| 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 | Very low | 50.5 | Low | 228 Ų | 228 | 104.9 Ų | 104.9 | 100% | 1.123 | 53% | 0.526 | S | S | * | . | 0 | 69.7 | 0 | -167.8 | -171 | -58.3 | 0 | 0 | 108.1 | |||||
| 2 | L | 39.5 | Very low | 52.9 | Low | 106 Ų | 106 | 103.2 Ų | 103.2 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | trans | -131.9 | 101.6 | -167.4 | -67.9 | 177.2 | 0 | 0 | 0 | 109 | F4 I110 | L2-F4 HydrophobicContact CB-CD2 3.58Å; L2-F4 HydrophobicContact CB-CE2 3.34Å; L2-F4 HydrophobicContact CD1-CE2 4.4Å; L2-F4 HydrophobicContact CD2-CD2 4.34Å; L2-F4 HydrophobicContact CD2-CE2 3.25Å; L2-F4 HydrophobicContact CD2-CZ 3.73Å; L2-F4 HydrophobicContact CG-CD2 4.41Å; L2-F4 HydrophobicContact CG-CE2 3.73Å; L2-I110 HydrophobicContact CD2-CG1 4.36Å | ||
| 3 | S | 39 | Very low | 55.2 | Low | 117 Ų | 117 | 95.8 Ų | 95.8 | 82% | 0.818 | 48% | 0.48 | S | S | * | . | trans | -99.5 | 101 | 170 | 172.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | F | 50.9 | Low | 57.2 | Low | 39 Ų | 39 | 90.8 Ų | 90.8 | 17% | 0.171 | 46% | 0.46 | C | S | . | . | trans | -130.8 | 146.4 | -179.5 | -64.1 | -101.4 | 0 | 0 | 0 | 111.5 | L2 K64 Y66 L92 I110 | L2-F4 HydrophobicContact CB-CD2 3.58Å; L2-F4 HydrophobicContact CB-CE2 3.34Å; L2-F4 HydrophobicContact CD1-CE2 4.4Å; L2-F4 HydrophobicContact CD2-CD2 4.34Å; L2-F4 HydrophobicContact CD2-CE2 3.25Å; L2-F4 HydrophobicContact CD2-CZ 3.73Å; L2-F4 HydrophobicContact CG-CD2 4.41Å; L2-F4 HydrophobicContact CG-CE2 3.73Å; F4-K64 HydrophobicContact CD1-CG 3.87Å; F4-K64 HydrophobicContact CE1-CD 3.77Å; F4-K64 HydrophobicContact CE1-CG 3.43Å; F4-K64 VanDerWaalsContact CE1-CG 3.43Å; F4-K64 HydrophobicContact CZ-CD 4.14Å; F4-K64 HydrophobicContact CZ-CG 4.27Å; F4-Y66 HydrophobicContact CB-CD1 3.26Å; F4-Y66 HydrophobicContact CB-CE1 3.6Å; F4-Y66 HydrophobicContact CB-CG 4.23Å; F4-Y66 HydrophobicContact CG-CD1 4.07Å; F4-L92 HydrophobicContact CD1-CD1 4.07Å; F4-L92 HydrophobicContact CD1-CG 4.39Å; F4-L92 HydrophobicContact CE1-CD1 3.27Å; F4-L92 HydrophobicContact CE1-CD2 4.21Å; F4-L92 HydrophobicContact CE1-CG 3.7Å; F4-L92 HydrophobicContact CE2-CD1 4.38Å; F4-L92 HydrophobicContact CZ-CD1 3.49Å; F4-L92 VanDerWaalsContact CZ-CD1 3.49Å; F4-L92 HydrophobicContact CZ-CG 4.35Å; F4-I110 HydrophobicContact CZ-CD1 4.48Å | ||
| 5 | T | 49 | Very low | 59 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.9 | 169.6 | -47.8 | 0 | 0 | 0 | 0 | 109.1 | E7 | T5-E7 HydrophobicContact CG2-CG 4.38Å |
| 6 | M | 44 | Very low | 60.7 | Low | 67 Ų | 67 | 92.9 Ų | 92.9 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.9 | 170.8 | -176.3 | 72.6 | 102.8 | 0 | 0 | 108.9 | Y8 Y66 I68 | M6-Y8 HydrophobicContact CG-CE2 4.12Å; M6-Y66 HydrophobicContact CB-CE1 3.74Å; M6-Y66 HydrophobicContact CE-CD2 4.13Å; M6-Y66 HydrophobicContact CE-CE2 3.21Å; M6-Y66 WeakPolarHBondContact CE-OH 3.4Å; M6-Y66 HydrophobicContact SD-CD2 3.9Å; M6-Y66 HydrophobicContact SD-CE1 4.14Å; M6-Y66 HydrophobicContact SD-CE2 3.42Å; M6-Y66 WeakPolarHBondContact SD-CE2 3.37Å; M6-Y66 HydrophobicContact SD-CG 4.46Å; M6-Y66 VanDerWaalsContact SD-CZ 3.58Å; M6-I68 HydrophobicContact CE-CB 4.49Å; M6-I68 HydrophobicContact CE-CD1 4.47Å |
| 7 | E | 52.4 | Low | 62 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 15% | 0.154 | 45% | 0.445 | C | S | . | . | trans | -120.7 | 135.5 | 176.3 | -75.4 | -174.7 | 166.4 | 0 | 0 | 112.3 | T5 F9 Y54 | T5-E7 HydrophobicContact CG2-CG 4.38Å; E7-F9 HydrophobicContact CB-CD2 4.36Å; E7-F9 HydrophobicContact CB-CE2 3.74Å; E7-F9 HydrophobicContact CB-CZ 4.26Å; E7-F9 WeakPolarHBondContact OE2-CE2 3.43Å; E7-F9 WeakPolarHBondContact OE2-CZ 3.5Å; E7-Y54 VanDerWaalsContact OE1-CZ 3.25Å; E7-Y54 PolarHBondContact OE1-OH 2.84Å; E7-Y54 WeakPolarHBondContact OE2-CE1 3.28Å; E7-Y54 VanDerWaalsContact OE2-CZ 3.32Å | ||
| 8 | Y | 48.7 | Very low | 63.2 | Low | 205 Ų | 205 | 83.7 Ų | 83.7 | 80% | 0.804 | 42% | 0.421 | S | S | * | . | trans | -100.5 | 101.9 | 177.6 | -75.4 | -88.4 | 0 | 0 | 0 | 110.3 | M6 | M6-Y8 HydrophobicContact CG-CE2 4.12Š| ||
| 9 | F | 58.8 | Low | 64.2 | Low | 27 Ų | 27 | 83.4 Ų | 83.4 | 12% | 0.118 | 42% | 0.424 | C | S | . | . | trans | -85.6 | 149.2 | 172.3 | -71.1 | -77 | 0 | 0 | 0 | 112.7 | E7 R44 Y54 Q67 | E7-F9 HydrophobicContact CB-CD2 4.36Å; E7-F9 HydrophobicContact CB-CE2 3.74Å; E7-F9 HydrophobicContact CB-CZ 4.26Å; E7-F9 WeakPolarHBondContact OE2-CE2 3.43Å; E7-F9 WeakPolarHBondContact OE2-CZ 3.5Å; F9-R44 PolarHBondContact O-NH1 3.46Å; F9-Y54 HydrophobicContact CE1-CD1 4.21Å; F9-Y54 AromaticContact CE1-CD2 3.28Å; F9-Y54 HydrophobicContact CE1-CD2 3.28Å; F9-Y54 HydrophobicContact CE1-CE2 4.01Å; F9-Y54 AromaticContact CE1-CG 3.36Å; F9-Y54 HydrophobicContact CE1-CG 3.36Å; F9-Y54 VanDerWaalsContact CZ-CB 3.49Å; F9-Y54 AromaticContact CZ-CD1 3.6Å; F9-Y54 HydrophobicContact CZ-CD1 3.6Å; F9-Y54 AromaticContact CZ-CD2 3.5Å; F9-Y54 HydrophobicContact CZ-CD2 3.5Å; F9-Y54 HydrophobicContact CZ-CE1 4.09Å; F9-Y54 HydrophobicContact CZ-CE2 4.01Å; F9-Y54 AromaticContact CZ-CG 3.23Å; F9-Y54 HydrophobicContact CZ-CG 3.23Å; F9-Q67 VanDerWaalsContact CD2-OE1 3.22Å | ||
| 10 | L | 62.5 | Low | 65 | Low | 129 Ų | 129 | 81.9 Ų | 81.9 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | trans | -51.2 | 141.8 | 170.8 | -73.8 | 163.3 | 0 | 0 | 0 | 110.9 | M12 R44 | L10-M12 VanDerWaalsContact C-N 3.28Å; L10-R44 PolarHBondContact O-NH1 2.93Å | ||
| 11 | K | 71.3 | Confident | 65.9 | Low | 119 Ų | 119 | 79.5 Ų | 79.5 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -68.4 | -31.3 | 177.4 | -67.4 | -176.9 | 179.6 | -177.2 | 0 | 112.4 | R44 | K11-R44 PolarHBondContact O-N 2.89Š|
| 12 | M | 79.5 | Confident | 67.7 | Low | 84 Ų | 84 | 69 Ų | 69 | 41% | 0.414 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146 | -177.9 | -61 | 163.5 | -162.8 | 0 | 0 | 109.4 | L10 L33 L41 S42 L43 | L10-M12 VanDerWaalsContact C-N 3.28Å; M12-L33 HydrophobicContact CE-CD2 3.99Å; M12-L33 HydrophobicContact CG-CD2 4.37Å; M12-L33 HydrophobicContact SD-CD2 3.66Å; M12-L41 HydrophobicContact SD-CD1 4.24Å; M12-S42 WeakPolarHBondContact CA-O 3.48Å; M12-L43 HydrophobicContact CG-CD2 3.86Å |
| 13 | N | 82.5 | Confident | 69.5 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.4 | 169.4 | -62 | -90.7 | 0 | 0 | 0 | 108.2 | Q15 T17 L18 L41 S42 R53 | N13-Q15 PolarHBondContact O-N 3.07Å; N13-T17 HydrophobicContact CB-CG2 4.26Å; N13-L18 HydrophobicContact CB-CD1 4.4Å; N13-L18 HydrophobicContact CB-CD2 4.02Å; N13-L18 HydrophobicContact CB-CG 4.14Å; N13-L41 WeakPolarHBondContact O-CA 3.31Å; N13-S42 PolarHBondContact N-O 2.93Å; N13-S42 PolarHBondContact O-N 3.14Å; N13-R53 PolarHBondContact OD1-NH2 3.22Å |
| 14 | A | 84.2 | Confident | 71.1 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 137 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E16 T17 | A14-E16 HydrophobicContact CB-CG 3.98Å; A14-E16 PolarHBondContact O-N 3.5Å; A14-T17 WeakPolarHBondContact O-CB 3.29Å; A14-T17 PolarHBondContact O-N 2.74Å; A14-T17 PolarHBondContact O-OG1 2.68Å |
| 15 | Q | 83.1 | Confident | 72 | Confident | 55 Ų | 55 | 70.7 Ų | 70.7 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.3 | -40.1 | -175.2 | -174.6 | 174.5 | 23.6 | 0 | 0 | 111.5 | N13 T17 L18 T19 D32 L40 S42 | N13-Q15 PolarHBondContact O-N 3.07Å; Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.16Å; Q15-L18 PolarHBondContact O-N 2.92Å; Q15-T19 PolarHBondContact O-N 3.34Å; Q15-T19 VanDerWaalsContact O-N 3.09Å; Q15-T19 PolarHBondContact O-OG1 3.27Å; Q15-D32 VanDerWaalsContact NE2-CG 3.3Å; Q15-D32 PolarHBondContact NE2-OD1 2.88Å; Q15-D32 PolarHBondContact NE2-OD2 2.73Å; Q15-L40 HydrophobicContact CB-CB 4.17Å; Q15-L40 PolarHBondContact N-O 2.83Å; Q15-S42 WeakPolarHBondContact CB-OG 3.44Å; Q15-S42 WeakPolarHBondContact CG-OG 3.36Å |
| 16 | E | 86.2 | Confident | 73.2 | Confident | 160 Ų | 160 | 67 Ų | 67 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.4 | -26.5 | 175.4 | 60.2 | 171.5 | -161.2 | 0 | 0 | 114.6 | A14 L18 | A14-E16 HydrophobicContact CB-CG 3.98Å; A14-E16 PolarHBondContact O-N 3.5Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.72Å |
| 17 | T | 83.7 | Confident | 75 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | N13 A14 Q15 R53 F295 | N13-T17 HydrophobicContact CB-CG2 4.26Å; A14-T17 WeakPolarHBondContact O-CB 3.29Å; A14-T17 PolarHBondContact O-N 2.74Å; A14-T17 PolarHBondContact O-OG1 2.68Å; Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.16Å; T17-R53 HydrophobicContact CG2-CB 4.11Å; T17-R53 HydrophobicContact CG2-CG 3.87Å; T17-F295 HydrophobicContact CG2-CE1 3.67Å; T17-F295 HydrophobicContact CG2-CZ 4.1Å; T17-F295 WeakPolarHBondContact O-CZ 3.31Å |
| 18 | L | 83.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -97.6 | -28.3 | -171.7 | -56.5 | -167.9 | 0 | 0 | 0 | 112.7 | N13 Q15 E16 G20 K21 Y22 I30 L43 V49 | N13-L18 HydrophobicContact CB-CD1 4.4Å; N13-L18 HydrophobicContact CB-CD2 4.02Å; N13-L18 HydrophobicContact CB-CG 4.14Å; Q15-L18 PolarHBondContact O-N 2.92Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.72Å; L18-G20 PolarHBondContact O-N 2.96Å; L18-K21 PolarHBondContact O-N 3.33Å; L18-Y22 HydrophobicContact CB-CE2 4.01Å; L18-Y22 WeakPolarHBondContact O-CD2 3.38Å; L18-Y22 VanDerWaalsContact O-CE2 3.31Å; L18-Y22 WeakPolarHBondContact O-CE2 3.36Å; L18-I30 HydrophobicContact CB-CD1 4.02Å; L18-I30 HydrophobicContact CD1-CG2 4.37Å; L18-L43 WeakPolarHBondContact CD1-O 3.18Å; L18-V49 HydrophobicContact CD2-CG1 4.01Å |
| 19 | T | 82.4 | Confident | 78.4 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 133.2 | -176.8 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | Q15 K21 | Q15-T19 PolarHBondContact O-N 3.34Å; Q15-T19 VanDerWaalsContact O-N 3.09Å; Q15-T19 PolarHBondContact O-OG1 3.27Å; T19-K21 VanDerWaalsContact C-N 3.3Å; T19-K21 PolarHBondContact O-N 3.46Å |
| 20 | G | 81 | Confident | 80 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L18 | L18-G20 PolarHBondContact O-N 2.96Š|
| 21 | K | 82.4 | Confident | 81.4 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 14% | 0.135 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -97.6 | -22.6 | -179.1 | -50.5 | -52.9 | -178.5 | -159.9 | 0 | 114.4 | L18 T19 V49 M294 F295 | L18-K21 PolarHBondContact O-N 3.33Å; T19-K21 VanDerWaalsContact C-N 3.3Å; T19-K21 PolarHBondContact O-N 3.46Å; K21-V49 HydrophobicContact CB-CG1 4.36Å; K21-V49 HydrophobicContact CB-CG2 3.94Å; K21-V49 HydrophobicContact CG-CG1 4.13Å; K21-M294 HydrophobicContact CD-CB 4.46Å; K21-M294 HydrophobicContact CD-CE 3.69Å; K21-M294 HydrophobicContact CD-SD 3.52Å; K21-M294 VanDerWaalsContact CD-SD 3.52Å; K21-F295 HydrophobicContact CD-CZ 4.46Å; K21-F295 HydrophobicContact CG-CZ 4.49Å |
| 22 | Y | 78.1 | Confident | 82.4 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -110.9 | 8.9 | -170.6 | -51.1 | -74.9 | 0 | 0 | 0 | 114.1 | L18 I30 Y45 D46 V49 L251 | L18-Y22 HydrophobicContact CB-CE2 4.01Å; L18-Y22 WeakPolarHBondContact O-CD2 3.38Å; L18-Y22 VanDerWaalsContact O-CE2 3.31Å; L18-Y22 WeakPolarHBondContact O-CE2 3.36Å; Y22-I30 HydrophobicContact CD2-CD1 3.92Å; Y22-I30 HydrophobicContact CE2-CD1 3.94Å; Y22-Y45 AromaticContact CD1-CD1 3.67Å; Y22-Y45 HydrophobicContact CD1-CD1 3.67Å; Y22-Y45 HydrophobicContact CD1-CE1 4.24Å; Y22-Y45 HydrophobicContact CD1-CG 4.4Å; Y22-Y45 AromaticContact CE1-CD1 3.77Å; Y22-Y45 HydrophobicContact CE1-CD1 3.77Å; Y22-Y45 HydrophobicContact CE1-CG 4.33Å; Y22-Y45 HydrophobicContact CG-CD1 4.06Å; Y22-Y45 HydrophobicContact CG-CG 4.49Å; Y22-D46 HydrophobicContact CE1-CB 4.44Å; Y22-D46 WeakPolarHBondContact CE1-OD2 3.32Å; Y22-D46 PolarHBondContact OH-OD1 2.89Å; Y22-V49 HydrophobicContact CD1-CG2 4.18Å; Y22-V49 HydrophobicContact CE1-CB 4.09Å; Y22-V49 HydrophobicContact CE1-CG2 3.32Å; Y22-V49 HydrophobicContact CE2-CG2 4.48Å; Y22-V49 VanDerWaalsContact OH-CB 3.31Å; Y22-V49 WeakPolarHBondContact OH-CB 3.5Å; Y22-L251 HydrophobicContact CD1-CD1 4.48Å; Y22-L251 HydrophobicContact CD1-CD2 4.27Å |
| 23 | G | 75.9 | Confident | 83 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | 73.8 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E25 S27 D252 | G23-E25 PolarHBondContact O-N 3.41Å; G23-S27 VanDerWaalsContact O-CB 3.28Å; G23-S27 WeakPolarHBondContact O-CB 3.41Å; G23-S27 PolarHBondContact O-N 2.93Å; G23-S27 PolarHBondContact O-OG 3.34Å; G23-D252 WeakPolarHBondContact CA-OD2 3.14Å; G23-D252 PolarHBondContact N-OD2 3.37Å |
| 24 | E | 72.6 | Confident | 83.5 | Confident | 142 Ų | 142 | 63.9 Ų | 63.9 | 66% | 0.664 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | -174.1 | -74.5 | -165.5 | 164.1 | 0 | 0 | 112.7 | K28 | E24-K28 WeakPolarHBondContact O-CD 3.33Å; E24-K28 VanDerWaalsContact O-CG 3.23Å; E24-K28 WeakPolarHBondContact O-CG 3.3Å; E24-K28 PolarHBondContact O-N 2.99Å |
| 25 | E | 70.8 | Confident | 83.9 | Confident | 146 Ų | 146 | 67.7 Ų | 67.7 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.5 | -49.9 | -179.9 | -66.6 | -164 | 158.7 | 0 | 0 | 111.3 | G23 S27 K28 L29 | G23-E25 PolarHBondContact O-N 3.41Å; E25-S27 VanDerWaalsContact C-N 3.33Å; E25-S27 PolarHBondContact O-N 3.35Å; E25-K28 PolarHBondContact O-N 3.07Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.31Å |
| 26 | G | 74.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K28 L29 | G26-K28 VanDerWaalsContact C-N 3.34Å; G26-K28 PolarHBondContact O-N 3.26Å; G26-L29 PolarHBondContact O-N 3.24Å |
| 27 | S | 80.9 | Confident | 84.4 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -30.7 | 178.6 | -72.6 | 0 | 0 | 0 | 0 | 113.8 | G23 E25 L29 | G23-S27 VanDerWaalsContact O-CB 3.28Å; G23-S27 WeakPolarHBondContact O-CB 3.41Å; G23-S27 PolarHBondContact O-N 2.93Å; G23-S27 PolarHBondContact O-OG 3.34Å; E25-S27 VanDerWaalsContact C-N 3.33Å; E25-S27 PolarHBondContact O-N 3.35Å; S27-L29 PolarHBondContact O-N 3.18Å |
| 28 | K | 84.5 | Confident | 84.7 | Confident | 153 Ų | 153 | 71.3 Ų | 71.3 | 67% | 0.665 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.5 | -18.8 | 175.6 | -72.7 | 168.5 | -171.6 | 171 | 0 | 113.1 | E24 E25 G26 | E24-K28 WeakPolarHBondContact O-CD 3.33Å; E24-K28 VanDerWaalsContact O-CG 3.23Å; E24-K28 WeakPolarHBondContact O-CG 3.3Å; E24-K28 PolarHBondContact O-N 2.99Å; E25-K28 PolarHBondContact O-N 3.07Å; G26-K28 VanDerWaalsContact C-N 3.34Å; G26-K28 PolarHBondContact O-N 3.26Å |
| 29 | L | 88.4 | Confident | 84.9 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.3 | -174.5 | -61.4 | 175.3 | 0 | 0 | 0 | 113.2 | E25 G26 S27 Y45 R74 | E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.31Å; G26-L29 PolarHBondContact O-N 3.24Å; S27-L29 PolarHBondContact O-N 3.18Å; L29-Y45 HydrophobicContact CB-CE2 3.92Å; L29-R74 HydrophobicContact CD2-CB 4.49Å; L29-R74 WeakPolarHBondContact CD2-O 3.35Å; L29-R74 WeakPolarHBondContact O-CB 3.23Å; L29-R74 WeakPolarHBondContact O-CG 3.4Å; L29-R74 PolarHBondContact O-N 2.94Å |
| 30 | I | 91.1 | Very high | 85.4 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | trans | -77.8 | 140.6 | 178.7 | -61.4 | 174.6 | 0 | 0 | 0 | 110.4 | L18 Y22 Y45 R74 | L18-I30 HydrophobicContact CB-CD1 4.02Å; L18-I30 HydrophobicContact CD1-CG2 4.37Å; Y22-I30 HydrophobicContact CD2-CD1 3.92Å; Y22-I30 HydrophobicContact CE2-CD1 3.94Å; I30-Y45 HydrophobicContact CG1-CD2 4.41Å; I30-R74 WeakPolarHBondContact O-CD 3.46Å | ||
| 31 | Y | 92.6 | Very high | 86 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | trans | -86.4 | 110.9 | 168.9 | -80.9 | -82 | 0 | 0 | 0 | 110 | S42 L43 R74 R85 | Y31-S42 CarbonylContact O-C 3.51Å; Y31-S42 VanDerWaalsContact O-CA 3.29Å; Y31-S42 WeakPolarHBondContact O-CA 3.37Å; Y31-L43 HydrophobicContact CG-CD1 4.4Å; Y31-L43 PolarHBondContact O-N 3.34Å; Y31-R74 HydrophobicContact CD1-CG 3.61Å; Y31-R74 HydrophobicContact CD2-CG 3.41Å; Y31-R74 VanDerWaalsContact CD2-CG 3.41Å; Y31-R74 HydrophobicContact CE1-CG 3.51Å; Y31-R74 HydrophobicContact CE2-CB 4.15Å; Y31-R74 HydrophobicContact CE2-CG 3.31Å; Y31-R74 HydrophobicContact CG-CG 3.56Å; Y31-R85 HydrophobicContact CE2-CB 4.39Å; Y31-R85 VanDerWaalsContact OH-CD 3.25Å; Y31-R85 WeakPolarHBondContact OH-CD 3.46Å | ||
| 32 | D | 92.7 | Very high | 86.5 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -89.5 | 143.9 | 171.5 | -61.3 | -35.6 | 0 | 0 | 0 | 110.5 | Q15 S42 | Q15-D32 VanDerWaalsContact NE2-CG 3.3Å; Q15-D32 PolarHBondContact NE2-OD1 2.88Å; Q15-D32 PolarHBondContact NE2-OD2 2.73Å; D32-S42 WeakPolarHBondContact OD1-CB 3.44Å; D32-S42 PolarHBondContact OD1-OG 3.46Å |
| 33 | L | 92 | Very high | 87.3 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.335 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 155.1 | 172 | -81 | 69.5 | 0 | 0 | 0 | 109.8 | M12 L41 L43 | M12-L33 HydrophobicContact CE-CD2 3.99Å; M12-L33 HydrophobicContact CG-CD2 4.37Å; M12-L33 HydrophobicContact SD-CD2 3.66Å; L33-L41 HydrophobicContact CB-CB 4.34Å; L33-L41 WeakPolarHBondContact CB-O 3.24Å; L33-L41 HydrophobicContact CD1-CB 4.45Å; L33-L41 HydrophobicContact CD2-CB 4.17Å; L33-L41 HydrophobicContact CD2-CD1 4.47Å; L33-L41 PolarHBondContact N-O 3.13Å; L33-L43 HydrophobicContact CD1-CD2 4.17Å; L33-L43 HydrophobicContact CD1-CG 4.05Å |
| 34 | E | 92.3 | Very high | 88 | Confident | 162 Ų | 162 | 79 Ų | 79 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 139.9 | 174.4 | -172.1 | 173 | -157.1 | 0 | 0 | 110.8 | Q36 | E34-Q36 PolarHBondContact O-N 2.83Š|
| 35 | D | 92.7 | Very high | 88.9 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | trans | -70.5 | 112.3 | 174.4 | -176.4 | -1.7 | 0 | 0 | 0 | 109.9 | G37 L40 | D35-G37 PolarHBondContact OD1-N 2.9Å; D35-L40 HydrophobicContact CB-CD2 3.8Å | ||
| 36 | Q | 91.7 | Very high | 89.9 | Confident | 176 Ų | 176 | 66.4 Ų | 66.4 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | trans | -107.9 | 22.6 | 178.7 | -63.9 | -176.9 | -20.7 | 0 | 0 | 112.1 | E34 | E34-Q36 PolarHBondContact O-N 2.83Š| ||
| 37 | G | 88.7 | Confident | 90.9 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 83.7 | 16.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D35 | D35-G37 PolarHBondContact OD1-N 2.9Š|
| 38 | G | 89.3 | Confident | 91.5 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -118.8 | -156.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 39 | E | 88.4 | Confident | 91.9 | Very high | 167 Ų | 167 | 57.6 Ų | 57.6 | 78% | 0.78 | 32% | 0.316 | S | S | * | . | trans | -66.6 | 138.7 | 171.4 | -65.3 | 179.6 | 132.4 | 0 | 0 | 110.4 | L41 | E39-L41 HydrophobicContact CB-CD2 4.49Å; E39-L41 PolarHBondContact O-N 3.41Å | ||
| 40 | L | 93 | Very high | 92.1 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -72.1 | 124.4 | 173.4 | -63.5 | 176.6 | 0 | 0 | 0 | 109.6 | Q15 D35 | Q15-L40 HydrophobicContact CB-CB 4.17Å; Q15-L40 PolarHBondContact N-O 2.83Å; D35-L40 HydrophobicContact CB-CD2 3.8Å | ||
| 41 | L | 92.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 149.9 | -174.3 | -62.2 | 178.8 | 0 | 0 | 0 | 111.4 | M12 N13 L33 E39 | M12-L41 HydrophobicContact SD-CD1 4.24Å; N13-L41 WeakPolarHBondContact O-CA 3.31Å; L33-L41 HydrophobicContact CB-CB 4.34Å; L33-L41 WeakPolarHBondContact CB-O 3.24Å; L33-L41 HydrophobicContact CD1-CB 4.45Å; L33-L41 HydrophobicContact CD2-CB 4.17Å; L33-L41 HydrophobicContact CD2-CD1 4.47Å; L33-L41 PolarHBondContact N-O 3.13Å; E39-L41 HydrophobicContact CB-CD2 4.49Å; E39-L41 PolarHBondContact O-N 3.41Å |
| 42 | S | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.8 | 174 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | M12 N13 Q15 Y31 D32 | M12-S42 WeakPolarHBondContact CA-O 3.48Å; N13-S42 PolarHBondContact N-O 2.93Å; N13-S42 PolarHBondContact O-N 3.14Å; Q15-S42 WeakPolarHBondContact CB-OG 3.44Å; Q15-S42 WeakPolarHBondContact CG-OG 3.36Å; Y31-S42 CarbonylContact O-C 3.51Å; Y31-S42 VanDerWaalsContact O-CA 3.29Å; Y31-S42 WeakPolarHBondContact O-CA 3.37Å; D32-S42 WeakPolarHBondContact OD1-CB 3.44Å; D32-S42 PolarHBondContact OD1-OG 3.46Å |
| 43 | L | 94.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 140.8 | 170.5 | -60.8 | 178.3 | 0 | 0 | 0 | 109.9 | M12 L18 Y31 L33 Y45 Y72 | M12-L43 HydrophobicContact CG-CD2 3.86Å; L18-L43 WeakPolarHBondContact CD1-O 3.18Å; Y31-L43 HydrophobicContact CG-CD1 4.4Å; Y31-L43 PolarHBondContact O-N 3.34Å; L33-L43 HydrophobicContact CD1-CD2 4.17Å; L33-L43 HydrophobicContact CD1-CG 4.05Å; L43-Y45 PolarHBondContact O-N 3.48Å; L43-Y72 HydrophobicContact CB-CD2 3.79Å; L43-Y72 HydrophobicContact CB-CG 3.92Å; L43-Y72 HydrophobicContact CD1-CD1 3.86Å; L43-Y72 HydrophobicContact CD1-CD2 4.09Å; L43-Y72 HydrophobicContact CD1-CE1 4.35Å; L43-Y72 HydrophobicContact CD1-CG 3.72Å; L43-Y72 HydrophobicContact CG-CD2 4.36Å; L43-Y72 HydrophobicContact CG-CG 4.38Å |
| 44 | R | 92.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | trans | -62.6 | 131 | 179.5 | 66.3 | -169.7 | 174.6 | -149.8 | -0.1 | 112.3 | F9 L10 K11 P50 K70 V71 Y72 | F9-R44 PolarHBondContact O-NH1 3.46Å; L10-R44 PolarHBondContact O-NH1 2.93Å; K11-R44 PolarHBondContact O-N 2.89Å; R44-P50 HydrophobicContact CB-CG 4.09Å; R44-K70 PolarHBondContact NE-O 3.41Å; R44-K70 PolarHBondContact NH2-O 3.16Å; R44-V71 HydrophobicContact CG-CG1 4.42Å; R44-Y72 PolarHBondContact O-N 2.91Å | ||
| 45 | Y | 90.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.7 | -34.1 | 177.3 | -178.2 | -90.1 | 0 | 0 | 0 | 112.6 | Y22 L29 I30 L43 R73 L251 | Y22-Y45 AromaticContact CD1-CD1 3.67Å; Y22-Y45 HydrophobicContact CD1-CD1 3.67Å; Y22-Y45 HydrophobicContact CD1-CE1 4.24Å; Y22-Y45 HydrophobicContact CD1-CG 4.4Å; Y22-Y45 AromaticContact CE1-CD1 3.77Å; Y22-Y45 HydrophobicContact CE1-CD1 3.77Å; Y22-Y45 HydrophobicContact CE1-CG 4.33Å; Y22-Y45 HydrophobicContact CG-CD1 4.06Å; Y22-Y45 HydrophobicContact CG-CG 4.49Å; L29-Y45 HydrophobicContact CB-CE2 3.92Å; I30-Y45 HydrophobicContact CG1-CD2 4.41Å; L43-Y45 PolarHBondContact O-N 3.48Å; Y45-R73 HydrophobicContact CD2-CB 4.24Å; Y45-R73 HydrophobicContact CD2-CG 3.63Å; Y45-R73 HydrophobicContact CE2-CB 3.92Å; Y45-R73 HydrophobicContact CE2-CG 3.49Å; Y45-R73 VanDerWaalsContact CE2-CG 3.49Å; Y45-R73 HydrophobicContact CG-CG 4.24Å; Y45-R73 VanDerWaalsContact CZ-CD 3.48Å; Y45-R73 PolarHBondContact O-NE 2.94Å; Y45-R73 PolarHBondContact O-NH2 3.44Å; Y45-L251 HydrophobicContact CE1-CD2 4.29Å |
| 46 | D | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -140.7 | -173 | 172.3 | 74.7 | 9.1 | 0 | 0 | 0 | 111.6 | Y22 T48 V49 P50 Q89 Y253 | Y22-D46 HydrophobicContact CE1-CB 4.44Å; Y22-D46 WeakPolarHBondContact CE1-OD2 3.32Å; Y22-D46 PolarHBondContact OH-OD1 2.89Å; D46-T48 PolarHBondContact OD1-N 2.84Å; D46-T48 VanDerWaalsContact OD1-N 3.15Å; D46-V49 PolarHBondContact OD1-N 2.8Å; D46-P50 WeakPolarHBondContact O-CG 3.32Å; D46-Q89 VanDerWaalsContact CA-OE1 3.31Å; D46-Y253 PolarHBondContact OD2-OH 3.31Å | ||
| 47 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -103.2 | -15.4 | 173 | -45.7 | 177.4 | 0 | 0 | 0 | 112.8 | F51 Q67 A69 V71 Q89 D91 | L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 PolarHBondContact O-N 2.78Å; L47-F51 VanDerWaalsContact O-N 3.11Å; L47-Q67 HydrophobicContact CD1-CB 4.19Å; L47-Q67 HydrophobicContact CD1-CG 4Å; L47-Q67 WeakPolarHBondContact CD1-O 3.33Å; L47-A69 HydrophobicContact CD1-CB 4.25Å; L47-A69 HydrophobicContact CD2-CB 4Å; L47-V71 HydrophobicContact CD2-CG1 3.48Å; L47-V71 VanDerWaalsContact CD2-CG1 3.48Å; L47-V71 HydrophobicContact CG-CG1 3.91Å; L47-Q89 HydrophobicContact CD1-CB 3.84Å; L47-Q89 HydrophobicContact CG-CB 4.18Å; L47-D91 HydrophobicContact CB-CB 4.39Å; L47-D91 WeakPolarHBondContact CB-OD2 3.42Å; L47-D91 HydrophobicContact CD1-CB 4.18Å |
