174.9 | -42.3 | 0 | 0 | 0 | 0 | 111.1 | L15 N16 T23 L24 L39 L74 D75 | L15-T19 HydrophobicContact CD2-CG2 4.5Å; N16-T19 WeakPolarHBondContact CB-OG1 3.43Å; N16-T19 PolarHBondContact N-OG1 3.46Å; N16-T19 VanDerWaalsContact N-OG1 3.15Å; N16-T19 WeakPolarHBondContact O-CB 3.28Å; N16-T19 PolarHBondContact O-N 3.29Å; N16-T19 PolarHBondContact O-OG1 2.91Å; N16-T19 VanDerWaalsContact O-OG1 3.1Å; T19-T23 HydrophobicContact CG2-CG2 4.47Å; T19-L24 HydrophobicContact CG2-CD2 4.24Å; T19-L24 HydrophobicContact CG2-CG 4.44Å; T19-L39 WeakPolarHBondContact O-CD1 3.37Å; T19-L74 HydrophobicContact CG2-CD2 3.79Å; T19-D75 WeakPolarHBondContact CB-OD2 3.5Å; T19-D75 PolarHBondContact OG1-OD2 2.9Å | ||
| 20 | R | 90.7 | Very high | 92.5 | Very high | 174 Ų | 174 | 66.1 Ų | 66.1 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | trans | -111.7 | 163.7 | -178.2 | -64.1 | -174.1 | 178.1 | -169.5 | -0.2 | 111.9 | K18 K22 T23 L24 | K18-R20 PolarHBondContact O-N 2.98Å; R20-K22 VanDerWaalsContact C-N 3.26Å; R20-K22 PolarHBondContact O-N 3.28Å; R20-T23 WeakPolarHBondContact O-CB 3.28Å; R20-T23 PolarHBondContact O-N 3.25Å; R20-L24 PolarHBondContact O-N 2.89Å | ||
| 21 | Q | 92.4 | Very high | 92.5 | Very high | 88 Ų | 88 | 67.4 Ų | 67.4 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.4 | -38.3 | 175.9 | 168.1 | 166.8 | -15.7 | 0 | 0 | 113 | L24 Q25 V37 | Q21-L24 PolarHBondContact O-N 3.08Å; Q21-Q25 PolarHBondContact O-N 3.34Å; Q21-V37 HydrophobicContact CB-CG1 4.49Å; Q21-V37 HydrophobicContact CG-CB 3.87Å; Q21-V37 HydrophobicContact CG-CG1 3.9Å |
| 22 | K | 92.9 | Very high | 92.4 | Very high | 153 Ų | 153 | 65.2 Ų | 65.2 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57 | -53.4 | 176.8 | -69.5 | -164.4 | 174 | -168 | 0 | 111.5 | R20 L24 Q25 E26 | R20-K22 VanDerWaalsContact C-N 3.26Å; R20-K22 PolarHBondContact O-N 3.28Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 3.07Å; K22-Q25 CarbonylContact O-C 3.57Å; K22-Q25 WeakPolarHBondContact O-CA 3.48Å; K22-Q25 WeakPolarHBondContact O-CB 3.38Å; K22-Q25 PolarHBondContact O-N 3.27Å; K22-E26 VanDerWaalsContact C-CD 3.5Å; K22-E26 VanDerWaalsContact C-OE1 3.29Å; K22-E26 WeakPolarHBondContact CB-OE1 3.32Å; K22-E26 VanDerWaalsContact O-CD 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.42Å; K22-E26 PolarHBondContact O-N 3.29Å |
| 23 | T | 92.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53.7 | -41.1 | 175.6 | -39 | 0 | 0 | 0 | 0 | 113.1 | T19 R20 E26 I27 | T19-T23 HydrophobicContact CG2-CG2 4.47Å; R20-T23 WeakPolarHBondContact O-CB 3.28Å; R20-T23 PolarHBondContact O-N 3.25Å; T23-E26 WeakPolarHBondContact CA-OE2 3.25Å; T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CB 3.36Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.13Å; T23-I27 VanDerWaalsContact O-N 3.09Å |
| 24 | L | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 174.9 | -63.2 | 176.7 | 0 | 0 | 0 | 112.1 | L15 T19 R20 Q21 K22 F28 V37 L39 A52 L74 | L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CD2 3.99Å; L15-L24 HydrophobicContact CD2-CD2 3.77Å; T19-L24 HydrophobicContact CG2-CD2 4.24Å; T19-L24 HydrophobicContact CG2-CG 4.44Å; R20-L24 PolarHBondContact O-N 2.89Å; Q21-L24 PolarHBondContact O-N 3.08Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 3.07Å; L24-F28 HydrophobicContact CD2-CE2 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.5Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.11Å; L24-L39 HydrophobicContact CD1-CD1 4.23Å; L24-A52 HydrophobicContact CD1-CB 3.6Å; L24-L74 HydrophobicContact CD2-CD2 4.42Å |
| 25 | Q | 93.9 | Very high | 92.4 | Very high | 103 Ų | 103 | 70.3 Ų | 70.3 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 178.2 | -175 | 173.7 | -14.4 | 0 | 0 | 112.1 | Q21 K22 G29 V37 | Q21-Q25 PolarHBondContact O-N 3.34Å; K22-Q25 CarbonylContact O-C 3.57Å; K22-Q25 WeakPolarHBondContact O-CA 3.48Å; K22-Q25 WeakPolarHBondContact O-CB 3.38Å; K22-Q25 PolarHBondContact O-N 3.27Å; Q25-G29 VanDerWaalsContact O-CA 3.28Å; Q25-G29 WeakPolarHBondContact O-CA 3.29Å; Q25-G29 PolarHBondContact O-N 2.76Å; Q25-V37 HydrophobicContact CB-CG2 4.34Å |
| 26 | E | 93.4 | Very high | 92.4 | Very high | 120 Ų | 120 | 77.6 Ų | 77.6 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 176 | -70.2 | 146.5 | -152.8 | 0 | 0 | 112.1 | K22 T23 | K22-E26 VanDerWaalsContact C-CD 3.5Å; K22-E26 VanDerWaalsContact C-OE1 3.29Å; K22-E26 WeakPolarHBondContact CB-OE1 3.32Å; K22-E26 VanDerWaalsContact O-CD 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.42Å; K22-E26 PolarHBondContact O-N 3.29Å; T23-E26 WeakPolarHBondContact CA-OE2 3.25Å |
| 27 | I | 92.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.2 | -52 | -178.4 | -67.9 | 172.4 | 0 | 0 | 0 | 111.1 | T23 G29 R30 M69 L74 | T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CB 3.36Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.13Å; T23-I27 VanDerWaalsContact O-N 3.09Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.83Å; I27-R30 WeakPolarHBondContact O-CB 3.41Å; I27-R30 PolarHBondContact O-N 3.07Å; I27-M69 HydrophobicContact CG2-CE 3.45Å; I27-M69 VanDerWaalsContact CG2-CE 3.45Å; I27-M69 HydrophobicContact CG2-SD 4.13Å; I27-L74 HydrophobicContact CD1-CD1 3.39Å; I27-L74 HydrophobicContact CD1-CD2 4.48Å |
| 28 | F | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.3 | -19.8 | -178.2 | -74 | -90.8 | 0 | 0 | 0 | 112.8 | I10 I12 L24 R30 F31 L54 F56 A65 M69 I79 V81 | I10-F28 HydrophobicContact CD1-CD1 3.72Å; I10-F28 HydrophobicContact CD1-CE1 3.6Å; I10-F28 HydrophobicContact CD1-CZ 4.42Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.52Å; I12-F28 HydrophobicContact CD1-CG 4.45Å; I12-F28 HydrophobicContact CD1-CZ 3.6Å; I12-F28 HydrophobicContact CG1-CE1 4.31Å; I12-F28 HydrophobicContact CG1-CE2 4.2Å; I12-F28 HydrophobicContact CG1-CZ 3.81Å; I12-F28 HydrophobicContact CG2-CE2 4.42Å; I12-F28 HydrophobicContact CG2-CZ 4.26Å; L24-F28 HydrophobicContact CD2-CE2 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.5Å; F28-R30 PolarHBondContact O-N 3.26Å; F28-F31 PolarHBondContact O-N 2.93Å; F28-F31 VanDerWaalsContact O-N 3.15Å; F28-L54 HydrophobicContact CB-CD1 3.54Å; F28-L54 HydrophobicContact CD2-CD1 4.23Å; F28-L54 HydrophobicContact CG-CD1 3.87Å; F28-F56 HydrophobicContact CB-CZ 4.09Å; F28-F56 HydrophobicContact CD1-CZ 4.18Å; F28-F56 WeakPolarHBondContact O-CE1 3.44Å; F28-A65 HydrophobicContact CD1-CB 4.03Å; F28-A65 HydrophobicContact CE1-CB 4.31Å; F28-M69 HydrophobicContact CD1-CG 4.32Å; F28-M69 HydrophobicContact CE1-CB 3.81Å; F28-M69 HydrophobicContact CE1-CG 3.76Å; F28-M69 HydrophobicContact CZ-CB 3.96Å; F28-M69 HydrophobicContact CZ-CE 4.46Å; F28-M69 HydrophobicContact CZ-CG 4.1Å; F28-I79 HydrophobicContact CE2-CD1 4.48Å; F28-I79 HydrophobicContact CZ-CD1 4.14Å; F28-V81 HydrophobicContact CE1-CG1 4.28Å; F28-V81 HydrophobicContact CE1-CG2 4.32Å; F28-V81 HydrophobicContact CZ-CG2 4Å |
| 29 | G | 92.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 67.3 Ų | 67.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -62.4 | -22.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q25 I27 F31 G32 | Q25-G29 VanDerWaalsContact O-CA 3.28Å; Q25-G29 WeakPolarHBondContact O-CA 3.29Å; Q25-G29 PolarHBondContact O-N 2.76Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.83Å; G29-F31 PolarHBondContact O-N 3.05Å; G29-G32 PolarHBondContact O-N 2.92Å |
| 30 | R | 92.8 | Very high | 92.9 | Very high | 219 Ų | 219 | 69.8 Ų | 69.8 | 83% | 0.826 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -62 | -26.1 | 173.5 | -61.5 | -178.8 | 179.6 | -161.1 | -2.8 | 113.2 | I27 F28 | I27-R30 WeakPolarHBondContact O-CB 3.41Å; I27-R30 PolarHBondContact O-N 3.07Å; F28-R30 PolarHBondContact O-N 3.26Å |
| 31 | F | 92.3 | Very high | 93 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -86 | -18 | 180 | -64.2 | -85.4 | 0 | 0 | 0 | 113.6 | F28 G29 F56 D61 N64 A65 E68 M69 | F28-F31 PolarHBondContact O-N 2.93Å; F28-F31 VanDerWaalsContact O-N 3.15Å; G29-F31 PolarHBondContact O-N 3.05Å; F31-F56 HydrophobicContact CB-CE1 4.15Å; F31-F56 HydrophobicContact CB-CZ 4.21Å; F31-D61 WeakPolarHBondContact O-CB 3.44Å; F31-N64 HydrophobicContact CD1-CB 4.45Å; F31-A65 HydrophobicContact CB-CB 4.08Å; F31-A65 HydrophobicContact CD1-CB 4.06Å; F31-A65 HydrophobicContact CD2-CB 4.09Å; F31-A65 HydrophobicContact CG-CB 3.77Å; F31-E68 HydrophobicContact CE1-CB 3.67Å; F31-E68 VanDerWaalsContact CE1-CD 3.43Å; F31-E68 HydrophobicContact CE1-CG 4.06Å; F31-E68 WeakPolarHBondContact CE1-OE1 3.42Å; F31-E68 HydrophobicContact CZ-CB 3.95Å; F31-E68 HydrophobicContact CZ-CG 4.14Å; F31-E68 VanDerWaalsContact CZ-OE1 3.28Å; F31-E68 WeakPolarHBondContact CZ-OE1 3.37Å; F31-M69 HydrophobicContact CD2-CG 4.37Å; F31-M69 HydrophobicContact CE2-CG 3.41Å; F31-M69 VanDerWaalsContact CE2-CG 3.41Å; F31-M69 HydrophobicContact CE2-SD 3.64Å; F31-M69 HydrophobicContact CZ-CG 3.53Å; F31-M69 HydrophobicContact CZ-SD 3.74Å |
| 32 | G | 92.3 | Very high | 93 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 146.3 | 173.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | G29 V34 D61 | G29-G32 PolarHBondContact O-N 2.92Å; G32-V34 PolarHBondContact O-N 3.37Å; G32-V34 VanDerWaalsContact O-N 3.07Å; G32-D61 WeakPolarHBondContact CA-OD2 3.37Å |
| 33 | P | 93.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 70 Ų | 70 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | trans | -62.2 | 110.2 | -174.2 | 22.9 | -34.5 | 0 | 0 | 0 | 113.3 | R57 D61 | P33-R57 HydrophobicContact CB-CB 4.47Å; P33-R57 HydrophobicContact CB-CG 4.28Å; P33-R57 HydrophobicContact CG-CB 4.18Å; P33-R57 PolarHBondContact O-N 2.83Å; P33-D61 WeakPolarHBondContact CD-OD2 3.39Å | ||
| 34 | V | 94.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 76.4 Ų | 76.4 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.9 | 172 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | G32 V37 L54 F56 | G32-V34 PolarHBondContact O-N 3.37Å; G32-V34 VanDerWaalsContact O-N 3.07Å; V34-V37 HydrophobicContact CG1-CG2 3.63Å; V34-L54 HydrophobicContact CG1-CD1 3.97Å; V34-L54 HydrophobicContact CG1-CD2 3.92Å; V34-L54 HydrophobicContact CG1-CG 3.74Å; V34-L54 HydrophobicContact CG2-CD1 4.23Å; V34-L54 HydrophobicContact CG2-CD2 4.19Å; V34-F56 HydrophobicContact CG2-CD1 4.3Å; V34-F56 HydrophobicContact CG2-CE1 4.05Å |
| 35 | A | 93.2 | Very high | 92.4 | Very high | 58 Ų | 58 | 80 Ų | 80 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T55 R57 | A35-T55 WeakPolarHBondContact CA-O 3.36Å; A35-T55 HydrophobicContact CB-CG2 4.38Å; A35-T55 WeakPolarHBondContact CB-O 3.32Å; A35-T55 PolarHBondContact N-O 3.02Å; A35-R57 HydrophobicContact CB-CG 3.86Å |
| 36 | R | 92.9 | Very high | 92 | Very high | 163 Ų | 163 | 83 Ų | 83 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 139 | 178 | -166.6 | 175.4 | -177.8 | -171.3 | 3.1 | 111.3 | I38 L54 T55 | R36-I38 HydrophobicContact CG-CD1 4.45Å; R36-I38 HydrophobicContact CG-CG1 3.99Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.41Å; R36-T55 PolarHBondContact N-O 2.77Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 2.8Å |
| 37 | V | 94.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 83.2 Ų | 83.2 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.1 | 167.1 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | Q21 L24 Q25 V34 L54 | Q21-V37 HydrophobicContact CB-CG1 4.49Å; Q21-V37 HydrophobicContact CG-CB 3.87Å; Q21-V37 HydrophobicContact CG-CG1 3.9Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.11Å; Q25-V37 HydrophobicContact CB-CG2 4.34Å; V34-V37 HydrophobicContact CG1-CG2 3.63Å; V37-L54 HydrophobicContact CG2-CD1 3.92Å; V37-L54 HydrophobicContact CG2-CG 4.15Å |
| 38 | I | 92.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 82.1 Ų | 82.1 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 94.6 | 176.9 | -39 | 178.9 | 0 | 0 | 0 | 108.4 | R36 M40 A52 F53 | R36-I38 HydrophobicContact CG-CD1 4.45Å; R36-I38 HydrophobicContact CG-CG1 3.99Å; I38-M40 HydrophobicContact CB-CE 4.38Å; I38-M40 HydrophobicContact CG2-CE 3.45Å; I38-M40 VanDerWaalsContact CG2-CE 3.45Å; I38-A52 WeakPolarHBondContact O-CA 3.4Å; I38-F53 PolarHBondContact N-O 3.5Å; I38-F53 PolarHBondContact O-N 2.69Å |