| 48 | T | 94 | Very high | 92.7 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.8 | -44.7 | -177.9 | -41.4 | 0 | 0 | 0 | 0 | 112.7 | D46 F51 A52 Y253 Y288 L291 | D46-T48 PolarHBondContact OD1-N 2.84Å; D46-T48 VanDerWaalsContact OD1-N 3.15Å; T48-F51 WeakPolarHBondContact O-CB 3.41Å; T48-F51 PolarHBondContact O-N 3.05Å; T48-A52 PolarHBondContact O-N 2.85Å; T48-Y253 HydrophobicContact CG2-CE2 4.43Å; T48-Y253 PolarHBondContact OG1-OH 3.15Å; T48-Y288 HydrophobicContact CG2-CD1 4.49Å; T48-Y288 HydrophobicContact CG2-CD2 4.09Å; T48-Y288 HydrophobicContact CG2-CE1 4.02Å; T48-Y288 HydrophobicContact CG2-CE2 3.57Å; T48-L291 HydrophobicContact CG2-CD2 3.82Å |
| 49 | V | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L18 K21 Y22 D46 F51 A52 R53 L291 F295 | L18-V49 HydrophobicContact CD2-CG1 4.01Å; K21-V49 HydrophobicContact CB-CG1 4.36Å; K21-V49 HydrophobicContact CB-CG2 3.94Å; K21-V49 HydrophobicContact CG-CG1 4.13Å; Y22-V49 HydrophobicContact CD1-CG2 4.18Å; Y22-V49 HydrophobicContact CE1-CB 4.09Å; Y22-V49 HydrophobicContact CE1-CG2 3.32Å; Y22-V49 HydrophobicContact CE2-CG2 4.48Å; Y22-V49 VanDerWaalsContact OH-CB 3.31Å; Y22-V49 WeakPolarHBondContact OH-CB 3.5Å; D46-V49 PolarHBondContact OD1-N 2.8Å; V49-F51 PolarHBondContact O-N 3.11Å; V49-A52 PolarHBondContact O-N 2.87Å; V49-R53 PolarHBondContact O-N 3.46Å; V49-L291 HydrophobicContact CG2-CD1 4.35Å; V49-L291 HydrophobicContact CG2-CD2 4.24Å; V49-F295 HydrophobicContact CG1-CE2 4.21Å; V49-F295 HydrophobicContact CG1-CZ 3.7Å |
| 50 | P | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.4 | -38.2 | 169.4 | -28.3 | 35.6 | 0 | 0 | 0 | 113.7 | R44 D46 R53 Y54 | R44-P50 HydrophobicContact CB-CG 4.09Å; D46-P50 WeakPolarHBondContact O-CG 3.32Å; P50-R53 PolarHBondContact O-N 2.91Å; P50-Y54 PolarHBondContact O-N 2.8Å |
| 51 | F | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -44.7 | 177.1 | 172.6 | -125.3 | 0 | 0 | 0 | 112.7 | L47 T48 V49 R53 Y54 L55 I63 R65 D93 A95 | L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 PolarHBondContact O-N 2.78Å; L47-F51 VanDerWaalsContact O-N 3.11Å; T48-F51 WeakPolarHBondContact O-CB 3.41Å; T48-F51 PolarHBondContact O-N 3.05Å; V49-F51 PolarHBondContact O-N 3.11Å; F51-R53 VanDerWaalsContact C-N 3.26Å; F51-R53 PolarHBondContact O-N 3.49Å; F51-Y54 HydrophobicContact CD2-CD1 4.38Å; F51-Y54 WeakPolarHBondContact O-CB 3.33Å; F51-Y54 PolarHBondContact O-N 3Å; F51-L55 HydrophobicContact CD1-CD1 4.35Å; F51-L55 HydrophobicContact CD2-CG 4.17Å; F51-L55 HydrophobicContact CE1-CD1 3.84Å; F51-L55 HydrophobicContact CE1-CG 4.45Å; F51-L55 HydrophobicContact CE2-CD1 4.03Å; F51-L55 HydrophobicContact CE2-CD2 3.69Å; F51-L55 HydrophobicContact CE2-CG 3.75Å; F51-L55 HydrophobicContact CZ-CD1 3.66Å; F51-L55 HydrophobicContact CZ-CD2 3.89Å; F51-L55 HydrophobicContact CZ-CG 3.92Å; F51-L55 WeakPolarHBondContact O-CG 3.37Å; F51-L55 PolarHBondContact O-N 3.18Å; F51-I63 HydrophobicContact CE2-CG2 3.81Å; F51-I63 HydrophobicContact CZ-CG2 3.71Å; F51-R65 HydrophobicContact CD2-CG 4.11Å; F51-R65 HydrophobicContact CE2-CG 3.6Å; F51-R65 HydrophobicContact CZ-CG 3.87Å; F51-D93 HydrophobicContact CD1-CB 4.01Å; F51-D93 HydrophobicContact CE1-CB 3.55Å; F51-D93 HydrophobicContact CZ-CB 4.29Å; F51-A95 HydrophobicContact CE1-CB 4.32Å; F51-A95 HydrophobicContact CZ-CB 3.98Å |
| 52 | A | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T48 V49 L55 A56 L291 V292 F295 | T48-A52 PolarHBondContact O-N 2.85Å; V49-A52 PolarHBondContact O-N 2.87Å; A52-L55 PolarHBondContact O-N 2.9Å; A52-A56 PolarHBondContact O-N 3.05Å; A52-A56 VanDerWaalsContact O-N 3.15Å; A52-L291 HydrophobicContact CB-CB 4.37Å; A52-L291 HydrophobicContact CB-CD2 3.94Å; A52-L291 HydrophobicContact CB-CG 3.72Å; A52-V292 HydrophobicContact CB-CG2 4.08Å; A52-F295 HydrophobicContact CB-CD2 3.9Å; A52-F295 HydrophobicContact CB-CE2 3.82Å |
| 53 | R | 92 | Very high | 93.5 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 15% | 0.151 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 173.4 | -177.7 | -90.9 | -61.9 | 174.4 | -4.3 | 112 | N13 T17 V49 P50 F51 A56 M57 F295 | N13-R53 PolarHBondContact OD1-NH2 3.22Å; T17-R53 HydrophobicContact CG2-CB 4.11Å; T17-R53 HydrophobicContact CG2-CG 3.87Å; V49-R53 PolarHBondContact O-N 3.46Å; P50-R53 PolarHBondContact O-N 2.91Å; F51-R53 VanDerWaalsContact C-N 3.26Å; F51-R53 PolarHBondContact O-N 3.49Å; R53-A56 PolarHBondContact O-N 3.38Å; R53-M57 WeakPolarHBondContact CD-SD 3.24Å; R53-M57 HydrophobicContact CG-CG 4.46Å; R53-M57 HydrophobicContact CG-SD 4.19Å; R53-M57 WeakPolarHBondContact O-CB 3.37Å; R53-M57 VanDerWaalsContact O-CG 3.3Å; R53-M57 WeakPolarHBondContact O-CG 3.32Å; R53-M57 PolarHBondContact O-N 3.33Å; R53-F295 HydrophobicContact CB-CD1 4.07Å; R53-F295 HydrophobicContact CB-CD2 4.36Å; R53-F295 HydrophobicContact CB-CE1 4.1Å; R53-F295 HydrophobicContact CB-CE2 4.37Å; R53-F295 HydrophobicContact CB-CG 4.21Å; R53-F295 HydrophobicContact CB-CZ 4.25Å; R53-F295 HydrophobicContact CG-CD1 4.2Å; R53-F295 HydrophobicContact CG-CE1 4.37Å |
| 54 | Y | 93.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.5 | 172.4 | -109.1 | 0 | 0 | 0 | 113.2 | E7 F9 P50 F51 A56 M57 N58 I60 I63 | E7-Y54 VanDerWaalsContact OE1-CZ 3.25Å; E7-Y54 PolarHBondContact OE1-OH 2.84Å; E7-Y54 WeakPolarHBondContact OE2-CE1 3.28Å; E7-Y54 VanDerWaalsContact OE2-CZ 3.32Å; F9-Y54 HydrophobicContact CE1-CD1 4.21Å; F9-Y54 AromaticContact CE1-CD2 3.28Å; F9-Y54 HydrophobicContact CE1-CD2 3.28Å; F9-Y54 HydrophobicContact CE1-CE2 4.01Å; F9-Y54 AromaticContact CE1-CG 3.36Å; F9-Y54 HydrophobicContact CE1-CG 3.36Å; F9-Y54 VanDerWaalsContact CZ-CB 3.49Å; F9-Y54 AromaticContact CZ-CD1 3.6Å; F9-Y54 HydrophobicContact CZ-CD1 3.6Å; F9-Y54 AromaticContact CZ-CD2 3.5Å; F9-Y54 HydrophobicContact CZ-CD2 3.5Å; F9-Y54 HydrophobicContact CZ-CE1 4.09Å; F9-Y54 HydrophobicContact CZ-CE2 4.01Å; F9-Y54 AromaticContact CZ-CG 3.23Å; F9-Y54 HydrophobicContact CZ-CG 3.23Å; P50-Y54 PolarHBondContact O-N 2.8Å; F51-Y54 HydrophobicContact CD2-CD1 4.38Å; F51-Y54 WeakPolarHBondContact O-CB 3.33Å; F51-Y54 PolarHBondContact O-N 3Å; Y54-A56 VanDerWaalsContact C-N 3.33Å; Y54-A56 PolarHBondContact O-N 3.44Å; Y54-M57 PolarHBondContact O-N 2.95Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.43Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.49Å; Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.15Å; Y54-I60 HydrophobicContact CD1-CD1 4.21Å; Y54-I60 HydrophobicContact CE1-CD1 3.49Å; Y54-I60 VanDerWaalsContact CE1-CD1 3.49Å; Y54-I63 HydrophobicContact CE1-CD1 4.48Å |
| 55 | L | 94.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.7 | -50.3 | 176.7 | -69 | 176.6 | 0 | 0 | 0 | 110.8 | F51 A52 N58 K59 I60 I63 A95 V292 V302 | F51-L55 HydrophobicContact CD1-CD1 4.35Å; F51-L55 HydrophobicContact CD2-CG 4.17Å; F51-L55 HydrophobicContact CE1-CD1 3.84Å; F51-L55 HydrophobicContact CE1-CG 4.45Å; F51-L55 HydrophobicContact CE2-CD1 4.03Å; F51-L55 HydrophobicContact CE2-CD2 3.69Å; F51-L55 HydrophobicContact CE2-CG 3.75Å; F51-L55 HydrophobicContact CZ-CD1 3.66Å; F51-L55 HydrophobicContact CZ-CD2 3.89Å; F51-L55 HydrophobicContact CZ-CG 3.92Å; F51-L55 WeakPolarHBondContact O-CG 3.37Å; F51-L55 PolarHBondContact O-N 3.18Å; A52-L55 PolarHBondContact O-N 2.9Å; L55-N58 PolarHBondContact O-N 3.07Å; L55-K59 WeakPolarHBondContact O-CA 3.46Å; L55-K59 PolarHBondContact O-N 3.02Å; L55-I60 HydrophobicContact CD2-CB 3.85Å; L55-I60 HydrophobicContact CD2-CG2 3.71Å; L55-I60 PolarHBondContact O-N 3.43Å; L55-I63 HydrophobicContact CD2-CG2 3.41Å; L55-I63 VanDerWaalsContact CD2-CG2 3.41Å; L55-A95 HydrophobicContact CD1-CB 3.81Å; L55-A95 HydrophobicContact CD2-CB 4.35Å; L55-V292 HydrophobicContact CB-CG1 4.09Å; L55-V292 HydrophobicContact CD1-CG2 3.7Å; L55-V302 HydrophobicContact CD1-CG1 4.41Å |
| 56 | A | 93 | Very high | 94.2 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A52 R53 Y54 N58 K59 V292 F295 L296 | A52-A56 PolarHBondContact O-N 3.05Å; A52-A56 VanDerWaalsContact O-N 3.15Å; R53-A56 PolarHBondContact O-N 3.38Å; Y54-A56 VanDerWaalsContact C-N 3.33Å; Y54-A56 PolarHBondContact O-N 3.44Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.89Å; A56-K59 PolarHBondContact O-N 3.34Å; A56-V292 HydrophobicContact CB-CG1 4.28Å; A56-F295 HydrophobicContact CB-CB 3.44Å; A56-F295 VanDerWaalsContact CB-CB 3.44Å; A56-L296 HydrophobicContact CB-CD2 3.79Å; A56-L296 HydrophobicContact CB-CG 4.2Å |
| 57 | M | 91.5 | Very high | 94.4 | Very high | 131 Ų | 131 | 43.9 Ų | 43.9 | 65% | 0.645 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.8 | -40 | 180 | -76.9 | -176.2 | 76.3 | 0 | 0 | 112.8 | R53 Y54 | R53-M57 WeakPolarHBondContact CD-SD 3.24Å; R53-M57 HydrophobicContact CG-CG 4.46Å; R53-M57 HydrophobicContact CG-SD 4.19Å; R53-M57 WeakPolarHBondContact O-CB 3.37Å; R53-M57 VanDerWaalsContact O-CG 3.3Å; R53-M57 WeakPolarHBondContact O-CG 3.32Å; R53-M57 PolarHBondContact O-N 3.33Å; Y54-M57 PolarHBondContact O-N 2.95Å |
| 58 | N | 92.9 | Very high | 94.5 | Very high | 92 Ų | 92 | 47.2 Ų | 47.2 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -93.8 | 1.6 | -177.3 | -65.9 | -80.5 | 0 | 0 | 0 | 113.2 | Y54 L55 A56 I60 | Y54-N58 WeakPolarHBondContact CD2-ND2 3.43Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.49Å; Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.15Å; L55-N58 PolarHBondContact O-N 3.07Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.89Å; N58-I60 HydrophobicContact CB-CD1 3.76Å; N58-I60 HydrophobicContact CB-CG1 3.81Å; N58-I60 PolarHBondContact O-N 3.03Å |
| 59 | K | 92.2 | Very high | 94.5 | Very high | 179 Ų | 179 | 47.5 Ų | 47.5 | 78% | 0.778 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36.2 | -177.1 | -52.9 | 176.8 | -176.5 | 175.5 | 0 | 112.5 | L55 A56 | L55-K59 WeakPolarHBondContact O-CA 3.46Å; L55-K59 PolarHBondContact O-N 3.02Å; A56-K59 PolarHBondContact O-N 3.34Å |
| 60 | I | 93.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.195 | 25% | 0.252 | C | S | . | . | trans | -82 | 123.4 | 178.1 | -63.5 | 169.8 | 0 | 0 | 0 | 108.1 | Y54 L55 N58 N62 I63 | Y54-I60 HydrophobicContact CD1-CD1 4.21Å; Y54-I60 HydrophobicContact CE1-CD1 3.49Å; Y54-I60 VanDerWaalsContact CE1-CD1 3.49Å; L55-I60 HydrophobicContact CD2-CB 3.85Å; L55-I60 HydrophobicContact CD2-CG2 3.71Å; L55-I60 PolarHBondContact O-N 3.43Å; N58-I60 HydrophobicContact CB-CD1 3.76Å; N58-I60 HydrophobicContact CB-CG1 3.81Å; N58-I60 PolarHBondContact O-N 3.03Å; I60-N62 WeakPolarHBondContact CG2-O 3.3Å; I60-I63 HydrophobicContact CG2-CB 3.97Å; I60-I63 HydrophobicContact CG2-CG2 3.98Å | ||
| 61 | T | 94.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 58% | 0.577 | 25% | 0.252 | S | S | * | . | trans | -101.8 | -16.3 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | G96 V302 | T61-G96 VanDerWaalsContact O-CA 3.31Å; T61-G96 WeakPolarHBondContact O-CA 3.46Å; T61-V302 WeakPolarHBondContact O-CG1 3.17Å | ||
| 62 | N | 96.4 | Very high | 94.6 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | trans | -147.2 | 130.3 | 175.8 | 65.7 | -34.9 | 0 | 0 | 0 | 111.5 | I60 A95 | I60-N62 WeakPolarHBondContact CG2-O 3.3Å; N62-A95 VanDerWaalsContact CA-O 3.26Å; N62-A95 WeakPolarHBondContact CA-O 3.31Å | ||
| 63 | I | 97 | Very high | 94.5 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 145.1 | 173.6 | -174 | 172.5 | 0 | 0 | 0 | 109.3 | F51 Y54 L55 I60 R65 A95 | F51-I63 HydrophobicContact CE2-CG2 3.81Å; F51-I63 HydrophobicContact CZ-CG2 3.71Å; Y54-I63 HydrophobicContact CE1-CD1 4.48Å; L55-I63 HydrophobicContact CD2-CG2 3.41Å; L55-I63 VanDerWaalsContact CD2-CG2 3.41Å; I60-I63 HydrophobicContact CG2-CB 3.97Å; I60-I63 HydrophobicContact CG2-CG2 3.98Å; I63-R65 HydrophobicContact CD1-CB 4.28Å; I63-R65 HydrophobicContact CG1-CB 4.28Å; I63-A95 HydrophobicContact CG2-CB 3.95Å; I63-A95 PolarHBondContact N-O 3.03Å; I63-A95 PolarHBondContact O-N 3.16Å |
| 64 | K | 98 | Very high | 94.4 | Very high | 75 Ų | 75 | 59 Ų | 59 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.3 | 166.7 | 177.9 | 158.2 | 72.9 | 177.9 | 0 | 108 | F4 D93 I94 E106 | F4-K64 HydrophobicContact CD1-CG 3.87Å; F4-K64 HydrophobicContact CE1-CD 3.77Å; F4-K64 HydrophobicContact CE1-CG 3.43Å; F4-K64 VanDerWaalsContact CE1-CG 3.43Å; F4-K64 HydrophobicContact CZ-CD 4.14Å; F4-K64 HydrophobicContact CZ-CG 4.27Å; K64-D93 WeakPolarHBondContact CA-O 3.42Å; K64-I94 HydrophobicContact CD-CD1 3.96Å; K64-I94 HydrophobicContact CD-CG1 3.79Å; K64-I94 HydrophobicContact CG-CG1 4.04Å; K64-E106 VanDerWaalsContact NZ-CD 3.33Å; K64-E106 IonicContact NZ-OE1 3.4Å; K64-E106 PolarHBondContact NZ-OE1 3.37Å; K64-E106 IonicContact NZ-OE2 2.97Å; K64-E106 PolarHBondContact NZ-OE2 3.16Å; K64-E106 VanDerWaalsContact NZ-OE2 3.16Å |
| 65 | R | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.9 | -172 | 71 | 88.5 | 177.8 | 143.6 | -2.1 | 111.9 | F51 I63 D91 L92 D93 | F51-R65 HydrophobicContact CD2-CG 4.11Å; F51-R65 HydrophobicContact CE2-CG 3.6Å; F51-R65 HydrophobicContact CZ-CG 3.87Å; I63-R65 HydrophobicContact CD1-CB 4.28Å; I63-R65 HydrophobicContact CG1-CB 4.28Å; R65-D91 PolarHBondContact NH1-O 2.85Å; R65-L92 WeakPolarHBondContact O-CA 3.47Å; R65-D93 IonicContact CZ-OD2 3.83Å; R65-D93 PolarHBondContact N-O 3.49Å; R65-D93 IonicContact NE-OD2 3.66Å; R65-D93 IonicContact NH1-OD2 3.41Å; R65-D93 PolarHBondContact NH1-OD2 3.01Å; R65-D93 IonicContact NH2-OD2 2.9Å; R65-D93 PolarHBondContact NH2-OD2 2.86Å; R65-D93 PolarHBondContact O-N 2.92Å |
| 66 | Y | 97.5 | Very high | 93 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.5 | 165.4 | 77.9 | -63.5 | 0 | 0 | 0 | 110 | F4 M6 I68 D91 | F4-Y66 HydrophobicContact CB-CD1 3.26Å; F4-Y66 HydrophobicContact CB-CE1 3.6Å; F4-Y66 HydrophobicContact CB-CG 4.23Å; F4-Y66 HydrophobicContact CG-CD1 4.07Å; M6-Y66 HydrophobicContact CB-CE1 3.74Å; M6-Y66 HydrophobicContact CE-CD2 4.13Å; M6-Y66 HydrophobicContact CE-CE2 3.21Å; M6-Y66 WeakPolarHBondContact CE-OH 3.4Å; M6-Y66 HydrophobicContact SD-CD2 3.9Å; M6-Y66 HydrophobicContact SD-CE1 4.14Å; M6-Y66 HydrophobicContact SD-CE2 3.42Å; M6-Y66 WeakPolarHBondContact SD-CE2 3.37Å; M6-Y66 HydrophobicContact SD-CG 4.46Å; M6-Y66 VanDerWaalsContact SD-CZ 3.58Å; Y66-I68 HydrophobicContact CD2-CD1 4.17Å; Y66-I68 HydrophobicContact CD2-CG1 4.14Å; Y66-I68 HydrophobicContact CE2-CD1 4.17Å; Y66-I68 HydrophobicContact CE2-CG1 4.47Å; Y66-D91 CarbonylContact C-O 3.58Å; Y66-D91 WeakPolarHBondContact CA-O 3.33Å |
| 67 | Q | 95.8 | Very high | 92 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 123.1 | 176.6 | -172 | -179.5 | -16.3 | 0 | 0 | 110.3 | F9 L47 A69 D91 | F9-Q67 VanDerWaalsContact CD2-OE1 3.22Å; L47-Q67 HydrophobicContact CD1-CB 4.19Å; L47-Q67 HydrophobicContact CD1-CG 4Å; L47-Q67 WeakPolarHBondContact CD1-O 3.33Å; Q67-A69 HydrophobicContact CG-CB 4.37Å; Q67-D91 PolarHBondContact N-O 3.02Å; Q67-D91 PolarHBondContact O-N 3.29Å |
| 68 | I | 96.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 62 Ų | 62 | 36% | 0.359 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 106.2 | 177.4 | -59.4 | 177.9 | 0 | 0 | 0 | 107.9 | M6 Y66 M88 Q89 C90 I311 | M6-I68 HydrophobicContact CE-CB 4.49Å; M6-I68 HydrophobicContact CE-CD1 4.47Å; Y66-I68 HydrophobicContact CD2-CD1 4.17Å; Y66-I68 HydrophobicContact CD2-CG1 4.14Å; Y66-I68 HydrophobicContact CE2-CD1 4.17Å; Y66-I68 HydrophobicContact CE2-CG1 4.47Å; I68-M88 HydrophobicContact CB-CE 4.45Å; I68-M88 HydrophobicContact CG2-CE 3.3Å; I68-Q89 WeakPolarHBondContact CA-O 3.48Å; I68-C90 HydrophobicContact CG1-CB 4.06Å; I68-I311 HydrophobicContact CG2-CD1 4.45Å |
| 69 | A | 94.7 | Very high | 89.8 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 158.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L47 Q67 Q89 | L47-A69 HydrophobicContact CD1-CB 4.25Å; L47-A69 HydrophobicContact CD2-CB 4Å; Q67-A69 HydrophobicContact CG-CB 4.37Å; A69-Q89 PolarHBondContact N-O 3.48Å; A69-Q89 PolarHBondContact O-N 2.98Å |
| 70 | K | 94.5 | Very high | 88.4 | Confident | 84 Ų | 84 | 61 Ų | 61 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 143.7 | 174.2 | -64.7 | -173.7 | 167.8 | -166.1 | 0 | 112.3 | R44 Y72 E86 F87 M88 | R44-K70 PolarHBondContact NE-O 3.41Å; R44-K70 PolarHBondContact NH2-O 3.16Å; K70-Y72 HydrophobicContact CB-CE2 4.5Å; K70-E86 HydrophobicContact CB-CG 4.35Å; K70-E86 VanDerWaalsContact CD-CD 3.47Å; K70-E86 HydrophobicContact CD-CG 3.82Å; K70-E86 WeakPolarHBondContact CD-OE1 3.43Å; K70-E86 HydrophobicContact CG-CG 4.45Å; K70-E86 VanDerWaalsContact NZ-CD 3.34Å; K70-E86 IonicContact NZ-OE1 3.66Å; K70-E86 IonicContact NZ-OE2 2.65Å; K70-E86 PolarHBondContact NZ-OE2 2.79Å; K70-F87 CarbonylContact C-O 3.54Å; K70-F87 VanDerWaalsContact CA-O 3.28Å; K70-F87 WeakPolarHBondContact CA-O 3.46Å; K70-M88 HydrophobicContact CB-SD 4.2Å; K70-M88 HydrophobicContact CD-SD 4.45Å; K70-M88 HydrophobicContact CG-CG 4.27Å; K70-M88 HydrophobicContact CG-SD 3.27Å; K70-M88 WeakPolarHBondContact CG-SD 3.32Å; K70-M88 PolarHBondContact N-SD 3.21Å |
| 71 | V | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 163.8 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | R44 L47 E86 F87 Q89 | R44-V71 HydrophobicContact CG-CG1 4.42Å; L47-V71 HydrophobicContact CD2-CG1 3.48Å; L47-V71 VanDerWaalsContact CD2-CG1 3.48Å; L47-V71 HydrophobicContact CG-CG1 3.91Å; V71-E86 WeakPolarHBondContact O-CA 3.49Å; V71-F87 HydrophobicContact CG2-CD1 4.45Å; V71-F87 HydrophobicContact CG2-CD2 3.91Å; V71-F87 HydrophobicContact CG2-CE1 4.11Å; V71-F87 HydrophobicContact CG2-CE2 3.51Å; V71-F87 HydrophobicContact CG2-CG 4.36Å; V71-F87 HydrophobicContact CG2-CZ 3.63Å; V71-F87 PolarHBondContact N-O 3.01Å; V71-F87 PolarHBondContact O-N 3.1Å; V71-Q89 HydrophobicContact CG1-CB 4.36Å; V71-Q89 HydrophobicContact CG1-CG 4.33Å; V71-Q89 HydrophobicContact CG2-CG 3.83Å |
| 72 | Y | 94 | Very high | 85.5 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 119.1 | -167.5 | -57.7 | -88.4 | 0 | 0 | 0 | 111 | L43 R44 K70 R85 E86 | L43-Y72 HydrophobicContact CB-CD2 3.79Å; L43-Y72 HydrophobicContact CB-CG 3.92Å; L43-Y72 HydrophobicContact CD1-CD1 3.86Å; L43-Y72 HydrophobicContact CD1-CD2 4.09Å; L43-Y72 HydrophobicContact CD1-CE1 4.35Å; L43-Y72 HydrophobicContact CD1-CG 3.72Å; L43-Y72 HydrophobicContact CG-CD2 4.36Å; L43-Y72 HydrophobicContact CG-CG 4.38Å; R44-Y72 PolarHBondContact O-N 2.91Å; K70-Y72 HydrophobicContact CB-CE2 4.5Å; Y72-R85 CarbonylContact C-O 3.52Å; Y72-R85 VanDerWaalsContact CA-O 3.29Å; Y72-R85 WeakPolarHBondContact CA-O 3.37Å; Y72-E86 HydrophobicContact CD1-CB 4.04Å; Y72-E86 HydrophobicContact CD1-CG 4.07Å; Y72-E86 HydrophobicContact CE1-CB 3.93Å; Y72-E86 HydrophobicContact CE1-CG 3.53Å; Y72-E86 WeakPolarHBondContact CE1-OE1 3.1Å; Y72-E86 PolarHBondContact OH-OE1 2.92Å |
| 73 | R | 91.1 | Very high | 84.4 | Confident | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.177 | 29% | 0.291 | C | S | . | . | trans | -132.7 | 126.8 | 179.9 | -53.7 | -170.7 | 179.4 | 164 | 4.6 | 109.7 | Y45 D75 R85 F87 | Y45-R73 HydrophobicContact CD2-CB 4.24Å; Y45-R73 HydrophobicContact CD2-CG 3.63Å; Y45-R73 HydrophobicContact CE2-CB 3.92Å; Y45-R73 HydrophobicContact CE2-CG 3.49Å; Y45-R73 VanDerWaalsContact CE2-CG 3.49Å; Y45-R73 HydrophobicContact CG-CG 4.24Å; Y45-R73 VanDerWaalsContact CZ-CD 3.48Å; Y45-R73 PolarHBondContact O-NE 2.94Å; Y45-R73 PolarHBondContact O-NH2 3.44Å; R73-D75 PolarHBondContact O-N 3.19Å; R73-R85 PolarHBondContact N-O 3.01Å; R73-R85 VanDerWaalsContact O-CA 3.27Å; R73-R85 WeakPolarHBondContact O-CA 3.42Å; R73-R85 WeakPolarHBondContact O-CB 3.32Å; R73-R85 WeakPolarHBondContact O-CG 3.44Å; R73-F87 HydrophobicContact CB-CE1 4.32Å; R73-F87 HydrophobicContact CG-CE1 3.93Å; R73-F87 HydrophobicContact CG-CZ 4.12Å | ||
| 74 | R | 89.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | trans | -74.8 | 35.5 | 177.9 | -67.1 | -178 | 65.9 | 177.1 | -1.6 | 113.1 | L29 I30 Y31 | L29-R74 HydrophobicContact CD2-CB 4.49Å; L29-R74 WeakPolarHBondContact CD2-O 3.35Å; L29-R74 WeakPolarHBondContact O-CB 3.23Å; L29-R74 WeakPolarHBondContact O-CG 3.4Å; L29-R74 PolarHBondContact O-N 2.94Å; I30-R74 WeakPolarHBondContact O-CD 3.46Å; Y31-R74 HydrophobicContact CD1-CG 3.61Å; Y31-R74 HydrophobicContact CD2-CG 3.41Å; Y31-R74 VanDerWaalsContact CD2-CG 3.41Å; Y31-R74 HydrophobicContact CE1-CG 3.51Å; Y31-R74 HydrophobicContact CE2-CB 4.15Å; Y31-R74 HydrophobicContact CE2-CG 3.31Å; Y31-R74 HydrophobicContact CG-CG 3.56Å | ||
| 75 | D | 81.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -69.7 | 168.1 | -178.6 | -148.4 | -22.6 | 0 | 0 | 0 | 111.3 | R73 P77 R83 R85 | R73-D75 PolarHBondContact O-N 3.19Å; D75-P77 VanDerWaalsContact O-CD 3.28Å; D75-P77 WeakPolarHBondContact O-CD 3.42Å; D75-R83 VanDerWaalsContact CG-NE 3.32Å; D75-R83 IonicContact OD1-CZ 3.31Å; D75-R83 IonicContact OD1-NE 3.44Å; D75-R83 IonicContact OD1-NH2 2.63Å; D75-R83 PolarHBondContact OD1-NH2 3.11Å; D75-R83 VanDerWaalsContact OD1-NH2 3.14Å; D75-R83 IonicContact OD2-CZ 2.72Å; D75-R83 IonicContact OD2-NE 2.72Å; D75-R83 PolarHBondContact OD2-NE 3.06Å; D75-R83 IonicContact OD2-NH2 3.68Å; D75-R83 PolarHBondContact OD2-NH2 3.32Å; D75-R85 PolarHBondContact O-NE 3.38Å | ||
| 76 | N | 76.9 | Confident | 83.1 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 32% | 0.319 | S | S | * | . | trans | -78 | 110.4 | 169.7 | -72 | -32.5 | 0 | 0 | 0 | 108.4 | ||||
| 77 | P | 73.5 | Confident | 82.8 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | trans | -70.6 | 141.9 | -173.1 | 29.2 | -33.7 | 0 | 0 | 0 | 111.1 | D75 R83 | D75-P77 VanDerWaalsContact O-CD 3.28Å; D75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-R83 CarbonylContact C-O 3.45Å; P77-R83 VanDerWaalsContact CA-O 3.23Å; P77-R83 WeakPolarHBondContact CA-O 2.99Å | ||
| 78 | A | 72.5 | Confident | 82.6 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 24% | 0.24 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -127.6 | 90.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | T80 R81 G82 R83 | A78-T80 VanDerWaalsContact C-N 3.26Å; A78-T80 PolarHBondContact O-N 3.21Å; A78-R81 HydrophobicContact CB-CB 4.11Å; A78-R81 HydrophobicContact CB-CG 4.26Å; A78-R81 PolarHBondContact O-N 2.85Å; A78-G82 PolarHBondContact O-N 3.17Å; A78-R83 HydrophobicContact CB-CB 4.15Å; A78-R83 PolarHBondContact N-O 3.01Å; A78-R83 PolarHBondContact O-N 3.12Å; A78-R83 VanDerWaalsContact O-N 3.15Å |
| 79 | M | 65.2 | Low | 82.5 | Confident | 131 Ų | 131 | 65.1 Ų | 65.1 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -59.8 | -35.9 | -171.4 | -64.4 | -62.6 | -70.8 | 0 | 0 | 112.6 | R81 Y84 | M79-R81 PolarHBondContact O-N 2.72Å; M79-Y84 HydrophobicContact CE-CD1 4Å; M79-Y84 HydrophobicContact CE-CE1 3.57Å; M79-Y84 HydrophobicContact SD-CD1 3.56Å; M79-Y84 VanDerWaalsContact SD-CD1 3.56Å; M79-Y84 HydrophobicContact SD-CE1 3.53Å; M79-Y84 VanDerWaalsContact SD-CE1 3.53Å |
| 80 | T | 63.4 | Low | 82.6 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 73% | 0.73 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -67.9 | -18.4 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | A78 | A78-T80 VanDerWaalsContact C-N 3.26Å; A78-T80 PolarHBondContact O-N 3.21Å |