| 39 | L | 93.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 89.5 Ų | 89.5 | 12% | 0.115 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.7 | 177.1 | -171.4 | 158.6 | 0 | 0 | 0 | 109.3 | T19 L24 R41 A52 | T19-L39 WeakPolarHBondContact O-CD1 3.37Å; L24-L39 HydrophobicContact CD1-CD1 4.23Å; L39-R41 HydrophobicContact CD2-CG 3.56Å; L39-R41 PolarHBondContact O-N 2.9Å; L39-A52 HydrophobicContact CB-CB 4.36Å; L39-A52 HydrophobicContact CG-CB 4.48Å |
| 40 | M | 91.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 88.7 Ų | 88.7 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 112.6 | -175.1 | -65.6 | -83.5 | 102.3 | 0 | 0 | 109.7 | I38 R49 F51 F53 | I38-M40 HydrophobicContact CB-CE 4.38Å; I38-M40 HydrophobicContact CG2-CE 3.45Å; I38-M40 VanDerWaalsContact CG2-CE 3.45Å; M40-R49 WeakPolarHBondContact O-CB 3.34Å; M40-R49 PolarHBondContact O-N 3.44Å; M40-F51 HydrophobicContact CB-CD2 3.88Å; M40-F51 HydrophobicContact CB-CE1 4.39Å; M40-F51 HydrophobicContact CB-CE2 3.67Å; M40-F51 HydrophobicContact CB-CG 4.36Å; M40-F51 HydrophobicContact CB-CZ 3.93Å; M40-F51 WeakPolarHBondContact CB-O 3.41Å; M40-F51 HydrophobicContact CG-CD2 3.71Å; M40-F51 HydrophobicContact CG-CE2 3.44Å; M40-F51 VanDerWaalsContact CG-CE2 3.44Å; M40-F51 HydrophobicContact CG-CZ 4.13Å; M40-F51 PolarHBondContact N-O 2.73Å; M40-F51 HydrophobicContact SD-CE2 4.31Å; M40-F53 HydrophobicContact CG-CD2 4.12Å; M40-F53 HydrophobicContact CG-CE2 4.16Å; M40-F53 HydrophobicContact SD-CD2 4.39Å; M40-F53 HydrophobicContact SD-CE2 4.27Å |
| 41 | R | 92.7 | Very high | 91.4 | Very high | 133 Ų | 133 | 80.4 Ų | 80.4 | 50% | 0.502 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 152.9 | 174.5 | -63.4 | -169 | 171.8 | 137.4 | 2.1 | 110.9 | L39 K47 | L39-R41 HydrophobicContact CD2-CG 3.56Å; L39-R41 PolarHBondContact O-N 2.9Å; R41-K47 WeakPolarHBondContact CA-O 3.28Å |
| 42 | D | 91.7 | Very high | 91.4 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | -69.9 | 147.6 | 161.4 | 174.7 | 31.9 | 0 | 0 | 0 | 109.5 | E44 T45 K46 K47 R49 | D42-E44 PolarHBondContact OD1-N 3.44Å; D42-T45 VanDerWaalsContact OD2-CB 3.26Å; D42-T45 WeakPolarHBondContact OD2-CB 3.42Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-N 3.21Å; D42-T45 PolarHBondContact OD2-OG1 3.06Å; D42-K46 WeakPolarHBondContact O-CA 3.48Å; D42-K47 PolarHBondContact N-O 3.41Å; D42-R49 HydrophobicContact CB-CG 4.34Å | ||
| 43 | R | 88.7 | Confident | 91.5 | Very high | 236 Ų | 236 | 80.1 Ų | 80.1 | 89% | 0.891 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -83.1 | -36.4 | -179.4 | -67.9 | -176.3 | 175.5 | -170.7 | -1.9 | 111.7 | ||
| 44 | E | 89.9 | Confident | 91.6 | Very high | 174 Ų | 174 | 77 Ų | 77 | 81% | 0.813 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -79.2 | -63.6 | -174.8 | -67.8 | 165 | -154.3 | 0 | 0 | 110.5 | D42 K46 | D42-E44 PolarHBondContact OD1-N 3.44Å; E44-K46 PolarHBondContact O-N 3.44Å |
| 45 | T | 88.4 | Confident | 91.5 | Very high | 75 Ų | 75 | 77.6 Ų | 77.6 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.4 | -8.5 | -178.1 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | D42 K47 | D42-T45 VanDerWaalsContact OD2-CB 3.26Å; D42-T45 WeakPolarHBondContact OD2-CB 3.42Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-N 3.21Å; D42-T45 PolarHBondContact OD2-OG1 3.06Å; T45-K47 PolarHBondContact O-N 3.15Å; T45-K47 WeakPolarHBondContact OG1-CB 3.48Å; T45-K47 PolarHBondContact OG1-N 3.25Å |
| 46 | K | 84.6 | Confident | 91.6 | Very high | 167 Ų | 167 | 75 Ų | 75 | 73% | 0.726 | 34% | 0.335 | S | S | * | . | trans | 57.2 | 6 | -171.2 | -59.6 | 173 | -176.6 | 170.7 | 0 | 114.7 | D42 E44 | D42-K46 WeakPolarHBondContact O-CA 3.48Å; E44-K46 PolarHBondContact O-N 3.44Å | ||
| 47 | K | 87.2 | Confident | 91.6 | Very high | 124 Ų | 124 | 76.7 Ų | 76.7 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | trans | -75.9 | 150.1 | -178.2 | -67.3 | 167.6 | -171.2 | 171.9 | 0 | 111.4 | I17 R41 D42 T45 | I17-K47 HydrophobicContact CG2-CB 3.98Å; I17-K47 HydrophobicContact CG2-CG 4.28Å; R41-K47 WeakPolarHBondContact CA-O 3.28Å; D42-K47 PolarHBondContact N-O 3.41Å; T45-K47 PolarHBondContact O-N 3.15Å; T45-K47 WeakPolarHBondContact OG1-CB 3.48Å; T45-K47 PolarHBondContact OG1-N 3.25Å | ||
| 48 | S | 89 | Confident | 91.5 | Very high | 16 Ų | 16 | 84.2 Ų | 84.2 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.4 | 174 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | I17 G50 | I17-S48 WeakPolarHBondContact O-CB 3.44Å; I17-S48 PolarHBondContact O-OG 3.05Å; S48-G50 PolarHBondContact O-N 3.28Å |
| 49 | R | 90.9 | Very high | 91.4 | Very high | 156 Ų | 156 | 85.3 Ų | 85.3 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 10.7 | -178.6 | -61.1 | -179.9 | 66.7 | -176.1 | 1.5 | 114.2 | M40 D42 F51 | M40-R49 WeakPolarHBondContact O-CB 3.34Å; M40-R49 PolarHBondContact O-N 3.44Å; D42-R49 HydrophobicContact CB-CG 4.34Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.86Å; R49-F51 HydrophobicContact CB-CE1 3.6Å; R49-F51 HydrophobicContact CB-CZ 4.47Å; R49-F51 VanDerWaalsContact O-CD1 3.32Å; R49-F51 WeakPolarHBondContact O-CD1 3.47Å; R49-F51 PolarHBondContact O-N 3.23Å |
| 50 | G | 91.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 87.4 Ų | 87.4 | 18% | 0.175 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.4 | 12.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G13 G14 L15 S48 | G13-G50 CarbonylContact C-O 3.58Å; G14-G50 PolarHBondContact N-O 2.89Å; L15-G50 PolarHBondContact N-O 3.07Å; L15-G50 WeakPolarHBondContact O-CA 3.46Å; S48-G50 PolarHBondContact O-N 3.28Å |
| 51 | F | 93.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 85.6 Ų | 85.6 | 20% | 0.197 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.4 | 173.7 | 67.5 | -84.7 | 0 | 0 | 0 | 114 | F11 I12 M40 R49 F53 | F11-F51 HydrophobicContact CD2-CD2 4.41Å; F11-F51 HydrophobicContact CE2-CB 3.82Å; F11-F51 AromaticContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CE2 4.46Å; F11-F51 AromaticContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; F11-F51 HydrophobicContact CZ-CG 4.41Å; I12-F51 CarbonylContact O-C 3.5Å; I12-F51 WeakPolarHBondContact O-CA 3.23Å; I12-F51 WeakPolarHBondContact O-CB 3.44Å; M40-F51 HydrophobicContact CB-CD2 3.88Å; M40-F51 HydrophobicContact CB-CE1 4.39Å; M40-F51 HydrophobicContact CB-CE2 3.67Å; M40-F51 HydrophobicContact CB-CG 4.36Å; M40-F51 HydrophobicContact CB-CZ 3.93Å; M40-F51 WeakPolarHBondContact CB-O 3.41Å; M40-F51 HydrophobicContact CG-CD2 3.71Å; M40-F51 HydrophobicContact CG-CE2 3.44Å; M40-F51 VanDerWaalsContact CG-CE2 3.44Å; M40-F51 HydrophobicContact CG-CZ 4.13Å; M40-F51 PolarHBondContact N-O 2.73Å; M40-F51 HydrophobicContact SD-CE2 4.31Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.86Å; R49-F51 HydrophobicContact CB-CE1 3.6Å; R49-F51 HydrophobicContact CB-CZ 4.47Å; R49-F51 VanDerWaalsContact O-CD1 3.32Å; R49-F51 WeakPolarHBondContact O-CD1 3.47Å; R49-F51 PolarHBondContact O-N 3.23Å; F51-F53 HydrophobicContact CD2-CE2 4.34Å; F51-F53 HydrophobicContact CE2-CE2 4.15Å |
| 52 | A | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I12 L15 L24 I38 L39 | I12-A52 PolarHBondContact N-O 3.36Å; I12-A52 PolarHBondContact O-N 2.85Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L24-A52 HydrophobicContact CD1-CB 3.6Å; I38-A52 WeakPolarHBondContact O-CA 3.4Å; L39-A52 HydrophobicContact CB-CB 4.36Å; L39-A52 HydrophobicContact CG-CB 4.48Å |
| 53 | F | 94.2 | Very high | 91.4 | Very high | 37 Ų | 37 | 82.4 Ų | 82.4 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.1 | 164 | -64.7 | -81.9 | 0 | 0 | 0 | 109.3 | I10 F11 I38 M40 F51 A84 | I10-F53 WeakPolarHBondContact O-CA 3.49Å; F11-F53 HydrophobicContact CB-CD1 4.24Å; F11-F53 HydrophobicContact CB-CE1 4.14Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.71Å; F11-F53 HydrophobicContact CD2-CE1 3.71Å; F11-F53 AromaticContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CG-CE1 4.41Å; I38-F53 PolarHBondContact N-O 3.5Å; I38-F53 PolarHBondContact O-N 2.69Å; M40-F53 HydrophobicContact CG-CD2 4.12Å; M40-F53 HydrophobicContact CG-CE2 4.16Å; M40-F53 HydrophobicContact SD-CD2 4.39Å; M40-F53 HydrophobicContact SD-CE2 4.27Å; F51-F53 HydrophobicContact CD2-CE2 4.34Å; F51-F53 HydrophobicContact CE2-CE2 4.15Å; F53-A84 HydrophobicContact CD1-CB 3.99Å; F53-A84 HydrophobicContact CE1-CB 4.18Å |
| 54 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.8 | 176 | -176.3 | 154.1 | 0 | 0 | 0 | 108.8 | K9 I10 I12 F28 V34 R36 V37 F56 | K9-L54 CarbonylContact C-O 3.6Å; K9-L54 WeakPolarHBondContact CA-O 3.45Å; I10-L54 HydrophobicContact CD1-CB 4.25Å; I10-L54 HydrophobicContact CD1-CD2 4.22Å; I10-L54 HydrophobicContact CG1-CB 3.83Å; I10-L54 HydrophobicContact CG1-CD2 4.12Å; I10-L54 WeakPolarHBondContact CG1-O 3.41Å; I10-L54 PolarHBondContact N-O 2.99Å; I10-L54 PolarHBondContact O-N 3.46Å; I12-L54 HydrophobicContact CD1-CB 3.97Å; I12-L54 HydrophobicContact CD1-CD1 4.37Å; F28-L54 HydrophobicContact CB-CD1 3.54Å; F28-L54 HydrophobicContact CD2-CD1 4.23Å; F28-L54 HydrophobicContact CG-CD1 3.87Å; V34-L54 HydrophobicContact CG1-CD1 3.97Å; V34-L54 HydrophobicContact CG1-CD2 3.92Å; V34-L54 HydrophobicContact CG1-CG 3.74Å; V34-L54 HydrophobicContact CG2-CD1 4.23Å; V34-L54 HydrophobicContact CG2-CD2 4.19Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.41Å; V37-L54 HydrophobicContact CG2-CD1 3.92Å; V37-L54 HydrophobicContact CG2-CG 4.15Å; L54-F56 HydrophobicContact CD2-CD1 4.25Å; L54-F56 HydrophobicContact CD2-CD2 3.52Å; L54-F56 HydrophobicContact CD2-CE1 4.1Å; L54-F56 HydrophobicContact CD2-CE2 3.37Å; L54-F56 HydrophobicContact CD2-CG 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.69Å |
| 55 | T | 93.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.4 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | G8 A35 R36 | G8-T55 CarbonylContact O-C 3.59Å; G8-T55 WeakPolarHBondContact O-CA 3.36Å; A35-T55 WeakPolarHBondContact CA-O 3.36Å; A35-T55 HydrophobicContact CB-CG2 4.38Å; A35-T55 WeakPolarHBondContact CB-O 3.32Å; A35-T55 PolarHBondContact N-O 3.02Å; R36-T55 PolarHBondContact N-O 2.77Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 2.8Å |
| 56 | F | 94.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 158.6 | 169.6 | -73.3 | -83.7 | 0 | 0 | 0 | 110.9 | G8 I10 F28 F31 V34 L54 R58 D61 A62 A65 | G8-F56 PolarHBondContact O-N 2.83Å; I10-F56 HydrophobicContact CD1-CE2 3.86Å; I10-F56 HydrophobicContact CG1-CE2 4.2Å; I10-F56 HydrophobicContact CG2-CD2 4.5Å; I10-F56 HydrophobicContact CG2-CE2 4.4Å; F28-F56 HydrophobicContact CB-CZ 4.09Å; F28-F56 HydrophobicContact CD1-CZ 4.18Å; F28-F56 WeakPolarHBondContact O-CE1 3.44Å; F31-F56 HydrophobicContact CB-CE1 4.15Å; F31-F56 HydrophobicContact CB-CZ 4.21Å; V34-F56 HydrophobicContact CG2-CD1 4.3Å; V34-F56 HydrophobicContact CG2-CE1 4.05Å; L54-F56 HydrophobicContact CD2-CD1 4.25Å; L54-F56 HydrophobicContact CD2-CD2 3.52Å; L54-F56 HydrophobicContact CD2-CE1 4.1Å; L54-F56 HydrophobicContact CD2-CE2 3.37Å; L54-F56 HydrophobicContact CD2-CG 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.69Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 WeakPolarHBondContact CB-O 3.43Å; F56-D61 HydrophobicContact CB-CB 4.47Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.4Å; F56-D61 HydrophobicContact CG-CB 4.25Å; F56-A62 HydrophobicContact CB-CB 4.28Å; F56-A62 VanDerWaalsContact CD2-CA 3.47Å; F56-A62 HydrophobicContact CD2-CB 3.65Å; F56-A62 HydrophobicContact CE2-CB 4.37Å; F56-A62 HydrophobicContact CG-CB 4.29Å; F56-A65 HydrophobicContact CE2-CB 3.77Å; F56-A65 HydrophobicContact CZ-CB 3.67Å |
| 57 | R | 92.8 | Very high | 92.4 | Very high | 198 Ų | 198 | 64.8 Ų | 64.8 | 75% | 0.747 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -70.7 | -23.7 | 168.8 | -68.6 | -170.3 | 178.2 | -176.7 | -3.5 | 112.9 | P33 A35 | P33-R57 HydrophobicContact CB-CB 4.47Å; P33-R57 HydrophobicContact CB-CG 4.28Å; P33-R57 HydrophobicContact CG-CB 4.18Å; P33-R57 PolarHBondContact O-N 2.83Å; A35-R57 HydrophobicContact CB-CG 3.86Å |
| 58 | R | 92.1 | Very high | 92.7 | Very high | 167 Ų | 167 | 64.8 Ų | 64.8 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | trans | -125.2 | 147.6 | -176.9 | -63.6 | 174.7 | 166.2 | -173.8 | -3.8 | 112.2 | F56 D61 A62 | F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 WeakPolarHBondContact CB-O 3.43Å; R58-D61 HydrophobicContact CB-CB 4.35Å; R58-D61 WeakPolarHBondContact CB-OD1 3.43Å; R58-D61 WeakPolarHBondContact CB-OD2 3.17Å; R58-D61 WeakPolarHBondContact CD-OD1 3.42Å; R58-A62 PolarHBondContact O-N 2.92Å | ||
| 59 | L | 91.4 | Very high | 92.9 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 175.1 | 173.1 | 54.3 | 0 | 0 | 0 | 113.1 | P7 K63 | P7-L59 HydrophobicContact CB-CD1 3.48Å; P7-L59 VanDerWaalsContact CB-CD1 3.48Å; P7-L59 HydrophobicContact CB-CD2 3.98Å; P7-L59 HydrophobicContact CB-CG 4.21Å; P7-L59 VanDerWaalsContact O-CD1 3.28Å; P7-L59 WeakPolarHBondContact O-CD1 3.28Å; L59-K63 HydrophobicContact CD1-CD 3.99Å; L59-K63 HydrophobicContact CD1-CG 4.11Å; L59-K63 HydrophobicContact CG-CD 4.24Å; L59-K63 WeakPolarHBondContact O-CG 3.44Å; L59-K63 PolarHBondContact O-N 2.8Å; L59-K63 VanDerWaalsContact O-N 3.07Å |
| 60 | A | 92.2 | Very high | 93 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 55% | 0.554 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -53.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A62 K63 N64 | A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 3.5Å; A60-K63 PolarHBondContact O-N 2.9Å; A60-K63 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-N 2.86Å |
| 61 | D | 93.2 | Very high | 93 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.6 | -46.3 | 177.6 | -44.8 | 12.8 | 0 | 0 | 0 | 111 | F31 G32 P33 F56 R58 K63 N64 A65 | F31-D61 WeakPolarHBondContact O-CB 3.44Å; G32-D61 WeakPolarHBondContact CA-OD2 3.37Å; P33-D61 WeakPolarHBondContact CD-OD2 3.39Å; F56-D61 HydrophobicContact CB-CB 4.47Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.4Å; F56-D61 HydrophobicContact CG-CB 4.25Å; R58-D61 HydrophobicContact CB-CB 4.35Å; R58-D61 WeakPolarHBondContact CB-OD1 3.43Å; R58-D61 WeakPolarHBondContact CB-OD2 3.17Å; R58-D61 WeakPolarHBondContact CD-OD1 3.42Å; D61-K63 PolarHBondContact O-N 3.43Å; D61-N64 PolarHBondContact O-N 2.78Å; D61-A65 WeakPolarHBondContact O-CB 3.46Å; D61-A65 PolarHBondContact O-N 3.32Å |
| 62 | A | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I10 F56 R58 A60 N64 V66 | I10-A62 HydrophobicContact CG2-CB 4.04Å; F56-A62 HydrophobicContact CB-CB 4.28Å; F56-A62 VanDerWaalsContact CD2-CA 3.47Å; F56-A62 HydrophobicContact CD2-CB 3.65Å; F56-A62 HydrophobicContact CE2-CB 4.37Å; F56-A62 HydrophobicContact CG-CB 4.29Å; R58-A62 PolarHBondContact O-N 2.92Å; A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 3.5Å; A62-N64 VanDerWaalsContact C-N 3.34Å; A62-V66 VanDerWaalsContact O-CG2 3.25Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 2.85Å |
| 63 | K | 92.2 | Very high | 92.9 | Very high | 117 Ų | 117 | 69 Ų | 69 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.4 | -77 | 173.6 | 174.5 | 176.4 | 0 | 112.3 | L59 A60 D61 K67 | L59-K63 HydrophobicContact CD1-CD 3.99Å; L59-K63 HydrophobicContact CD1-CG 4.11Å; L59-K63 HydrophobicContact CG-CD 4.24Å; L59-K63 WeakPolarHBondContact O-CG 3.44Å; L59-K63 PolarHBondContact O-N 2.8Å; L59-K63 VanDerWaalsContact O-N 3.07Å; A60-K63 PolarHBondContact O-N 2.9Å; A60-K63 VanDerWaalsContact O-N 3.08Å; D61-K63 PolarHBondContact O-N 3.43Å; K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.4Å |
| 64 | N | 92.9 | Very high | 92.6 | Very high | 78 Ų | 78 | 68.3 Ų | 68.3 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.4 | -47.5 | 177.7 | -157.5 | 50.6 | 0 | 0 | 0 | 111.2 | F31 A60 D61 A62 V66 K67 E68 | F31-N64 HydrophobicContact CD1-CB 4.45Å; A60-N64 PolarHBondContact O-N 2.86Å; D61-N64 PolarHBondContact O-N 2.78Å; A62-N64 VanDerWaalsContact C-N 3.34Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.23Å; N64-K67 WeakPolarHBondContact O-CB 3.43Å; N64-K67 PolarHBondContact O-N 2.83Å; N64-E68 PolarHBondContact O-N 2.79Å |
| 65 | A | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.4 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F28 F31 F56 D61 K67 M69 | F28-A65 HydrophobicContact CD1-CB 4.03Å; F28-A65 HydrophobicContact CE1-CB 4.31Å; F31-A65 HydrophobicContact CB-CB 4.08Å; F31-A65 HydrophobicContact CD1-CB 4.06Å; F31-A65 HydrophobicContact CD2-CB 4.09Å; F31-A65 HydrophobicContact CG-CB 3.77Å; F56-A65 HydrophobicContact CE2-CB 3.77Å; F56-A65 HydrophobicContact CZ-CB 3.67Å; D61-A65 WeakPolarHBondContact O-CB 3.46Å; D61-A65 PolarHBondContact O-N 3.32Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-M69 VanDerWaalsContact O-CB 3.29Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å |
| 66 | V | 93.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 73.4 Ų | 73.4 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -32.1 | 174 | 169.8 | 0 | 0 | 0 | 0 | 112.5 | I10 A62 N64 N70 V81 | I10-V66 HydrophobicContact CB-CG2 4.24Å; I10-V66 HydrophobicContact CG2-CG2 3.54Å; A62-V66 VanDerWaalsContact O-CG2 3.25Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 2.85Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.23Å; V66-N70 VanDerWaalsContact O-CB 3.23Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-V81 HydrophobicContact CB-CG1 4.5Å; V66-V81 HydrophobicContact CG2-CG1 4.02Å |
| 67 | K | 92.8 | Very high | 92.1 | Very high | 172 Ų | 172 | 77.5 Ų | 77.5 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -75.4 | -49.8 | 176.8 | -73.5 | 178.2 | 173 | -171.5 | 0 | 111.9 | K63 N64 A65 | K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.4Å; N64-K67 WeakPolarHBondContact O-CB 3.43Å; N64-K67 PolarHBondContact O-N 2.83Å; A65-K67 VanDerWaalsContact C-N 3.33Å |
| 68 | E | 93.1 | Very high | 92.1 | Very high | 123 Ų | 123 | 77 Ų | 77 | 58% | 0.575 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -83.3 | -40.8 | -168.9 | -161.5 | 177.8 | 116.8 | 0 | 0 | 113 | F31 N64 N70 | F31-E68 HydrophobicContact CE1-CB 3.67Å; F31-E68 VanDerWaalsContact CE1-CD 3.43Å; F31-E68 HydrophobicContact CE1-CG 4.06Å; F31-E68 WeakPolarHBondContact CE1-OE1 3.42Å; F31-E68 HydrophobicContact CZ-CB 3.95Å; F31-E68 HydrophobicContact CZ-CG 4.14Å; F31-E68 VanDerWaalsContact CZ-OE1 3.28Å; F31-E68 WeakPolarHBondContact CZ-OE1 3.37Å; N64-E68 PolarHBondContact O-N 2.79Å; E68-N70 PolarHBondContact O-N 3.04Å |
| 69 | M | 92.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -83.8 | -6.5 | -176.3 | -64.8 | -61.7 | -54.4 | 0 | 0 | 114.3 | I27 F28 F31 A65 G71 V72 I79 V81 | I27-M69 HydrophobicContact CG2-CE 3.45Å; I27-M69 VanDerWaalsContact CG2-CE 3.45Å; I27-M69 HydrophobicContact CG2-SD 4.13Å; F28-M69 HydrophobicContact CD1-CG 4.32Å; F28-M69 HydrophobicContact CE1-CB 3.81Å; F28-M69 HydrophobicContact CE1-CG 3.76Å; F28-M69 HydrophobicContact CZ-CB 3.96Å; F28-M69 HydrophobicContact CZ-CE 4.46Å; F28-M69 HydrophobicContact CZ-CG 4.1Å; F31-M69 HydrophobicContact CD2-CG 4.37Å; F31-M69 HydrophobicContact CE2-CG 3.41Å; F31-M69 VanDerWaalsContact CE2-CG 3.41Å; F31-M69 HydrophobicContact CE2-SD 3.64Å; F31-M69 HydrophobicContact CZ-CG 3.53Å; F31-M69 HydrophobicContact CZ-SD 3.74Å; A65-M69 VanDerWaalsContact O-CB 3.29Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å; M69-G71 PolarHBondContact O-N 3.09Å; M69-V72 HydrophobicContact CE-CB 4.01Å; M69-V72 HydrophobicContact CE-CG1 3.87Å; M69-V72 HydrophobicContact CE-CG2 4.12Å; M69-V72 PolarHBondContact O-N 2.94Å; M69-V72 HydrophobicContact SD-CG2 4.27Å; M69-I79 HydrophobicContact CB-CD1 4.49Å; M69-I79 HydrophobicContact CE-CD1 3.96Å; M69-I79 WeakPolarHBondContact O-CG1 3.36Å; M69-V81 HydrophobicContact CB-CG2 3.85Å; M69-V81 WeakPolarHBondContact O-CG2 3.32Å |
| 70 | N | 93.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 104.2 | -177.2 | 177.6 | 57.4 | 0 | 0 | 0 | 111.7 | V66 E68 V81 | V66-N70 VanDerWaalsContact O-CB 3.23Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; E68-N70 PolarHBondContact O-N 3.04Å; N70-V81 HydrophobicContact CB-CB 4.11Å; N70-V81 PolarHBondContact OD1-N 2.86Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 2.8Å |
| 71 | G | 91.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 69 Ų | 69 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.5 | -15.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M69 I79 | M69-G71 PolarHBondContact O-N 3.09Å; G71-I79 WeakPolarHBondContact CA-O 3.37Å; G71-I79 PolarHBondContact N-O 2.96Å |
| 72 | V | 92.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 74.5 Ų | 74.5 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | trans | -57 | 143.1 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | M69 R78 I79 | M69-V72 HydrophobicContact CE-CB 4.01Å; M69-V72 HydrophobicContact CE-CG1 3.87Å; M69-V72 HydrophobicContact CE-CG2 4.12Å; M69-V72 PolarHBondContact O-N 2.94Å; M69-V72 HydrophobicContact SD-CG2 4.27Å; V72-R78 WeakPolarHBondContact O-CA 3.37Å; V72-I79 HydrophobicContact CB-CG1 4.4Å; V72-I79 WeakPolarHBondContact O-CG1 3.44Å; V72-I79 PolarHBondContact O-N 2.76Å | ||
| 73 | I | 92.3 | Very high | 92.4 | Very high | 121 Ų | 121 | 76.4 Ų | 76.4 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.1 | 176.9 | -59.1 | 175.4 | 0 | 0 | 0 | 109.2 | K77 R78 | I73-K77 WeakPolarHBondContact CA-O 3.43Å; I73-R78 HydrophobicContact CG1-CB 4.4Å |
| 74 | L | 89.2 | Confident | 92.2 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.5 | 177.5 | -176 | 68 | 0 | 0 | 0 | 109.6 | L15 T19 L24 I27 G76 K77 I79 | L15-L74 HydrophobicContact CD2-CD2 3.81Å; T19-L74 HydrophobicContact CG2-CD2 3.79Å; L24-L74 HydrophobicContact CD2-CD2 4.42Å; I27-L74 HydrophobicContact CD1-CD1 3.39Å; I27-L74 HydrophobicContact CD1-CD2 4.48Å; L74-G76 PolarHBondContact O-N 3.09Å; L74-G76 VanDerWaalsContact O-N 3.09Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.86Å; L74-K77 VanDerWaalsContact O-O 3.12Å; L74-I79 HydrophobicContact CB-CG2 3.74Å; L74-I79 HydrophobicContact CD2-CG2 4.36Å |
| 75 | D | 88 | Confident | 91.8 | Very high | 79 Ų | 79 | 76.2 Ų | 76.2 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 36.6 | -178.3 | -60.7 | -40.4 | 0 | 0 | 0 | 113.1 | N16 T19 | N16-D75 HydrophobicContact CB-CB 3.53Å; N16-D75 PolarHBondContact ND2-O 3.11Å; T19-D75 WeakPolarHBondContact CB-OD2 3.5Å; T19-D75 PolarHBondContact OG1-OD2 2.9Å |
| 76 | G | 90.1 | Very high | 90.9 | Very high | 70 Ų | 70 | 84 Ų | 84 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L74 | L74-G76 PolarHBondContact O-N 3.09Å; L74-G76 VanDerWaalsContact O-N 3.09Å |
| 77 | K | 91.9 | Very high | 89.6 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | -178.1 | -69.7 | 177.1 | 178 | 168.1 | 0 | 112.4 | G14 N16 I73 L74 I79 | G14-K77 WeakPolarHBondContact O-CB 3.5Å; N16-K77 HydrophobicContact CB-CD 3.97Å; N16-K77 PolarHBondContact OD1-NZ 2.74Å; I73-K77 WeakPolarHBondContact CA-O 3.43Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.86Å; L74-K77 VanDerWaalsContact O-O 3.12Å; K77-I79 PolarHBondContact O-N 2.91Å |
| 78 | R | 93.9 | Very high | 87.8 | Confident | 188 Ų | 188 | 83.6 Ų | 83.6 | 71% | 0.709 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118.9 | 176.9 | 63.5 | -177.3 | 74.4 | -179.6 | 3 | 111.1 | V72 I73 | V72-R78 WeakPolarHBondContact O-CA 3.37Å; I73-R78 HydrophobicContact CG1-CB 4.4Å |