| 81 | R | 61.4 | Low | 82.7 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -110.9 | 8.3 | -175.7 | -55.7 | -172.4 | -171.4 | 174.2 | 5.5 | 113.7 | A78 M79 R83 E275 D276 | A78-R81 HydrophobicContact CB-CB 4.11Å; A78-R81 HydrophobicContact CB-CG 4.26Å; A78-R81 PolarHBondContact O-N 2.85Å; M79-R81 PolarHBondContact O-N 2.72Å; R81-R83 PolarHBondContact O-N 3.31Å; R81-E275 IonicContact NH2-OE2 3.16Å; R81-D276 IonicContact CZ-OD2 2.66Å; R81-D276 IonicContact NH1-OD2 2.63Å; R81-D276 PolarHBondContact NH1-OD2 3.44Å; R81-D276 IonicContact NH2-OD2 2.77Å; R81-D276 PolarHBondContact NH2-OD2 2.98Å |
| 82 | G | 66.1 | Low | 82.9 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 16.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A78 Y84 | A78-G82 PolarHBondContact O-N 3.17Å; G82-Y84 WeakPolarHBondContact O-CD2 3.23Å; G82-Y84 PolarHBondContact O-N 3.09Å |
| 83 | R | 71.8 | Confident | 83.1 | Confident | 132 Ų | 132 | 61.4 Ų | 61.4 | 50% | 0.498 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 93.8 | 179.3 | -164.8 | -179.9 | -170.9 | 170.5 | 0.1 | 109.2 | D75 P77 A78 R81 | D75-R83 VanDerWaalsContact CG-NE 3.32Å; D75-R83 IonicContact OD1-CZ 3.31Å; D75-R83 IonicContact OD1-NE 3.44Å; D75-R83 IonicContact OD1-NH2 2.63Å; D75-R83 PolarHBondContact OD1-NH2 3.11Å; D75-R83 VanDerWaalsContact OD1-NH2 3.14Å; D75-R83 IonicContact OD2-CZ 2.72Å; D75-R83 IonicContact OD2-NE 2.72Å; D75-R83 PolarHBondContact OD2-NE 3.06Å; D75-R83 IonicContact OD2-NH2 3.68Å; D75-R83 PolarHBondContact OD2-NH2 3.32Å; P77-R83 CarbonylContact C-O 3.45Å; P77-R83 VanDerWaalsContact CA-O 3.23Å; P77-R83 WeakPolarHBondContact CA-O 2.99Å; A78-R83 HydrophobicContact CB-CB 4.15Å; A78-R83 PolarHBondContact N-O 3.01Å; A78-R83 PolarHBondContact O-N 3.12Å; A78-R83 VanDerWaalsContact O-N 3.15Å; R81-R83 PolarHBondContact O-N 3.31Å |
| 84 | Y | 81.8 | Confident | 83.4 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | trans | -102.9 | 166.7 | -179.6 | -52 | -65.2 | 0 | 0 | 0 | 111.8 | M79 G82 E86 F87 E312 | M79-Y84 HydrophobicContact CE-CD1 4Å; M79-Y84 HydrophobicContact CE-CE1 3.57Å; M79-Y84 HydrophobicContact SD-CD1 3.56Å; M79-Y84 VanDerWaalsContact SD-CD1 3.56Å; M79-Y84 HydrophobicContact SD-CE1 3.53Å; M79-Y84 VanDerWaalsContact SD-CE1 3.53Å; G82-Y84 WeakPolarHBondContact O-CD2 3.23Å; G82-Y84 PolarHBondContact O-N 3.09Å; Y84-E86 WeakPolarHBondContact CB-O 3.44Å; Y84-F87 WeakPolarHBondContact O-CD1 3.38Å; Y84-E312 HydrophobicContact CD2-CG 4.14Å; Y84-E312 HydrophobicContact CE2-CB 4.34Å; Y84-E312 HydrophobicContact CE2-CG 4.33Å | ||
| 85 | R | 90.8 | Very high | 83.8 | Confident | 109 Ų | 109 | 53.5 Ų | 53.5 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -85.3 | -23.8 | 172.4 | -73.8 | 168.5 | 158.9 | -167 | 3.2 | 113.1 | Y31 Y72 R73 D75 | Y31-R85 HydrophobicContact CE2-CB 4.39Å; Y31-R85 VanDerWaalsContact OH-CD 3.25Å; Y31-R85 WeakPolarHBondContact OH-CD 3.46Å; Y72-R85 CarbonylContact C-O 3.52Å; Y72-R85 VanDerWaalsContact CA-O 3.29Å; Y72-R85 WeakPolarHBondContact CA-O 3.37Å; R73-R85 PolarHBondContact N-O 3.01Å; R73-R85 VanDerWaalsContact O-CA 3.27Å; R73-R85 WeakPolarHBondContact O-CA 3.42Å; R73-R85 WeakPolarHBondContact O-CB 3.32Å; R73-R85 WeakPolarHBondContact O-CG 3.44Å; D75-R85 PolarHBondContact O-NE 3.38Å |
| 86 | E | 92.5 | Very high | 84.6 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.2 | 167.5 | 177.3 | -173.8 | -119.1 | 0 | 0 | 107 | K70 V71 Y72 Y84 | K70-E86 HydrophobicContact CB-CG 4.35Å; K70-E86 VanDerWaalsContact CD-CD 3.47Å; K70-E86 HydrophobicContact CD-CG 3.82Å; K70-E86 WeakPolarHBondContact CD-OE1 3.43Å; K70-E86 HydrophobicContact CG-CG 4.45Å; K70-E86 VanDerWaalsContact NZ-CD 3.34Å; K70-E86 IonicContact NZ-OE1 3.66Å; K70-E86 IonicContact NZ-OE2 2.65Å; K70-E86 PolarHBondContact NZ-OE2 2.79Å; V71-E86 WeakPolarHBondContact O-CA 3.49Å; Y72-E86 HydrophobicContact CD1-CB 4.04Å; Y72-E86 HydrophobicContact CD1-CG 4.07Å; Y72-E86 HydrophobicContact CE1-CB 3.93Å; Y72-E86 HydrophobicContact CE1-CG 3.53Å; Y72-E86 WeakPolarHBondContact CE1-OE1 3.1Å; Y72-E86 PolarHBondContact OH-OE1 2.92Å; Y84-E86 WeakPolarHBondContact CB-O 3.44Å |
| 87 | F | 91 | Very high | 85.5 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 162.1 | 177.9 | 57.9 | -86.3 | 0 | 0 | 0 | 111.5 | K70 V71 R73 Y84 Q89 E312 | K70-F87 CarbonylContact C-O 3.54Å; K70-F87 VanDerWaalsContact CA-O 3.28Å; K70-F87 WeakPolarHBondContact CA-O 3.46Å; V71-F87 HydrophobicContact CG2-CD1 4.45Å; V71-F87 HydrophobicContact CG2-CD2 3.91Å; V71-F87 HydrophobicContact CG2-CE1 4.11Å; V71-F87 HydrophobicContact CG2-CE2 3.51Å; V71-F87 HydrophobicContact CG2-CG 4.36Å; V71-F87 HydrophobicContact CG2-CZ 3.63Å; V71-F87 PolarHBondContact N-O 3.01Å; V71-F87 PolarHBondContact O-N 3.1Å; R73-F87 HydrophobicContact CB-CE1 4.32Å; R73-F87 HydrophobicContact CG-CE1 3.93Å; R73-F87 HydrophobicContact CG-CZ 4.12Å; Y84-F87 WeakPolarHBondContact O-CD1 3.38Å; F87-Q89 HydrophobicContact CD2-CG 4.47Å; F87-Q89 HydrophobicContact CE2-CG 4.03Å; F87-E312 HydrophobicContact CB-CG 3.63Å |
| 88 | M | 93.1 | Very high | 86.6 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.7 | 177.4 | -71.4 | -64.7 | -59.5 | 0 | 0 | 112.1 | I68 K70 I311 E312 | I68-M88 HydrophobicContact CB-CE 4.45Å; I68-M88 HydrophobicContact CG2-CE 3.3Å; K70-M88 HydrophobicContact CB-SD 4.2Å; K70-M88 HydrophobicContact CD-SD 4.45Å; K70-M88 HydrophobicContact CG-CG 4.27Å; K70-M88 HydrophobicContact CG-SD 3.27Å; K70-M88 WeakPolarHBondContact CG-SD 3.32Å; K70-M88 PolarHBondContact N-SD 3.21Å; M88-I311 HydrophobicContact CB-CD1 4.12Å; M88-E312 PolarHBondContact N-OE1 3.31Å; M88-E312 VanDerWaalsContact N-OE1 3.09Å |
| 89 | Q | 92.8 | Very high | 87.9 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 147.7 | 160 | -80.3 | -167.9 | -75.4 | 0 | 0 | 110.1 | D46 L47 I68 A69 V71 F87 S308 | D46-Q89 VanDerWaalsContact CA-OE1 3.31Å; L47-Q89 HydrophobicContact CD1-CB 3.84Å; L47-Q89 HydrophobicContact CG-CB 4.18Å; I68-Q89 WeakPolarHBondContact CA-O 3.48Å; A69-Q89 PolarHBondContact N-O 3.48Å; A69-Q89 PolarHBondContact O-N 2.98Å; V71-Q89 HydrophobicContact CG1-CB 4.36Å; V71-Q89 HydrophobicContact CG1-CG 4.33Å; V71-Q89 HydrophobicContact CG2-CG 3.83Å; F87-Q89 HydrophobicContact CD2-CG 4.47Å; F87-Q89 HydrophobicContact CE2-CG 4.03Å; Q89-S308 PolarHBondContact NE2-OG 2.97Å |
| 90 | C | 96.5 | Very high | 89.4 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 96.7 | 171.9 | 171.6 | 0 | 0 | 0 | 0 | 107.6 | I68 S308 I309 I311 | I68-C90 HydrophobicContact CG1-CB 4.06Å; C90-S308 CarbonylContact O-C 3.55Å; C90-S308 WeakPolarHBondContact O-CA 3.28Å; C90-I309 HydrophobicContact CB-CB 4.16Å; C90-I309 PolarHBondContact O-N 3.4Å; C90-I311 HydrophobicContact CB-CD1 3.39Å; C90-I311 HydrophobicContact CB-CG1 3.94Å |
| 91 | D | 97.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143 | -174.1 | -73.3 | 20 | 0 | 0 | 0 | 110.2 | L47 R65 Y66 Q67 L307 S308 | L47-D91 HydrophobicContact CB-CB 4.39Å; L47-D91 WeakPolarHBondContact CB-OD2 3.42Å; L47-D91 HydrophobicContact CD1-CB 4.18Å; R65-D91 PolarHBondContact NH1-O 2.85Å; Y66-D91 CarbonylContact C-O 3.58Å; Y66-D91 WeakPolarHBondContact CA-O 3.33Å; Q67-D91 PolarHBondContact N-O 3.02Å; Q67-D91 PolarHBondContact O-N 3.29Å; D91-L307 CarbonylContact C-O 3.56Å; D91-L307 VanDerWaalsContact CA-O 3.26Å; D91-L307 WeakPolarHBondContact CA-O 3.5Å; D91-S308 WeakPolarHBondContact OD1-CB 3.36Å; D91-S308 PolarHBondContact OD1-OG 3.24Å |
| 92 | L | 97.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130 | 168.8 | 178.8 | 154.3 | 0 | 0 | 0 | 108.7 | F4 R65 I94 I110 G306 L307 | F4-L92 HydrophobicContact CD1-CD1 4.07Å; F4-L92 HydrophobicContact CD1-CG 4.39Å; F4-L92 HydrophobicContact CE1-CD1 3.27Å; F4-L92 HydrophobicContact CE1-CD2 4.21Å; F4-L92 HydrophobicContact CE1-CG 3.7Å; F4-L92 HydrophobicContact CE2-CD1 4.38Å; F4-L92 HydrophobicContact CZ-CD1 3.49Å; F4-L92 VanDerWaalsContact CZ-CD1 3.49Å; F4-L92 HydrophobicContact CZ-CG 4.35Å; R65-L92 WeakPolarHBondContact O-CA 3.47Å; L92-I94 HydrophobicContact CD2-CG1 4.3Å; L92-I110 HydrophobicContact CD1-CD1 3.82Å; L92-I110 HydrophobicContact CD1-CG2 4.17Å; L92-I110 HydrophobicContact CD2-CD1 3.86Å; L92-G306 CarbonylContact O-C 3.4Å; L92-G306 WeakPolarHBondContact O-CA 3.47Å; L92-L307 HydrophobicContact CB-CD1 4.31Å; L92-L307 HydrophobicContact CB-CD2 4.29Å; L92-L307 HydrophobicContact CB-CG 4.06Å; L92-L307 HydrophobicContact CD2-CD2 4.06Å; L92-L307 PolarHBondContact N-O 2.96Å; L92-L307 PolarHBondContact O-N 2.88Å |
| 93 | D | 98.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.9 | -174.4 | -56.3 | -91.8 | 0 | 0 | 0 | 110.8 | F51 K64 R65 Y288 V305 G306 | F51-D93 HydrophobicContact CD1-CB 4.01Å; F51-D93 HydrophobicContact CE1-CB 3.55Å; F51-D93 HydrophobicContact CZ-CB 4.29Å; K64-D93 WeakPolarHBondContact CA-O 3.42Å; R65-D93 IonicContact CZ-OD2 3.83Å; R65-D93 PolarHBondContact N-O 3.49Å; R65-D93 IonicContact NE-OD2 3.66Å; R65-D93 IonicContact NH1-OD2 3.41Å; R65-D93 PolarHBondContact NH1-OD2 3.01Å; R65-D93 IonicContact NH2-OD2 2.9Å; R65-D93 PolarHBondContact NH2-OD2 2.86Å; R65-D93 PolarHBondContact O-N 2.92Å; D93-Y288 WeakPolarHBondContact CB-OH 3.41Å; D93-Y288 PolarHBondContact OD1-OH 2.98Å; D93-V305 WeakPolarHBondContact CA-O 3.15Å; D93-G306 WeakPolarHBondContact OD1-CA 2.8Å |
| 94 | I | 98.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.2 | 175.8 | -49.2 | 177.9 | 0 | 0 | 0 | 107.1 | K64 L92 Y98 P103 E106 C304 V305 | K64-I94 HydrophobicContact CD-CD1 3.96Å; K64-I94 HydrophobicContact CD-CG1 3.79Å; K64-I94 HydrophobicContact CG-CG1 4.04Å; L92-I94 HydrophobicContact CD2-CG1 4.3Å; I94-Y98 HydrophobicContact CG2-CD2 4.45Å; I94-Y98 HydrophobicContact CG2-CE2 3.85Å; I94-P103 HydrophobicContact CB-CB 4.26Å; I94-P103 HydrophobicContact CD1-CB 3.95Å; I94-P103 HydrophobicContact CG2-CB 4.04Å; I94-E106 HydrophobicContact CD1-CB 4.35Å; I94-C304 WeakPolarHBondContact O-CA 3.41Å; I94-V305 HydrophobicContact CB-CG1 4.26Å; I94-V305 PolarHBondContact N-O 3.21Å; I94-V305 PolarHBondContact O-N 3.47Å |
| 95 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | F51 L55 N62 I63 Y98 V302 P303 | F51-A95 HydrophobicContact CE1-CB 4.32Å; F51-A95 HydrophobicContact CZ-CB 3.98Å; L55-A95 HydrophobicContact CD1-CB 3.81Å; L55-A95 HydrophobicContact CD2-CB 4.35Å; N62-A95 VanDerWaalsContact CA-O 3.26Å; N62-A95 WeakPolarHBondContact CA-O 3.31Å; I63-A95 HydrophobicContact CG2-CB 3.95Å; I63-A95 PolarHBondContact N-O 3.03Å; I63-A95 PolarHBondContact O-N 3.16Å; A95-Y98 PolarHBondContact O-OH 3.49Å; A95-V302 HydrophobicContact CB-CG1 3.92Å; A95-P303 WeakPolarHBondContact CA-O 3.39Å |
| 96 | G | 97 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 141.9 | 161.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T61 Y98 P303 | T61-G96 VanDerWaalsContact O-CA 3.31Å; T61-G96 WeakPolarHBondContact O-CA 3.46Å; G96-Y98 VanDerWaalsContact CA-CE2 3.47Å; G96-Y98 VanDerWaalsContact O-CD2 3.26Å; G96-Y98 WeakPolarHBondContact O-CD2 3.49Å; G96-P303 PolarHBondContact N-O 2.85Å |
| 97 | E | 96.5 | Very high | 97.1 | Very high | 124 Ų | 124 | 34.2 Ų | 34.2 | 58% | 0.579 | 17% | 0.172 | S | C | * | . | trans | -84.5 | 113.6 | 173.1 | -171.2 | 173.7 | -165.8 | 0 | 0 | 109.2 | R300 | E97-R300 VanDerWaalsContact CD-NH2 3.31Å; E97-R300 IonicContact OE1-CZ 3.52Å; E97-R300 IonicContact OE1-NH1 3.59Å; E97-R300 IonicContact OE1-NH2 2.71Å; E97-R300 PolarHBondContact OE1-NH2 3.45Å; E97-R300 IonicContact OE2-CZ 3.17Å; E97-R300 IonicContact OE2-NH1 2.69Å; E97-R300 PolarHBondContact OE2-NH1 3.27Å; E97-R300 IonicContact OE2-NH2 3.2Å; E97-R300 PolarHBondContact OE2-NH2 3.37Å | ||
| 98 | Y | 97.6 | Very high | 97.5 | Very high | 112 Ų | 112 | 32.7 Ų | 32.7 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | trans | -135 | 169.5 | -178.6 | -56.3 | -73.2 | 0 | 0 | 0 | 110.1 | I94 A95 G96 P103 | I94-Y98 HydrophobicContact CG2-CD2 4.45Å; I94-Y98 HydrophobicContact CG2-CE2 3.85Å; A95-Y98 PolarHBondContact O-OH 3.49Å; G96-Y98 VanDerWaalsContact CA-CE2 3.47Å; G96-Y98 VanDerWaalsContact O-CD2 3.26Å; G96-Y98 WeakPolarHBondContact O-CD2 3.49Å; Y98-P103 HydrophobicContact CD2-CG 3.77Å; Y98-P103 HydrophobicContact CG-CG 4.04Å | ||
| 99 | D | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 33.1 Ų | 33.1 | 68% | 0.679 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -62.8 | 145.4 | 174.4 | -70.4 | -14.2 | 0 | 0 | 0 | 111.7 | M101 I102 | D99-M101 PolarHBondContact O-N 2.97Å; D99-I102 HydrophobicContact CB-CD1 3.78Å; D99-I102 HydrophobicContact CB-CG1 4.43Å; D99-I102 PolarHBondContact O-N 3.31Å |
| 100 | C | 98 | Very high | 98 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 132.4 | -170 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | I102 L227 Y231 | C100-I102 PolarHBondContact O-N 2.6Å; C100-L227 HydrophobicContact CB-CD2 4.23Å; C100-Y231 WeakPolarHBondContact O-CE2 3.36Å |
| 101 | M | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -3.8 | 175.4 | -53.2 | -46 | -70.6 | 0 | 0 | 118 | D99 D104 A105 E224 L227 L228 Y231 C257 | D99-M101 PolarHBondContact O-N 2.97Å; M101-D104 WeakPolarHBondContact CA-OD2 3.23Å; M101-D104 HydrophobicContact CE-CB 3.67Å; M101-D104 PolarHBondContact O-N 3.41Å; M101-D104 HydrophobicContact SD-CB 4.39Å; M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 3.38Å; M101-E224 HydrophobicContact CG-CB 4.14Å; M101-E224 WeakPolarHBondContact CG-O 3.28Å; M101-E224 HydrophobicContact SD-CB 3.94Å; M101-E224 HydrophobicContact SD-CG 4.41Å; M101-L227 HydrophobicContact CB-CD2 4.34Å; M101-L227 HydrophobicContact CB-CG 4.43Å; M101-L227 HydrophobicContact CG-CB 4.4Å; M101-L227 HydrophobicContact CG-CD2 4.36Å; M101-L228 HydrophobicContact CB-CB 4.36Å; M101-L228 HydrophobicContact CE-CB 3.69Å; M101-L228 HydrophobicContact CE-CD1 3.79Å; M101-L228 HydrophobicContact CE-CD2 3.82Å; M101-L228 HydrophobicContact CE-CG 3.96Å; M101-L228 HydrophobicContact CG-CB 4.38Å; M101-Y231 HydrophobicContact CB-CD2 4.09Å; M101-Y231 HydrophobicContact CB-CE2 3.99Å; M101-C257 HydrophobicContact CE-CB 3.82Å |
| 102 | I | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 40% | 0.4 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 179 | -57 | -179.6 | 0 | 0 | 0 | 111.2 | D99 C100 D104 A105 E106 Y231 | D99-I102 HydrophobicContact CB-CD1 3.78Å; D99-I102 HydrophobicContact CB-CG1 4.43Å; D99-I102 PolarHBondContact O-N 3.31Å; C100-I102 PolarHBondContact O-N 2.6Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.95Å; I102-A105 PolarHBondContact O-N 2.72Å; I102-E106 PolarHBondContact O-N 2.96Å; I102-E106 VanDerWaalsContact O-N 3.11Å; I102-Y231 HydrophobicContact CG1-CD2 4.47Å; I102-Y231 HydrophobicContact CG1-CE2 3.75Å |
| 103 | P | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | 178.6 | -19.1 | 34.7 | 0 | 0 | 0 | 112.2 | I94 Y98 A105 E106 C107 V305 | I94-P103 HydrophobicContact CB-CB 4.26Å; I94-P103 HydrophobicContact CD1-CB 3.95Å; I94-P103 HydrophobicContact CG2-CB 4.04Å; Y98-P103 HydrophobicContact CD2-CG 3.77Å; Y98-P103 HydrophobicContact CG-CG 4.04Å; P103-A105 VanDerWaalsContact C-N 3.35Å; P103-A105 PolarHBondContact O-N 2.65Å; P103-E106 PolarHBondContact O-N 3.3Å; P103-C107 PolarHBondContact O-N 3.49Å; P103-C107 PolarHBondContact O-SG 2.96Å; P103-C107 VanDerWaalsContact O-SG 3.42Å; P103-V305 HydrophobicContact CB-CG1 3.65Å |
| 104 | D | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.7 | -51.3 | -113.8 | 0 | 0 | 0 | 110.9 | M101 I102 C107 L108 L228 R287 V305 | M101-D104 WeakPolarHBondContact CA-OD2 3.23Å; M101-D104 HydrophobicContact CE-CB 3.67Å; M101-D104 PolarHBondContact O-N 3.41Å; M101-D104 HydrophobicContact SD-CB 4.39Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.95Å; D104-C107 WeakPolarHBondContact O-CB 3.33Å; D104-C107 PolarHBondContact O-N 3.28Å; D104-L108 PolarHBondContact O-N 3.06Å; D104-L228 HydrophobicContact CB-CD1 4.03Å; D104-R287 IonicContact OD1-CZ 2.73Å; D104-R287 IonicContact OD1-NE 3.05Å; D104-R287 PolarHBondContact OD1-NE 3.46Å; D104-R287 IonicContact OD1-NH2 2.79Å; D104-R287 IonicContact OD2-CZ 3.1Å; D104-R287 IonicContact OD2-NE 3.25Å; D104-R287 PolarHBondContact OD2-NE 3.29Å; D104-R287 IonicContact OD2-NH2 2.64Å; D104-R287 PolarHBondContact OD2-NH2 3.46Å; D104-V305 HydrophobicContact CB-CG2 4.32Å |
| 105 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M101 I102 P103 C107 L108 K109 L228 Y231 F235 | M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 3.38Å; I102-A105 PolarHBondContact O-N 2.72Å; P103-A105 VanDerWaalsContact C-N 3.35Å; P103-A105 PolarHBondContact O-N 2.65Å; A105-C107 VanDerWaalsContact C-N 3.32Å; A105-C107 PolarHBondContact O-N 3.49Å; A105-L108 PolarHBondContact O-N 2.93Å; A105-K109 PolarHBondContact O-N 3.38Å; A105-L228 HydrophobicContact CB-CD1 3.86Å; A105-Y231 HydrophobicContact CB-CD2 4.17Å; A105-Y231 HydrophobicContact CB-CG 4.39Å; A105-F235 HydrophobicContact CB-CD2 4.2Å; A105-F235 HydrophobicContact CB-CE2 3.88Å |
| 106 | E | 98.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 39.9 Ų | 39.9 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 174.2 | -168.1 | -176.7 | 172.9 | 0 | 0 | 111 | K64 I94 I102 P103 L108 K109 I110 | K64-E106 VanDerWaalsContact NZ-CD 3.33Å; K64-E106 IonicContact NZ-OE1 3.4Å; K64-E106 PolarHBondContact NZ-OE1 3.37Å; K64-E106 IonicContact NZ-OE2 2.97Å; K64-E106 PolarHBondContact NZ-OE2 3.16Å; K64-E106 VanDerWaalsContact NZ-OE2 3.16Å; I94-E106 HydrophobicContact CD1-CB 4.35Å; I102-E106 PolarHBondContact O-N 2.96Å; I102-E106 VanDerWaalsContact O-N 3.11Å; P103-E106 PolarHBondContact O-N 3.3Å; E106-L108 PolarHBondContact O-N 3.46Å; E106-K109 PolarHBondContact O-N 3.18Å; E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CD1 3.42Å; E106-I110 VanDerWaalsContact O-CG1 3.32Å; E106-I110 WeakPolarHBondContact O-CG1 3.44Å; E106-I110 PolarHBondContact O-N 2.77Å |
| 107 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.7 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | P103 D104 A105 K109 I110 V111 Y259 L307 | P103-C107 PolarHBondContact O-N 3.49Å; P103-C107 PolarHBondContact O-SG 2.96Å; P103-C107 VanDerWaalsContact O-SG 3.42Å; D104-C107 WeakPolarHBondContact O-CB 3.33Å; D104-C107 PolarHBondContact O-N 3.28Å; A105-C107 VanDerWaalsContact C-N 3.32Å; A105-C107 PolarHBondContact O-N 3.49Å; C107-K109 VanDerWaalsContact C-N 3.33Å; C107-K109 PolarHBondContact O-N 3.42Å; C107-I110 PolarHBondContact O-N 3.4Å; C107-V111 PolarHBondContact O-N 3.5Å; C107-Y259 WeakPolarHBondContact CB-OH 3.48Å; C107-L307 HydrophobicContact CB-CD2 3.88Å; C107-L307 WeakPolarHBondContact O-CD2 3.29Å |
| 108 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.3 | -61.9 | -179.7 | 0 | 0 | 0 | 112.1 | D104 A105 E106 V111 A112 I125 V127 L228 I237 V241 Y259 | D104-L108 PolarHBondContact O-N 3.06Å; A105-L108 PolarHBondContact O-N 2.93Å; E106-L108 PolarHBondContact O-N 3.46Å; L108-V111 PolarHBondContact O-N 2.96Å; L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 3.34Å; L108-I125 HydrophobicContact CD2-CG2 3.74Å; L108-V127 HydrophobicContact CD1-CG1 3.88Å; L108-V127 HydrophobicContact CD2-CG1 4.11Å; L108-L228 HydrophobicContact CD1-CD1 3.85Å; L108-L228 HydrophobicContact CD1-CD2 4Å; L108-L228 HydrophobicContact CD1-CG 4.08Å; L108-I237 HydrophobicContact CB-CD1 3.94Å; L108-V241 HydrophobicContact CD1-CG2 4.49Å; L108-Y259 HydrophobicContact CD2-CD1 3.74Å; L108-Y259 HydrophobicContact CD2-CD2 3.89Å; L108-Y259 HydrophobicContact CD2-CE1 4.26Å; L108-Y259 HydrophobicContact CD2-CE2 4.39Å; L108-Y259 HydrophobicContact CD2-CG 3.51Å |
| 109 | K | 98.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 175 | 177.1 | 52.5 | 176 | 176.9 | 0 | 111.9 | A105 E106 C107 V111 A112 E113 F235 I237 | A105-K109 PolarHBondContact O-N 3.38Å; E106-K109 PolarHBondContact O-N 3.18Å; C107-K109 VanDerWaalsContact C-N 3.33Å; C107-K109 PolarHBondContact O-N 3.42Å; K109-V111 PolarHBondContact O-N 3.3Å; K109-A112 PolarHBondContact O-N 3.41Å; K109-E113 HydrophobicContact CD-CG 4.1Å; K109-E113 WeakPolarHBondContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact CG-OE1 3.42Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.14Å; K109-F235 HydrophobicContact CB-CB 4.42Å; K109-F235 HydrophobicContact CB-CD2 3.98Å; K109-F235 HydrophobicContact CB-CG 4.28Å; K109-F235 HydrophobicContact CD-CB 4.13Å; K109-F235 HydrophobicContact CG-CB 4.31Å; K109-F235 HydrophobicContact CG-CD2 4.43Å; K109-F235 HydrophobicContact CG-CG 4.27Å; K109-F235 PolarHBondContact NZ-O 2.96Å; K109-I237 HydrophobicContact CB-CD1 4.32Å; K109-I237 HydrophobicContact CD-CG2 3.71Å |
| 110 | I | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.2 | -68.4 | 159.3 | 0 | 0 | 0 | 111.4 | L2 F4 L92 E106 C107 A112 E113 I114 L307 | L2-I110 HydrophobicContact CD2-CG1 4.36Å; F4-I110 HydrophobicContact CZ-CD1 4.48Å; L92-I110 HydrophobicContact CD1-CD1 3.82Å; L92-I110 HydrophobicContact CD1-CG2 4.17Å; L92-I110 HydrophobicContact CD2-CD1 3.86Å; E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CD1 3.42Å; E106-I110 VanDerWaalsContact O-CG1 3.32Å; E106-I110 WeakPolarHBondContact O-CG1 3.44Å; E106-I110 PolarHBondContact O-N 2.77Å; C107-I110 PolarHBondContact O-N 3.4Å; I110-A112 PolarHBondContact O-N 3.03Å; I110-E113 PolarHBondContact O-N 3.48Å; I110-I114 HydrophobicContact CG2-CD1 3.66Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CB 3.32Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.5Å; I110-I114 PolarHBondContact O-N 3.11Å; I110-L307 HydrophobicContact CB-CD2 4.15Å; I110-L307 HydrophobicContact CG2-CD2 4.11Å |
| 111 | V | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | C107 L108 K109 E113 I114 L115 I125 A261 A283 L307 I309 | C107-V111 PolarHBondContact O-N 3.5Å; L108-V111 PolarHBondContact O-N 2.96Å; K109-V111 PolarHBondContact O-N 3.3Å; V111-E113 PolarHBondContact O-N 3.35Å; V111-I114 PolarHBondContact O-N 3.21Å; V111-L115 HydrophobicContact CG1-CD1 3.67Å; V111-L115 HydrophobicContact CG1-CG 4.21Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.19Å; V111-I125 HydrophobicContact CB-CD1 4.08Å; V111-I125 HydrophobicContact CG1-CD1 3.77Å; V111-I125 HydrophobicContact CG1-CG1 4.14Å; V111-A261 HydrophobicContact CG1-CB 3.85Å; V111-A283 HydrophobicContact CG1-CB 4.01Å; V111-A283 HydrophobicContact CG2-CB 4.37Å; V111-L307 HydrophobicContact CG2-CB 4.15Å; V111-L307 HydrophobicContact CG2-CD1 4.06Å; V111-L307 HydrophobicContact CG2-CD2 4.02Å; V111-L307 HydrophobicContact CG2-CG 4.29Å; V111-I309 HydrophobicContact CG2-CD1 4.36Å |
| 112 | A | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L108 K109 I110 T116 F123 I125 I237 | L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 3.34Å; K109-A112 PolarHBondContact O-N 3.41Å; I110-A112 PolarHBondContact O-N 3.03Å; A112-T116 VanDerWaalsContact O-CB 3.26Å; A112-T116 WeakPolarHBondContact O-CB 3.36Å; A112-T116 PolarHBondContact O-N 3.31Å; A112-T116 VanDerWaalsContact O-N 3.08Å; A112-T116 PolarHBondContact O-OG1 3.28Å; A112-F123 HydrophobicContact CB-CE2 4.41Å; A112-F123 HydrophobicContact CB-CZ 4.35Å; A112-I125 HydrophobicContact CB-CD1 3.99Å; A112-I237 HydrophobicContact CB-CB 4.29Å; A112-I237 HydrophobicContact CB-CG2 3.73Å |