| 79 | I | 95.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | trans | -86.5 | 145.1 | -179.2 | 77 | 177.1 | 0 | 0 | 0 | 110.7 | I12 G13 L15 F28 M69 G71 V72 L74 K77 V81 | I12-I79 HydrophobicContact CG2-CB 4.5Å; I12-I79 HydrophobicContact CG2-CD1 4.26Å; G13-I79 CarbonylContact O-C 3.54Å; G13-I79 WeakPolarHBondContact O-CA 3.49Å; L15-I79 HydrophobicContact CD2-CG2 3.94Å; F28-I79 HydrophobicContact CE2-CD1 4.48Å; F28-I79 HydrophobicContact CZ-CD1 4.14Å; M69-I79 HydrophobicContact CB-CD1 4.49Å; M69-I79 HydrophobicContact CE-CD1 3.96Å; M69-I79 WeakPolarHBondContact O-CG1 3.36Å; G71-I79 WeakPolarHBondContact CA-O 3.37Å; G71-I79 PolarHBondContact N-O 2.96Å; V72-I79 HydrophobicContact CB-CG1 4.4Å; V72-I79 WeakPolarHBondContact O-CG1 3.44Å; V72-I79 PolarHBondContact O-N 2.76Å; L74-I79 HydrophobicContact CB-CG2 3.74Å; L74-I79 HydrophobicContact CD2-CG2 4.36Å; K77-I79 PolarHBondContact O-N 2.91Å; I79-V81 HydrophobicContact CD1-CG2 3.91Å; I79-V81 HydrophobicContact CG1-CG2 4.03Å | ||
| 80 | K | 94.6 | Very high | 83.8 | Confident | 134 Ų | 134 | 89.9 Ų | 89.9 | 58% | 0.583 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.9 | 175.1 | -67.4 | -179 | 179.6 | 178.2 | 0 | 108.2 | G13 | G13-K80 PolarHBondContact N-O 3.15Å; G13-K80 PolarHBondContact O-N 2.85Å |
| 81 | V | 94.5 | Very high | 81.7 | Confident | 2 Ų | 2 | 95.1 Ų | 95.1 | 1% | 0.012 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129 | -178.9 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | I10 F11 I12 F28 V66 M69 N70 I79 | I10-V81 HydrophobicContact CD1-CG1 3.91Å; F11-V81 WeakPolarHBondContact O-CA 3.36Å; I12-V81 HydrophobicContact CG1-CG1 4.44Å; I12-V81 HydrophobicContact CG2-CG2 4.38Å; F28-V81 HydrophobicContact CE1-CG1 4.28Å; F28-V81 HydrophobicContact CE1-CG2 4.32Å; F28-V81 HydrophobicContact CZ-CG2 4Å; V66-V81 HydrophobicContact CB-CG1 4.5Å; V66-V81 HydrophobicContact CG2-CG1 4.02Å; M69-V81 HydrophobicContact CB-CG2 3.85Å; M69-V81 WeakPolarHBondContact O-CG2 3.32Å; N70-V81 HydrophobicContact CB-CB 4.11Å; N70-V81 PolarHBondContact OD1-N 2.86Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 2.8Å; I79-V81 HydrophobicContact CD1-CG2 3.91Å; I79-V81 HydrophobicContact CG1-CG2 4.03Å |
| 82 | K | 92.5 | Very high | 79.5 | Confident | 131 Ų | 131 | 96.8 Ų | 96.8 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159 | -178.7 | -67.2 | -170 | 174.8 | -169.7 | 0 | 110 | I10 F11 A84 | I10-K82 CarbonylContact C-O 3.58Å; I10-K82 WeakPolarHBondContact CA-O 3.26Å; F11-K82 PolarHBondContact N-O 2.9Å; F11-K82 PolarHBondContact O-N 2.81Å; K82-A84 PolarHBondContact O-N 2.98Å |
| 83 | Q | 91.3 | Very high | 77.2 | Confident | 39 Ų | 39 | 98 Ų | 98 | 18% | 0.182 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 134.5 | 165.8 | -162.6 | 66 | 25.9 | 0 | 0 | 109.7 | T4 Q6 P7 K9 R85 | T4-Q83 HydrophobicContact CG2-CB 4.02Å; T4-Q83 HydrophobicContact CG2-CG 3.62Å; Q6-Q83 PolarHBondContact O-NE2 2.84Å; P7-Q83 VanDerWaalsContact C-NE2 3.29Å; P7-Q83 PolarHBondContact O-NE2 2.55Å; K9-Q83 PolarHBondContact O-NE2 3.1Å; Q83-R85 PolarHBondContact O-N 3.23Å |
| 84 | A | 88.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 96.3 Ų | 96.3 | 1% | 0.008 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 130.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K9 F11 F53 K82 | K9-A84 HydrophobicContact CB-CB 4.04Å; K9-A84 HydrophobicContact CD-CB 3.88Å; K9-A84 HydrophobicContact CG-CB 3.68Å; K9-A84 VanDerWaalsContact O-CB 3.23Å; K9-A84 WeakPolarHBondContact O-CB 3.36Å; K9-A84 PolarHBondContact O-N 2.92Å; F11-A84 HydrophobicContact CB-CB 4.33Å; F53-A84 HydrophobicContact CD1-CB 3.99Å; F53-A84 HydrophobicContact CE1-CB 4.18Å; K82-A84 PolarHBondContact O-N 2.98Å |
| 85 | R | 83.7 | Confident | 73.3 | Confident | 191 Ų | 191 | 104.8 Ų | 104.8 | 72% | 0.721 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 156.4 | 161.1 | -69.3 | -177.1 | 168.3 | -176.4 | -6.1 | 109.5 | Q83 | Q83-R85 PolarHBondContact O-N 3.23Š|
| 86 | R | 75.1 | Confident | 71.4 | Confident | 164 Ų | 164 | 110.3 Ų | 110.3 | 62% | 0.619 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.5 | 165.6 | 59 | 179 | 139.3 | 163.1 | -20.4 | 109.2 | D5 S88 | D5-R86 HydrophobicContact CB-CB 4.25Å; D5-R86 HydrophobicContact CB-CG 4.27Å; D5-R86 IonicContact OD1-CZ 3.14Å; D5-R86 IonicContact OD1-NE 2.83Å; D5-R86 PolarHBondContact OD1-NE 2.96Å; D5-R86 IonicContact OD1-NH2 2.77Å; D5-R86 PolarHBondContact OD1-NH2 3.11Å; D5-R86 WeakPolarHBondContact OD2-CG 3.23Å; D5-R86 IonicContact OD2-CZ 3.9Å; D5-R86 IonicContact OD2-NE 3.02Å; D5-R86 PolarHBondContact OD2-NE 2.79Å; D5-R86 IonicContact OD2-NH2 3.83Å; R86-S88 PolarHBondContact O-N 3.29Å |
| 87 | P | 65.9 | Low | 69.4 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 66% | 0.662 | 58% | 0.578 | S | S | * | * | trans | -66.4 | 105.8 | 163.3 | 28.7 | -30.6 | 0 | 0 | 0 | 106.8 | S89 | P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.3Å | ||
| 88 | S | 55.1 | Low | 67.9 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | trans | -69 | 89.6 | 178.9 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | R86 L90 | R86-S88 PolarHBondContact O-N 3.29Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 3.26Å | ||
| 89 | S | 48.7 | Very low | 65.9 | Low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -70.6 | 83.4 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | P87 E91 | P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.3Å; S89-E91 PolarHBondContact O-N 3.32Å | ||
| 90 | L | 53.2 | Low | 63.4 | Low | 172 Ų | 172 | 118.1 Ų | 118.1 | 90% | 0.901 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 55.6 | 5.9 | 161.5 | -60 | 172.1 | 0 | 0 | 0 | 118.3 | S88 | S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 3.26Å |
| 91 | E | 48.6 | Very low | 61.1 | Low | 192 Ų | 192 | 120.3 Ų | 120.3 | 90% | 0.897 | 63% | 0.632 | S | S | * | * | trans | -106.7 | 42.1 | -175.7 | -149.7 | 173.6 | 102.8 | 0 | 0 | 113.8 | S89 | S89-E91 PolarHBondContact O-N 3.32Š| ||
| 92 | S | 44.2 | Very low | 58.9 | Low | 79 Ų | 79 | 124.6 Ų | 124.6 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | trans | -137.4 | 88.1 | 152.4 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | S94 | S92-S94 PolarHBondContact O-N 3.01Š| ||
| 93 | G | 44.6 | Very low | 56.8 | Low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | -59.4 | -9.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K95 | G93-K95 VanDerWaalsContact C-N 3.29Å; G93-K95 PolarHBondContact O-N 2.97Å | ||
| 94 | S | 50.8 | Low | 54.7 | Low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | trans | -75.7 | 78.2 | 165.6 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | S92 K96 | S92-S94 PolarHBondContact O-N 3.01Å; S94-K96 PolarHBondContact O-N 2.79Å | ||
| 95 | K | 50 | Low | 52.6 | Low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -59.1 | 80 | 141 | -78.7 | -177.7 | -179 | 173 | 0 | 107.7 | G93 R97 | G93-K95 VanDerWaalsContact C-N 3.29Å; G93-K95 PolarHBondContact O-N 2.97Å; K95-R97 PolarHBondContact O-N 2.87Å | ||
| 96 | K | 46.5 | Very low | 50.4 | Low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -57.9 | 94.9 | 151.9 | -83.7 | -171.3 | 175.6 | -178.7 | 0 | 105 | S94 | S94-K96 PolarHBondContact O-N 2.79Š| ||
| 97 | R | 49.1 | Very low | 49.4 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -43.5 | 138.9 | 155.4 | -61.2 | 168.4 | 77.2 | 153.1 | 0.8 | 105.2 | K95 P99 | K95-R97 PolarHBondContact O-N 2.87Å; R97-P99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | P | 61 | Low | 48.4 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -48.9 | 131.9 | 165.6 | 25 | -33.4 | 0 | 0 | 0 | 106.1 | S100 | P98-S100 PolarHBondContact O-N 2.89Š| ||
| 99 | P | 50.6 | Low | 48.2 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -54.8 | 111.3 | -174.2 | 22.3 | -32.6 | 0 | 0 | 0 | 106.5 | R97 F101 | R97-P99 VanDerWaalsContact O-N 3.15Å; P99-F101 PolarHBondContact O-N 3.04Å | ||
| 100 | S | 43.6 | Very low | 48.2 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | trans | -56.8 | 118.7 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 105 | P98 S102 | P98-S100 PolarHBondContact O-N 2.89Å; S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 PolarHBondContact O-OG 2.98Å | ||
| 101 | F | 46.7 | Very low | 48 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 79.8 | 178.2 | -5.5 | -91 | 0 | 0 | 0 | 106.8 | P99 R103 | P99-F101 PolarHBondContact O-N 3.04Å; F101-R103 PolarHBondContact O-N 2.83Å | ||
| 102 | S | 47 | Very low | 48 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -63.7 | 93.5 | 170.4 | 36.1 | 0 | 0 | 0 | 0 | 105.8 | S100 T104 | S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 PolarHBondContact O-OG 2.98Å; S102-T104 PolarHBondContact O-N 3.05Å | ||
| 103 | R | 48.7 | Very low | 47.9 | Very low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -68.9 | 65.4 | 171.6 | -67.8 | -175.2 | 178.4 | -172.6 | -0.3 | 108.4 | F101 | F101-R103 PolarHBondContact O-N 2.83Š| ||
| 104 | T | 47.9 | Very low | 47.9 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -141.8 | 42.6 | -173.2 | -36.1 | 0 | 0 | 0 | 0 | 108.7 | S102 | S102-T104 PolarHBondContact O-N 3.05Š| ||
| 105 | R | 43 | Very low | 47.8 | Very low | 239 Ų | 239 | 155.3 Ų | 155.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 30.9 | 161.7 | -156 | 178.8 | -77.2 | -165.3 | -4.2 | 111 | A107 | R105-A107 PolarHBondContact O-N 3.39Å; R105-A107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | G | 39.2 | Very low | 47.5 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 45.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S108 | G106-S108 PolarHBondContact O-N 3.21Š| ||
| 107 | A | 52.4 | Low | 47.5 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | trans | -79.7 | 108.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R105 R109 | R105-A107 PolarHBondContact O-N 3.39Å; R105-A107 VanDerWaalsContact O-N 3.13Å; A107-R109 PolarHBondContact O-N 3.35Å | ||
| 108 | S | 46.8 | Very low | 47.4 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 44 | 74 | 145.2 | -50.9 | 0 | 0 | 0 | 0 | 117.3 | G106 | G106-S108 PolarHBondContact O-N 3.21Š| ||
| 109 | R | 50.8 | Low | 47 | Very low | 227 Ų | 227 | 144.9 Ų | 144.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -129.8 | 89.2 | 158.2 | -73.8 | -160.1 | -67.6 | 174 | -0 | 113.2 | A107 | A107-R109 PolarHBondContact O-N 3.35Š| ||
| 110 | I | 47.3 | Very low | 46.8 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | 57.5 | 98.9 | 136.6 | -52.5 | 154.5 | 0 | 0 | 0 | 115.9 | K112 | I110-K112 HydrophobicContact CG2-CB 3.92Š| ||
| 111 | L | 49 | Very low | 47 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -105.6 | 131.2 | 135.4 | -72.6 | 178.3 | 0 | 0 | 0 | 107.8 | ||||
| 112 | K | 49.2 | Very low | 47 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -132.1 | 86 | -171.5 | -177.4 | -179.4 | 173.4 | -179.7 | 0 | 110.8 | I110 | I110-K112 HydrophobicContact CG2-CB 3.92Š| ||
| 113 | C | 41.9 | Very low | 47 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -123.1 | 141.6 | 155.7 | 47.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 114 | G | 45.2 | Very low | 47 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | 110.2 | 64.7 | 26.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 115 | R | 47.7 | Very low | 47.4 | Very low | 258 Ų | 258 | 147.6 Ų | 147.6 | 97% | 0.974 | 83% | 0.825 | S | S | * | * | 70.9 | 92.7 | 81.6 | -170.6 | -160.2 | -173.3 | -157.7 | 3.5 | 112.9 | |||||
| 116 | G | 44.4 | Very low | 47.4 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 135.5 | 155.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 117 | G | 45.4 | Very low | 47.7 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 71.7 | 109 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 118 | R | 48 | Very low | 47.2 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | cis | 68.7 | 122.4 | 30.7 | -58.3 | -169.8 | 177.9 | -132.5 | 1.5 | 115.6 | ||||
| 119 | S | 51.6 | Low | 47 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | 76.4 | 152.4 | 162.2 | -56.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 120 | R | 46.5 | Very low | 46.7 | Very low | 231 Ų | 231 | 143.7 Ų | 143.7 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | cis | -168.4 | 169.7 | -21 | -108.6 | 163.1 | -169.8 | 164.6 | 0.7 | 107.6 | ||||
| 121 | A | 48.6 | Very low | 46.8 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | 68.3 | 139.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 122 | R | 47.3 | Very low | 46.6 | Very low | 242 Ų | 242 | 140.8 Ų | 140.8 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | cis | 70.7 | 102 | 42.1 | -71 | -170.3 | 177.2 | -179.4 | -0.8 | 114.1 | ||||
| 123 | S | 46.4 | Very low | 46.5 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | -164.9 | 156.4 | 129.8 | -99 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 124 | G | 47.6 | Very low | 46.8 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -104 | -163.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 125 | P | 56.7 | Low | 46.7 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -117.2 | 172.4 | -159.5 | 42.4 | -33.4 | 0 | 0 | 0 | 114.6 | ||||
| 126 | S | 43.6 | Very low | 46.6 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 169.4 | 126.2 | 136 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 127 | C | 45.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -173.3 | 118 | 142.8 | 48.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 128 | E | 41.6 | Very low | 47.7 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | 58.8 | 125 | 94.8 | -70.5 | 177.3 | 75.1 | 0 | 0 | 114.7 | |||||
| 129 | G | 42.5 | Very low | 47.5 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 158.3 | 136.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 130 | N | 44.5 | Very low | 47.1 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -165.3 | 151.9 | 152.5 | -130.1 | -44.9 | 0 | 0 | 0 | 111.8 | ||||
| 131 | L | 48.8 | Very low | 46.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -137.9 | 136.8 | -179.7 | -72.9 | 173.7 | 0 | 0 | 0 | 110.8 | ||||
| 132 | G | 45.6 | Very low | 46.8 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 155.6 | 139.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 133 | G | 46.3 | Very low | 46.5 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 150.4 | 108.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 134 | D | 49.1 | Very low | 46.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 133.7 | 157.6 | -84.1 | -73.9 | 0 | 0 | 0 | 123.2 | ||||
| 135 | R | 43.6 | Very low | 46.9 | Very low | 205 Ų | 205 | 135 Ų | 135 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 77.5 | 108.3 | 139.6 | -72.7 | 175.1 | -69.4 | -166 | -5.3 | 122.8 | ||||
| 136 | Y | 45.7 | Very low | 46.4 | Very low | 221 Ų | 221 | 132.3 Ų | 132.3 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | 53.2 | 108.1 | 118.9 | -92.9 | -95.8 | 0 | 0 | 0 | 121.4 | |||||
| 137 | T | 56.5 | Low | 46.6 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -155.3 | 131.6 | 138.7 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 138 | P | 55.9 | Low | 46.6 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | trans | -117.1 | 161.6 | 170.4 | 39 | -29.8 | 0 | 0 | 0 | 114.7 | ||||
| 139 | N | 42.5 | Very low | 46.7 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 165.6 | 174.9 | -55.3 | -28.6 | 0 | 0 | 0 | 114.8 | ||||
| 140 | F | 45 | Very low | 47 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | -137.2 | 151.7 | 10.6 | -53.3 | -105 | 0 | 0 | 0 | 107.5 | ||||
| 141 | N | 40.4 | Very low | 47.5 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | cis | 73.1 | 92.4 | 30.6 | -166.3 | 19.3 | 0 | 0 | 0 | 116.4 | ||||
| 142 | V | 48.3 | Very low | 47.4 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -158.7 | 139.9 | 153.9 | 94.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 143 | S | 40.2 | Very low | 47.2 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | 57 | 147.9 | 155 | -67.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 144 | S | 46.5 | Very low | 47 | Very low | 100 Ų | 100 | 151.9 Ų | 151.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -167.8 | 142.4 | -13.9 | -102.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | S | 55.8 | Low | 47 | Very low | 131 Ų | 131 | 151 Ų | 151 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 62.7 | 154.9 | 160.4 | 77.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 146 | G | 46.4 | Very low | 47.1 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 176.1 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 147 | R | 47.7 | Very low | 47.3 | Very low | 221 Ų | 221 | 140.2 Ų | 140.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | 66.4 | 119.4 | 178 | -53.5 | 173.6 | -179.5 | -92.7 | -2.4 | 117.1 | F149 | R147-F149 HydrophobicContact CB-CE2 4.47Š| ||
| 148 | H | 46.5 | Very low | 46.9 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 148.1 | 154.3 | -77.4 | 178.2 | 0 | 0 | 0 | 111.1 | ||||
| 149 | F | 43.8 | Very low | 46.4 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -126.9 | 114.6 | 152.4 | -82.1 | -78.7 | 0 | 0 | 0 | 109.7 | R147 | R147-F149 HydrophobicContact CB-CE2 4.47Š| ||
| 150 | A | 48.7 | Very low | 46.5 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -108.6 | 115.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 151 | V | 53.9 | Low | 46.6 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -129.2 | 109.5 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 152 | K | 47.6 | Very low | 47.8 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | 36.3 | 106 | 152.9 | -67.2 | -178.9 | 176.1 | 177.6 | 0 | 119 | ||||
| 153 | R | 41.1 | Very low | 48.2 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -49.8 | 142.2 | 140.8 | -56.3 | 154.3 | 79.8 | 129.8 | -1.6 | 109.2 | ||||
| 154 | N | 42.6 | Very low | 48.7 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -137.1 | 135 | 160.7 | -100.8 | -20.2 | 0 | 0 | 0 | 108.8 | ||||
| 155 | P | 47.6 | Very low | 48.7 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -107.9 | 170.2 | -169.4 | 41 | -36.3 | 0 | 0 | 0 | 115 | ||||
| 156 | S | 46.6 | Very low | 48.3 | Very low | 103 Ų | 103 | 158 Ų | 158 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | 75.5 | 115.4 | 146.1 | -144.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 157 | S | 50.3 | Low | 48.1 | Very low | 96 Ų | 96 | 160.5 Ų | 160.5 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | 55.1 | 97.2 | 130.9 | 67.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 158 | K | 47.9 | Very low | 48.1 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | -153.8 | 120.1 | 119 | -98.4 | 154.6 | -176.5 | 179 | 0 | 105.7 | |||||
| 159 | R | 44.4 | Very low | 48.2 | Very low | 224 Ų | 224 | 151.3 Ų | 151.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | 51.7 | 100.6 | 78.1 | -67.7 | -170.5 | -179.4 | -173.4 | 1.2 | 110.8 | |||||
| 160 | D | 46.2 | Very low | 48.3 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | -170.1 | 112.9 | 108.4 | -82 | -23.1 | 0 | 0 | 0 | 109.9 | |||||
| 161 | D | 47.1 | Very low | 48.3 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -115.8 | 157.7 | 171.5 | -111.4 | -52.3 | 0 | 0 | 0 | 108.4 | ||||
| 162 | P | 64.6 | Low | 48.2 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -94.7 | 177.8 | -148.6 | 37.8 | -41.1 | 0 | 0 | 0 | 114.6 | ||||
| 163 | P | 56.3 | Low | 47.9 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -107.1 | 138.5 | 152.6 | 35.3 | -27.8 | 0 | 0 | 0 | 112.6 | ||||
| 164 | S | 51.4 | Low | 48 | Very low | 97 Ų | 97 | 147 Ų | 147 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 154.3 | 170.6 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 165 | K | 45.6 | Very low | 48.1 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | 56.9 | 126.2 | 155.4 | -60.3 | 171.3 | 179.8 | 175.2 | 0 | 118.2 | ||||
| 166 | R | 47.3 | Very low | 48.1 | Very low | 255 Ų | 255 | 146.8 Ų | 146.8 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -147.7 | 149.4 | 142.4 | -122.2 | 177 | -176.1 | -130.9 | -1 | 111.5 | ||||
| 167 | S | 42.4 | Very low | 47.8 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 128.7 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 168 | A | 48 | Very low | 47.2 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -164.3 | 127.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 169 | T | 49.5 | Very low | 47.5 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | 97 | 115.1 | 33.6 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 170 | S | 46 | Very low | 47.1 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 75.4 | 158.3 | 148.7 | 73.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 171 | A | 48.4 | Very low | 46.8 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | 68.7 | 145 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 172 | Q | 51 | Low | 46.6 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | cis | -159.7 | 168.9 | -33.2 | -133.2 | 167.2 | 1.1 | 0 | 0 | 110.3 | ||||
| 173 | T | 41.1 | Very low | 45.6 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -45.4 | 143.6 | 173.1 | 49.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 174 | R | 44.8 | Very low | 45.4 | Very low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | -167.4 | 161.2 | 117.7 | -101.8 | 152.9 | -167.6 | -130.2 | -1 | 113.4 | |||||
| 175 | S | 44 | Very low | 44.9 | Very low | 97 Ų | 97 | 151 Ų | 151 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | -82.5 | 165.8 | -174.9 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 176 | N | 47 | Very low | 44.8 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -152 | 141.8 | 130.8 | -108.7 | -15.4 | 0 | 0 | 0 | 113.2 | ||||
| 177 | T | 41.3 | Very low | 44.7 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -120.4 | 142.1 | 178.8 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | G | 37.4 | Very low | 44.6 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 153.3 | 162.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 179 | L | 53.6 | Low | 44.6 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | 60.8 | 99.6 | 165.8 | -43.5 | -176.4 | 0 | 0 | 0 | 114.3 | ||||
| 180 | R | 36.8 | Very low | 44.2 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | cis | 66.2 | 81.4 | 27.1 | -154.4 | -172.9 | -153.6 | -106.6 | 4.3 | 113.8 | ||||
| 181 | G | 38.4 | Very low | 44 | Very low | 74 Ų | 74 | 155.3 Ų | 155.3 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -170.6 | 88 | 177.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 182 | R | 43.4 | Very low | 43.9 | Very low | 256 Ų | 256 | 159 Ų | 159 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | trans | 60.3 | 129.7 | 145.7 | -60.8 | -176 | 177.4 | -131.1 | -1 | 122.1 | ||||
| 183 | E | 43.3 | Very low | 43.5 | Very low | 133 Ų | 133 | 159 Ų | 159 | 62% | 0.621 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 174.6 | 159.6 | -149.6 | -142.7 | -158.7 | 0 | 0 | 111 | H185 | E183-H185 VanDerWaalsContact CD-N 3.28Å; E183-H185 IonicContact OE1-ND1 3.94Å; E183-H185 IonicContact OE2-CD2 3.29Å; E183-H185 PolarHBondContact OE2-CD2 3.48Å; E183-H185 VanDerWaalsContact OE2-CD2 3.29Å; E183-H185 IonicContact OE2-CE1 3.87Å; E183-H185 IonicContact OE2-CG 3.34Å; E183-H185 PolarHBondContact OE2-N 3Å; E183-H185 IonicContact OE2-ND1 3.72Å; E183-H185 IonicContact OE2-NE2 3.68Å | ||
| 184 | P | 51.9 | Low | 44 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -150.3 | 147.5 | 96.9 | 37.9 | -20.1 | 0 | 0 | 0 | 118.6 | |||||
| 185 | H | 42.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 159.9 Ų | 159.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -36.1 | 153.7 | 167.7 | -61.1 | -78.9 | 0 | 0 | 0 | 119.7 | E183 | E183-H185 VanDerWaalsContact CD-N 3.28Å; E183-H185 IonicContact OE1-ND1 3.94Å; E183-H185 IonicContact OE2-CD2 3.29Å; E183-H185 PolarHBondContact OE2-CD2 3.48Å; E183-H185 VanDerWaalsContact OE2-CD2 3.29Å; E183-H185 IonicContact OE2-CE1 3.87Å; E183-H185 IonicContact OE2-CG 3.34Å; E183-H185 PolarHBondContact OE2-N 3Å; E183-H185 IonicContact OE2-ND1 3.72Å; E183-H185 IonicContact OE2-NE2 3.68Å | ||