| 113 | E | 97.9 | Very high | 95.8 | Very high | 78 Ų | 78 | 36.7 Ų | 36.7 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -51 | 175.4 | -76.8 | -178.4 | -110.6 | 0 | 0 | 111.5 | K109 I110 V111 L115 T116 D117 | K109-E113 HydrophobicContact CD-CG 4.1Å; K109-E113 WeakPolarHBondContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact CG-OE1 3.42Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.14Å; I110-E113 PolarHBondContact O-N 3.48Å; V111-E113 PolarHBondContact O-N 3.35Å; E113-L115 PolarHBondContact O-N 3.35Å; E113-T116 PolarHBondContact O-N 3.3Å; E113-D117 WeakPolarHBondContact O-CB 3.5Å; E113-D117 PolarHBondContact O-N 3.5Å |
| 114 | I | 97.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59 | -49.7 | -178.6 | -70 | 169.1 | 0 | 0 | 0 | 111.1 | I110 V111 T116 D117 L118 I309 | I110-I114 HydrophobicContact CG2-CD1 3.66Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CB 3.32Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.5Å; I110-I114 PolarHBondContact O-N 3.11Å; V111-I114 PolarHBondContact O-N 3.21Å; I114-T116 VanDerWaalsContact C-N 3.33Å; I114-T116 PolarHBondContact O-N 2.95Å; I114-D117 PolarHBondContact O-N 2.78Å; I114-L118 HydrophobicContact CG2-CD1 3.76Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CB 3.48Å; I114-L118 WeakPolarHBondContact O-CD1 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.49Å; I114-L118 PolarHBondContact O-N 3.37Å; I114-I309 HydrophobicContact CD1-CD1 4.21Å; I114-I309 HydrophobicContact CD1-CG1 4.13Å; I114-I309 HydrophobicContact CG2-CD1 4.43Å |
| 115 | L | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -33.5 | -176.1 | -61.3 | 179.1 | 0 | 0 | 0 | 112.1 | V111 E113 I120 F123 A261 V282 I314 | V111-L115 HydrophobicContact CG1-CD1 3.67Å; V111-L115 HydrophobicContact CG1-CG 4.21Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.19Å; E113-L115 PolarHBondContact O-N 3.35Å; L115-I120 HydrophobicContact CD2-CD1 3.94Å; L115-F123 HydrophobicContact CB-CD1 3.81Å; L115-F123 HydrophobicContact CB-CD2 4.3Å; L115-F123 HydrophobicContact CB-CE1 3.65Å; L115-F123 HydrophobicContact CB-CE2 4.17Å; L115-F123 HydrophobicContact CB-CG 4.14Å; L115-F123 HydrophobicContact CB-CZ 3.85Å; L115-F123 HydrophobicContact CD1-CD2 3.76Å; L115-F123 HydrophobicContact CD1-CE2 4.09Å; L115-F123 HydrophobicContact CD1-CG 4.03Å; L115-A261 HydrophobicContact CD1-CB 3.58Å; L115-V282 HydrophobicContact CD1-CG2 3.9Å; L115-V282 HydrophobicContact CD2-CB 4.38Å; L115-V282 HydrophobicContact CD2-CG2 3.88Å; L115-I314 HydrophobicContact CD2-CD1 4.26Å |
| 116 | T | 95.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 42 Ų | 42 | 44% | 0.442 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -48.5 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | A112 E113 I114 L118 Q119 | A112-T116 VanDerWaalsContact O-CB 3.26Å; A112-T116 WeakPolarHBondContact O-CB 3.36Å; A112-T116 PolarHBondContact O-N 3.31Å; A112-T116 VanDerWaalsContact O-N 3.08Å; A112-T116 PolarHBondContact O-OG1 3.28Å; E113-T116 PolarHBondContact O-N 3.3Å; I114-T116 VanDerWaalsContact C-N 3.33Å; I114-T116 PolarHBondContact O-N 2.95Å; T116-L118 VanDerWaalsContact C-N 3.29Å; T116-L118 PolarHBondContact O-N 3.42Å; T116-Q119 PolarHBondContact O-N 2.88Å; T116-Q119 VanDerWaalsContact O-N 3.09Å |
| 117 | D | 96.2 | Very high | 95.4 | Very high | 128 Ų | 128 | 39.3 Ų | 39.3 | 68% | 0.684 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.3 | -30.3 | -177.6 | -78.7 | -2.9 | 0 | 0 | 0 | 112.7 | E113 I114 Q119 | E113-D117 WeakPolarHBondContact O-CB 3.5Å; E113-D117 PolarHBondContact O-N 3.5Å; I114-D117 PolarHBondContact O-N 2.78Å; D117-Q119 PolarHBondContact O-N 2.77Å |
| 118 | L | 93.5 | Very high | 95.3 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 29% | 0.293 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.4 | 175.7 | -72.9 | 169.4 | 0 | 0 | 0 | 113.5 | I114 T116 I120 I314 M318 | I114-L118 HydrophobicContact CG2-CD1 3.76Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CB 3.48Å; I114-L118 WeakPolarHBondContact O-CD1 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.49Å; I114-L118 PolarHBondContact O-N 3.37Å; T116-L118 VanDerWaalsContact C-N 3.29Å; T116-L118 PolarHBondContact O-N 3.42Å; L118-I120 VanDerWaalsContact C-N 3.26Å; L118-I120 HydrophobicContact CB-CD1 4.5Å; L118-I120 HydrophobicContact CB-CG1 4.26Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; L118-I120 PolarHBondContact O-N 2.91Å; L118-I314 HydrophobicContact CD1-CD1 3.87Å; L118-I314 HydrophobicContact CD1-CG2 3.83Å; L118-I314 HydrophobicContact CD2-CG2 4.42Å; L118-M318 HydrophobicContact CD2-SD 4.23Å |
| 119 | Q | 90.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 39.4 Ų | 39.4 | 64% | 0.64 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.1 | 178.8 | -57.2 | -179.6 | -14 | 0 | 0 | 113.7 | T116 D117 G121 K321 | T116-Q119 PolarHBondContact O-N 2.88Å; T116-Q119 VanDerWaalsContact O-N 3.09Å; D117-Q119 PolarHBondContact O-N 2.77Å; Q119-G121 VanDerWaalsContact C-N 3.28Å; Q119-G121 PolarHBondContact O-N 3.12Å; Q119-K321 PolarHBondContact O-NZ 3.42Å |
| 120 | I | 87.1 | Confident | 95 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -93.4 | 34.5 | -176.7 | 55.8 | 172.1 | 0 | 0 | 0 | 112.8 | L115 L118 L263 I268 I314 V317 M318 | L115-I120 HydrophobicContact CD2-CD1 3.94Å; L118-I120 VanDerWaalsContact C-N 3.26Å; L118-I120 HydrophobicContact CB-CD1 4.5Å; L118-I120 HydrophobicContact CB-CG1 4.26Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; L118-I120 PolarHBondContact O-N 2.91Å; I120-L263 HydrophobicContact CD1-CD2 3.88Å; I120-L263 HydrophobicContact CG1-CD2 4.11Å; I120-I268 VanDerWaalsContact C-CD1 3.49Å; I120-I268 WeakPolarHBondContact O-CD1 3.47Å; I120-I314 HydrophobicContact CD1-CG1 4.02Å; I120-I314 HydrophobicContact CG2-CG2 4.47Å; I120-V317 HydrophobicContact CB-CG1 3.95Å; I120-V317 HydrophobicContact CG2-CG1 4.13Å; I120-M318 HydrophobicContact CG2-CG 3.67Å | ||
| 121 | G | 87.5 | Confident | 94.8 | Very high | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | trans | 83.5 | -171.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q119 | Q119-G121 VanDerWaalsContact C-N 3.28Å; Q119-G121 PolarHBondContact O-N 3.12Å | ||
| 122 | D | 91.9 | Very high | 94.7 | Very high | 81 Ų | 81 | 43 Ų | 43 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | trans | -77.8 | 154.6 | 179.1 | -154.1 | 20.9 | 0 | 0 | 0 | 111.9 | R240 L263 T264 | D122-R240 IonicContact OD1-CZ 2.72Å; D122-R240 IonicContact OD1-NH1 2.57Å; D122-R240 PolarHBondContact OD1-NH1 3.05Å; D122-R240 IonicContact OD1-NH2 3.6Å; D122-L263 CarbonylContact O-C 3.54Å; D122-L263 WeakPolarHBondContact O-CA 3.38Å; D122-T264 WeakPolarHBondContact CB-OG1 3.4Å; D122-T264 PolarHBondContact O-N 3.22Å; D122-T264 PolarHBondContact O-OG1 3.36Å | ||
| 123 | F | 94.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 157.5 | -177 | 69.2 | -89.4 | 0 | 0 | 0 | 112.6 | A112 L115 I125 R240 V262 L263 T264 | A112-F123 HydrophobicContact CB-CE2 4.41Å; A112-F123 HydrophobicContact CB-CZ 4.35Å; L115-F123 HydrophobicContact CB-CD1 3.81Å; L115-F123 HydrophobicContact CB-CD2 4.3Å; L115-F123 HydrophobicContact CB-CE1 3.65Å; L115-F123 HydrophobicContact CB-CE2 4.17Å; L115-F123 HydrophobicContact CB-CG 4.14Å; L115-F123 HydrophobicContact CB-CZ 3.85Å; L115-F123 HydrophobicContact CD1-CD2 3.76Å; L115-F123 HydrophobicContact CD1-CE2 4.09Å; L115-F123 HydrophobicContact CD1-CG 4.03Å; F123-I125 HydrophobicContact CD2-CG1 4.14Å; F123-I125 HydrophobicContact CE2-CD1 4.13Å; F123-I125 HydrophobicContact CE2-CG1 4.04Å; F123-R240 HydrophobicContact CE2-CB 4.2Å; F123-R240 HydrophobicContact CE2-CG 4.21Å; F123-R240 HydrophobicContact CZ-CG 4.28Å; F123-R240 PolarHBondContact O-NH1 2.93Å; F123-V262 VanDerWaalsContact CA-O 3.26Å; F123-V262 WeakPolarHBondContact CA-O 3.19Å; F123-V262 WeakPolarHBondContact CB-O 3.39Å; F123-L263 HydrophobicContact CB-CD2 4.02Å; F123-T264 PolarHBondContact N-OG1 2.95Å |
| 124 | E | 95.5 | Very high | 94.3 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.3 | 171.6 | -72.8 | 177.3 | 171.9 | 0 | 0 | 110.3 | R240 V242 A261 V262 T264 | E124-R240 CarbonylContact C-O 3.59Å; E124-V242 HydrophobicContact CB-CG2 4.15Å; E124-V242 HydrophobicContact CG-CG2 4.03Å; E124-A261 CarbonylContact O-C 3.48Å; E124-A261 VanDerWaalsContact O-CA 3.29Å; E124-A261 WeakPolarHBondContact O-CA 3.43Å; E124-V262 HydrophobicContact CB-CG2 4.3Å; E124-V262 PolarHBondContact N-O 3.19Å; E124-V262 PolarHBondContact O-N 3.4Å; E124-T264 HydrophobicContact CB-CG2 4.1Å; E124-T264 HydrophobicContact CG-CG2 3.67Å |
| 125 | I | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 99.7 | 172.8 | -49.5 | 171.5 | 0 | 0 | 0 | 108 | L108 V111 A112 F123 R240 V241 V242 E260 A261 | L108-I125 HydrophobicContact CD2-CG2 3.74Å; V111-I125 HydrophobicContact CB-CD1 4.08Å; V111-I125 HydrophobicContact CG1-CD1 3.77Å; V111-I125 HydrophobicContact CG1-CG1 4.14Å; A112-I125 HydrophobicContact CB-CD1 3.99Å; F123-I125 HydrophobicContact CD2-CG1 4.14Å; F123-I125 HydrophobicContact CE2-CD1 4.13Å; F123-I125 HydrophobicContact CE2-CG1 4.04Å; I125-R240 PolarHBondContact N-O 3.16Å; I125-V241 WeakPolarHBondContact O-CA 3.43Å; I125-V242 PolarHBondContact O-N 3.45Å; I125-E260 CarbonylContact C-O 3.54Å; I125-E260 WeakPolarHBondContact CA-O 3.31Å; I125-A261 HydrophobicContact CG1-CB 4.16Å |
| 126 | K | 96.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.7 | 174.3 | -62.7 | -178.4 | 175.9 | -177.5 | 0 | 109.3 | V242 E244 L247 Y259 E260 V262 | K126-V242 CarbonylContact C-O 3.57Å; K126-V242 VanDerWaalsContact CA-O 3.23Å; K126-V242 WeakPolarHBondContact CA-O 3.35Å; K126-V242 HydrophobicContact CG-CB 4.47Å; K126-V242 HydrophobicContact CG-CG1 4.23Å; K126-E244 HydrophobicContact CB-CB 4.19Å; K126-E244 HydrophobicContact CD-CB 4.44Å; K126-E244 HydrophobicContact CD-CG 4.36Å; K126-E244 HydrophobicContact CG-CB 4.41Å; K126-L247 HydrophobicContact CB-CD2 4.06Å; K126-L247 WeakPolarHBondContact O-CD2 3.43Å; K126-Y259 CarbonylContact O-C 3.38Å; K126-Y259 WeakPolarHBondContact O-CA 3.28Å; K126-Y259 WeakPolarHBondContact O-CB 3.5Å; K126-E260 PolarHBondContact N-O 3.2Å; K126-E260 PolarHBondContact O-N 3.19Å; K126-V262 HydrophobicContact CD-CG2 4.36Å; K126-V262 HydrophobicContact CG-CG2 4.49Å |
| 127 | V | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.8 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | L108 L225 V241 V242 F243 E244 I258 | L108-V127 HydrophobicContact CD1-CG1 3.88Å; L108-V127 HydrophobicContact CD2-CG1 4.11Å; V127-L225 HydrophobicContact CG2-CD2 4.42Å; V127-V241 HydrophobicContact CG1-CG1 3.75Å; V127-V241 HydrophobicContact CG2-CG1 3.87Å; V127-V242 PolarHBondContact N-O 2.97Å; V127-F243 HydrophobicContact CG2-CB 4.32Å; V127-F243 WeakPolarHBondContact O-CD2 3.43Å; V127-E244 PolarHBondContact O-N 2.91Å; V127-I258 CarbonylContact C-O 3.45Å; V127-I258 WeakPolarHBondContact CA-O 3.42Å |
| 128 | N | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | -176.1 | 170.8 | -163.6 | 6.6 | 0 | 0 | 0 | 109.6 | E244 P245 L247 C257 I258 | N128-E244 WeakPolarHBondContact CB-O 3.4Å; N128-E244 PolarHBondContact ND2-O 3.29Å; N128-P245 PolarHBondContact ND2-O 3Å; N128-L247 HydrophobicContact CB-CB 3.93Å; N128-L247 HydrophobicContact CB-CD2 4.21Å; N128-L247 HydrophobicContact CB-CG 4.37Å; N128-L247 PolarHBondContact ND2-O 2.86Å; N128-C257 CarbonylContact O-C 3.59Å; N128-C257 WeakPolarHBondContact O-CA 2.86Å; N128-I258 HydrophobicContact CB-CD1 4.17Å; N128-I258 HydrophobicContact CB-CG1 3.92Å; N128-I258 PolarHBondContact N-O 3.08Å; N128-I258 PolarHBondContact O-N 3.44Å |
| 129 | H | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.2 | -178.9 | -162.5 | -86.4 | 0 | 0 | 0 | 111.8 | R131 L132 L133 A221 E224 L225 G256 C257 | H129-R131 VanDerWaalsContact C-N 3.3Å; H129-R131 WeakPolarHBondContact ND1-CB 3.01Å; H129-R131 PolarHBondContact ND1-N 2.79Å; H129-R131 VanDerWaalsContact ND1-N 3.19Å; H129-R131 PolarHBondContact O-N 3.25Å; H129-L132 HydrophobicContact CB-CB 4.03Å; H129-L132 WeakPolarHBondContact O-CB 3.5Å; H129-L132 PolarHBondContact O-N 3.43Å; H129-L133 PolarHBondContact O-N 3.49Å; H129-L133 VanDerWaalsContact O-N 3.1Å; H129-A221 HydrophobicContact CB-CB 3.95Å; H129-A221 VanDerWaalsContact ND1-CB 3.28Å; H129-A221 WeakPolarHBondContact ND1-CB 3.23Å; H129-E224 IonicContact CD2-OE2 3.84Å; H129-E224 IonicContact CE1-OE2 3.5Å; H129-E224 PolarHBondContact CE1-OE2 3.29Å; H129-E224 IonicContact NE2-OE2 3.58Å; H129-E224 PolarHBondContact NE2-OE2 3.28Å; H129-L225 HydrophobicContact CB-CD1 3.93Å; H129-L225 HydrophobicContact CB-CD2 4.39Å; H129-L225 HydrophobicContact CB-CG 4.11Å; H129-G256 WeakPolarHBondContact NE2-CA 3.29Å; H129-C257 PolarHBondContact CD2-N 3.46Å; H129-C257 PolarHBondContact NE2-N 3.09Å |
| 130 | R | 94.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 25.3 Ų | 25.3 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -41.4 | -177.6 | -173.9 | 67.3 | -179.3 | 145.9 | 5.6 | 112.5 | L132 L133 N134 C151 Y254 G256 | R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.97Å; R130-L133 PolarHBondContact O-N 3.41Å; R130-N134 PolarHBondContact O-N 3.09Å; R130-C151 PolarHBondContact NH1-SG 3.32Å; R130-Y254 WeakPolarHBondContact CG-O 3.48Å; R130-G256 PolarHBondContact N-O 3.44Å |
| 131 | R | 94.4 | Very high | 95 | Very high | 90 Ų | 90 | 27.8 Ų | 27.8 | 34% | 0.34 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67 | -30.9 | 176.7 | -59 | -173.8 | -167.3 | -174.5 | 6.7 | 112.9 | H129 G135 D217 A221 | H129-R131 VanDerWaalsContact C-N 3.3Å; H129-R131 WeakPolarHBondContact ND1-CB 3.01Å; H129-R131 PolarHBondContact ND1-N 2.79Å; H129-R131 VanDerWaalsContact ND1-N 3.19Å; H129-R131 PolarHBondContact O-N 3.25Å; R131-G135 PolarHBondContact O-N 2.9Å; R131-D217 HydrophobicContact CB-CB 4.17Å; R131-A221 HydrophobicContact CB-CB 4.14Å |
| 132 | L | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | 175.3 | -178.6 | 59.6 | 0 | 0 | 0 | 110.6 | H129 R130 N134 G135 I136 L206 A218 A221 L222 L225 F243 | H129-L132 HydrophobicContact CB-CB 4.03Å; H129-L132 WeakPolarHBondContact O-CB 3.5Å; H129-L132 PolarHBondContact O-N 3.43Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.97Å; L132-N134 PolarHBondContact O-N 3.33Å; L132-G135 PolarHBondContact O-N 3.34Å; L132-I136 HydrophobicContact CD1-CD1 4.19Å; L132-I136 HydrophobicContact CD1-CG1 4.28Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 HydrophobicContact CG-CG1 4.45Å; L132-I136 WeakPolarHBondContact O-CG1 3.15Å; L132-I136 PolarHBondContact O-N 3.01Å; L132-L206 HydrophobicContact CD2-CD1 4.36Å; L132-A218 HydrophobicContact CD1-CB 4.16Å; L132-A221 HydrophobicContact CB-CB 3.69Å; L132-L222 HydrophobicContact CD1-CD2 4.21Å; L132-L222 HydrophobicContact CD1-CG 4.1Å; L132-L222 HydrophobicContact CD2-CD2 4.06Å; L132-L225 HydrophobicContact CD2-CD1 3.92Å; L132-F243 HydrophobicContact CD2-CE2 3.91Å; L132-F243 HydrophobicContact CD2-CZ 3.56Å |
| 133 | L | 94.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 173.9 | -79.1 | 165.6 | 0 | 0 | 0 | 111.2 | H129 R130 G135 I136 L137 L187 P245 A248 I258 | H129-L133 PolarHBondContact O-N 3.49Å; H129-L133 VanDerWaalsContact O-N 3.1Å; R130-L133 PolarHBondContact O-N 3.41Å; L133-G135 VanDerWaalsContact C-N 3.3Å; L133-G135 PolarHBondContact O-N 3.24Å; L133-I136 PolarHBondContact O-N 2.69Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 2.76Å; L133-L187 HydrophobicContact CD2-CD2 4.2Å; L133-P245 WeakPolarHBondContact CD2-O 3.23Å; L133-A248 HydrophobicContact CD1-CB 3.97Å; L133-A248 HydrophobicContact CD2-CB 4.4Å; L133-I258 HydrophobicContact CD1-CD1 4.09Å |
| 134 | N | 93.2 | Very high | 95.3 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 178.2 | -69.1 | -4.2 | 0 | 0 | 0 | 111.9 | R130 L132 L137 S138 F147 | R130-N134 PolarHBondContact O-N 3.09Å; L132-N134 PolarHBondContact O-N 3.33Å; N134-L137 PolarHBondContact O-N 3.34Å; N134-S138 VanDerWaalsContact O-CB 3.31Å; N134-S138 WeakPolarHBondContact O-CB 3.2Å; N134-S138 PolarHBondContact O-N 2.78Å; N134-F147 HydrophobicContact CB-CD2 4.18Å; N134-F147 HydrophobicContact CB-CE2 3.95Å |
| 135 | G | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R131 L132 L133 S138 V139 | R131-G135 PolarHBondContact O-N 2.9Å; L132-G135 PolarHBondContact O-N 3.34Å; L133-G135 VanDerWaalsContact C-N 3.3Å; L133-G135 PolarHBondContact O-N 3.24Å; G135-S138 PolarHBondContact O-N 2.96Å; G135-V139 WeakPolarHBondContact O-CG1 3.48Å; G135-V139 WeakPolarHBondContact O-CG2 3.4Å; G135-V139 PolarHBondContact O-N 3.48Å |
| 136 | I | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 175.8 | -70.7 | 166.3 | 0 | 0 | 0 | 110.6 | L132 L133 S138 V139 C140 Y186 L212 | L132-I136 HydrophobicContact CD1-CD1 4.19Å; L132-I136 HydrophobicContact CD1-CG1 4.28Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 HydrophobicContact CG-CG1 4.45Å; L132-I136 WeakPolarHBondContact O-CG1 3.15Å; L132-I136 PolarHBondContact O-N 3.01Å; L133-I136 PolarHBondContact O-N 2.69Å; I136-S138 VanDerWaalsContact C-N 3.33Å; I136-S138 PolarHBondContact O-N 3.25Å; I136-V139 VanDerWaalsContact O-CG2 3.28Å; I136-V139 WeakPolarHBondContact O-CG2 3.34Å; I136-V139 PolarHBondContact O-N 3.22Å; I136-C140 WeakPolarHBondContact O-CB 3.46Å; I136-C140 PolarHBondContact O-N 3.26Å; I136-C140 PolarHBondContact O-SG 3.15Å; I136-Y186 HydrophobicContact CG1-CG 4.43Å; I136-Y186 HydrophobicContact CG2-CD2 3.96Å; I136-Y186 HydrophobicContact CG2-CG 4.06Å; I136-L212 HydrophobicContact CG1-CD1 4.47Å; I136-L212 HydrophobicContact CG1-CD2 4.01Å |
| 137 | L | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.5 | -66.4 | -175 | 0 | 0 | 0 | 111.8 | L133 N134 C140 G141 V142 F147 V150 I154 M183 | L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 2.76Å; N134-L137 PolarHBondContact O-N 3.34Å; L137-C140 PolarHBondContact O-N 2.69Å; L137-G141 PolarHBondContact O-N 2.55Å; L137-V142 HydrophobicContact CB-CB 4.12Å; L137-V142 HydrophobicContact CB-CG2 4.35Å; L137-V142 HydrophobicContact CD2-CG2 4.19Å; L137-V142 WeakPolarHBondContact O-CB 3.32Å; L137-V142 PolarHBondContact O-N 3.04Å; L137-F147 HydrophobicContact CB-CD1 3.96Å; L137-F147 HydrophobicContact CB-CE1 3.63Å; L137-F147 HydrophobicContact CB-CZ 3.97Å; L137-F147 HydrophobicContact CD1-CB 4.21Å; L137-F147 HydrophobicContact CD1-CD1 3.96Å; L137-F147 HydrophobicContact CD1-CE1 4.48Å; L137-F147 HydrophobicContact CD1-CG 4.03Å; L137-V150 HydrophobicContact CD1-CG1 4.18Å; L137-V150 HydrophobicContact CD2-CG1 3.7Å; L137-I154 HydrophobicContact CD2-CD1 3.92Å; L137-M183 HydrophobicContact CD2-CE 3.74Å; L137-M183 HydrophobicContact CD2-SD 4.28Å |
| 138 | S | 95.4 | Very high | 94 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 178 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | N134 G135 I136 C140 G141 | N134-S138 VanDerWaalsContact O-CB 3.31Å; N134-S138 WeakPolarHBondContact O-CB 3.2Å; N134-S138 PolarHBondContact O-N 2.78Å; G135-S138 PolarHBondContact O-N 2.96Å; I136-S138 VanDerWaalsContact C-N 3.33Å; I136-S138 PolarHBondContact O-N 3.25Å; S138-C140 VanDerWaalsContact C-N 3.26Å; S138-C140 PolarHBondContact O-N 3.5Å; S138-G141 PolarHBondContact O-N 3.11Å |
| 139 | V | 96.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -24.2 | -179 | -60 | 0 | 0 | 0 | 0 | 113.1 | G135 I136 G141 Y186 L211 L212 N215 | G135-V139 WeakPolarHBondContact O-CG1 3.48Å; G135-V139 WeakPolarHBondContact O-CG2 3.4Å; G135-V139 PolarHBondContact O-N 3.48Å; I136-V139 VanDerWaalsContact O-CG2 3.28Å; I136-V139 WeakPolarHBondContact O-CG2 3.34Å; I136-V139 PolarHBondContact O-N 3.22Å; V139-G141 VanDerWaalsContact C-N 3.25Å; V139-Y186 HydrophobicContact CG2-CE2 4.28Å; V139-L211 HydrophobicContact CB-CB 4.01Å; V139-L211 HydrophobicContact CG1-CB 4.21Å; V139-L211 HydrophobicContact CG2-CB 4.43Å; V139-L212 HydrophobicContact CG1-CD2 4.33Å; V139-L212 HydrophobicContact CG2-CD2 3.73Å; V139-L212 HydrophobicContact CG2-CG 4.34Å; V139-N215 HydrophobicContact CG1-CB 4.1Å |
| 140 | C | 95.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.4 | 173 | -66.3 | 0 | 0 | 0 | 0 | 113 | I136 L137 S138 V179 A182 M183 | I136-C140 WeakPolarHBondContact O-CB 3.46Å; I136-C140 PolarHBondContact O-N 3.26Å; I136-C140 PolarHBondContact O-SG 3.15Å; L137-C140 PolarHBondContact O-N 2.69Å; S138-C140 VanDerWaalsContact C-N 3.26Å; S138-C140 PolarHBondContact O-N 3.5Å; C140-V179 HydrophobicContact CB-CG1 4.44Å; C140-V179 WeakPolarHBondContact O-CG2 3.28Å; C140-A182 HydrophobicContact CB-CB 4.2Å; C140-M183 HydrophobicContact CB-CG 3.82Å |
| 141 | G | 94.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 23 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L137 S138 V139 | L137-G141 PolarHBondContact O-N 2.55Å; S138-G141 PolarHBondContact O-N 3.11Å; V139-G141 VanDerWaalsContact C-N 3.25Å |
| 142 | V | 95.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | trans | -77.2 | 137.5 | 170 | -177 | 0 | 0 | 0 | 0 | 108.9 | L137 F147 V150 L175 V179 M183 | L137-V142 HydrophobicContact CB-CB 4.12Å; L137-V142 HydrophobicContact CB-CG2 4.35Å; L137-V142 HydrophobicContact CD2-CG2 4.19Å; L137-V142 WeakPolarHBondContact O-CB 3.32Å; L137-V142 PolarHBondContact O-N 3.04Å; V142-F147 HydrophobicContact CB-CD1 4.3Å; V142-F147 HydrophobicContact CB-CE1 3.99Å; V142-F147 HydrophobicContact CG1-CD1 3.82Å; V142-F147 HydrophobicContact CG1-CE1 4.01Å; V142-F147 VanDerWaalsContact O-CE1 3.31Å; V142-F147 WeakPolarHBondContact O-CE1 2.91Å; V142-V150 HydrophobicContact CG1-CG2 3.98Å; V142-L175 HydrophobicContact CG1-CD2 4.45Å; V142-L175 HydrophobicContact CG2-CD1 4.23Å; V142-V179 HydrophobicContact CG2-CG1 3.61Å; V142-M183 HydrophobicContact CG2-SD 3.97Å | ||
| 143 | E | 93.7 | Very high | 92.9 | Very high | 146 Ų | 146 | 42.6 Ų | 42.6 | 68% | 0.682 | 26% | 0.255 | S | S | * | . | trans | -73.8 | 140.8 | 174.1 | -64.2 | -174.7 | 174 | 0 | 0 | 111.3 | A145 S146 F147 | E143-A145 PolarHBondContact O-N 3.25Å; E143-A145 VanDerWaalsContact O-N 3.17Å; E143-S146 WeakPolarHBondContact O-CA 3.45Å; E143-S146 WeakPolarHBondContact O-CB 3.03Å; E143-S146 PolarHBondContact O-N 2.99Å; E143-F147 VanDerWaalsContact O-CD1 3.27Å; E143-F147 WeakPolarHBondContact O-CD1 3.48Å; E143-F147 PolarHBondContact O-N 3.27Å | ||
| 144 | E | 91.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 42.5 Ų | 42.5 | 77% | 0.766 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -55.9 | -37 | -176.4 | -169 | 178.1 | 176.2 | 0 | 0 | 113 | S146 F147 | E144-S146 PolarHBondContact O-N 2.88Å; E144-S146 VanDerWaalsContact O-N 3.14Å; E144-F147 HydrophobicContact CG-CD2 4.24Å; E144-F147 HydrophobicContact CG-CE2 4.26Å; E144-F147 WeakPolarHBondContact O-CB 3.48Å; E144-F147 PolarHBondContact O-N 3.4Å; E144-F147 VanDerWaalsContact O-N 3.07Å |
| 145 | A | 91.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -59.7 | -24.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E143 | E143-A145 PolarHBondContact O-N 3.25Å; E143-A145 VanDerWaalsContact O-N 3.17Å |
| 146 | S | 91.5 | Very high | 92.2 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -97 | -4.6 | 179.8 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | E143 E144 K148 T149 V150 | E143-S146 WeakPolarHBondContact O-CA 3.45Å; E143-S146 WeakPolarHBondContact O-CB 3.03Å; E143-S146 PolarHBondContact O-N 2.99Å; E144-S146 PolarHBondContact O-N 2.88Å; E144-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 VanDerWaalsContact C-N 3.26Å; S146-K148 PolarHBondContact O-N 3.48Å; S146-T149 PolarHBondContact O-N 2.87Å; S146-T149 PolarHBondContact O-OG1 3.4Å; S146-V150 WeakPolarHBondContact O-CB 3.45Å; S146-V150 VanDerWaalsContact O-CG2 3.26Å; S146-V150 WeakPolarHBondContact O-CG2 3.48Å; S146-V150 PolarHBondContact O-N 3.48Å |
| 147 | F | 91.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 47 Ų | 47 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -41.9 | -175.2 | -80.4 | 10.1 | 0 | 0 | 0 | 112.8 | N134 L137 V142 E143 E144 C151 | N134-F147 HydrophobicContact CB-CD2 4.18Å; N134-F147 HydrophobicContact CB-CE2 3.95Å; L137-F147 HydrophobicContact CB-CD1 3.96Å; L137-F147 HydrophobicContact CB-CE1 3.63Å; L137-F147 HydrophobicContact CB-CZ 3.97Å; L137-F147 HydrophobicContact CD1-CB 4.21Å; L137-F147 HydrophobicContact CD1-CD1 3.96Å; L137-F147 HydrophobicContact CD1-CE1 4.48Å; L137-F147 HydrophobicContact CD1-CG 4.03Å; V142-F147 HydrophobicContact CB-CD1 4.3Å; V142-F147 HydrophobicContact CB-CE1 3.99Å; V142-F147 HydrophobicContact CG1-CD1 3.82Å; V142-F147 HydrophobicContact CG1-CE1 4.01Å; V142-F147 VanDerWaalsContact O-CE1 3.31Å; V142-F147 WeakPolarHBondContact O-CE1 2.91Å; E143-F147 VanDerWaalsContact O-CD1 3.27Å; E143-F147 WeakPolarHBondContact O-CD1 3.48Å; E143-F147 PolarHBondContact O-N 3.27Å; E144-F147 HydrophobicContact CG-CD2 4.24Å; E144-F147 HydrophobicContact CG-CE2 4.26Å; E144-F147 WeakPolarHBondContact O-CB 3.48Å; E144-F147 PolarHBondContact O-N 3.4Å; E144-F147 VanDerWaalsContact O-N 3.07Å; F147-C151 WeakPolarHBondContact O-CB 3.43Å; F147-C151 PolarHBondContact O-N 2.88Å; F147-C151 PolarHBondContact O-SG 3.48Å |
| 148 | K | 86.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | -178.4 | -175.4 | 176.9 | 173.9 | 172.7 | 0 | 112.3 | S146 V150 C151 S152 D252 | S146-K148 VanDerWaalsContact C-N 3.26Å; S146-K148 PolarHBondContact O-N 3.48Å; K148-V150 VanDerWaalsContact C-N 3.33Å; K148-C151 PolarHBondContact O-N 2.97Å; K148-S152 PolarHBondContact O-N 3.39Å; K148-S152 VanDerWaalsContact O-N 3.07Å; K148-D252 VanDerWaalsContact CE-CG 3.42Å; K148-D252 WeakPolarHBondContact CE-OD1 3.47Å; K148-D252 WeakPolarHBondContact CE-OD2 3.48Å; K148-D252 IonicContact NZ-OD1 2.85Å; K148-D252 IonicContact NZ-OD2 3.06Å; K148-D252 PolarHBondContact NZ-OD2 3.2Å |
| 149 | T | 88.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | S146 S152 S153 | S146-T149 PolarHBondContact O-N 2.87Å; S146-T149 PolarHBondContact O-OG1 3.4Å; T149-S152 WeakPolarHBondContact O-CB 3.42Å; T149-S152 PolarHBondContact O-N 3.1Å; T149-S153 PolarHBondContact O-N 3.01Å; T149-S153 PolarHBondContact O-OG 3.29Å |
| 150 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L137 V142 S146 K148 S152 S153 I154 L169 L175 M183 | L137-V150 HydrophobicContact CD1-CG1 4.18Å; L137-V150 HydrophobicContact CD2-CG1 3.7Å; V142-V150 HydrophobicContact CG1-CG2 3.98Å; S146-V150 WeakPolarHBondContact O-CB 3.45Å; S146-V150 VanDerWaalsContact O-CG2 3.26Å; S146-V150 WeakPolarHBondContact O-CG2 3.48Å; S146-V150 PolarHBondContact O-N 3.48Å; K148-V150 VanDerWaalsContact C-N 3.33Å; V150-S152 VanDerWaalsContact C-N 3.27Å; V150-S152 PolarHBondContact O-N 3.28Å; V150-S153 PolarHBondContact O-N 3.38Å; V150-S153 VanDerWaalsContact O-N 3.09Å; V150-I154 HydrophobicContact CG1-CD1 3.92Å; V150-I154 HydrophobicContact CG1-CG1 4.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 3.17Å; V150-L169 HydrophobicContact CB-CD2 4.37Å; V150-L169 HydrophobicContact CG1-CD2 3.9Å; V150-L169 HydrophobicContact CG2-CD2 4.29Å; V150-L175 HydrophobicContact CG1-CD1 4.45Å; V150-L175 HydrophobicContact CG2-CD1 3.86Å; V150-M183 HydrophobicContact CG1-CE 3.63Å |
| 151 | C | 91.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 174.5 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | R130 F147 K148 S153 I154 D155 A248 | R130-C151 PolarHBondContact NH1-SG 3.32Å; F147-C151 WeakPolarHBondContact O-CB 3.43Å; F147-C151 PolarHBondContact O-N 2.88Å; F147-C151 PolarHBondContact O-SG 3.48Å; K148-C151 PolarHBondContact O-N 2.97Å; C151-S153 VanDerWaalsContact C-N 3.3Å; C151-S153 PolarHBondContact O-N 3.11Å; C151-I154 PolarHBondContact O-N 3.22Å; C151-D155 PolarHBondContact O-N 2.73Å; C151-A248 HydrophobicContact CB-CB 4.38Å |
| 152 | S | 88.2 | Confident | 89.6 | Confident | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 174 | 175 | 0 | 0 | 0 | 0 | 112.5 | K148 T149 V150 | K148-S152 PolarHBondContact O-N 3.39Å; K148-S152 VanDerWaalsContact O-N 3.07Å; T149-S152 WeakPolarHBondContact O-CB 3.42Å; T149-S152 PolarHBondContact O-N 3.1Å; V150-S152 VanDerWaalsContact C-N 3.27Å; V150-S152 PolarHBondContact O-N 3.28Å |
| 153 | S | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 173.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | T149 V150 C151 D155 K156 V165 E168 K173 | T149-S153 PolarHBondContact O-N 3.01Å; T149-S153 PolarHBondContact O-OG 3.29Å; V150-S153 PolarHBondContact O-N 3.38Å; V150-S153 VanDerWaalsContact O-N 3.09Å; C151-S153 VanDerWaalsContact C-N 3.3Å; C151-S153 PolarHBondContact O-N 3.11Å; S153-D155 PolarHBondContact O-N 2.89Å; S153-K156 WeakPolarHBondContact O-CB 3.31Å; S153-K156 PolarHBondContact O-N 3.4Å; S153-K156 VanDerWaalsContact O-N 3.11Å; S153-V165 VanDerWaalsContact O-CG1 3.31Å; S153-V165 WeakPolarHBondContact O-CG1 3.27Å; S153-E168 WeakPolarHBondContact CB-OE1 3.2Å; S153-E168 PolarHBondContact OG-OE1 2.74Å; S153-K173 VanDerWaalsContact OG-CE 3.23Å; S153-K173 WeakPolarHBondContact OG-CE 3.33Å |
| 154 | I | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 175.7 | -66.9 | 168.3 | 0 | 0 | 0 | 111.2 | L137 V150 C151 K156 L157 M183 L187 S246 A248 | L137-I154 HydrophobicContact CD2-CD1 3.92Å; V150-I154 HydrophobicContact CG1-CD1 3.92Å; V150-I154 HydrophobicContact CG1-CG1 4.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 3.17Å; C151-I154 PolarHBondContact O-N 3.22Å; I154-K156 PolarHBondContact O-N 2.64Å; I154-L157 HydrophobicContact CG2-CD1 4.14Å; I154-L157 VanDerWaalsContact O-CB 3.29Å; I154-L157 WeakPolarHBondContact O-CB 3.28Å; I154-L157 WeakPolarHBondContact O-CG 3.25Å; I154-L157 PolarHBondContact O-N 3.37Å; I154-M183 HydrophobicContact CD1-CE 3.81Å; I154-M183 HydrophobicContact CG1-CE 4.18Å; I154-L187 HydrophobicContact CD1-CD1 3.67Å; I154-L187 HydrophobicContact CD1-CD2 4.4Å; I154-L187 HydrophobicContact CG1-CD1 3.78Å; I154-L187 HydrophobicContact CG2-CD1 4.18Å; I154-L187 HydrophobicContact CG2-CD2 4.29Å; I154-S246 WeakPolarHBondContact CG2-O 3.45Å; I154-A248 HydrophobicContact CB-CB 4.16Å; I154-A248 HydrophobicContact CG2-CB 3.8Å |
| 155 | D | 88.2 | Confident | 89.8 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -56.5 | -25.1 | 178.6 | -164.6 | 59 | 0 | 0 | 0 | 113.2 | C151 S153 L157 R249 | C151-D155 PolarHBondContact O-N 2.73Å; S153-D155 PolarHBondContact O-N 2.89Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.34Å; D155-R249 WeakPolarHBondContact OD1-CA 3.21Å; D155-R249 WeakPolarHBondContact OD1-CG 3.23Å; D155-R249 PolarHBondContact OD1-N 3.33Å; D155-R249 IonicContact OD2-NE 2.67Å; D155-R249 IonicContact OD2-NH2 2.7Å |
| 156 | K | 87.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -76 | -10.5 | 179.4 | -59.5 | 171 | 179.2 | 172.4 | 0 | 113.1 | S153 I154 D158 K159 Q160 V165 E168 | S153-K156 WeakPolarHBondContact O-CB 3.31Å; S153-K156 PolarHBondContact O-N 3.4Å; S153-K156 VanDerWaalsContact O-N 3.11Å; I154-K156 PolarHBondContact O-N 2.64Å; K156-D158 PolarHBondContact O-N 2.87Å; K156-D158 VanDerWaalsContact O-N 3.12Å; K156-K159 CarbonylContact O-C 3.58Å; K156-K159 PolarHBondContact O-N 2.87Å; K156-Q160 PolarHBondContact O-N 2.89Å; K156-V165 HydrophobicContact CB-CG2 4.15Å; K156-E168 WeakPolarHBondContact CD-OE2 3.44Å; K156-E168 IonicContact NZ-OE1 3.25Å; K156-E168 PolarHBondContact NZ-OE1 2.67Å; K156-E168 IonicContact NZ-OE2 3.7Å; K156-E168 PolarHBondContact NZ-OE2 3.35Å |
| 157 | L | 88.3 | Confident | 90.3 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -63.1 | -16 | 178.6 | -74 | 171.2 | 0 | 0 | 0 | 113.7 | I154 D155 K159 W162 V165 | I154-L157 HydrophobicContact CG2-CD1 4.14Å; I154-L157 VanDerWaalsContact O-CB 3.29Å; I154-L157 WeakPolarHBondContact O-CB 3.28Å; I154-L157 WeakPolarHBondContact O-CG 3.25Å; I154-L157 PolarHBondContact O-N 3.37Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.34Å; L157-K159 PolarHBondContact O-N 3.32Å; L157-W162 HydrophobicContact CD1-CE3 3.93Å; L157-W162 HydrophobicContact CD1-CZ3 4.04Å; L157-W162 HydrophobicContact CD2-CB 4.24Å; L157-W162 HydrophobicContact CD2-CE3 3.7Å; L157-W162 HydrophobicContact CD2-CZ3 4.49Å; L157-W162 HydrophobicContact CG-CE3 4.44Å; L157-V165 HydrophobicContact CD2-CB 3.81Å; L157-V165 HydrophobicContact CD2-CG1 4.16Å; L157-V165 HydrophobicContact CD2-CG2 3.61Å; L157-V165 HydrophobicContact CG-CB 4.32Å; L157-V165 HydrophobicContact CG-CG1 4.19Å; L157-V165 HydrophobicContact CG-CG2 3.99Å |
| 158 | D | 80.4 | Confident | 90.6 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -74.3 | -15.5 | 171.9 | 81.5 | -46.5 | 0 | 0 | 0 | 113.3 | K156 R249 | K156-D158 PolarHBondContact O-N 2.87Å; K156-D158 VanDerWaalsContact O-N 3.12Å; D158-R249 IonicContact OD1-NH2 2.74Å; D158-R249 PolarHBondContact OD1-NH2 3.5Å; D158-R249 IonicContact OD2-CZ 2.77Å; D158-R249 IonicContact OD2-NH1 3.14Å; D158-R249 PolarHBondContact OD2-NH1 2.89Å; D158-R249 IonicContact OD2-NH2 3.52Å; D158-R249 PolarHBondContact OD2-NH2 3.34Å |
| 159 | K | 78.7 | Confident | 91 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -28.5 | -175 | -66.9 | 160.1 | -166.9 | 160.5 | 0 | 113.2 | K156 L157 R249 T278 | K156-K159 CarbonylContact O-C 3.58Å; K156-K159 PolarHBondContact O-N 2.87Å; L157-K159 PolarHBondContact O-N 3.32Å; K159-R249 VanDerWaalsContact CE-NH2 3.32Å; K159-T278 HydrophobicContact CB-CG2 4.36Å; K159-T278 HydrophobicContact CD-CG2 4.42Å; K159-T278 HydrophobicContact CG-CG2 3.68Å |
| 160 | Q | 86.7 | Confident | 91.4 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -121.9 | 142.1 | -171.9 | -68.8 | 178.9 | -11.8 | 0 | 0 | 110.3 | K156 E164 V165 | K156-Q160 PolarHBondContact O-N 2.89Å; Q160-E164 HydrophobicContact CB-CB 4.29Å; Q160-V165 HydrophobicContact CB-CG2 3.97Å |
| 161 | P | 91.1 | Very high | 91.6 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | trans | -63.4 | 152.7 | 172.7 | 28.5 | -34.1 | 0 | 0 | 0 | 110.5 | V163 E164 V165 | P161-V163 PolarHBondContact O-N 2.7Å; P161-E164 HydrophobicContact CG-CB 4.38Å; P161-E164 HydrophobicContact CG-CG 3.98Å; P161-E164 PolarHBondContact O-N 2.99Å; P161-V165 PolarHBondContact O-N 3.32Å | ||
| 162 | W | 93.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -49.8 | -36.6 | 179 | 173.5 | -105.6 | 0 | 0 | 0 | 113.2 | L157 E164 V165 A166 L169 V180 M183 E184 L187 | L157-W162 HydrophobicContact CD1-CE3 3.93Å; L157-W162 HydrophobicContact CD1-CZ3 4.04Å; L157-W162 HydrophobicContact CD2-CB 4.24Å; L157-W162 HydrophobicContact CD2-CE3 3.7Å; L157-W162 HydrophobicContact CD2-CZ3 4.49Å; L157-W162 HydrophobicContact CG-CE3 4.44Å; W162-E164 VanDerWaalsContact C-N 3.31Å; W162-E164 PolarHBondContact O-N 3.31Å; W162-V165 PolarHBondContact O-N 2.9Å; W162-A166 HydrophobicContact CZ2-CB 4.29Å; W162-A166 WeakPolarHBondContact O-CB 3.26Å; W162-A166 PolarHBondContact O-N 3.15Å; W162-L169 HydrophobicContact CH2-CD1 4.35Å; W162-V180 HydrophobicContact CH2-CG1 4.26Å; W162-V180 HydrophobicContact CZ2-CG1 3.64Å; W162-V180 WeakPolarHBondContact CZ2-O 3.16Å; W162-M183 HydrophobicContact CH2-CB 4.08Å; W162-E184 HydrophobicContact CD2-CB 4.34Å; W162-E184 HydrophobicContact CD2-CG 4Å; W162-E184 HydrophobicContact CG-CG 4.2Å; W162-E184 HydrophobicContact CH2-CB 4.12Å; W162-E184 HydrophobicContact CZ2-CB 3.42Å; W162-E184 VanDerWaalsContact CZ2-CB 3.42Å; W162-E184 HydrophobicContact CZ2-CG 4.01Å; W162-E184 PolarHBondContact NE1-OE2 3.28Å; W162-L187 HydrophobicContact CH2-CD1 4.3Å; W162-L187 HydrophobicContact CZ3-CB 4.46Å; W162-L187 HydrophobicContact CZ3-CD1 3.94Å |
| 163 | V | 95.2 | Very high | 91.9 | Very high | 114 Ų | 114 | 52 Ų | 52 | 69% | 0.691 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.6 | -40.5 | 180 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | P161 A167 | P161-V163 PolarHBondContact O-N 2.7Å; V163-A167 WeakPolarHBondContact O-CB 3.36Å; V163-A167 PolarHBondContact O-N 2.89Å; V163-A167 VanDerWaalsContact O-N 3.1Å |
| 164 | E | 95.3 | Very high | 92.1 | Very high | 103 Ų | 103 | 59.6 Ų | 59.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.7 | -43.8 | 178.6 | -72.7 | 177.3 | -153.2 | 0 | 0 | 111.2 | Q160 P161 W162 A166 A167 E168 | Q160-E164 HydrophobicContact CB-CB 4.29Å; P161-E164 HydrophobicContact CG-CB 4.38Å; P161-E164 HydrophobicContact CG-CG 3.98Å; P161-E164 PolarHBondContact O-N 2.99Å; W162-E164 VanDerWaalsContact C-N 3.31Å; W162-E164 PolarHBondContact O-N 3.31Å; E164-A166 VanDerWaalsContact C-N 3.34Å; E164-A166 PolarHBondContact O-N 3.4Å; E164-A167 WeakPolarHBondContact O-CB 3.26Å; E164-A167 PolarHBondContact O-N 2.98Å; E164-E168 PolarHBondContact O-N 3.1Å |
| 165 | V | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | S153 K156 L157 Q160 P161 W162 A167 E168 L169 | S153-V165 VanDerWaalsContact O-CG1 3.31Å; S153-V165 WeakPolarHBondContact O-CG1 3.27Å; K156-V165 HydrophobicContact CB-CG2 4.15Å; L157-V165 HydrophobicContact CD2-CB 3.81Å; L157-V165 HydrophobicContact CD2-CG1 4.16Å; L157-V165 HydrophobicContact CD2-CG2 3.61Å; L157-V165 HydrophobicContact CG-CB 4.32Å; L157-V165 HydrophobicContact CG-CG1 4.19Å; L157-V165 HydrophobicContact CG-CG2 3.99Å; Q160-V165 HydrophobicContact CB-CG2 3.97Å; P161-V165 PolarHBondContact O-N 3.32Å; W162-V165 PolarHBondContact O-N 2.9Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 2.9Å; V165-E168 PolarHBondContact O-N 3.18Å; V165-L169 HydrophobicContact CG1-CD1 4.17Å; V165-L169 HydrophobicContact CG1-CG 4.41Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.44Å; V165-L169 PolarHBondContact O-N 3.27Å |
| 166 | A | 96.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W162 E164 L169 I170 V180 | W162-A166 HydrophobicContact CZ2-CB 4.29Å; W162-A166 WeakPolarHBondContact O-CB 3.26Å; W162-A166 PolarHBondContact O-N 3.15Å; E164-A166 VanDerWaalsContact C-N 3.34Å; E164-A166 PolarHBondContact O-N 3.4Å; A166-L169 PolarHBondContact O-N 3.09Å; A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.37Å; A166-I170 PolarHBondContact O-N 3.43Å; A166-V180 HydrophobicContact CB-CG1 3.71Å |
| 167 | A | 96.9 | Very high | 93.1 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V163 E164 V165 I170 N171 | V163-A167 WeakPolarHBondContact O-CB 3.36Å; V163-A167 PolarHBondContact O-N 2.89Å; V163-A167 VanDerWaalsContact O-N 3.1Å; E164-A167 WeakPolarHBondContact O-CB 3.26Å; E164-A167 PolarHBondContact O-N 2.98Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 2.9Å; A167-I170 PolarHBondContact O-N 3.26Å; A167-N171 VanDerWaalsContact O-CB 3.23Å; A167-N171 WeakPolarHBondContact O-CB 3.29Å; A167-N171 VanDerWaalsContact O-CG 3.25Å; A167-N171 PolarHBondContact O-N 3.35Å; A167-N171 PolarHBondContact O-ND2 3.23Å; A167-N171 VanDerWaalsContact O-ND2 3.1Å |
| 168 | E | 95.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 12% | 0.117 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.1 | -178.7 | -179.4 | 145.2 | 0 | 0 | 111.8 | S153 K156 E164 V165 I170 D172 K173 | S153-E168 WeakPolarHBondContact CB-OE1 3.2Å; S153-E168 PolarHBondContact OG-OE1 2.74Å; K156-E168 WeakPolarHBondContact CD-OE2 3.44Å; K156-E168 IonicContact NZ-OE1 3.25Å; K156-E168 PolarHBondContact NZ-OE1 2.67Å; K156-E168 IonicContact NZ-OE2 3.7Å; K156-E168 PolarHBondContact NZ-OE2 3.35Å; E164-E168 PolarHBondContact O-N 3.1Å; V165-E168 PolarHBondContact O-N 3.18Å; E168-I170 VanDerWaalsContact C-N 3.28Å; E168-I170 PolarHBondContact O-N 2.96Å; E168-D172 HydrophobicContact CG-CB 4.16Å; E168-D172 WeakPolarHBondContact O-CA 3.32Å; E168-D172 WeakPolarHBondContact O-CB 3.48Å; E168-D172 PolarHBondContact O-N 2.85Å; E168-K173 PolarHBondContact O-N 3.19Å; E168-K173 VanDerWaalsContact O-N 3.15Å |
| 169 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 179 | -72.8 | 172.7 | 0 | 0 | 0 | 112.2 | V150 W162 V165 A166 K173 H174 L175 V180 M183 | V150-L169 HydrophobicContact CB-CD2 4.37Å; V150-L169 HydrophobicContact CG1-CD2 3.9Å; V150-L169 HydrophobicContact CG2-CD2 4.29Å; W162-L169 HydrophobicContact CH2-CD1 4.35Å; V165-L169 HydrophobicContact CG1-CD1 4.17Å; V165-L169 HydrophobicContact CG1-CG 4.41Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.44Å; V165-L169 PolarHBondContact O-N 3.27Å; A166-L169 PolarHBondContact O-N 3.09Å; L169-K173 HydrophobicContact CD2-CG 4.3Å; L169-K173 CarbonylContact O-C 3.55Å; L169-K173 WeakPolarHBondContact O-CB 3.38Å; L169-H174 PolarHBondContact O-N 3.3Å; L169-L175 HydrophobicContact CB-CD1 4.33Å; L169-L175 HydrophobicContact CD2-CD1 4.08Å; L169-L175 WeakPolarHBondContact O-CB 3.29Å; L169-L175 PolarHBondContact O-N 3.32Å; L169-V180 HydrophobicContact CB-CG2 3.84Å; L169-V180 HydrophobicContact CD1-CG1 4.38Å; L169-V180 HydrophobicContact CD1-CG2 4.44Å; L169-M183 HydrophobicContact CD1-CE 3.8Å |
| 170 | I | 96.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.4 | -51.8 | 178.8 | -65.4 | 169 | 0 | 0 | 0 | 111 | A166 A167 E168 H174 V180 | A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.37Å; A166-I170 PolarHBondContact O-N 3.43Å; A167-I170 PolarHBondContact O-N 3.26Å; E168-I170 VanDerWaalsContact C-N 3.28Å; E168-I170 PolarHBondContact O-N 2.96Å; I170-H174 VanDerWaalsContact O-CA 3.26Å; I170-H174 WeakPolarHBondContact O-CA 3.45Å; I170-H174 PolarHBondContact O-N 2.95Å; I170-V180 HydrophobicContact CG1-CB 4.35Å; I170-V180 HydrophobicContact CG1-CG2 3.85Å |
| 171 | N | 96.5 | Very high | 95.5 | Very high | 103 Ų | 103 | 62.9 Ų | 62.9 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -81 | -41.3 | -168.3 | -62.5 | -34.6 | 0 | 0 | 0 | 112.5 | A167 H174 | A167-N171 VanDerWaalsContact O-CB 3.23Å; A167-N171 WeakPolarHBondContact O-CB 3.29Å; A167-N171 VanDerWaalsContact O-CG 3.25Å; A167-N171 PolarHBondContact O-N 3.35Å; A167-N171 PolarHBondContact O-ND2 3.23Å; A167-N171 VanDerWaalsContact O-ND2 3.1Å; N171-H174 PolarHBondContact O-CE1 2.96Å; N171-H174 PolarHBondContact O-ND1 2.63Å |
| 172 | D | 94.7 | Very high | 95.7 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -31.4 | -171.2 | -59.7 | -6.6 | 0 | 0 | 0 | 112.1 | E168 | E168-D172 HydrophobicContact CG-CB 4.16Å; E168-D172 WeakPolarHBondContact O-CA 3.32Å; E168-D172 WeakPolarHBondContact O-CB 3.48Å; E168-D172 PolarHBondContact O-N 2.85Å |
| 173 | K | 93.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 27% | 0.274 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -99.4 | -2.1 | 176.5 | -46.3 | -54.8 | -178.3 | -166 | 0 | 113.2 | S153 E168 L169 L175 | S153-K173 VanDerWaalsContact OG-CE 3.23Å; S153-K173 WeakPolarHBondContact OG-CE 3.33Å; E168-K173 PolarHBondContact O-N 3.19Å; E168-K173 VanDerWaalsContact O-N 3.15Å; L169-K173 HydrophobicContact CD2-CG 4.3Å; L169-K173 CarbonylContact O-C 3.55Å; L169-K173 WeakPolarHBondContact O-CB 3.38Å; K173-L175 HydrophobicContact CB-CG 4.46Å; K173-L175 PolarHBondContact O-N 2.83Å |
| 174 | H | 95.2 | Very high | 95.8 | Very high | 159 Ų | 159 | 57.5 Ų | 57.5 | 74% | 0.736 | 31% | 0.31 | S | S | * | . | trans | 57.2 | 30.5 | 175.2 | -51.6 | -49.4 | 0 | 0 | 0 | 114.3 | L169 I170 N171 | L169-H174 PolarHBondContact O-N 3.3Å; I170-H174 VanDerWaalsContact O-CA 3.26Å; I170-H174 WeakPolarHBondContact O-CA 3.45Å; I170-H174 PolarHBondContact O-N 2.95Å; N171-H174 PolarHBondContact O-CE1 2.96Å; N171-H174 PolarHBondContact O-ND1 2.63Å | ||
| 175 | L | 95.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | trans | -77.8 | 146 | 172.6 | -62.9 | -174.8 | 0 | 0 | 0 | 111 | V142 V150 L169 K173 V179 V180 M183 | V142-L175 HydrophobicContact CG1-CD2 4.45Å; V142-L175 HydrophobicContact CG2-CD1 4.23Å; V150-L175 HydrophobicContact CG1-CD1 4.45Å; V150-L175 HydrophobicContact CG2-CD1 3.86Å; L169-L175 HydrophobicContact CB-CD1 4.33Å; L169-L175 HydrophobicContact CD2-CD1 4.08Å; L169-L175 WeakPolarHBondContact O-CB 3.29Å; L169-L175 PolarHBondContact O-N 3.32Å; K173-L175 HydrophobicContact CB-CG 4.46Å; K173-L175 PolarHBondContact O-N 2.83Å; L175-V179 HydrophobicContact CD1-CG1 4.32Å; L175-V180 HydrophobicContact CB-CG2 3.85Å; L175-V180 HydrophobicContact CD1-CG2 4.34Å; L175-M183 HydrophobicContact CD1-SD 4.06Å | ||
| 176 | S | 96.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | trans | -69.7 | 148.5 | 174.2 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | Q178 V179 V180 | S176-Q178 PolarHBondContact O-N 3.35Å; S176-Q178 VanDerWaalsContact O-N 3.15Å; S176-V179 WeakPolarHBondContact O-CB 3.49Å; S176-V179 PolarHBondContact O-N 3.3Å; S176-V179 VanDerWaalsContact OG-CG2 3.24Å; S176-V179 WeakPolarHBondContact OG-CG2 3.31Å; S176-V179 PolarHBondContact OG-N 3.26Å; S176-V180 PolarHBondContact O-N 3.38Å | ||
| 177 | S | 96.2 | Very high | 95.7 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 46% | 0.462 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.4 | -29.4 | 176.2 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | N181 | S177-N181 WeakPolarHBondContact O-CB 3.31Å; S177-N181 PolarHBondContact O-N 2.99Å; S177-N181 PolarHBondContact O-ND2 3.37Å; S177-N181 PolarHBondContact O-OD1 2.8Å |
| 178 | Q | 96.6 | Very high | 95.6 | Very high | 165 Ų | 165 | 54.4 Ų | 54.4 | 77% | 0.771 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 175.5 | -175.8 | 178.3 | -6.2 | 0 | 0 | 111.8 | S176 A182 | S176-Q178 PolarHBondContact O-N 3.35Å; S176-Q178 VanDerWaalsContact O-N 3.15Å; Q178-A182 PolarHBondContact O-N 3.03Å |
| 179 | V | 96.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | C140 V142 L175 S176 N181 A182 M183 | C140-V179 HydrophobicContact CB-CG1 4.44Å; C140-V179 WeakPolarHBondContact O-CG2 3.28Å; V142-V179 HydrophobicContact CG2-CG1 3.61Å; L175-V179 HydrophobicContact CD1-CG1 4.32Å; S176-V179 WeakPolarHBondContact O-CB 3.49Å; S176-V179 PolarHBondContact O-N 3.3Å; S176-V179 VanDerWaalsContact OG-CG2 3.24Å; S176-V179 WeakPolarHBondContact OG-CG2 3.31Å; S176-V179 PolarHBondContact OG-N 3.26Å; V179-N181 PolarHBondContact O-N 3.34Å; V179-A182 WeakPolarHBondContact O-CB 2.92Å; V179-A182 PolarHBondContact O-N 2.9Å; V179-M183 HydrophobicContact CG1-SD 4.04Å; V179-M183 WeakPolarHBondContact O-CG 3.45Å; V179-M183 PolarHBondContact O-N 2.81Å |
| 180 | V | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | -179.6 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | W162 A166 L169 I170 L175 S176 A182 M183 E184 | W162-V180 HydrophobicContact CH2-CG1 4.26Å; W162-V180 HydrophobicContact CZ2-CG1 3.64Å; W162-V180 WeakPolarHBondContact CZ2-O 3.16Å; A166-V180 HydrophobicContact CB-CG1 3.71Å; L169-V180 HydrophobicContact CB-CG2 3.84Å; L169-V180 HydrophobicContact CD1-CG1 4.38Å; L169-V180 HydrophobicContact CD1-CG2 4.44Å; I170-V180 HydrophobicContact CG1-CB 4.35Å; I170-V180 HydrophobicContact CG1-CG2 3.85Å; L175-V180 HydrophobicContact CB-CG2 3.85Å; L175-V180 HydrophobicContact CD1-CG2 4.34Å; S176-V180 PolarHBondContact O-N 3.38Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 2.95Å; V180-M183 WeakPolarHBondContact O-CB 3.3Å; V180-M183 PolarHBondContact O-N 3.21Å; V180-M183 VanDerWaalsContact O-N 3.16Å; V180-E184 PolarHBondContact O-N 3.4Å |
| 181 | N | 95.8 | Very high | 95 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 175.1 | -69.7 | -13.8 | 0 | 0 | 0 | 112.5 | S177 V179 E184 A185 | S177-N181 WeakPolarHBondContact O-CB 3.31Å; S177-N181 PolarHBondContact O-N 2.99Å; S177-N181 PolarHBondContact O-ND2 3.37Å; S177-N181 PolarHBondContact O-OD1 2.8Å; V179-N181 PolarHBondContact O-N 3.34Å; N181-E184 PolarHBondContact O-N 3.1Å; N181-A185 PolarHBondContact O-N 3.27Å |