| 186 | R | 42.2 | Very low | 43.5 | Very low | 217 Ų | 217 | 158.6 Ų | 158.6 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -154.4 | 123.1 | 130.1 | -126.8 | -172.1 | -177.9 | -159.8 | 2.3 | 114.4 | ||||
| 187 | R | 45.5 | Very low | 43.5 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 43.3 | 140.3 | 132.8 | -72.7 | -164.2 | 158.7 | 144.2 | 3.9 | 121.2 | ||||
| 188 | E | 40.3 | Very low | 43.7 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | -170.1 | -158 | -5.3 | -130.8 | 157.1 | -147.9 | 0 | 0 | 110.1 | ||||
| 189 | I | 48.2 | Very low | 43.9 | Very low | 153 Ų | 153 | 160.6 Ų | 160.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 89.9 | 76.7 | 163.5 | -44.4 | -178.4 | 0 | 0 | 0 | 117.5 | ||||
| 190 | S | 40.8 | Very low | 43.4 | Very low | 80 Ų | 80 | 157.3 Ų | 157.3 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | 60.1 | 118.3 | 118.5 | -70 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 191 | R | 43.4 | Very low | 43.6 | Very low | 216 Ų | 216 | 150.3 Ų | 150.3 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | 68.6 | 110.3 | 127.1 | -55.6 | 166.5 | -146.2 | -154.7 | 0.5 | 118.9 | |||||
| 192 | N | 45.9 | Very low | 43.6 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | -171.5 | 137 | 104.9 | -90.3 | -22.6 | 0 | 0 | 0 | 111.6 | |||||
| 193 | M | 41.9 | Very low | 43.6 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -164 | 112.1 | -178.7 | -113 | -79.9 | -173.8 | 0 | 0 | 110 | ||||
| 194 | P | 52.1 | Low | 43.4 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 154 | 166.6 | 34.5 | -30.4 | 0 | 0 | 0 | 111.7 | ||||
| 195 | R | 36.7 | Very low | 42.8 | Very low | 258 Ų | 258 | 159.5 Ų | 159.5 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | trans | -92.5 | 156.9 | 178.4 | -71 | 177.9 | 170.3 | -175.7 | -2.9 | 112.4 | ||||
| 196 | G | 40.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 162.6 Ų | 162.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 139.2 | 144.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 197 | E | 47.1 | Very low | 42.9 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | cis | -151.5 | 160.8 | -17.1 | -80.9 | -153.2 | 130.5 | 0 | 0 | 109.5 | ||||
| 198 | P | 46.2 | Very low | 42.8 | Very low | 125 Ų | 125 | 156.9 Ų | 156.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -113 | 107.2 | 179 | 36.4 | -24.2 | 0 | 0 | 0 | 114.3 | ||||
| 199 | A | 42.7 | Very low | 43.6 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -164 | 160 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 200 | S | 42.2 | Very low | 43.1 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -171.2 | 172.4 | -32.6 | 65.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 201 | S | 41.6 | Very low | 43.5 | Very low | 105 Ų | 105 | 163.1 Ų | 163.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | 75.4 | 144.4 | 166.6 | 85.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 202 | R | 38.6 | Very low | 43.2 | Very low | 238 Ų | 238 | 162.9 Ų | 162.9 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | 79.9 | 125.4 | 173.5 | -57.3 | -175.5 | 176.9 | -159.2 | -2 | 118.1 | ||||
| 203 | R | 43.1 | Very low | 42.9 | Very low | 220 Ų | 220 | 158.8 Ų | 158.8 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | cis | -163.1 | 151.8 | -34.6 | -132.1 | -163.6 | -172 | -139.1 | 6.1 | 106 | ||||
| 204 | D | 37.5 | Very low | 42.8 | Very low | 142 Ų | 142 | 158.9 Ų | 158.9 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -62.9 | 148.7 | 174.6 | -46.7 | -100.6 | 0 | 0 | 0 | 111.8 | ||||
| 205 | E | 39.2 | Very low | 42.3 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | 174.5 | 120 | 120.9 | -92.1 | 170.5 | 111.3 | 0 | 0 | 112.1 | |||||
| 206 | Y | 39.8 | Very low | 42.6 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 147.9 | 152.2 | -84.5 | -91.7 | 0 | 0 | 0 | 106.7 | ||||
| 207 | P | 48.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -150.8 | -178.6 | 67.7 | 39.5 | -18.7 | 0 | 0 | 0 | 116.9 | |||||
| 208 | L | 43 | Very low | 42.6 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 126.4 | 171.3 | -71.5 | 164 | 0 | 0 | 0 | 111.7 | ||
| 209 | P | 56.1 | Low | 42.7 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.1 | 164.5 | -13.2 | 30 | 0 | 0 | 0 | 111.1 | ||
| 210 | R | 38.4 | Very low | 42.8 | Very low | 232 Ų | 232 | 158.9 Ų | 158.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85 | 138.1 | 147.6 | -83.1 | 177.4 | 167.6 | 172.2 | -4.2 | 106.8 | ||
| 211 | D | 49.3 | Very low | 42.6 | Very low | 157 Ų | 157 | 164.3 Ų | 164.3 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -141.5 | 139.7 | 157.3 | -110 | -48.4 | 0 | 0 | 0 | 112.1 | ||||
| 212 | Y | 36.9 | Very low | 42.5 | Very low | 210 Ų | 210 | 168.3 Ų | 168.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -102.8 | 98.8 | 179 | -103.9 | -99.5 | 0 | 0 | 0 | 108.9 | Q214 | Y212-Q214 PolarHBondContact O-N 2.86Š| ||
| 213 | G | 40.7 | Very low | 42.4 | Very low | 79 Ų | 79 | 162 Ų | 162 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 83.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 214 | Q | 39.3 | Very low | 42.6 | Very low | 184 Ų | 184 | 157.7 Ų | 157.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -72.8 | 130.7 | 165.7 | -65.4 | -179.1 | 5 | 0 | 0 | 109.6 | Y212 | Y212-Q214 PolarHBondContact O-N 2.86Š| ||
| 215 | S | 41.5 | Very low | 42.9 | Very low | 100 Ų | 100 | 155.1 Ų | 155.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 98.1 | 172.8 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 216 | S | 41.6 | Very low | 43.1 | Very low | 86 Ų | 86 | 158.1 Ų | 158.1 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | trans | -64.8 | 139.1 | 167.2 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | D218 | S216-D218 PolarHBondContact OG-N 3.38Å; S216-D218 VanDerWaalsContact OG-N 3.11Å; S216-D218 PolarHBondContact OG-OD2 2.98Å | ||
| 217 | N | 47.5 | Very low | 43.2 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | -126 | 57.2 | 163.2 | -82.1 | -86.1 | 0 | 0 | 0 | 110.1 | R219 | N217-R219 PolarHBondContact O-N 2.83Š| ||
| 218 | D | 41.7 | Very low | 43.1 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -56.3 | 97.1 | 160.6 | -85.6 | -72.2 | 0 | 0 | 0 | 110.8 | S216 | S216-D218 PolarHBondContact OG-N 3.38Å; S216-D218 VanDerWaalsContact OG-N 3.11Å; S216-D218 PolarHBondContact OG-OD2 2.98Å | ||
| 219 | R | 48.8 | Very low | 43.2 | Very low | 211 Ų | 211 | 149.2 Ų | 149.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -139.9 | 105.7 | 167.9 | -71.2 | -166.7 | -179 | 150.8 | 7.8 | 113.1 | N217 | N217-R219 PolarHBondContact O-N 2.83Š| ||
| 220 | K | 44.5 | Very low | 42.4 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 55.9 | 104.3 | 146.3 | -67.1 | -170.3 | 169.5 | -168.4 | 0 | 118.2 | ||||
| 221 | Y | 36.9 | Very low | 42.3 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | 6.1 | 123.6 | 114.7 | -67.7 | -97.5 | 0 | 0 | 0 | 116.8 | |||||
| 222 | E | 40.5 | Very low | 41.9 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | -151 | 121.9 | 127 | -158.2 | 126.1 | -154.6 | 0 | 0 | 109.1 | |||||
| 223 | S | 36.2 | Very low | 41.8 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -113.5 | 105.5 | -173.3 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 224 | T | 47.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 149 Ų | 149 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | 176.3 | 150 | 163.1 | 18.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 225 | S | 44.4 | Very low | 41.5 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | -148.5 | 145.2 | 13.8 | -82.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 226 | R | 43.1 | Very low | 41.2 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | 46.3 | 140.6 | 129.5 | -56.8 | 172.6 | 170.3 | 158.9 | -3.7 | 122.2 | |||||
| 227 | G | 40.5 | Very low | 41 | Very low | 62 Ų | 62 | 154.8 Ų | 154.8 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 126 | 92.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 228 | N | 46.6 | Very low | 40.4 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 63.4 | 134.1 | 86.7 | -66.3 | 37.2 | 0 | 0 | 0 | 112.5 | |||||
| 229 | C | 45.2 | Very low | 40.3 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | cis | -166.3 | 125.8 | -1.5 | 44 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 230 | D | 39 | Very low | 40.1 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | 80.3 | 120.8 | 86.5 | -79.2 | -60.8 | 0 | 0 | 0 | 116.9 | |||||
| 231 | Y | 36.5 | Very low | 40 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 56.3 | 156.4 | 155.4 | -73.9 | -97.7 | 0 | 0 | 0 | 121.6 | ||||
| 232 | G | 40.2 | Very low | 40.3 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 146.2 | 34.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 233 | N | 35.3 | Very low | 40.6 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 108.9 | 164.4 | 166.5 | 55.3 | 0 | 0 | 0 | 110.5 | ||||
| 234 | Y | 32.6 | Very low | 40.9 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -159.7 | 157.7 | 163.1 | -89.7 | -57.8 | 0 | 0 | 0 | 115.1 | ||||
| 235 | H | 41.3 | Very low | 40.6 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 71.9 | 105.4 | 154.8 | -92.1 | -70.6 | 0 | 0 | 0 | 121.7 | ||||
| 236 | S | 34.4 | Very low | 40.5 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -55.7 | 142.6 | 138.5 | -36.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 237 | R | 37.6 | Very low | 40.5 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -152.1 | 133.9 | 148.8 | -173 | 166.3 | -179.8 | 161.8 | -2.5 | 110.7 | E239 | R237-E239 IonicContact CZ-OE2 3.12Å; R237-E239 IonicContact NE-OE2 2.77Å; R237-E239 PolarHBondContact NE-OE2 2.58Å; R237-E239 IonicContact NH2-OE1 3.8Å; R237-E239 IonicContact NH2-OE2 2.65Å; R237-E239 PolarHBondContact NH2-OE2 3.32Å | ||
| 238 | E | 35.1 | Very low | 40.7 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -93.6 | 132.4 | 167.9 | -61.9 | 159.8 | -142.2 | 0 | 0 | 108.1 | ||||
| 239 | E | 40.6 | Very low | 40.8 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -170.1 | 111.8 | 153.6 | -113 | 162.1 | 125 | 0 | 0 | 114.2 | R237 | R237-E239 IonicContact CZ-OE2 3.12Å; R237-E239 IonicContact NE-OE2 2.77Å; R237-E239 PolarHBondContact NE-OE2 2.58Å; R237-E239 IonicContact NH2-OE1 3.8Å; R237-E239 IonicContact NH2-OE2 2.65Å; R237-E239 PolarHBondContact NH2-OE2 3.32Å | ||
| 240 | S | 43 | Very low | 40.7 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 26.9 | 107.2 | 126.5 | -51.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 241 | A | 43.9 | Very low | 41 | Very low | 108 Ų | 108 | 149 Ų | 149 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -152.8 | 115.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 242 | S | 43.3 | Very low | 41.4 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 143.7 | -170.5 | 46.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 243 | K | 45.5 | Very low | 41.5 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -174.4 | 94 | 144.5 | -106.4 | 163.3 | -177.9 | 174.1 | 0 | 109.3 | ||||
| 244 | V | 42.9 | Very low | 41.9 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | 60.5 | 93.6 | 79.4 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 245 | F | 41.8 | Very low | 42.3 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -167.9 | 146.2 | 108.7 | -107.3 | -71 | 0 | 0 | 0 | 112.2 | |||||
| 246 | S | 43.1 | Very low | 42.3 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -8.4 | 159.8 | 164.2 | -64.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 247 | D | 42.8 | Very low | 42.8 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | 169.7 | 122.2 | -17.7 | -94.7 | -54.4 | 0 | 0 | 0 | 103.8 | ||||
| 248 | H | 43.3 | Very low | 42.9 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 97% | 0.972 | 80% | 0.796 | S | S | * | * | trans | -164 | 115.9 | 153.2 | -104.6 | -60.2 | 0 | 0 | 0 | 109.1 | ||||