| 182 | A | 95.5 | Very high | 94.6 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | C140 Q178 V179 V180 E184 A185 Y186 | C140-A182 HydrophobicContact CB-CB 4.2Å; Q178-A182 PolarHBondContact O-N 3.03Å; V179-A182 WeakPolarHBondContact O-CB 2.92Å; V179-A182 PolarHBondContact O-N 2.9Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 2.95Å; A182-E184 PolarHBondContact O-N 3.48Å; A182-A185 WeakPolarHBondContact O-CB 3.23Å; A182-A185 PolarHBondContact O-N 3.21Å; A182-Y186 WeakPolarHBondContact O-CD2 3.46Å |
| 183 | M | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.6 | -67.9 | 168.1 | 59.3 | 0 | 0 | 112.2 | L137 C140 V142 V150 I154 W162 L169 L175 V179 V180 A185 Y186 L187 | L137-M183 HydrophobicContact CD2-CE 3.74Å; L137-M183 HydrophobicContact CD2-SD 4.28Å; C140-M183 HydrophobicContact CB-CG 3.82Å; V142-M183 HydrophobicContact CG2-SD 3.97Å; V150-M183 HydrophobicContact CG1-CE 3.63Å; I154-M183 HydrophobicContact CD1-CE 3.81Å; I154-M183 HydrophobicContact CG1-CE 4.18Å; W162-M183 HydrophobicContact CH2-CB 4.08Å; L169-M183 HydrophobicContact CD1-CE 3.8Å; L175-M183 HydrophobicContact CD1-SD 4.06Å; V179-M183 HydrophobicContact CG1-SD 4.04Å; V179-M183 WeakPolarHBondContact O-CG 3.45Å; V179-M183 PolarHBondContact O-N 2.81Å; V180-M183 WeakPolarHBondContact O-CB 3.3Å; V180-M183 PolarHBondContact O-N 3.21Å; V180-M183 VanDerWaalsContact O-N 3.16Å; M183-A185 PolarHBondContact O-N 3.15Å; M183-Y186 PolarHBondContact O-N 3.34Å; M183-Y186 VanDerWaalsContact O-N 3.13Å; M183-L187 HydrophobicContact CB-CD1 4.08Å; M183-L187 HydrophobicContact CE-CD1 4.03Å; M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 WeakPolarHBondContact O-CG 3.05Å; M183-L187 PolarHBondContact O-N 3.09Å |
| 184 | E | 95.5 | Very high | 94.2 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.6 | -39.8 | 177.2 | -169.2 | 176.6 | 174.6 | 0 | 0 | 112.1 | W162 V180 N181 A182 Y186 C188 | W162-E184 HydrophobicContact CD2-CB 4.34Å; W162-E184 HydrophobicContact CD2-CG 4Å; W162-E184 HydrophobicContact CG-CG 4.2Å; W162-E184 HydrophobicContact CH2-CB 4.12Å; W162-E184 HydrophobicContact CZ2-CB 3.42Å; W162-E184 VanDerWaalsContact CZ2-CB 3.42Å; W162-E184 HydrophobicContact CZ2-CG 4.01Å; W162-E184 PolarHBondContact NE1-OE2 3.28Å; V180-E184 PolarHBondContact O-N 3.4Å; N181-E184 PolarHBondContact O-N 3.1Å; A182-E184 PolarHBondContact O-N 3.48Å; E184-Y186 PolarHBondContact O-N 2.88Å; E184-C188 HydrophobicContact CG-CB 4.36Å; E184-C188 WeakPolarHBondContact O-CB 3.28Å; E184-C188 PolarHBondContact O-N 3.09Å; E184-C188 VanDerWaalsContact O-N 3.07Å |
| 185 | A | 93.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N181 A182 M183 S189 | N181-A185 PolarHBondContact O-N 3.27Å; A182-A185 WeakPolarHBondContact O-CB 3.23Å; A182-A185 PolarHBondContact O-N 3.21Å; M183-A185 PolarHBondContact O-N 3.15Å; A185-S189 WeakPolarHBondContact O-CB 3.43Å |
| 186 | Y | 95.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -90.3 | -49.9 | 179.2 | -59 | -69.9 | 0 | 0 | 0 | 113 | I136 V139 A182 M183 E184 C188 S189 L206 D209 L212 | I136-Y186 HydrophobicContact CG1-CG 4.43Å; I136-Y186 HydrophobicContact CG2-CD2 3.96Å; I136-Y186 HydrophobicContact CG2-CG 4.06Å; V139-Y186 HydrophobicContact CG2-CE2 4.28Å; A182-Y186 WeakPolarHBondContact O-CD2 3.46Å; M183-Y186 PolarHBondContact O-N 3.34Å; M183-Y186 VanDerWaalsContact O-N 3.13Å; E184-Y186 PolarHBondContact O-N 2.88Å; Y186-C188 VanDerWaalsContact C-N 3.31Å; Y186-C188 PolarHBondContact O-N 2.78Å; Y186-S189 VanDerWaalsContact O-CB 3.24Å; Y186-S189 WeakPolarHBondContact O-CB 3.27Å; Y186-S189 PolarHBondContact O-N 2.72Å; Y186-S189 PolarHBondContact O-OG 2.96Å; Y186-L206 HydrophobicContact CD1-CD2 3.82Å; Y186-D209 HydrophobicContact CE1-CB 4.48Å; Y186-D209 PolarHBondContact OH-OD1 2.65Å; Y186-D209 PolarHBondContact OH-OD2 3.1Å; Y186-L212 HydrophobicContact CD1-CD1 3.67Å; Y186-L212 HydrophobicContact CD1-CG 4.49Å; Y186-L212 HydrophobicContact CE1-CD1 3.49Å; Y186-L212 VanDerWaalsContact CE1-CD1 3.49Å; Y186-L212 HydrophobicContact CE1-CG 3.95Å |
| 187 | L | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.9 | -31.4 | -173.1 | -63.5 | 174.9 | 0 | 0 | 0 | 112.3 | L133 I154 W162 M183 P245 | L133-L187 HydrophobicContact CD2-CD2 4.2Å; I154-L187 HydrophobicContact CD1-CD1 3.67Å; I154-L187 HydrophobicContact CD1-CD2 4.4Å; I154-L187 HydrophobicContact CG1-CD1 3.78Å; I154-L187 HydrophobicContact CG2-CD1 4.18Å; I154-L187 HydrophobicContact CG2-CD2 4.29Å; W162-L187 HydrophobicContact CH2-CD1 4.3Å; W162-L187 HydrophobicContact CZ3-CB 4.46Å; W162-L187 HydrophobicContact CZ3-CD1 3.94Å; M183-L187 HydrophobicContact CB-CD1 4.08Å; M183-L187 HydrophobicContact CE-CD1 4.03Å; M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 WeakPolarHBondContact O-CG 3.05Å; M183-L187 PolarHBondContact O-N 3.09Å; L187-P245 WeakPolarHBondContact CD2-O 3.44Å |
| 188 | C | 93.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.5 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 113 | E184 Y186 R190 T191 | E184-C188 HydrophobicContact CG-CB 4.36Å; E184-C188 WeakPolarHBondContact O-CB 3.28Å; E184-C188 PolarHBondContact O-N 3.09Å; E184-C188 VanDerWaalsContact O-N 3.07Å; Y186-C188 VanDerWaalsContact C-N 3.31Å; Y186-C188 PolarHBondContact O-N 2.78Å; C188-R190 VanDerWaalsContact C-N 3.28Å; C188-R190 PolarHBondContact O-N 2.75Å; C188-T191 PolarHBondContact O-N 2.68Å; C188-T191 PolarHBondContact O-OG1 3.09Å |
| 189 | S | 93.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -59.3 | -34.6 | -175.6 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | A185 Y186 T191 K192 L202 | A185-S189 WeakPolarHBondContact O-CB 3.43Å; Y186-S189 VanDerWaalsContact O-CB 3.24Å; Y186-S189 WeakPolarHBondContact O-CB 3.27Å; Y186-S189 PolarHBondContact O-N 2.72Å; Y186-S189 PolarHBondContact O-OG 2.96Å; S189-T191 VanDerWaalsContact C-N 3.28Å; S189-T191 PolarHBondContact O-N 3.36Å; S189-K192 WeakPolarHBondContact O-CB 3.49Å; S189-K192 PolarHBondContact O-N 2.94Å; S189-L202 VanDerWaalsContact OG-CD1 3.27Å; S189-L202 WeakPolarHBondContact OG-CD1 3.46Å |
| 190 | R | 93.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 60 Ų | 60 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -53.3 | -43.9 | 178.6 | -174.9 | -178.4 | 179 | 74.3 | 6.7 | 112.4 | C188 K192 I193 N199 L202 F243 E244 | C188-R190 VanDerWaalsContact C-N 3.28Å; C188-R190 PolarHBondContact O-N 2.75Å; R190-K192 PolarHBondContact O-N 2.85Å; R190-K192 VanDerWaalsContact O-N 3.13Å; R190-I193 PolarHBondContact O-N 3.34Å; R190-I193 VanDerWaalsContact O-N 3.15Å; R190-N199 PolarHBondContact NH1-OD1 3.45Å; R190-L202 HydrophobicContact CB-CD2 3.9Å; R190-L202 HydrophobicContact CG-CD2 4.23Å; R190-F243 WeakPolarHBondContact CD-O 3.26Å; R190-F243 PolarHBondContact NH1-O 3.41Å; R190-E244 WeakPolarHBondContact CD-OE2 3.35Å |
| 191 | T | 89.8 | Confident | 93.4 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 69% | 0.693 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -64.1 | -18.8 | -178.9 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | C188 S189 | C188-T191 PolarHBondContact O-N 2.68Å; C188-T191 PolarHBondContact O-OG1 3.09Å; S189-T191 VanDerWaalsContact C-N 3.28Å; S189-T191 PolarHBondContact O-N 3.36Å |
| 192 | K | 89.2 | Confident | 93.5 | Very high | 126 Ų | 126 | 56.5 Ų | 56.5 | 55% | 0.548 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -92.2 | -15 | -178.7 | -58.2 | 174.8 | -175.9 | 167.4 | 0 | 112.5 | S189 R190 K194 | S189-K192 WeakPolarHBondContact O-CB 3.49Å; S189-K192 PolarHBondContact O-N 2.94Å; R190-K192 PolarHBondContact O-N 2.85Å; R190-K192 VanDerWaalsContact O-N 3.13Å; K192-K194 PolarHBondContact O-N 3.46Å |
| 193 | I | 91.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.205 | 31% | 0.306 | C | S | . | . | trans | -83.5 | 114.5 | -179.9 | -61.1 | -63 | 0 | 0 | 0 | 109.8 | R190 D195 P198 A201 L202 H205 | R190-I193 PolarHBondContact O-N 3.34Å; R190-I193 VanDerWaalsContact O-N 3.15Å; I193-D195 HydrophobicContact CG2-CB 3.96Å; I193-P198 HydrophobicContact CG2-CB 4.41Å; I193-A201 HydrophobicContact CG2-CB 3.77Å; I193-L202 HydrophobicContact CG1-CB 4.24Å; I193-L202 HydrophobicContact CG1-CD1 4.06Å; I193-H205 HydrophobicContact CD1-CB 4.27Å | ||
| 194 | K | 88.5 | Confident | 93.5 | Very high | 207 Ų | 207 | 58.3 Ų | 58.3 | 90% | 0.9 | 32% | 0.322 | S | S | * | . | trans | -113.7 | 73.3 | 173.8 | -63.6 | -176.5 | -178.1 | -178.8 | 0 | 109.3 | K192 | K192-K194 PolarHBondContact O-N 3.46Š| ||
| 195 | D | 92.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | trans | -123.9 | 157.5 | -178.4 | -163.9 | -82.4 | 0 | 0 | 0 | 110.6 | I193 S197 P198 A201 | I193-D195 HydrophobicContact CG2-CB 3.96Å; D195-S197 PolarHBondContact O-N 2.99Å; D195-S197 PolarHBondContact OD1-N 3.44Å; D195-P198 WeakPolarHBondContact O-CD 3.17Å; D195-P198 WeakPolarHBondContact O-CG 3.29Å; D195-A201 HydrophobicContact CB-CB 3.64Å | ||
| 196 | S | 88.6 | Confident | 93.6 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 83% | 0.832 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -66.6 | -22.1 | 172 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 197 | S | 91.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -127.4 | 72.9 | 176 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | D195 N199 T200 A201 | D195-S197 PolarHBondContact O-N 2.99Å; D195-S197 PolarHBondContact OD1-N 3.44Å; S197-N199 VanDerWaalsContact C-N 3.28Å; S197-N199 PolarHBondContact O-N 3.07Å; S197-N199 VanDerWaalsContact O-N 3.15Å; S197-T200 PolarHBondContact O-N 2.95Å; S197-T200 VanDerWaalsContact O-N 3.17Å; S197-A201 PolarHBondContact O-N 3.48Å |
| 198 | P | 94.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 67.5 Ų | 67.5 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.8 | -39.3 | -170.5 | -26.6 | 33.7 | 0 | 0 | 0 | 114.2 | I193 D195 L202 | I193-P198 HydrophobicContact CG2-CB 4.41Å; D195-P198 WeakPolarHBondContact O-CD 3.17Å; D195-P198 WeakPolarHBondContact O-CG 3.29Å; P198-L202 WeakPolarHBondContact O-CB 3.07Å; P198-L202 PolarHBondContact O-N 2.77Å |
| 199 | N | 96.7 | Very high | 93.7 | Very high | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | -179.3 | -65.7 | -18.5 | 0 | 0 | 0 | 111.8 | R190 S197 L202 I203 L229 V241 F243 | R190-N199 PolarHBondContact NH1-OD1 3.45Å; S197-N199 VanDerWaalsContact C-N 3.28Å; S197-N199 PolarHBondContact O-N 3.07Å; S197-N199 VanDerWaalsContact O-N 3.15Å; N199-L202 PolarHBondContact O-N 3.21Å; N199-I203 PolarHBondContact O-N 3.41Å; N199-L229 HydrophobicContact CB-CD1 3.75Å; N199-L229 HydrophobicContact CB-CD2 4.33Å; N199-V241 PolarHBondContact ND2-O 2.99Å; N199-F243 HydrophobicContact CB-CB 4.3Å; N199-F243 PolarHBondContact OD1-N 2.81Å |
| 200 | T | 95 | Very high | 93.8 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 179.8 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | S197 L202 I203 E204 | S197-T200 PolarHBondContact O-N 2.95Å; S197-T200 VanDerWaalsContact O-N 3.17Å; T200-L202 VanDerWaalsContact C-N 3.29Å; T200-L202 PolarHBondContact O-N 3.47Å; T200-I203 PolarHBondContact O-N 2.97Å; T200-E204 PolarHBondContact O-N 3.36Å |
| 201 | A | 96.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 74.6 Ų | 74.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I193 D195 S197 E204 H205 | I193-A201 HydrophobicContact CG2-CB 3.77Å; D195-A201 HydrophobicContact CB-CB 3.64Å; S197-A201 PolarHBondContact O-N 3.48Å; A201-E204 PolarHBondContact O-N 3.05Å; A201-H205 WeakPolarHBondContact O-CB 3.42Å; A201-H205 PolarHBondContact O-N 2.81Å |
| 202 | L | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 177.1 | -178.9 | 56.4 | 0 | 0 | 0 | 112.4 | S189 R190 I193 P198 N199 T200 E204 H205 L206 F243 P245 | S189-L202 VanDerWaalsContact OG-CD1 3.27Å; S189-L202 WeakPolarHBondContact OG-CD1 3.46Å; R190-L202 HydrophobicContact CB-CD2 3.9Å; R190-L202 HydrophobicContact CG-CD2 4.23Å; I193-L202 HydrophobicContact CG1-CB 4.24Å; I193-L202 HydrophobicContact CG1-CD1 4.06Å; P198-L202 WeakPolarHBondContact O-CB 3.07Å; P198-L202 PolarHBondContact O-N 2.77Å; N199-L202 PolarHBondContact O-N 3.21Å; T200-L202 VanDerWaalsContact C-N 3.29Å; T200-L202 PolarHBondContact O-N 3.47Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 2.75Å; L202-H205 PolarHBondContact O-N 3.28Å; L202-L206 HydrophobicContact CD1-CD1 4.31Å; L202-L206 HydrophobicContact CD1-CG 4.23Å; L202-L206 HydrophobicContact CG-CD1 4.41Å; L202-L206 WeakPolarHBondContact O-CG 3.47Å; L202-L206 PolarHBondContact O-N 3.02Å; L202-F243 HydrophobicContact CB-CD1 4.17Å; L202-F243 HydrophobicContact CB-CE1 4.41Å; L202-F243 HydrophobicContact CD2-CD1 3.55Å; L202-F243 HydrophobicContact CD2-CE1 3.76Å; L202-F243 HydrophobicContact CD2-CG 4.24Å; L202-F243 HydrophobicContact CG-CD1 3.76Å; L202-F243 HydrophobicContact CG-CE1 3.67Å; L202-P245 HydrophobicContact CD2-CG 3.85Å |
| 203 | I | 96.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 174.2 | -73.9 | -178.5 | 0 | 0 | 0 | 110.5 | N199 T200 H205 L206 R207 L222 L225 L229 F243 | N199-I203 PolarHBondContact O-N 3.41Å; T200-I203 PolarHBondContact O-N 2.97Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.25Å; I203-L206 PolarHBondContact O-N 3.12Å; I203-R207 VanDerWaalsContact O-CB 3.25Å; I203-R207 WeakPolarHBondContact O-CB 3.42Å; I203-R207 PolarHBondContact O-N 3.41Å; I203-L222 HydrophobicContact CG2-CD2 4.48Å; I203-L225 HydrophobicContact CD1-CB 4.02Å; I203-L229 HydrophobicContact CD1-CD1 3.5Å; I203-L229 VanDerWaalsContact CD1-CD1 3.5Å; I203-F243 HydrophobicContact CG1-CD1 3.87Å; I203-F243 HydrophobicContact CG1-CE1 3.9Å |
| 204 | E | 95.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 179.2 | -75.2 | -59 | 111 | 0 | 0 | 112.2 | T200 A201 L202 L206 R207 L208 | T200-E204 PolarHBondContact O-N 3.36Å; A201-E204 PolarHBondContact O-N 3.05Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 2.75Å; E204-L206 PolarHBondContact O-N 3.47Å; E204-R207 PolarHBondContact O-N 2.91Å; E204-R207 IonicContact OE1-CZ 2.78Å; E204-R207 IonicContact OE1-NE 3.86Å; E204-R207 PolarHBondContact OE1-NE 2.96Å; E204-R207 IonicContact OE1-NH2 3.58Å; E204-R207 IonicContact OE2-CZ 3.49Å; E204-R207 IonicContact OE2-NE 2.72Å; E204-R207 PolarHBondContact OE2-NE 3.04Å; E204-R207 IonicContact OE2-NH2 3.61Å; E204-R207 PolarHBondContact OE2-NH2 3.11Å; E204-L208 WeakPolarHBondContact O-CB 3.36Å; E204-L208 VanDerWaalsContact O-CG 3.28Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 3.25Å |
| 205 | H | 95.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.6 | 177.3 | 57.2 | 0 | 0 | 0 | 112 | I193 A201 L202 I203 D209 | I193-H205 HydrophobicContact CD1-CB 4.27Å; A201-H205 WeakPolarHBondContact O-CB 3.42Å; A201-H205 PolarHBondContact O-N 2.81Å; L202-H205 PolarHBondContact O-N 3.28Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.25Å; H205-D209 PolarHBondContact O-N 2.64Å |
| 206 | L | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.1 | -32.4 | 178.1 | -64.2 | 177.9 | 0 | 0 | 0 | 112.5 | L132 Y186 L202 I203 E204 D209 L212 L222 F243 | L132-L206 HydrophobicContact CD2-CD1 4.36Å; Y186-L206 HydrophobicContact CD1-CD2 3.82Å; L202-L206 HydrophobicContact CD1-CD1 4.31Å; L202-L206 HydrophobicContact CD1-CG 4.23Å; L202-L206 HydrophobicContact CG-CD1 4.41Å; L202-L206 WeakPolarHBondContact O-CG 3.47Å; L202-L206 PolarHBondContact O-N 3.02Å; I203-L206 PolarHBondContact O-N 3.12Å; E204-L206 PolarHBondContact O-N 3.47Å; L206-D209 PolarHBondContact O-N 2.77Å; L206-L212 HydrophobicContact CB-CD1 4.16Å; L206-L212 HydrophobicContact CD2-CD1 3.94Å; L206-L222 HydrophobicContact CB-CD1 4.03Å; L206-L222 HydrophobicContact CB-CD2 3.92Å; L206-L222 HydrophobicContact CD1-CD2 4.12Å; L206-F243 HydrophobicContact CD1-CE1 3.79Å; L206-F243 HydrophobicContact CD1-CZ 3.75Å |
| 207 | R | 94.9 | Very high | 95 | Very high | 105 Ų | 105 | 61 Ų | 61 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.3 | -167.9 | -179 | 72.3 | 78.5 | 2.6 | 112.4 | I203 E204 D209 L222 | I203-R207 VanDerWaalsContact O-CB 3.25Å; I203-R207 WeakPolarHBondContact O-CB 3.42Å; I203-R207 PolarHBondContact O-N 3.41Å; E204-R207 PolarHBondContact O-N 2.91Å; E204-R207 IonicContact OE1-CZ 2.78Å; E204-R207 IonicContact OE1-NE 3.86Å; E204-R207 PolarHBondContact OE1-NE 2.96Å; E204-R207 IonicContact OE1-NH2 3.58Å; E204-R207 IonicContact OE2-CZ 3.49Å; E204-R207 IonicContact OE2-NE 2.72Å; E204-R207 PolarHBondContact OE2-NE 3.04Å; E204-R207 IonicContact OE2-NH2 3.61Å; E204-R207 PolarHBondContact OE2-NH2 3.11Å; R207-D209 VanDerWaalsContact C-N 3.34Å; R207-L222 HydrophobicContact CB-CD1 4.28Å |
| 208 | L | 94.5 | Very high | 95.2 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -83.3 | -9.5 | 179.8 | -67.6 | 172.7 | 0 | 0 | 0 | 113.5 | E204 S210 | E204-L208 WeakPolarHBondContact O-CB 3.36Å; E204-L208 VanDerWaalsContact O-CG 3.28Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 3.25Å; L208-S210 PolarHBondContact O-N 2.86Å |
| 209 | D | 96 | Very high | 95.3 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | trans | -63.5 | 131.9 | 176.1 | 178.2 | -91.5 | 0 | 0 | 0 | 111.3 | Y186 H205 L206 R207 L211 L212 S213 | Y186-D209 HydrophobicContact CE1-CB 4.48Å; Y186-D209 PolarHBondContact OH-OD1 2.65Å; Y186-D209 PolarHBondContact OH-OD2 3.1Å; H205-D209 PolarHBondContact O-N 2.64Å; L206-D209 PolarHBondContact O-N 2.77Å; R207-D209 VanDerWaalsContact C-N 3.34Å; D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.67Å; D209-L211 WeakPolarHBondContact OD1-CA 3.49Å; D209-L211 WeakPolarHBondContact OD1-CB 3.5Å; D209-L211 PolarHBondContact OD1-N 2.96Å; D209-L212 HydrophobicContact CB-CB 4.22Å; D209-L212 HydrophobicContact CB-CD1 4.4Å; D209-L212 PolarHBondContact OD1-N 3.28Å; D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 3.47Å; D209-S213 PolarHBondContact O-OG 2.75Å | ||
| 210 | S | 94.3 | Very high | 95.3 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.9 | -174.1 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | L208 S213 | L208-S210 PolarHBondContact O-N 2.86Å; S210-S213 WeakPolarHBondContact CA-OG 3.5Å; S210-S213 PolarHBondContact O-OG 2.63Å |
| 211 | L | 94.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -45.4 | -179.6 | -62.9 | 173.7 | 0 | 0 | 0 | 110.6 | V139 D209 A214 | V139-L211 HydrophobicContact CB-CB 4.01Å; V139-L211 HydrophobicContact CG1-CB 4.21Å; V139-L211 HydrophobicContact CG2-CB 4.43Å; D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.67Å; D209-L211 WeakPolarHBondContact OD1-CA 3.49Å; D209-L211 WeakPolarHBondContact OD1-CB 3.5Å; D209-L211 PolarHBondContact OD1-N 2.96Å; L211-A214 PolarHBondContact O-N 3.43Å |
| 212 | L | 94.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -69.7 | -31.2 | 177.7 | -69.5 | 176.8 | 0 | 0 | 0 | 112.9 | I136 V139 Y186 L206 D209 A214 N215 A218 Q219 | I136-L212 HydrophobicContact CG1-CD1 4.47Å; I136-L212 HydrophobicContact CG1-CD2 4.01Å; V139-L212 HydrophobicContact CG1-CD2 4.33Å; V139-L212 HydrophobicContact CG2-CD2 3.73Å; V139-L212 HydrophobicContact CG2-CG 4.34Å; Y186-L212 HydrophobicContact CD1-CD1 3.67Å; Y186-L212 HydrophobicContact CD1-CG 4.49Å; Y186-L212 HydrophobicContact CE1-CD1 3.49Å; Y186-L212 VanDerWaalsContact CE1-CD1 3.49Å; Y186-L212 HydrophobicContact CE1-CG 3.95Å; L206-L212 HydrophobicContact CB-CD1 4.16Å; L206-L212 HydrophobicContact CD2-CD1 3.94Å; D209-L212 HydrophobicContact CB-CB 4.22Å; D209-L212 HydrophobicContact CB-CD1 4.4Å; D209-L212 PolarHBondContact OD1-N 3.28Å; L212-A214 PolarHBondContact O-N 3.02Å; L212-N215 PolarHBondContact O-N 2.62Å; L212-N215 VanDerWaalsContact O-N 3.16Å; L212-A218 HydrophobicContact CB-CB 4.43Å; L212-A218 HydrophobicContact CD2-CB 3.89Å; L212-Q219 PolarHBondContact O-NE2 2.79Å |
| 213 | S | 93.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.8 | 174.4 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | D209 S210 | D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 3.47Å; D209-S213 PolarHBondContact O-OG 2.75Å; S210-S213 WeakPolarHBondContact CA-OG 3.5Å; S210-S213 PolarHBondContact O-OG 2.63Å |
| 214 | A | 93.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -85.8 | -9.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L211 L212 | L211-A214 PolarHBondContact O-N 3.43Å; L212-A214 PolarHBondContact O-N 3.02Å |
| 215 | N | 95.5 | Very high | 95.7 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | trans | -97.7 | 113.9 | -179.9 | -174.1 | -69 | 0 | 0 | 0 | 111 | V139 L212 D217 A218 Q219 | V139-N215 HydrophobicContact CG1-CB 4.1Å; L212-N215 PolarHBondContact O-N 2.62Å; L212-N215 VanDerWaalsContact O-N 3.16Å; N215-D217 PolarHBondContact O-N 2.64Å; N215-D217 WeakPolarHBondContact OD1-CB 3.37Å; N215-D217 PolarHBondContact OD1-N 2.88Å; N215-A218 HydrophobicContact CB-CB 3.99Å; N215-A218 PolarHBondContact O-N 3.14Å; N215-A218 PolarHBondContact OD1-N 3.22Å; N215-Q219 PolarHBondContact O-N 2.86Å | ||
| 216 | E | 95.2 | Very high | 95.8 | Very high | 159 Ų | 159 | 58 Ų | 58 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | -175.2 | -174 | 177.5 | -179.5 | 0 | 0 | 113.2 | Q219 T220 | E216-Q219 PolarHBondContact O-N 2.93Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 2.84Å; E216-T220 PolarHBondContact O-OG1 3.41Å |
| 217 | D | 92.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 60.7 Ų | 60.7 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.2 | -88.3 | -25.6 | 0 | 0 | 0 | 111.6 | R131 N215 A221 | R131-D217 HydrophobicContact CB-CB 4.17Å; N215-D217 PolarHBondContact O-N 2.64Å; N215-D217 WeakPolarHBondContact OD1-CB 3.37Å; N215-D217 PolarHBondContact OD1-N 2.88Å; D217-A221 VanDerWaalsContact O-CB 3.28Å; D217-A221 WeakPolarHBondContact O-CB 3.37Å; D217-A221 PolarHBondContact O-N 2.77Å |
| 218 | A | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L132 L212 N215 T220 A221 L222 | L132-A218 HydrophobicContact CD1-CB 4.16Å; L212-A218 HydrophobicContact CB-CB 4.43Å; L212-A218 HydrophobicContact CD2-CB 3.89Å; N215-A218 HydrophobicContact CB-CB 3.99Å; N215-A218 PolarHBondContact O-N 3.14Å; N215-A218 PolarHBondContact OD1-N 3.22Å; A218-T220 PolarHBondContact O-N 3.47Å; A218-A221 PolarHBondContact O-N 3.48Å; A218-L222 WeakPolarHBondContact O-CB 3.12Å; A218-L222 VanDerWaalsContact O-CG 3.29Å; A218-L222 WeakPolarHBondContact O-CG 3.45Å; A218-L222 PolarHBondContact O-N 3.15Å |
| 219 | Q | 96.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.2 | -72.2 | -57 | -65.1 | 0 | 0 | 112.5 | L212 N215 E216 L222 K223 | L212-Q219 PolarHBondContact O-NE2 2.79Å; N215-Q219 PolarHBondContact O-N 2.86Å; E216-Q219 PolarHBondContact O-N 2.93Å; Q219-L222 PolarHBondContact O-N 3.27Å; Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 3.35Å |
| 220 | T | 96.6 | Very high | 96.4 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | E216 A218 L222 K223 E224 | E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 2.84Å; E216-T220 PolarHBondContact O-OG1 3.41Å; A218-T220 PolarHBondContact O-N 3.47Å; T220-L222 PolarHBondContact O-N 3.39Å; T220-K223 PolarHBondContact O-N 3.13Å; T220-E224 WeakPolarHBondContact O-CG 3.33Å; T220-E224 PolarHBondContact O-N 2.98Å |
| 221 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H129 R131 L132 D217 A218 K223 E224 L225 | H129-A221 HydrophobicContact CB-CB 3.95Å; H129-A221 VanDerWaalsContact ND1-CB 3.28Å; H129-A221 WeakPolarHBondContact ND1-CB 3.23Å; R131-A221 HydrophobicContact CB-CB 4.14Å; L132-A221 HydrophobicContact CB-CB 3.69Å; D217-A221 VanDerWaalsContact O-CB 3.28Å; D217-A221 WeakPolarHBondContact O-CB 3.37Å; D217-A221 PolarHBondContact O-N 2.77Å; A218-A221 PolarHBondContact O-N 3.48Å; A221-K223 VanDerWaalsContact C-N 3.35Å; A221-E224 PolarHBondContact O-N 3.25Å; A221-L225 WeakPolarHBondContact O-CB 3.42Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 2.77Å |
| 222 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 178 | -72.4 | 169.5 | 0 | 0 | 0 | 111.8 | L132 I203 L206 R207 A218 Q219 T220 S226 | L132-L222 HydrophobicContact CD1-CD2 4.21Å; L132-L222 HydrophobicContact CD1-CG 4.1Å; L132-L222 HydrophobicContact CD2-CD2 4.06Å; I203-L222 HydrophobicContact CG2-CD2 4.48Å; L206-L222 HydrophobicContact CB-CD1 4.03Å; L206-L222 HydrophobicContact CB-CD2 3.92Å; L206-L222 HydrophobicContact CD1-CD2 4.12Å; R207-L222 HydrophobicContact CB-CD1 4.28Å; A218-L222 WeakPolarHBondContact O-CB 3.12Å; A218-L222 VanDerWaalsContact O-CG 3.29Å; A218-L222 WeakPolarHBondContact O-CG 3.45Å; A218-L222 PolarHBondContact O-N 3.15Å; Q219-L222 PolarHBondContact O-N 3.27Å; T220-L222 PolarHBondContact O-N 3.39Å; L222-S226 WeakPolarHBondContact O-CB 3.46Å; L222-S226 PolarHBondContact O-N 2.79Å |
| 223 | K | 97.8 | Very high | 97 | Very high | 165 Ų | 165 | 52.5 Ų | 52.5 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 174.4 | -175.2 | -177.6 | 177.2 | -174.5 | 0 | 111.5 | Q219 T220 A221 S226 L227 | Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 3.35Å; T220-K223 PolarHBondContact O-N 3.13Å; A221-K223 VanDerWaalsContact C-N 3.35Å; K223-S226 PolarHBondContact O-N 3.37Å; K223-L227 PolarHBondContact O-N 3Å |
| 224 | E | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.9 | -70.7 | -178.2 | 160.4 | 0 | 0 | 111.4 | M101 H129 T220 A221 S226 L227 L228 | M101-E224 HydrophobicContact CG-CB 4.14Å; M101-E224 WeakPolarHBondContact CG-O 3.28Å; M101-E224 HydrophobicContact SD-CB 3.94Å; M101-E224 HydrophobicContact SD-CG 4.41Å; H129-E224 IonicContact CD2-OE2 3.84Å; H129-E224 IonicContact CE1-OE2 3.5Å; H129-E224 PolarHBondContact CE1-OE2 3.29Å; H129-E224 IonicContact NE2-OE2 3.58Å; H129-E224 PolarHBondContact NE2-OE2 3.28Å; T220-E224 WeakPolarHBondContact O-CG 3.33Å; T220-E224 PolarHBondContact O-N 2.98Å; A221-E224 PolarHBondContact O-N 3.25Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 2.74Å; E224-L227 PolarHBondContact O-N 3.08Å; E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 PolarHBondContact O-N 3.27Å |
| 225 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 174.2 | -75.6 | 168.1 | 0 | 0 | 0 | 112.1 | V127 H129 L132 I203 A221 L227 L228 L229 F243 | V127-L225 HydrophobicContact CG2-CD2 4.42Å; H129-L225 HydrophobicContact CB-CD1 3.93Å; H129-L225 HydrophobicContact CB-CD2 4.39Å; H129-L225 HydrophobicContact CB-CG 4.11Å; L132-L225 HydrophobicContact CD2-CD1 3.92Å; I203-L225 HydrophobicContact CD1-CB 4.02Å; A221-L225 WeakPolarHBondContact O-CB 3.42Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 2.77Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 2.88Å; L225-L228 HydrophobicContact CD2-CD2 4.4Å; L225-L228 WeakPolarHBondContact O-CB 3.32Å; L225-L228 PolarHBondContact O-N 3Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 2.85Å; L225-F243 HydrophobicContact CD1-CD2 4.18Å; L225-F243 HydrophobicContact CD1-CE2 3.69Å; L225-F243 HydrophobicContact CD1-CZ 4Å |
| 226 | S | 98.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 55 Ų | 55 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 112 | L222 K223 E224 T230 | L222-S226 WeakPolarHBondContact O-CB 3.46Å; L222-S226 PolarHBondContact O-N 2.79Å; K223-S226 PolarHBondContact O-N 3.37Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 2.74Å; S226-T230 PolarHBondContact O-N 3.07Å; S226-T230 PolarHBondContact O-OG1 3.38Å |
| 227 | L | 98.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | 177.7 | -171.2 | 62.6 | 0 | 0 | 0 | 111.2 | C100 M101 K223 E224 L225 L229 T230 Y231 | C100-L227 HydrophobicContact CB-CD2 4.23Å; M101-L227 HydrophobicContact CB-CD2 4.34Å; M101-L227 HydrophobicContact CB-CG 4.43Å; M101-L227 HydrophobicContact CG-CB 4.4Å; M101-L227 HydrophobicContact CG-CD2 4.36Å; K223-L227 PolarHBondContact O-N 3Å; E224-L227 PolarHBondContact O-N 3.08Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 2.88Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.43Å; L227-T230 WeakPolarHBondContact O-CB 3.29Å; L227-T230 PolarHBondContact O-N 3.2Å; L227-Y231 HydrophobicContact CD1-CE1 3.83Å; L227-Y231 HydrophobicContact CD1-CE2 4.17Å; L227-Y231 WeakPolarHBondContact CD1-OH 3.39Å; L227-Y231 HydrophobicContact CD2-CE2 4.05Å; L227-Y231 HydrophobicContact CG-CD2 4.36Å; L227-Y231 HydrophobicContact CG-CE1 4.24Å; L227-Y231 HydrophobicContact CG-CE2 3.66Å; L227-Y231 PolarHBondContact O-N 2.91Å |
| 228 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -47.5 | 175.3 | 179.9 | 67.4 | 0 | 0 | 0 | 111.8 | M101 D104 A105 L108 E224 L225 T230 Y231 C232 C257 | M101-L228 HydrophobicContact CB-CB 4.36Å; M101-L228 HydrophobicContact CE-CB 3.69Å; M101-L228 HydrophobicContact CE-CD1 3.79Å; M101-L228 HydrophobicContact CE-CD2 3.82Å; M101-L228 HydrophobicContact CE-CG 3.96Å; M101-L228 HydrophobicContact CG-CB 4.38Å; D104-L228 HydrophobicContact CB-CD1 4.03Å; A105-L228 HydrophobicContact CB-CD1 3.86Å; L108-L228 HydrophobicContact CD1-CD1 3.85Å; L108-L228 HydrophobicContact CD1-CD2 4Å; L108-L228 HydrophobicContact CD1-CG 4.08Å; E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 PolarHBondContact O-N 3.27Å; L225-L228 HydrophobicContact CD2-CD2 4.4Å; L225-L228 WeakPolarHBondContact O-CB 3.32Å; L225-L228 PolarHBondContact O-N 3Å; L228-T230 VanDerWaalsContact C-N 3.3Å; L228-T230 PolarHBondContact O-N 3.37Å; L228-Y231 PolarHBondContact O-N 3.27Å; L228-C232 PolarHBondContact O-N 3.25Å; L228-C232 PolarHBondContact O-SG 2.73Å; L228-C257 VanDerWaalsContact CD2-SG 3.54Å |
| 229 | L | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.5 | -70.1 | 173.3 | 0 | 0 | 0 | 112.1 | N199 I203 L225 L227 Y231 C232 D233 V241 | N199-L229 HydrophobicContact CB-CD1 3.75Å; N199-L229 HydrophobicContact CB-CD2 4.33Å; I203-L229 HydrophobicContact CD1-CD1 3.5Å; I203-L229 VanDerWaalsContact CD1-CD1 3.5Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 2.85Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.43Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 2.78Å; L229-C232 PolarHBondContact O-N 3.25Å; L229-D233 PolarHBondContact O-N 3.33Å; L229-V241 HydrophobicContact CD2-CG1 3.76Å |
| 230 | T | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | S226 L227 L228 D233 A234 | S226-T230 PolarHBondContact O-N 3.07Å; S226-T230 PolarHBondContact O-OG1 3.38Å; L227-T230 WeakPolarHBondContact O-CB 3.29Å; L227-T230 PolarHBondContact O-N 3.2Å; L228-T230 VanDerWaalsContact C-N 3.3Å; L228-T230 PolarHBondContact O-N 3.37Å; T230-D233 PolarHBondContact O-N 2.99Å; T230-A234 PolarHBondContact O-N 2.89Å; T230-A234 VanDerWaalsContact O-N 3.09Å |
| 231 | Y | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 50 Ų | 50 | 26% | 0.263 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.9 | -35.2 | 175.9 | -61.1 | -22 | 0 | 0 | 0 | 112.8 | C100 M101 I102 A105 L227 L228 L229 D233 A234 F235 | C100-Y231 WeakPolarHBondContact O-CE2 3.36Å; M101-Y231 HydrophobicContact CB-CD2 4.09Å; M101-Y231 HydrophobicContact CB-CE2 3.99Å; I102-Y231 HydrophobicContact CG1-CD2 4.47Å; I102-Y231 HydrophobicContact CG1-CE2 3.75Å; A105-Y231 HydrophobicContact CB-CD2 4.17Å; A105-Y231 HydrophobicContact CB-CG 4.39Å; L227-Y231 HydrophobicContact CD1-CE1 3.83Å; L227-Y231 HydrophobicContact CD1-CE2 4.17Å; L227-Y231 WeakPolarHBondContact CD1-OH 3.39Å; L227-Y231 HydrophobicContact CD2-CE2 4.05Å; L227-Y231 HydrophobicContact CG-CD2 4.36Å; L227-Y231 HydrophobicContact CG-CE1 4.24Å; L227-Y231 HydrophobicContact CG-CE2 3.66Å; L227-Y231 PolarHBondContact O-N 2.91Å; L228-Y231 PolarHBondContact O-N 3.27Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 2.78Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 PolarHBondContact O-N 3.43Å; Y231-A234 PolarHBondContact O-N 3.5Å; Y231-F235 WeakPolarHBondContact O-CD2 3.23Å; Y231-F235 PolarHBondContact O-N 3.24Å |
| 232 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 173.7 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | L228 L229 F235 G236 I237 A238 V241 | L228-C232 PolarHBondContact O-N 3.25Å; L228-C232 PolarHBondContact O-SG 2.73Å; L229-C232 PolarHBondContact O-N 3.25Å; C232-F235 PolarHBondContact O-N 2.85Å; C232-G236 PolarHBondContact O-N 3.47Å; C232-I237 HydrophobicContact CB-CD1 4.14Å; C232-I237 HydrophobicContact CB-CG1 3.89Å; C232-I237 WeakPolarHBondContact O-CG1 3.34Å; C232-I237 PolarHBondContact O-N 3.32Å; C232-A238 PolarHBondContact O-N 3.29Å; C232-V241 HydrophobicContact CB-CG2 4.21Å |
| 233 | D | 98 | Very high | 97.9 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 172.2 | -171.7 | 54.9 | 0 | 0 | 0 | 111.7 | L229 T230 Y231 F235 G236 A238 | L229-D233 PolarHBondContact O-N 3.33Å; T230-D233 PolarHBondContact O-N 2.99Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 PolarHBondContact O-N 3.43Å; D233-F235 PolarHBondContact O-N 3.41Å; D233-G236 WeakPolarHBondContact O-CA 2.81Å; D233-G236 PolarHBondContact O-N 3.07Å; D233-A238 HydrophobicContact CB-CB 4.03Å |
| 234 | A | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 69% | 0.686 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.6 | -31.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T230 Y231 G236 | T230-A234 PolarHBondContact O-N 2.89Å; T230-A234 VanDerWaalsContact O-N 3.09Å; Y231-A234 PolarHBondContact O-N 3.5Å; A234-G236 VanDerWaalsContact C-N 3.3Å |
| 235 | F | 98.5 | Very high | 97.6 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 39% | 0.386 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1.1 | 173.5 | -73.8 | -36.6 | 0 | 0 | 0 | 114.6 | A105 K109 Y231 C232 D233 I237 | A105-F235 HydrophobicContact CB-CD2 4.2Å; A105-F235 HydrophobicContact CB-CE2 3.88Å; K109-F235 HydrophobicContact CB-CB 4.42Å; K109-F235 HydrophobicContact CB-CD2 3.98Å; K109-F235 HydrophobicContact CB-CG 4.28Å; K109-F235 HydrophobicContact CD-CB 4.13Å; K109-F235 HydrophobicContact CG-CB 4.31Å; K109-F235 HydrophobicContact CG-CD2 4.43Å; K109-F235 HydrophobicContact CG-CG 4.27Å; K109-F235 PolarHBondContact NZ-O 2.96Å; Y231-F235 WeakPolarHBondContact O-CD2 3.23Å; Y231-F235 PolarHBondContact O-N 3.24Å; C232-F235 PolarHBondContact O-N 2.85Å; D233-F235 PolarHBondContact O-N 3.41Å; F235-I237 HydrophobicContact CB-CG1 4.21Å |
| 236 | G | 98.2 | Very high | 97.3 | Very high | 55 Ų | 55 | 43 Ų | 43 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 36.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C232 D233 A234 | C232-G236 PolarHBondContact O-N 3.47Å; D233-G236 WeakPolarHBondContact O-CA 2.81Å; D233-G236 PolarHBondContact O-N 3.07Å; A234-G236 VanDerWaalsContact C-N 3.3Å |
| 237 | I | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -125 | 12.1 | 178.4 | 61.6 | 157.2 | 0 | 0 | 0 | 112.9 | L108 K109 A112 C232 F235 D239 R240 V241 | L108-I237 HydrophobicContact CB-CD1 3.94Å; K109-I237 HydrophobicContact CB-CD1 4.32Å; K109-I237 HydrophobicContact CD-CG2 3.71Å; A112-I237 HydrophobicContact CB-CB 4.29Å; A112-I237 HydrophobicContact CB-CG2 3.73Å; C232-I237 HydrophobicContact CB-CD1 4.14Å; C232-I237 HydrophobicContact CB-CG1 3.89Å; C232-I237 WeakPolarHBondContact O-CG1 3.34Å; C232-I237 PolarHBondContact O-N 3.32Å; F235-I237 HydrophobicContact CB-CG1 4.21Å; I237-D239 PolarHBondContact O-N 3.48Å; I237-R240 WeakPolarHBondContact O-CB 3.15Å; I237-R240 PolarHBondContact O-N 2.92Å; I237-V241 HydrophobicContact CD1-CG2 4.09Å; I237-V241 HydrophobicContact CG1-CG2 4.47Å; I237-V241 WeakPolarHBondContact O-CG2 3.14Å; I237-V241 PolarHBondContact O-N 3.4Å | ||
| 238 | A | 97 | Very high | 96.7 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -60.3 | -31.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C232 D233 R240 V241 | C232-A238 PolarHBondContact O-N 3.29Å; D233-A238 HydrophobicContact CB-CB 4.03Å; A238-R240 PolarHBondContact O-N 3.45Å; A238-V241 PolarHBondContact O-N 3.45Å |
| 239 | D | 95.6 | Very high | 95.6 | Very high | 118 Ų | 118 | 41.3 Ų | 41.3 | 63% | 0.631 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -65.9 | -22.2 | 174.7 | 64.8 | -47.8 | 0 | 0 | 0 | 113.1 | I237 | I237-D239 PolarHBondContact O-N 3.48Š|
| 240 | R | 96.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -93.8 | -17.7 | 179.6 | -55.3 | -55.9 | -178.4 | 148.1 | -8.5 | 113.5 | D122 F123 E124 I125 I237 A238 | D122-R240 IonicContact OD1-CZ 2.72Å; D122-R240 IonicContact OD1-NH1 2.57Å; D122-R240 PolarHBondContact OD1-NH1 3.05Å; D122-R240 IonicContact OD1-NH2 3.6Å; F123-R240 HydrophobicContact CE2-CB 4.2Å; F123-R240 HydrophobicContact CE2-CG 4.21Å; F123-R240 HydrophobicContact CZ-CG 4.28Å; F123-R240 PolarHBondContact O-NH1 2.93Å; E124-R240 CarbonylContact C-O 3.59Å; I125-R240 PolarHBondContact N-O 3.16Å; I237-R240 WeakPolarHBondContact O-CB 3.15Å; I237-R240 PolarHBondContact O-N 2.92Å; A238-R240 PolarHBondContact O-N 3.45Å |
| 241 | V | 98 | Very high | 92.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.3 | -171.4 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | L108 I125 V127 N199 L229 C232 I237 A238 | L108-V241 HydrophobicContact CD1-CG2 4.49Å; I125-V241 WeakPolarHBondContact O-CA 3.43Å; V127-V241 HydrophobicContact CG1-CG1 3.75Å; V127-V241 HydrophobicContact CG2-CG1 3.87Å; N199-V241 PolarHBondContact ND2-O 2.99Å; L229-V241 HydrophobicContact CD2-CG1 3.76Å; C232-V241 HydrophobicContact CB-CG2 4.21Å; I237-V241 HydrophobicContact CD1-CG2 4.09Å; I237-V241 HydrophobicContact CG1-CG2 4.47Å; I237-V241 WeakPolarHBondContact O-CG2 3.14Å; I237-V241 PolarHBondContact O-N 3.4Å; A238-V241 PolarHBondContact O-N 3.45Å |
| 242 | V | 96.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.2 | -174.9 | 162.5 | 0 | 0 | 0 | 0 | 109.4 | E124 I125 K126 V127 E244 | E124-V242 HydrophobicContact CB-CG2 4.15Å; E124-V242 HydrophobicContact CG-CG2 4.03Å; I125-V242 PolarHBondContact O-N 3.45Å; K126-V242 CarbonylContact C-O 3.57Å; K126-V242 VanDerWaalsContact CA-O 3.23Å; K126-V242 WeakPolarHBondContact CA-O 3.35Å; K126-V242 HydrophobicContact CG-CB 4.47Å; K126-V242 HydrophobicContact CG-CG1 4.23Å; V127-V242 PolarHBondContact N-O 2.97Å; V242-E244 HydrophobicContact CG1-CB 4.45Å; V242-E244 PolarHBondContact O-N 2.93Å |
| 243 | F | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 113.6 | 171.2 | 173.2 | -145 | 0 | 0 | 0 | 110.4 | V127 L132 R190 N199 L202 I203 L206 L225 P245 | V127-F243 HydrophobicContact CG2-CB 4.32Å; V127-F243 WeakPolarHBondContact O-CD2 3.43Å; L132-F243 HydrophobicContact CD2-CE2 3.91Å; L132-F243 HydrophobicContact CD2-CZ 3.56Å; R190-F243 WeakPolarHBondContact CD-O 3.26Å; R190-F243 PolarHBondContact NH1-O 3.41Å; N199-F243 HydrophobicContact CB-CB 4.3Å; N199-F243 PolarHBondContact OD1-N 2.81Å; L202-F243 HydrophobicContact CB-CD1 4.17Å; L202-F243 HydrophobicContact CB-CE1 4.41Å; L202-F243 HydrophobicContact CD2-CD1 3.55Å; L202-F243 HydrophobicContact CD2-CE1 3.76Å; L202-F243 HydrophobicContact CD2-CG 4.24Å; L202-F243 HydrophobicContact CG-CD1 3.76Å; L202-F243 HydrophobicContact CG-CE1 3.67Å; I203-F243 HydrophobicContact CG1-CD1 3.87Å; I203-F243 HydrophobicContact CG1-CE1 3.9Å; L206-F243 HydrophobicContact CD1-CE1 3.79Å; L206-F243 HydrophobicContact CD1-CZ 3.75Å; L225-F243 HydrophobicContact CD1-CD2 4.18Å; L225-F243 HydrophobicContact CD1-CE2 3.69Å; L225-F243 HydrophobicContact CD1-CZ 4Å; F243-P245 HydrophobicContact CE1-CG 4.43Å; F243-P245 HydrophobicContact CE2-CG 4.19Å; F243-P245 HydrophobicContact CZ-CG 3.97Å |
| 244 | E | 95.5 | Very high | 90 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | trans | -122 | 99.1 | -175.7 | -175.6 | 58.3 | -91.8 | 0 | 0 | 111.3 | K126 V127 N128 R190 V242 S246 L247 | K126-E244 HydrophobicContact CB-CB 4.19Å; K126-E244 HydrophobicContact CD-CB 4.44Å; K126-E244 HydrophobicContact CD-CG 4.36Å; K126-E244 HydrophobicContact CG-CB 4.41Å; V127-E244 PolarHBondContact O-N 2.91Å; N128-E244 WeakPolarHBondContact CB-O 3.4Å; N128-E244 PolarHBondContact ND2-O 3.29Å; R190-E244 WeakPolarHBondContact CD-OE2 3.35Å; V242-E244 HydrophobicContact CG1-CB 4.45Å; V242-E244 PolarHBondContact O-N 2.93Å; E244-S246 WeakPolarHBondContact CG-OG 3.34Å; E244-S246 PolarHBondContact O-N 3.34Å; E244-S246 VanDerWaalsContact O-N 3.15Å; E244-S246 PolarHBondContact OE1-OG 2.89Å; E244-L247 HydrophobicContact CB-CB 4.22Å; E244-L247 HydrophobicContact CG-CB 4.25Å; E244-L247 WeakPolarHBondContact O-CB 3.45Å; E244-L247 PolarHBondContact O-N 3.04Å | ||
| 245 | P | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.8 | -178.9 | -26.2 | 35.7 | 0 | 0 | 0 | 114.5 | N128 L133 L187 L202 F243 L247 | N128-P245 PolarHBondContact ND2-O 3Å; L133-P245 WeakPolarHBondContact CD2-O 3.23Å; L187-P245 WeakPolarHBondContact CD2-O 3.44Å; L202-P245 HydrophobicContact CD2-CG 3.85Å; F243-P245 HydrophobicContact CE1-CG 4.43Å; F243-P245 HydrophobicContact CE2-CG 4.19Å; F243-P245 HydrophobicContact CZ-CG 3.97Å; P245-L247 VanDerWaalsContact C-N 3.32Å |
| 246 | S | 92.7 | Very high | 89.6 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9.9 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 114 | I154 E244 A248 | I154-S246 WeakPolarHBondContact CG2-O 3.45Å; E244-S246 WeakPolarHBondContact CG-OG 3.34Å; E244-S246 PolarHBondContact O-N 3.34Å; E244-S246 VanDerWaalsContact O-N 3.15Å; E244-S246 PolarHBondContact OE1-OG 2.89Å; S246-A248 PolarHBondContact O-N 2.77Å |
| 247 | L | 93.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | trans | -68.4 | 103.1 | 178.5 | 176.3 | 68.6 | 0 | 0 | 0 | 108.9 | K126 N128 E244 P245 R249 I258 E260 | K126-L247 HydrophobicContact CB-CD2 4.06Å; K126-L247 WeakPolarHBondContact O-CD2 3.43Å; N128-L247 HydrophobicContact CB-CB 3.93Å; N128-L247 HydrophobicContact CB-CD2 4.21Å; N128-L247 HydrophobicContact CB-CG 4.37Å; N128-L247 PolarHBondContact ND2-O 2.86Å; E244-L247 HydrophobicContact CB-CB 4.22Å; E244-L247 HydrophobicContact CG-CB 4.25Å; E244-L247 WeakPolarHBondContact O-CB 3.45Å; E244-L247 PolarHBondContact O-N 3.04Å; P245-L247 VanDerWaalsContact C-N 3.32Å; L247-R249 HydrophobicContact CD1-CB 3.96Å; L247-R249 HydrophobicContact CD1-CG 4.36Å; L247-I258 HydrophobicContact CD2-CG1 4.43Å; L247-I258 HydrophobicContact CG-CD1 4.39Å; L247-I258 VanDerWaalsContact O-CD1 3.23Å; L247-I258 WeakPolarHBondContact O-CD1 3.39Å; L247-E260 HydrophobicContact CD1-CB 3.9Å; L247-E260 HydrophobicContact CD2-CB 4.38Å | ||
| 248 | A | 89.3 | Confident | 89.4 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | trans | -113.7 | 12.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L133 C151 I154 S246 G250 | L133-A248 HydrophobicContact CD1-CB 3.97Å; L133-A248 HydrophobicContact CD2-CB 4.4Å; C151-A248 HydrophobicContact CB-CB 4.38Å; I154-A248 HydrophobicContact CB-CB 4.16Å; I154-A248 HydrophobicContact CG2-CB 3.8Å; S246-A248 PolarHBondContact O-N 2.77Å; A248-G250 PolarHBondContact O-N 2.54Å | ||
| 249 | R | 75.3 | Confident | 89.3 | Confident | 55 Ų | 55 | 27.3 Ų | 27.3 | 21% | 0.208 | 15% | 0.149 | C | C | . | . | trans | -62.3 | 133.3 | -179.3 | -89.4 | -163.2 | 165.3 | 113.3 | 27.7 | 111.7 | D155 D158 K159 L247 E260 | D155-R249 WeakPolarHBondContact OD1-CA 3.21Å; D155-R249 WeakPolarHBondContact OD1-CG 3.23Å; D155-R249 PolarHBondContact OD1-N 3.33Å; D155-R249 IonicContact OD2-NE 2.67Å; D155-R249 IonicContact OD2-NH2 2.7Å; D158-R249 IonicContact OD1-NH2 2.74Å; D158-R249 PolarHBondContact OD1-NH2 3.5Å; D158-R249 IonicContact OD2-CZ 2.77Å; D158-R249 IonicContact OD2-NH1 3.14Å; D158-R249 PolarHBondContact OD2-NH1 2.89Å; D158-R249 IonicContact OD2-NH2 3.52Å; D158-R249 PolarHBondContact OD2-NH2 3.34Å; K159-R249 VanDerWaalsContact CE-NH2 3.32Å; L247-R249 HydrophobicContact CD1-CB 3.96Å; L247-R249 HydrophobicContact CD1-CG 4.36Å; R249-E260 VanDerWaalsContact CD-CD 3.46Å; R249-E260 WeakPolarHBondContact CD-OE1 3.27Å; R249-E260 WeakPolarHBondContact CD-OE2 3.38Å; R249-E260 IonicContact CZ-OE1 2.79Å; R249-E260 IonicContact CZ-OE2 3.42Å; R249-E260 IonicContact NE-OE1 3.48Å; R249-E260 PolarHBondContact NE-OE1 3.02Å; R249-E260 IonicContact NH1-OE1 2.74Å; R249-E260 PolarHBondContact NH1-OE1 3.3Å; R249-E260 IonicContact NH1-OE2 3.7Å; R249-E260 PolarHBondContact NH1-OE2 2.91Å | ||
| 250 | G | 67.1 | Low | 89.3 | Confident | 50 Ų | 50 | 22.1 Ų | 22.1 | 52% | 0.515 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 154.9 | 163.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A248 Y254 | A248-G250 PolarHBondContact O-N 2.54Å; G250-Y254 VanDerWaalsContact CA-CE2 3.44Å |
| 251 | L | 61.2 | Low | 89.3 | Confident | 37 Ų | 37 | 19.4 Ų | 19.4 | 19% | 0.194 | 11% | 0.111 | C | C | . | . | trans | -71 | 150 | 169.3 | -67.6 | 160.3 | 0 | 0 | 0 | 108.1 | Y22 Y45 Y253 Y254 | Y22-L251 HydrophobicContact CD1-CD1 4.48Å; Y22-L251 HydrophobicContact CD1-CD2 4.27Å; Y45-L251 HydrophobicContact CE1-CD2 4.29Å; L251-Y253 HydrophobicContact CB-CD1 3.56Å; L251-Y253 HydrophobicContact CB-CD2 4.27Å; L251-Y253 HydrophobicContact CB-CE1 3.31Å; L251-Y253 HydrophobicContact CB-CE2 4.04Å; L251-Y253 HydrophobicContact CB-CG 4.08Å; L251-Y253 HydrophobicContact CD1-CD1 4.46Å; L251-Y253 HydrophobicContact CD1-CE1 3.41Å; L251-Y253 VanDerWaalsContact CD1-CE1 3.41Å; L251-Y253 VanDerWaalsContact CD1-CZ 3.46Å; L251-Y253 WeakPolarHBondContact CD1-OH 3.36Å; L251-Y253 HydrophobicContact CG-CE1 3.92Å; L251-Y253 PolarHBondContact O-N 3.01Å; L251-Y254 PolarHBondContact O-N 2.88Å | ||
| 252 | D | 74.4 | Confident | 89 | Confident | 73 Ų | 73 | 19.6 Ų | 19.6 | 39% | 0.39 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -10.2 | -174 | -69.2 | -28.6 | 0 | 0 | 0 | 115.1 | G23 K148 | G23-D252 WeakPolarHBondContact CA-OD2 3.14Å; G23-D252 PolarHBondContact N-OD2 3.37Å; K148-D252 VanDerWaalsContact CE-CG 3.42Å; K148-D252 WeakPolarHBondContact CE-OD1 3.47Å; K148-D252 WeakPolarHBondContact CE-OD2 3.48Å; K148-D252 IonicContact NZ-OD1 2.85Å; K148-D252 IonicContact NZ-OD2 3.06Å; K148-D252 PolarHBondContact NZ-OD2 3.2Å |
| 253 | Y | 81 | Confident | 88.7 | Confident | 20 Ų | 20 | 19.4 Ų | 19.4 | 8% | 0.078 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -9.5 | -177.2 | 57.2 | -123.8 | 0 | 0 | 0 | 115.3 | D46 T48 L251 Y288 L291 | D46-Y253 PolarHBondContact OD2-OH 3.31Å; T48-Y253 HydrophobicContact CG2-CE2 4.43Å; T48-Y253 PolarHBondContact OG1-OH 3.15Å; L251-Y253 HydrophobicContact CB-CD1 3.56Å; L251-Y253 HydrophobicContact CB-CD2 4.27Å; L251-Y253 HydrophobicContact CB-CE1 3.31Å; L251-Y253 HydrophobicContact CB-CE2 4.04Å; L251-Y253 HydrophobicContact CB-CG 4.08Å; L251-Y253 HydrophobicContact CD1-CD1 4.46Å; L251-Y253 HydrophobicContact CD1-CE1 3.41Å; L251-Y253 VanDerWaalsContact CD1-CE1 3.41Å; L251-Y253 VanDerWaalsContact CD1-CZ 3.46Å; L251-Y253 WeakPolarHBondContact CD1-OH 3.36Å; L251-Y253 HydrophobicContact CG-CE1 3.92Å; L251-Y253 PolarHBondContact O-N 3.01Å; Y253-Y288 HydrophobicContact CD2-CG 4.1Å; Y253-Y288 HydrophobicContact CE2-CD1 4.39Å; Y253-Y288 HydrophobicContact CE2-CG 4.27Å; Y253-Y288 WeakPolarHBondContact O-CA 3.21Å; Y253-Y288 VanDerWaalsContact O-CB 3.31Å; Y253-Y288 WeakPolarHBondContact O-CB 3.26Å; Y253-L291 HydrophobicContact CD1-CD1 4.27Å; Y253-L291 HydrophobicContact CD1-CD2 4.18Å; Y253-L291 HydrophobicContact CE1-CD2 4.39Å; Y253-L291 HydrophobicContact CG-CD1 4.42Å; Y253-L291 HydrophobicContact CG-CD2 4.26Å |