| 249 | A | 48.8 | Very low | 43.2 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -112.7 | 156.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | G | 43.7 | Very low | 43.2 | Very low | 63 Ų | 63 | 143.3 Ų | 143.3 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 100.2 | 141.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 251 | Y | 44.7 | Very low | 43.2 | Very low | 218 Ų | 218 | 144.8 Ų | 144.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | cis | -153.7 | 149.6 | -6.6 | -98.8 | -82.9 | 0 | 0 | 0 | 109.4 | ||||
| 252 | L | 46.5 | Very low | 43.1 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 28.9 | 116.8 | 152.3 | -58.9 | 163.2 | 0 | 0 | 0 | 117.2 | ||||
| 253 | G | 41.3 | Very low | 42.9 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | 89.9 | 145.4 | 60 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 254 | G | 44.1 | Very low | 42.5 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 159.8 | 141.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 255 | R | 41.6 | Very low | 42.3 | Very low | 245 Ų | 245 | 147.2 Ų | 147.2 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | 167.2 | 123.8 | 157.3 | -98.4 | 168.4 | -156.5 | -151.7 | 4.2 | 110.8 | ||||
| 256 | D | 40.8 | Very low | 41.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 160.4 | 174 | -40.1 | -91.3 | 0 | 0 | 0 | 111.2 | ||||
| 257 | R | 44.3 | Very low | 41.5 | Very low | 251 Ų | 251 | 147.9 Ų | 147.9 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -161.8 | 134.1 | 135.1 | -111.5 | 172.4 | -154.9 | -163 | 3.3 | 112.2 | ||||
| 258 | D | 40.8 | Very low | 41.1 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 66% | 0.663 | 82% | 0.817 | S | S | * | * | trans | -86.6 | 164.3 | -165.6 | -77.3 | -72.6 | 0 | 0 | 0 | 115.4 | ||||
| 259 | F | 40 | Very low | 40.9 | Very low | 181 Ų | 181 | 151 Ų | 151 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 41.1 | 102.2 | 142.3 | -75 | -115.5 | 0 | 0 | 0 | 117.1 | ||||
| 260 | S | 42 | Very low | 40.2 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | 75.8 | 120.7 | 77.2 | 74.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 261 | E | 42.7 | Very low | 40.3 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 178.2 | -177.2 | 138.9 | -101.9 | -179.7 | 173 | 0 | 0 | 110.6 | ||||
| 262 | Y | 40.1 | Very low | 39.9 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 74.7 | 91.4 | 169.7 | -54.9 | -69.3 | 0 | 0 | 0 | 118.4 | ||||
| 263 | L | 39.5 | Very low | 39.5 | Very low | 169 Ų | 169 | 159 Ų | 159 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 167.2 | 158.2 | -69 | 158.3 | 0 | 0 | 0 | 112.4 | ||||
| 264 | S | 36.9 | Very low | 39.4 | Very low | 132 Ų | 132 | 160.6 Ų | 160.6 | 92% | 0.923 | 81% | 0.806 | S | S | * | * | trans | 76.8 | 145 | 160.9 | -157.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 265 | G | 38.8 | Very low | 39 | Very low | 70 Ų | 70 | 167.4 Ų | 167.4 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 141.6 | 84.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 266 | N | 32.5 | Very low | 38.9 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -72.7 | 144.8 | 164.2 | -74.3 | -29.7 | 0 | 0 | 0 | 110.3 | ||||
| 267 | S | 37.1 | Very low | 38.9 | Very low | 129 Ų | 129 | 162.3 Ų | 162.3 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | 175.2 | -177.4 | 118.8 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 268 | Y | 33.1 | Very low | 38.6 | Very low | 216 Ų | 216 | 157.7 Ų | 157.7 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -141.5 | 131.3 | -163.8 | -179.4 | -90 | 0 | 0 | 0 | 106.9 | ||||
| 269 | R | 40.5 | Very low | 38.6 | Very low | 196 Ų | 196 | 159.2 Ų | 159.2 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | 165.9 | 152.9 | 139.2 | -89.7 | -162.7 | 79.5 | 127.5 | 13.8 | 114.2 | ||||
| 270 | D | 34.2 | Very low | 38.3 | Very low | 108 Ų | 108 | 158.3 Ų | 158.3 | 58% | 0.578 | 79% | 0.793 | S | S | * | * | trans | 45.7 | 121.8 | 151.8 | -53.7 | -20.2 | 0 | 0 | 0 | 122.7 | ||||
| 271 | T | 44.3 | Very low | 38.2 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | -146.7 | 117.5 | 119.8 | -24.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 272 | Y | 36 | Very low | 38.4 | Very low | 231 Ų | 231 | 155.9 Ų | 155.9 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -125.7 | 106.8 | 178.9 | -134.3 | -81.7 | 0 | 0 | 0 | 108.6 | ||||
| 273 | R | 38.6 | Very low | 38.4 | Very low | 226 Ų | 226 | 151.5 Ų | 151.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 171.4 | 145.6 | 169.4 | -94.8 | 151.9 | -168.1 | -115.9 | 5 | 105.7 | ||||
| 274 | S | 38.7 | Very low | 38.7 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | -145.4 | 176.1 | 24.4 | -161.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 275 | Y | 37 | Very low | 38.8 | Very low | 212 Ų | 212 | 153.6 Ų | 153.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -83.1 | 163.9 | -162.8 | -56.8 | -98.3 | 0 | 0 | 0 | 116.2 | ||||
| 276 | G | 39.4 | Very low | 38.7 | Very low | 73 Ų | 73 | 154.4 Ų | 154.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 139.1 | 71.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 277 | R | 40.4 | Very low | 39.1 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | 81.8 | 116.7 | 62.5 | -154.4 | -170.8 | -164.7 | -149.9 | 2 | 112.8 | |||||
| 278 | F | 38.5 | Very low | 39.1 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | 72.9 | 154.7 | 168.9 | -54.9 | -42.1 | 0 | 0 | 0 | 118.6 | ||||
| 279 | H | 39.6 | Very low | 39.4 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | -165.3 | -178.6 | -39.6 | -136.8 | -116 | 0 | 0 | 0 | 109.2 | ||||
| 280 | E | 35.1 | Very low | 39.3 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | 65.5 | 152.8 | 168.1 | -109.5 | 59.2 | -152 | 0 | 0 | 121.3 | ||||
| 281 | A | 38.6 | Very low | 39.3 | Very low | 87 Ų | 87 | 153.5 Ų | 153.5 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -148.1 | -158.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 282 | P | 48.1 | Very low | 39.1 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -136.9 | -167 | -10.3 | 42.9 | -24.3 | 0 | 0 | 0 | 114.1 | ||||
| 283 | S | 40.4 | Very low | 39.5 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 59.7 | 132.9 | 151.4 | -60 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 284 | A | 44.9 | Very low | 39.6 | Very low | 90 Ų | 90 | 149 Ų | 149 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | -175.7 | 161 | 52.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 285 | R | 39.8 | Very low | 39.7 | Very low | 255 Ų | 255 | 148.6 Ų | 148.6 | 96% | 0.962 | 79% | 0.786 | S | S | * | * | trans | 29 | 125.5 | 148.9 | -64 | 179 | 177 | 178.4 | -2.1 | 121.8 | ||||
| 286 | G | 36.5 | Very low | 39.7 | Very low | 88 Ų | 88 | 146 Ų | 146 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | 118.6 | 141.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 287 | G | 39.2 | Very low | 39.7 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 139.1 | 97.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 288 | N | 38.2 | Very low | 39.9 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 142.2 | 163.4 | -72.1 | -21.4 | 0 | 0 | 0 | 109.7 | ||||
| 289 | N | 39.9 | Very low | 40.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | 175.3 | 127.3 | 138.5 | -90.4 | -19.8 | 0 | 0 | 0 | 110.2 | ||||
| 290 | R | 37.3 | Very low | 40.4 | Very low | 214 Ų | 214 | 140.4 Ų | 140.4 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | 71.8 | 117.6 | 92 | -64.4 | 178.2 | -167.5 | -166.1 | -0.2 | 115 | |||||
| 291 | Y | 35 | Very low | 40.8 | Very low | 218 Ų | 218 | 144.5 Ų | 144.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -175.5 | 137.9 | 158 | -80.3 | -59.5 | 0 | 0 | 0 | 104.8 | ||||
| 292 | D | 40.2 | Very low | 41.1 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -147.5 | 156.7 | -2.4 | -95.8 | -55.7 | 0 | 0 | 0 | 109.6 | ||||
| 293 | D | 43.2 | Very low | 40.7 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 151 | 168.1 | -74.8 | -83.2 | 0 | 0 | 0 | 111.9 | ||||
| 294 | Y | 41.8 | Very low | 40.8 | Very low | 232 Ų | 232 | 149.7 Ų | 149.7 | 91% | 0.91 | 81% | 0.814 | S | S | * | * | trans | -137.9 | 112.2 | 163.8 | -99.1 | -89.9 | 0 | 0 | 0 | 110.5 | ||||
| 295 | S | 39.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -97.6 | 130.4 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 296 | N | 38.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -166.9 | 114.5 | 146.1 | -95.9 | -37.4 | 0 | 0 | 0 | 106.9 | ||||
| 297 | S | 38.9 | Very low | 41.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 85.5 | 91 | 66.5 | 178.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 298 | Q | 43.2 | Very low | 41.3 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -155.1 | 142.4 | 141 | -163.1 | 150.7 | 4.7 | 0 | 0 | 111.8 | ||||
| 299 | D | 45.8 | Very low | 41.2 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 4.4 | 149.6 | 156.8 | -38.6 | -31.4 | 0 | 0 | 0 | 119.8 | ||||
| 300 | G | 44.5 | Very low | 41.2 | Very low | 59 Ų | 59 | 152.3 Ų | 152.3 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | cis | 152.4 | 161.2 | 4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 301 | Y | 43.4 | Very low | 41.3 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | 66.8 | 152.9 | -178.7 | -53.5 | -81 | 0 | 0 | 0 | 116.9 | ||||
| 302 | G | 43.6 | Very low | 41.5 | Very low | 82 Ų | 82 | 148.8 Ų | 148.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -153.9 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 303 | G | 41 | Very low | 41.6 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -174 | 143.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 304 | R | 42.1 | Very low | 41.5 | Very low | 261 Ų | 261 | 146.5 Ų | 146.5 | 99% | 0.985 | 79% | 0.793 | S | S | * | * | trans | -99.5 | 149.4 | 170.9 | -60.1 | -169.2 | -120 | -131.5 | 3.8 | 109.3 | ||||
| 305 | G | 40.4 | Very low | 41.6 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 170.4 | 87.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 306 | E | 42 | Very low | 41.6 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 40.9 | 147.8 | 148.5 | -59.2 | -53.9 | 94 | 0 | 0 | 123.5 | ||||
| 307 | P | 48.3 | Very low | 41.7 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -100.4 | 152.2 | -174.6 | 38.9 | -34.2 | 0 | 0 | 0 | 114.8 | ||||
| 308 | Y | 39.8 | Very low | 41.8 | Very low | 241 Ų | 241 | 144 Ų | 144 | 95% | 0.945 | 78% | 0.778 | S | S | * | * | trans | -140.1 | 153.1 | 158.5 | -86.9 | -76.8 | 0 | 0 | 0 | 112.3 | ||||
| 309 | I | 36.9 | Very low | 41.8 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -109.6 | 133.7 | -166.2 | -61.3 | 160.6 | 0 | 0 | 0 | 111.3 | ||||
| 310 | S | 40.2 | Very low | 41.7 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -164.6 | 132.5 | 145.3 | -127.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 311 | N | 39 | Very low | 41.5 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 43 | 125.3 | 132.6 | -70.5 | -33.3 | 0 | 0 | 0 | 119.4 | ||||
| 312 | R | 38.6 | Very low | 41.4 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | cis | -156.5 | 171.7 | 24 | -91.7 | 137.8 | 175.4 | 178.3 | -2.6 | 107.7 | ||||
| 313 | S | 42.6 | Very low | 41.6 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -171.3 | 156.2 | -3.1 | 37.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 314 | N | 40.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -145.7 | 154 | 8.7 | -116.5 | 19.4 | 0 | 0 | 0 | 108 | ||||
| 315 | I | 43.8 | Very low | 41.8 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | 55.3 | 92.2 | 81.9 | -51.9 | -177.8 | 0 | 0 | 0 | 111.2 | |||||
| 316 | Y | 39.6 | Very low | 42.1 | Very low | 218 Ų | 218 | 156.5 Ų | 156.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | 72.7 | 143 | 93 | -94.9 | -100.9 | 0 | 0 | 0 | 112.9 | |||||
| 317 | S | 41.1 | Very low | 41.9 | Very low | 95 Ų | 95 | 155.6 Ų | 155.6 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | cis | -136.7 | 154.2 | 9.6 | -50 | 0 | 0 | 0 | 0 | 112 | ||||
| 318 | S | 40.6 | Very low | 41.9 | Very low | 109 Ų | 109 | 157.9 Ų | 157.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -97.5 | 126.9 | 150 | 53.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 319 | D | 44 | Very low | 42.7 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -159.9 | 134.2 | 161.8 | -96.8 | -41.1 | 0 | 0 | 0 | 113.3 | ||||
| 320 | Y | 43.1 | Very low | 44.1 | Very low | 215 Ų | 215 | 151.5 Ų | 151.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 45.9 | 142.2 | 156.2 | -76.5 | -87.5 | 0 | 0 | 0 | 124.7 | ||||
| 321 | E | 41 | Very low | 45.3 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -63.4 | 156.1 | 162.4 | -43.3 | -179.5 | 141 | 0 | 0 | 111.9 | ||||
| 322 | R | 41.4 | Very low | 46.2 | Very low | 234 Ų | 234 | 151.5 Ų | 151.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | -179.3 | 157.4 | 106.4 | -154.1 | 167.7 | -168.5 | -167.4 | 3.8 | 111.8 | |||||
| 323 | S | 47.4 | Very low | 47.1 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 68.4 | 125.8 | 171.4 | 75.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 324 | G | 43.5 | Very low | 47.3 | Very low | 74 Ų | 74 | 151.3 Ų | 151.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -110 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | R | 43.1 | Very low | 47.3 | Very low | 251 Ų | 251 | 155.4 Ų | 155.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -150.8 | 167.9 | 158.5 | -107.4 | 168.6 | -170.1 | -165.5 | 0.9 | 109.5 | ||||
| 326 | Q | 47.4 | Very low | 47.6 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 145 | -155.4 | -70.3 | 170.2 | -89.4 | 0 | 0 | 115.3 | ||||
| 327 | E | 38.5 | Very low | 47.6 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 43.2 | 108.2 | 130.5 | -57.3 | 162.1 | -116.2 | 0 | 0 | 119.7 | ||||
| 328 | V | 48.2 | Very low | 47.7 | Very low | 147 Ų | 147 | 160 Ų | 160 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 124.8 | 133.5 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 329 | L | 56.9 | Low | 47.8 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 149.5 | 167.7 | -72.3 | 172.5 | 0 | 0 | 0 | 110 | ||
| 330 | P | 64.4 | Low | 47.9 | Very low | 115 Ų | 115 | 163 Ų | 163 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.6 | 176.1 | 29.2 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 331 | P | 66.6 | Low | 48 | Very low | 117 Ų | 117 | 160.4 Ų | 160.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 144.3 | -175.3 | 30.3 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 332 | P | 57.3 | Low | 48 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.8 | 164.6 | 33.5 | -33.9 | 0 | 0 | 0 | 111 | ||
| 333 | I | 57.4 | Low | 47.8 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -95.3 | 115.8 | 172.4 | -59.4 | 174 | 0 | 0 | 0 | 107.8 | ||||
| 334 | D | 47.8 | Very low | 47.6 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 161 | -177.3 | -104 | -50 | 0 | 0 | 0 | 114.3 | ||
| 335 | R | 41.1 | Very low | 47.7 | Very low | 215 Ų | 215 | 162.6 Ų | 162.6 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 119.3 | 171.2 | -76.7 | 166.8 | 154.5 | 162.8 | -10.2 | 109.6 | ||
| 336 | E | 48.7 | Very low | 47.5 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 128.4 | 153.1 | -89.6 | -168.3 | 135.2 | 0 | 0 | 111 | ||
| 337 | Y | 40.2 | Very low | 47.1 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 131.4 | 156.9 | -91.7 | -115.2 | 0 | 0 | 0 | 107.4 | ||
| 338 | F | 44.1 | Very low | 47.5 | Very low | 186 Ų | 186 | 158.1 Ų | 158.1 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -124.3 | 119.6 | 154.9 | -97.9 | -84.2 | 0 | 0 | 0 | 108.9 | ||||
| 339 | D | 42.3 | Very low | 47.4 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | -108.3 | 150.7 | -174.2 | -130.8 | -58 | 0 | 0 | 0 | 110.1 | ||||
| 340 | R | 44.6 | Very low | 47.7 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 61.1 | 130 | 157.3 | -77.4 | 166.9 | -176.6 | -101.9 | 5.6 | 123.1 | ||||
| 341 | E | 45.3 | Very low | 47.2 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 68.6 | 122.2 | 130.7 | -65.8 | 170.7 | -129.3 | 0 | 0 | 120 | ||||
| 342 | G | 41.5 | Very low | 46.1 | Very low | 74 Ų | 74 | 159.5 Ų | 159.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 169.1 | 65.4 | 165 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 343 | R | 38.5 | Very low | 45.6 | Very low | 253 Ų | 253 | 158 Ų | 158 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | trans | 68.5 | 150.7 | 149 | -170.5 | 175.6 | -80.4 | -146.8 | -2 | 119 | ||||
| 344 | Q | 42.2 | Very low | 45.1 | Very low | 180 Ų | 180 | 157.8 Ų | 157.8 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 152.1 | 175.4 | -55.4 | 150.3 | -0.6 | 0 | 0 | 111.1 | ||||
| 345 | E | 44.5 | Very low | 44.9 | Very low | 147 Ų | 147 | 161.8 Ų | 161.8 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | -149.5 | 163.6 | 141 | -105.4 | -63.5 | 41.2 | 0 | 0 | 111.2 | ||||
| 346 | R | 40.6 | Very low | 45.1 | Very low | 209 Ų | 209 | 157.1 Ų | 157.1 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 147 | -159.8 | -73.7 | 153.5 | -79.4 | -165.2 | -1.3 | 115.6 | ||||
| 347 | G | 38.5 | Very low | 45.3 | Very low | 74 Ų | 74 | 153.1 Ų | 153.1 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -70.4 | -177.6 | -170 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 348 | H | 46.3 | Very low | 45.6 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -144.7 | 146.4 | 173.5 | -103.1 | 55.5 | 0 | 0 | 0 | 109.5 | ||||
| 349 | S | 46.2 | Very low | 45.4 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -131.9 | 123.2 | -175.4 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 350 | P | 62.6 | Low | 45.8 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -93.2 | 115 | 152.8 | 4.2 | 16.2 | 0 | 0 | 0 | 108 | ||||
| 351 | K | 55 | Low | 45.7 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | 68.6 | 102.9 | 67.5 | -68.6 | -162 | 174.1 | -172.2 | 0 | 114.5 | |||||
| 352 | D | 44.4 | Very low | 45.7 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | 62.6 | 98.7 | 129.7 | -44.2 | -37.8 | 0 | 0 | 0 | 118.5 | |||||
| 353 | G | 46 | Very low | 45.6 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -145.1 | 78.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 354 | L | 46.8 | Very low | 46.3 | Very low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 125.7 | 177.6 | -70.9 | 167.2 | 0 | 0 | 0 | 110.9 | ||||
| 355 | Y | 43.4 | Very low | 46.3 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 92% | 0.918 | 79% | 0.789 | S | S | * | * | trans | -146.9 | 112.4 | 156.2 | -127.9 | -87.6 | 0 | 0 | 0 | 111.3 | ||||
| 356 | S | 46.2 | Very low | 46.8 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -118 | 111.4 | -178.1 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 357 | A | 52.4 | Low | 47.1 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -148.4 | 128.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 358 | S | 45.8 | Very low | 47.7 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 39.4 | 117.6 | 148.7 | -54.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 359 | R | 40.3 | Very low | 47.9 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -74.1 | 122.4 | 148.8 | -70.8 | 159.5 | 58.4 | -171.3 | -0.3 | 108.6 | ||||
| 360 | E | 50.2 | Low | 47.7 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | -127.3 | 142.8 | 164.4 | -78.1 | -171.3 | 77 | 0 | 0 | 112.1 | Y362 | E360-Y362 HydrophobicContact CB-CD2 4.46Å; E360-Y362 HydrophobicContact CB-CE2 4.04Å | ||
| 361 | S | 42.6 | Very low | 47.1 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -103.3 | 95.5 | -164.3 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | S363 | S361-S363 PolarHBondContact O-N 3.26Š| ||
| 362 | Y | 45.1 | Very low | 47 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -94.5 | 74.3 | 178.2 | -79 | -84.7 | 0 | 0 | 0 | 113.6 | E360 S364 | E360-Y362 HydrophobicContact CB-CD2 4.46Å; E360-Y362 HydrophobicContact CB-CE2 4.04Å; Y362-S364 PolarHBondContact O-N 3.29Å | ||
| 363 | S | 39.7 | Very low | 46.8 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 85.7 | 161.3 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | S361 | S361-S363 PolarHBondContact O-N 3.26Š| ||
| 364 | S | 53.7 | Low | 47 | Very low | 96 Ų | 96 | 156.7 Ų | 156.7 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -154.9 | 90.6 | 174.4 | -84 | 0 | 0 | 0 | 0 | 114.8 | Y362 | Y362-S364 PolarHBondContact O-N 3.29Š| ||
| 365 | N | 42.7 | Very low | 47.2 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | 41.8 | 83.5 | 123.5 | -166.8 | 20 | 0 | 0 | 0 | 118.5 | |||||
| 366 | T | 53.9 | Low | 47.3 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -116 | 99.8 | 160 | 39.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 367 | K | 47.6 | Very low | 47.8 | Very low | 178 Ų | 178 | 160.9 Ų | 160.9 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | -66 | 139.7 | 162.9 | -63.2 | 170.3 | 179.5 | 171.4 | 0 | 109.5 | ||||
| 368 | I | 51.8 | Low | 47.9 | Very low | 148 Ų | 148 | 166.2 Ų | 166.2 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -178 | 160.8 | 146.7 | -95.3 | 149.3 | 0 | 0 | 0 | 107 | ||||
| 369 | W | 49 | Very low | 48.1 | Very low | 242 Ų | 242 | 170.7 Ų | 170.7 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | 67.4 | 69.1 | -171.7 | -57 | 110.6 | 0 | 0 | 0 | 115.9 | ||||
| 370 | G | 42 | Very low | 49 | Very low | 70 Ų | 70 | 170.7 Ų | 170.7 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -93.1 | 136.1 | 161 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 371 | I | 51.5 | Low | 49 | Very low | 147 Ų | 147 | 172.2 Ų | 172.2 | 75% | 0.754 | 85% | 0.845 | S | S | * | * | trans | -151.4 | 108.7 | 150.5 | -85.5 | 139.5 | 0 | 0 | 0 | 106 | ||||
| 372 | P | 51 | Low | 49.3 | Very low | 118 Ų | 118 | 175.1 Ų | 175.1 | 77% | 0.766 | 85% | 0.846 | S | S | * | * | trans | -97.3 | 113.9 | 175.7 | 32.5 | -27.6 | 0 | 0 | 0 | 111.5 | R374 | P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 2.79Å | ||
| 373 | W | 41.9 | Very low | 49.5 | Very low | 251 Ų | 251 | 173.9 Ų | 173.9 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -71.9 | 81.7 | 172.2 | -96.6 | 31.9 | 0 | 0 | 0 | 111.9 | ||||
| 374 | R | 48.8 | Very low | 50.1 | Low | 238 Ų | 238 | 177.3 Ų | 177.3 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | trans | -147.7 | 85.3 | 170.3 | -79.9 | -171.6 | 170.4 | -112.5 | 2.8 | 112.6 | P372 | P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 2.79Å | ||
| 375 | S | 50.9 | Low | 49.9 | Very low | 110 Ų | 110 | 182.4 Ų | 182.4 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | trans | 178.5 | 102.9 | 139.6 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 376 | W | 45.8 | Very low | 50.4 | Low | 268 Ų | 268 | 185.2 Ų | 185.2 | 100% | 1.015 | 87% | 0.872 | S | S | * | * | trans | -149 | 87.8 | 162.2 | -105.3 | 79.9 | 0 | 0 | 0 | 107.6 | ||||
| 377 | R | 56.8 | Low | 50.1 | Low | 229 Ų | 229 | 188.4 Ų | 188.4 | 86% | 0.864 | 87% | 0.873 | S | S | * | * | trans | -154.1 | 115.3 | 175.8 | -156.3 | 179.3 | -151.1 | -128.8 | 4.4 | 111.4 | ||||
| 378 | K | 54.2 | Low | 50.3 | Low | 197 Ų | 197 | 189.2 Ų | 189.2 | 86% | 0.857 | 88% | 0.881 | S | S | * | * | trans | 55.8 | 100.2 | 170.6 | -71.5 | -166.5 | 166.6 | -158.8 | 0 | 117.5 | ||||
| 379 | Q | 51.7 | Low | 50.2 | Low | 197 Ų | 197 | 192.7 Ų | 192.7 | 92% | 0.921 | 89% | 0.891 | S | S | * | * | trans | -153.9 | 100.6 | 133.6 | -124.5 | 173.2 | -4.3 | 0 | 0 | 110.1 | ||||
| 380 | I | 58.8 | Low | 50.3 | Low | 245 Ų | 245 | 188.2 Ų | 188.2 | 100% | 1.256 | 89% | 0.888 | S | S | * | * | trans | 173.8 | 0 | 161.1 | -89.5 | 157.6 | 0 | 0 | 0 | 103.9 |
Retrieved 380 of 380 residues in 306.1 ms
(Link to these results)