| 254 | Y | 91 | Very high | 88.3 | Confident | 35 Ų | 35 | 21.1 Ų | 21.1 | 14% | 0.137 | 12% | 0.122 | C | C | . | . | trans | -70.2 | 136.3 | 178.5 | -67.6 | -50.7 | 0 | 0 | 0 | 112 | R130 G250 L251 I258 G285 G286 R287 Y288 | R130-Y254 WeakPolarHBondContact CG-O 3.48Å; G250-Y254 VanDerWaalsContact CA-CE2 3.44Å; L251-Y254 PolarHBondContact O-N 2.88Å; Y254-I258 HydrophobicContact CD1-CG2 4.4Å; Y254-I258 HydrophobicContact CD2-CG2 3.58Å; Y254-I258 HydrophobicContact CE2-CG2 4.3Å; Y254-I258 HydrophobicContact CG-CG2 3.67Å; Y254-G285 WeakPolarHBondContact OH-CA 3.47Å; Y254-G286 VanDerWaalsContact CE1-CA 3.49Å; Y254-R287 CarbonylContact C-O 3.52Å; Y254-R287 VanDerWaalsContact CA-O 3.29Å; Y254-R287 WeakPolarHBondContact CA-O 3.36Å; Y254-R287 WeakPolarHBondContact CD1-O 3.42Å; Y254-Y288 HydrophobicContact CD1-CD1 4.28Å; Y254-Y288 HydrophobicContact CE1-CD1 4.07Å | ||
| 255 | T | 93 | Very high | 87.6 | Confident | 30 Ų | 30 | 22.3 Ų | 22.3 | 18% | 0.184 | 13% | 0.129 | C | C | . | . | trans | -121.9 | -15.6 | -173.8 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | R287 D289 Q290 | T255-R287 PolarHBondContact N-O 2.88Å; T255-R287 PolarHBondContact OG1-O 3.28Å; T255-D289 PolarHBondContact OG1-N 3.06Å; T255-D289 PolarHBondContact OG1-OD2 3.2Å; T255-Q290 HydrophobicContact CG2-CB 4.13Å; T255-Q290 HydrophobicContact CG2-CG 3.65Å | ||
| 256 | G | 95 | Very high | 86.5 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -136 | -134.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H129 R130 R287 | H129-G256 WeakPolarHBondContact NE2-CA 3.29Å; R130-G256 PolarHBondContact N-O 3.44Å; G256-R287 PolarHBondContact N-O 3.27Å |
| 257 | C | 95.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 140.8 | 176.4 | -172 | 0 | 0 | 0 | 0 | 111.1 | M101 N128 H129 L228 G286 R287 | M101-C257 HydrophobicContact CE-CB 3.82Å; N128-C257 CarbonylContact O-C 3.59Å; N128-C257 WeakPolarHBondContact O-CA 2.86Å; H129-C257 PolarHBondContact CD2-N 3.46Å; H129-C257 PolarHBondContact NE2-N 3.09Å; L228-C257 VanDerWaalsContact CD2-SG 3.54Å; C257-G286 CarbonylContact O-C 3.45Å; C257-G286 WeakPolarHBondContact O-CA 3.48Å; C257-R287 PolarHBondContact O-N 3.27Å |
| 258 | I | 96.4 | Very high | 84.3 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.2 | 173.5 | 54.8 | 175 | 0 | 0 | 0 | 108.5 | V127 N128 L133 L247 Y254 G285 | V127-I258 CarbonylContact C-O 3.45Å; V127-I258 WeakPolarHBondContact CA-O 3.42Å; N128-I258 HydrophobicContact CB-CD1 4.17Å; N128-I258 HydrophobicContact CB-CG1 3.92Å; N128-I258 PolarHBondContact N-O 3.08Å; N128-I258 PolarHBondContact O-N 3.44Å; L133-I258 HydrophobicContact CD1-CD1 4.09Å; L247-I258 HydrophobicContact CD2-CG1 4.43Å; L247-I258 HydrophobicContact CG-CD1 4.39Å; L247-I258 VanDerWaalsContact O-CD1 3.23Å; L247-I258 WeakPolarHBondContact O-CD1 3.39Å; Y254-I258 HydrophobicContact CD1-CG2 4.4Å; Y254-I258 HydrophobicContact CD2-CG2 3.58Å; Y254-I258 HydrophobicContact CE2-CG2 4.3Å; Y254-I258 HydrophobicContact CG-CG2 3.67Å; I258-G285 WeakPolarHBondContact CA-O 3.35Å |
| 259 | Y | 96.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 153.3 | -177 | 42.7 | -97.9 | 0 | 0 | 0 | 113.4 | C107 L108 K126 G284 G285 G286 V305 G306 L307 | C107-Y259 WeakPolarHBondContact CB-OH 3.48Å; L108-Y259 HydrophobicContact CD2-CD1 3.74Å; L108-Y259 HydrophobicContact CD2-CD2 3.89Å; L108-Y259 HydrophobicContact CD2-CE1 4.26Å; L108-Y259 HydrophobicContact CD2-CE2 4.39Å; L108-Y259 HydrophobicContact CD2-CG 3.51Å; K126-Y259 CarbonylContact O-C 3.38Å; K126-Y259 WeakPolarHBondContact O-CA 3.28Å; K126-Y259 WeakPolarHBondContact O-CB 3.5Å; Y259-G284 CarbonylContact O-C 3.57Å; Y259-G284 VanDerWaalsContact O-CA 3.29Å; Y259-G284 WeakPolarHBondContact O-CA 3.16Å; Y259-G285 VanDerWaalsContact CE2-C 3.46Å; Y259-G285 PolarHBondContact N-O 3.36Å; Y259-G285 PolarHBondContact O-N 3.4Å; Y259-G286 VanDerWaalsContact CZ-N 3.35Å; Y259-V305 HydrophobicContact CE1-CG2 4.34Å; Y259-G306 VanDerWaalsContact OH-C 3.27Å; Y259-G306 PolarHBondContact OH-O 3.07Å; Y259-L307 HydrophobicContact CE2-CB 3.92Å |
| 260 | E | 94.9 | Very high | 82.8 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 128.6 | -178.6 | -179.9 | 170.7 | -133.7 | 0 | 0 | 110.5 | I125 K126 L247 R249 V262 S281 A283 | I125-E260 CarbonylContact C-O 3.54Å; I125-E260 WeakPolarHBondContact CA-O 3.31Å; K126-E260 PolarHBondContact N-O 3.2Å; K126-E260 PolarHBondContact O-N 3.19Å; L247-E260 HydrophobicContact CD1-CB 3.9Å; L247-E260 HydrophobicContact CD2-CB 4.38Å; R249-E260 VanDerWaalsContact CD-CD 3.46Å; R249-E260 WeakPolarHBondContact CD-OE1 3.27Å; R249-E260 WeakPolarHBondContact CD-OE2 3.38Å; R249-E260 IonicContact CZ-OE1 2.79Å; R249-E260 IonicContact CZ-OE2 3.42Å; R249-E260 IonicContact NE-OE1 3.48Å; R249-E260 PolarHBondContact NE-OE1 3.02Å; R249-E260 IonicContact NH1-OE1 2.74Å; R249-E260 PolarHBondContact NH1-OE1 3.3Å; R249-E260 IonicContact NH1-OE2 3.7Å; R249-E260 PolarHBondContact NH1-OE2 2.91Å; E260-V262 HydrophobicContact CG-CG1 4.06Å; E260-S281 VanDerWaalsContact CG-OG 3.28Å; E260-S281 WeakPolarHBondContact CG-OG 3.22Å; E260-S281 WeakPolarHBondContact OE1-CB 3.48Å; E260-S281 PolarHBondContact OE1-OG 3.13Å; E260-A283 CarbonylContact C-O 3.57Å; E260-A283 WeakPolarHBondContact CA-O 3.5Å |
| 261 | A | 95.1 | Very high | 82.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V111 L115 E124 I125 S281 V282 A283 | V111-A261 HydrophobicContact CG1-CB 3.85Å; L115-A261 HydrophobicContact CD1-CB 3.58Å; E124-A261 CarbonylContact O-C 3.48Å; E124-A261 VanDerWaalsContact O-CA 3.29Å; E124-A261 WeakPolarHBondContact O-CA 3.43Å; I125-A261 HydrophobicContact CG1-CB 4.16Å; A261-S281 CarbonylContact O-C 3.59Å; A261-S281 VanDerWaalsContact O-CA 3.31Å; A261-S281 WeakPolarHBondContact O-CA 3.24Å; A261-V282 HydrophobicContact CB-CG2 4.08Å; A261-V282 WeakPolarHBondContact O-CG2 3.38Å; A261-V282 PolarHBondContact O-N 2.99Å; A261-A283 HydrophobicContact CB-CB 3.86Å; A261-A283 PolarHBondContact N-O 2.86Å |
| 262 | V | 92.4 | Very high | 82.7 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.9 | -179.2 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | F123 E124 K126 E260 V279 | F123-V262 VanDerWaalsContact CA-O 3.26Å; F123-V262 WeakPolarHBondContact CA-O 3.19Å; F123-V262 WeakPolarHBondContact CB-O 3.39Å; E124-V262 HydrophobicContact CB-CG2 4.3Å; E124-V262 PolarHBondContact N-O 3.19Å; E124-V262 PolarHBondContact O-N 3.4Å; K126-V262 HydrophobicContact CD-CG2 4.36Å; K126-V262 HydrophobicContact CG-CG2 4.49Å; E260-V262 HydrophobicContact CG-CG1 4.06Å; V262-V279 HydrophobicContact CB-CG1 3.84Å; V262-V279 HydrophobicContact CG2-CG1 4.42Å |
| 263 | L | 90.8 | Very high | 81.8 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.1 | 177.2 | -59.3 | -178.6 | 0 | 0 | 0 | 110.7 | I120 D122 F123 I268 Q269 V279 V282 V317 | I120-L263 HydrophobicContact CD1-CD2 3.88Å; I120-L263 HydrophobicContact CG1-CD2 4.11Å; D122-L263 CarbonylContact O-C 3.54Å; D122-L263 WeakPolarHBondContact O-CA 3.38Å; F123-L263 HydrophobicContact CB-CD2 4.02Å; L263-I268 HydrophobicContact CB-CG2 4.48Å; L263-I268 HydrophobicContact CD1-CG2 3.68Å; L263-Q269 PolarHBondContact O-NE2 2.84Å; L263-V279 WeakPolarHBondContact O-CG1 3.21Å; L263-V282 HydrophobicContact CD1-CG1 3.82Å; L263-V282 HydrophobicContact CD2-CG1 4.14Å; L263-V282 HydrophobicContact CD2-CG2 3.92Å; L263-V282 HydrophobicContact CG-CG1 3.72Å; L263-V282 HydrophobicContact CG-CG2 4.17Å; L263-V317 HydrophobicContact CD1-CG1 4.34Å; L263-V317 HydrophobicContact CD1-CG2 3.79Å |
| 264 | T | 88.7 | Confident | 80.2 | Confident | 36 Ų | 36 | 40 Ų | 40 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | trans | -105 | -9.3 | -177.2 | 51.2 | 0 | 0 | 0 | 0 | 114 | D122 F123 E124 E266 | D122-T264 WeakPolarHBondContact CB-OG1 3.4Å; D122-T264 PolarHBondContact O-N 3.22Å; D122-T264 PolarHBondContact O-OG1 3.36Å; F123-T264 PolarHBondContact N-OG1 2.95Å; E124-T264 HydrophobicContact CB-CG2 4.1Å; E124-T264 HydrophobicContact CG-CG2 3.67Å; T264-E266 PolarHBondContact O-N 2.88Å | ||
| 265 | D | 80.4 | Confident | 78 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | trans | -63.3 | 121.4 | 178 | -173.1 | -70.2 | 0 | 0 | 0 | 112.1 | F267 I268 Q269 | D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.48Å; D265-F267 VanDerWaalsContact OD1-CB 3.31Å; D265-F267 WeakPolarHBondContact OD1-CB 3.34Å; D265-F267 PolarHBondContact OD1-N 3.45Å; D265-I268 HydrophobicContact CB-CB 4.2Å; D265-I268 HydrophobicContact CB-CD1 4.01Å; D265-I268 HydrophobicContact CB-CG1 4.14Å; D265-I268 PolarHBondContact O-N 2.93Å; D265-I268 PolarHBondContact OD1-N 3.42Å; D265-Q269 WeakPolarHBondContact O-CG 3.32Å; D265-Q269 PolarHBondContact O-N 3.42Å | ||
| 266 | E | 72.6 | Confident | 75.6 | Confident | 168 Ų | 168 | 48.6 Ų | 48.6 | 79% | 0.785 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.6 | -38 | -176.6 | -68.4 | -176 | 168.6 | 0 | 0 | 113.1 | T264 I268 Q269 S270 | T264-E266 PolarHBondContact O-N 2.88Å; E266-I268 VanDerWaalsContact C-N 3.34Å; E266-Q269 PolarHBondContact O-N 3.19Å; E266-S270 WeakPolarHBondContact O-CB 3.37Å; E266-S270 PolarHBondContact O-N 3.35Å; E266-S270 PolarHBondContact O-OG 2.85Å |
| 267 | F | 69.9 | Low | 73 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 179.9 | 168.9 | -101.7 | 0 | 0 | 0 | 109.8 | D265 Q269 S270 E271 K324 | D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.48Å; D265-F267 VanDerWaalsContact OD1-CB 3.31Å; D265-F267 WeakPolarHBondContact OD1-CB 3.34Å; D265-F267 PolarHBondContact OD1-N 3.45Å; F267-Q269 VanDerWaalsContact C-N 3.35Å; F267-S270 PolarHBondContact O-N 3.18Å; F267-S270 PolarHBondContact O-OG 3.23Å; F267-E271 HydrophobicContact CD2-CG 4.46Å; F267-E271 HydrophobicContact CE1-CG 4.39Å; F267-E271 HydrophobicContact CE2-CG 3.87Å; F267-E271 HydrophobicContact CZ-CG 3.81Å; F267-E271 PolarHBondContact O-N 3.35Å; F267-K324 HydrophobicContact CD1-CD 4.49Å; F267-K324 HydrophobicContact CE1-CD 3.76Å; F267-K324 HydrophobicContact CE2-CD 3.99Å; F267-K324 VanDerWaalsContact CG-NZ 3.33Å; F267-K324 HydrophobicContact CZ-CD 3.49Å; F267-K324 VanDerWaalsContact CZ-CD 3.49Å; F267-K324 HydrophobicContact CZ-CG 4.34Å |
| 268 | I | 69.4 | Low | 70.7 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 179.7 | -62.1 | 178.7 | 0 | 0 | 0 | 110.8 | I120 L263 D265 E266 E271 I272 V317 | I120-I268 VanDerWaalsContact C-CD1 3.49Å; I120-I268 WeakPolarHBondContact O-CD1 3.47Å; L263-I268 HydrophobicContact CB-CG2 4.48Å; L263-I268 HydrophobicContact CD1-CG2 3.68Å; D265-I268 HydrophobicContact CB-CB 4.2Å; D265-I268 HydrophobicContact CB-CD1 4.01Å; D265-I268 HydrophobicContact CB-CG1 4.14Å; D265-I268 PolarHBondContact O-N 2.93Å; D265-I268 PolarHBondContact OD1-N 3.42Å; E266-I268 VanDerWaalsContact C-N 3.34Å; I268-E271 PolarHBondContact O-N 2.92Å; I268-I272 HydrophobicContact CG2-CD1 3.41Å; I268-I272 VanDerWaalsContact CG2-CD1 3.41Å; I268-I272 HydrophobicContact CG2-CG1 4.27Å; I268-I272 WeakPolarHBondContact O-CB 3.47Å; I268-I272 WeakPolarHBondContact O-CG1 3.37Å; I268-I272 PolarHBondContact O-N 3.4Å; I268-I272 VanDerWaalsContact O-N 3.08Å; I268-V317 HydrophobicContact CD1-CG1 3.81Å; I268-V317 HydrophobicContact CG1-CG1 4.33Å; I268-V317 HydrophobicContact CG2-CG1 3.97Å; I268-V317 HydrophobicContact CG2-CG2 4.12Å |
| 269 | Q | 67.5 | Low | 68.6 | Low | 51 Ų | 51 | 54.4 Ų | 54.4 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 174 | -73.3 | -173.1 | 7.7 | 0 | 0 | 111.3 | L263 D265 E266 F267 E271 I272 N273 V279 | L263-Q269 PolarHBondContact O-NE2 2.84Å; D265-Q269 WeakPolarHBondContact O-CG 3.32Å; D265-Q269 PolarHBondContact O-N 3.42Å; E266-Q269 PolarHBondContact O-N 3.19Å; F267-Q269 VanDerWaalsContact C-N 3.35Å; Q269-E271 VanDerWaalsContact C-N 3.27Å; Q269-E271 PolarHBondContact O-N 3.48Å; Q269-I272 PolarHBondContact O-N 3.03Å; Q269-N273 WeakPolarHBondContact O-CB 3.46Å; Q269-N273 PolarHBondContact O-N 3Å; Q269-N273 PolarHBondContact O-ND2 2.98Å; Q269-N273 PolarHBondContact O-OD1 3.15Å; Q269-V279 HydrophobicContact CG-CG1 4.4Å; Q269-V279 HydrophobicContact CG-CG2 4.44Å |
| 270 | S | 66.1 | Low | 67.4 | Low | 71 Ų | 71 | 54.3 Ų | 54.3 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | -178.3 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | E266 F267 | E266-S270 WeakPolarHBondContact O-CB 3.37Å; E266-S270 PolarHBondContact O-N 3.35Å; E266-S270 PolarHBondContact O-OG 2.85Å; F267-S270 PolarHBondContact O-N 3.18Å; F267-S270 PolarHBondContact O-OG 3.23Å |
| 271 | E | 63.5 | Low | 66.9 | Low | 66 Ų | 66 | 55.3 Ų | 55.3 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.4 | -28.2 | 180 | -77.8 | -76.6 | 165.6 | 0 | 0 | 113.8 | F267 I268 Q269 K320 | F267-E271 HydrophobicContact CD2-CG 4.46Å; F267-E271 HydrophobicContact CE1-CG 4.39Å; F267-E271 HydrophobicContact CE2-CG 3.87Å; F267-E271 HydrophobicContact CZ-CG 3.81Å; F267-E271 PolarHBondContact O-N 3.35Å; I268-E271 PolarHBondContact O-N 2.92Å; Q269-E271 VanDerWaalsContact C-N 3.27Å; Q269-E271 PolarHBondContact O-N 3.48Å; E271-K320 HydrophobicContact CB-CD 4Å; E271-K320 PolarHBondContact O-NZ 3.33Å; E271-K320 IonicContact OE2-NZ 3.67Å; E271-K320 PolarHBondContact OE2-NZ 2.92Å |
| 272 | I | 61.8 | Low | 66.8 | Low | 34 Ų | 34 | 55.3 Ų | 55.3 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -89.3 | -24.9 | 178.7 | -59.8 | 171.3 | 0 | 0 | 0 | 110.9 | I268 Q269 E274 V317 | I268-I272 HydrophobicContact CG2-CD1 3.41Å; I268-I272 VanDerWaalsContact CG2-CD1 3.41Å; I268-I272 HydrophobicContact CG2-CG1 4.27Å; I268-I272 WeakPolarHBondContact O-CB 3.47Å; I268-I272 WeakPolarHBondContact O-CG1 3.37Å; I268-I272 PolarHBondContact O-N 3.4Å; I268-I272 VanDerWaalsContact O-N 3.08Å; Q269-I272 PolarHBondContact O-N 3.03Å; I272-E274 PolarHBondContact O-N 2.9Å; I272-V317 HydrophobicContact CD1-CG2 3.65Å |
| 273 | N | 55.7 | Low | 66.9 | Low | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | trans | -90.9 | 8.9 | -169.1 | -69.2 | -3.4 | 0 | 0 | 0 | 115.2 | Q269 E275 D276 G277 T278 | Q269-N273 WeakPolarHBondContact O-CB 3.46Å; Q269-N273 PolarHBondContact O-N 3Å; Q269-N273 PolarHBondContact O-ND2 2.98Å; Q269-N273 PolarHBondContact O-OD1 3.15Å; N273-E275 PolarHBondContact O-N 3.2Å; N273-D276 PolarHBondContact O-N 3.24Å; N273-G277 PolarHBondContact ND2-O 3.35Å; N273-G277 PolarHBondContact O-N 3.17Å; N273-T278 PolarHBondContact OD1-N 3.47Å; N273-T278 PolarHBondContact OD1-O 2.94Å | ||
| 274 | E | 47.8 | Very low | 67 | Low | 155 Ų | 155 | 56.2 Ų | 56.2 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -14.3 | -167.7 | -76.3 | -168.2 | 150.9 | 0 | 0 | 116.1 | I272 | I272-E274 PolarHBondContact O-N 2.9Š|
| 275 | E | 45.6 | Very low | 67.4 | Low | 145 Ų | 145 | 54.8 Ų | 54.8 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -21.1 | 176.9 | -74.3 | 179.5 | 163.5 | 0 | 0 | 116.8 | R81 N273 | R81-E275 IonicContact NH2-OE2 3.16Å; N273-E275 PolarHBondContact O-N 3.2Å |
| 276 | D | 41.3 | Very low | 68.1 | Low | 99 Ų | 99 | 52.2 Ų | 52.2 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 10.7 | -174.3 | -78.6 | -34.6 | 0 | 0 | 0 | 115.3 | R81 N273 T278 | R81-D276 IonicContact CZ-OD2 2.66Å; R81-D276 IonicContact NH1-OD2 2.63Å; R81-D276 PolarHBondContact NH1-OD2 3.44Å; R81-D276 IonicContact NH2-OD2 2.77Å; R81-D276 PolarHBondContact NH2-OD2 2.98Å; N273-D276 PolarHBondContact O-N 3.24Å; D276-T278 HydrophobicContact CB-CG2 4.16Å; D276-T278 WeakPolarHBondContact O-CG2 3.39Å; D276-T278 PolarHBondContact O-N 3.48Å; D276-T278 VanDerWaalsContact O-N 3.09Å |
| 277 | G | 40.1 | Very low | 69.3 | Low | 57 Ų | 57 | 45.9 Ų | 45.9 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | trans | 68.4 | 9.8 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | N273 | N273-G277 PolarHBondContact ND2-O 3.35Å; N273-G277 PolarHBondContact O-N 3.17Å | ||
| 278 | T | 48 | Very low | 70.6 | Confident | 27 Ų | 27 | 43 Ų | 43 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | trans | -92.3 | 113.2 | -166 | 58.4 | 0 | 0 | 0 | 0 | 115 | K159 N273 D276 G280 | K159-T278 HydrophobicContact CB-CG2 4.36Å; K159-T278 HydrophobicContact CD-CG2 4.42Å; K159-T278 HydrophobicContact CG-CG2 3.68Å; N273-T278 PolarHBondContact OD1-N 3.47Å; N273-T278 PolarHBondContact OD1-O 2.94Å; D276-T278 HydrophobicContact CB-CG2 4.16Å; D276-T278 WeakPolarHBondContact O-CG2 3.39Å; D276-T278 PolarHBondContact O-N 3.48Å; D276-T278 VanDerWaalsContact O-N 3.09Å; T278-G280 PolarHBondContact O-N 3.02Å | ||
| 279 | V | 53.7 | Low | 71.8 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | trans | -54.4 | 109.5 | 164.5 | -167 | 0 | 0 | 0 | 0 | 110.2 | V262 L263 Q269 S281 | V262-V279 HydrophobicContact CB-CG1 3.84Å; V262-V279 HydrophobicContact CG2-CG1 4.42Å; L263-V279 WeakPolarHBondContact O-CG1 3.21Å; Q269-V279 HydrophobicContact CG-CG1 4.4Å; Q269-V279 HydrophobicContact CG-CG2 4.44Å; V279-S281 PolarHBondContact O-N 3.42Å | ||
| 280 | G | 69.8 | Low | 73 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | trans | -79.1 | 112.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | T278 V282 | T278-G280 PolarHBondContact O-N 3.02Å; G280-V282 PolarHBondContact O-N 3.15Å | ||
| 281 | S | 85.8 | Confident | 74.2 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -42.3 | 127.1 | 163.9 | -169.2 | 0 | 0 | 0 | 0 | 113.5 | E260 A261 V279 A283 R313 | E260-S281 VanDerWaalsContact CG-OG 3.28Å; E260-S281 WeakPolarHBondContact CG-OG 3.22Å; E260-S281 WeakPolarHBondContact OE1-CB 3.48Å; E260-S281 PolarHBondContact OE1-OG 3.13Å; A261-S281 CarbonylContact O-C 3.59Å; A261-S281 VanDerWaalsContact O-CA 3.31Å; A261-S281 WeakPolarHBondContact O-CA 3.24Å; V279-S281 PolarHBondContact O-N 3.42Å; S281-A283 PolarHBondContact OG-O 3.36Å; S281-R313 VanDerWaalsContact O-CD 3.31Å; S281-R313 WeakPolarHBondContact O-CD 3.23Å; S281-R313 PolarHBondContact O-NH1 3.4Å |
| 282 | V | 91.6 | Very high | 75.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -12.5 | 178.7 | -71.2 | 0 | 0 | 0 | 0 | 113.3 | L115 A261 L263 G280 G310 R313 I314 | L115-V282 HydrophobicContact CD1-CG2 3.9Å; L115-V282 HydrophobicContact CD2-CB 4.38Å; L115-V282 HydrophobicContact CD2-CG2 3.88Å; A261-V282 HydrophobicContact CB-CG2 4.08Å; A261-V282 WeakPolarHBondContact O-CG2 3.38Å; A261-V282 PolarHBondContact O-N 2.99Å; L263-V282 HydrophobicContact CD1-CG1 3.82Å; L263-V282 HydrophobicContact CD2-CG1 4.14Å; L263-V282 HydrophobicContact CD2-CG2 3.92Å; L263-V282 HydrophobicContact CG-CG1 3.72Å; L263-V282 HydrophobicContact CG-CG2 4.17Å; G280-V282 PolarHBondContact O-N 3.15Å; V282-G310 WeakPolarHBondContact O-CA 3.23Å; V282-G310 PolarHBondContact O-N 2.6Å; V282-R313 HydrophobicContact CG1-CG 4.09Å; V282-I314 HydrophobicContact CB-CG1 4.4Å; V282-I314 HydrophobicContact CG1-CG1 4.42Å |
| 283 | A | 94.6 | Very high | 77 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V111 E260 A261 S281 S308 I309 | V111-A283 HydrophobicContact CG1-CB 4.01Å; V111-A283 HydrophobicContact CG2-CB 4.37Å; E260-A283 CarbonylContact C-O 3.57Å; E260-A283 WeakPolarHBondContact CA-O 3.5Å; A261-A283 HydrophobicContact CB-CB 3.86Å; A261-A283 PolarHBondContact N-O 2.86Å; S281-A283 PolarHBondContact OG-O 3.36Å; A283-S308 CarbonylContact C-O 3.46Å; A283-S308 VanDerWaalsContact CA-O 3.23Å; A283-S308 WeakPolarHBondContact CA-O 3.5Å; A283-I309 HydrophobicContact CB-CD1 3.71Å |
| 284 | G | 93.8 | Very high | 78.6 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 161.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y259 L307 S308 | Y259-G284 CarbonylContact O-C 3.57Å; Y259-G284 VanDerWaalsContact O-CA 3.29Å; Y259-G284 WeakPolarHBondContact O-CA 3.16Å; G284-L307 CarbonylContact O-C 3.59Å; G284-L307 WeakPolarHBondContact O-CA 3.2Å; G284-S308 PolarHBondContact N-O 3.18Å; G284-S308 PolarHBondContact O-N 3.03Å |
| 285 | G | 95.7 | Very high | 80.6 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -171.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y254 I258 Y259 G306 | Y254-G285 WeakPolarHBondContact OH-CA 3.47Å; I258-G285 WeakPolarHBondContact CA-O 3.35Å; Y259-G285 VanDerWaalsContact CE2-C 3.46Å; Y259-G285 PolarHBondContact N-O 3.36Å; Y259-G285 PolarHBondContact O-N 3.4Å; G285-G306 CarbonylContact C-O 3.6Å; G285-G306 WeakPolarHBondContact CA-O 3.42Å |
| 286 | G | 97 | Very high | 82.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -178.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y254 C257 Y259 Y288 V305 G306 | Y254-G286 VanDerWaalsContact CE1-CA 3.49Å; C257-G286 CarbonylContact O-C 3.45Å; C257-G286 WeakPolarHBondContact O-CA 3.48Å; Y259-G286 VanDerWaalsContact CZ-N 3.35Å; G286-Y288 VanDerWaalsContact O-CD1 3.31Å; G286-Y288 WeakPolarHBondContact O-CD1 3.06Å; G286-V305 WeakPolarHBondContact O-CA 3.01Å; G286-G306 PolarHBondContact N-O 3.15Å; G286-G306 PolarHBondContact O-N 3.38Å; G286-G306 VanDerWaalsContact O-N 3.11Å |
| 287 | R | 97.5 | Very high | 84.3 | Confident | 36 Ų | 36 | 39 Ų | 39 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132 | 177.7 | 172.6 | 165.3 | -69.7 | -80.5 | 4.5 | 111.4 | D104 Y254 T255 G256 C257 D289 C304 V305 | D104-R287 IonicContact OD1-CZ 2.73Å; D104-R287 IonicContact OD1-NE 3.05Å; D104-R287 PolarHBondContact OD1-NE 3.46Å; D104-R287 IonicContact OD1-NH2 2.79Å; D104-R287 IonicContact OD2-CZ 3.1Å; D104-R287 IonicContact OD2-NE 3.25Å; D104-R287 PolarHBondContact OD2-NE 3.29Å; D104-R287 IonicContact OD2-NH2 2.64Å; D104-R287 PolarHBondContact OD2-NH2 3.46Å; Y254-R287 CarbonylContact C-O 3.52Å; Y254-R287 VanDerWaalsContact CA-O 3.29Å; Y254-R287 WeakPolarHBondContact CA-O 3.36Å; Y254-R287 WeakPolarHBondContact CD1-O 3.42Å; T255-R287 PolarHBondContact N-O 2.88Å; T255-R287 PolarHBondContact OG1-O 3.28Å; G256-R287 PolarHBondContact N-O 3.27Å; C257-R287 PolarHBondContact O-N 3.27Å; R287-D289 WeakPolarHBondContact CD-OD2 3.45Å; R287-D289 VanDerWaalsContact CG-OD1 3.32Å; R287-D289 WeakPolarHBondContact CG-OD1 3.32Å; R287-D289 WeakPolarHBondContact CG-OD2 3.49Å; R287-D289 IonicContact CZ-OD1 3.41Å; R287-D289 IonicContact NH1-OD1 3.9Å; R287-D289 PolarHBondContact NH1-OD1 2.94Å; R287-C304 CarbonylContact C-O 3.54Å; R287-C304 WeakPolarHBondContact CA-O 3.24Å; R287-V305 HydrophobicContact CB-CB 4.25Å; R287-V305 HydrophobicContact CB-CG2 4.28Å |
| 288 | Y | 95.9 | Very high | 86 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | trans | -140.7 | 65 | -172.3 | 55 | -87.7 | 0 | 0 | 0 | 112.4 | T48 D93 Y253 Y254 G286 Q290 L291 C304 | T48-Y288 HydrophobicContact CG2-CD1 4.49Å; T48-Y288 HydrophobicContact CG2-CD2 4.09Å; T48-Y288 HydrophobicContact CG2-CE1 4.02Å; T48-Y288 HydrophobicContact CG2-CE2 3.57Å; D93-Y288 WeakPolarHBondContact CB-OH 3.41Å; D93-Y288 PolarHBondContact OD1-OH 2.98Å; Y253-Y288 HydrophobicContact CD2-CG 4.1Å; Y253-Y288 HydrophobicContact CE2-CD1 4.39Å; Y253-Y288 HydrophobicContact CE2-CG 4.27Å; Y253-Y288 WeakPolarHBondContact O-CA 3.21Å; Y253-Y288 VanDerWaalsContact O-CB 3.31Å; Y253-Y288 WeakPolarHBondContact O-CB 3.26Å; Y254-Y288 HydrophobicContact CD1-CD1 4.28Å; Y254-Y288 HydrophobicContact CE1-CD1 4.07Å; G286-Y288 VanDerWaalsContact O-CD1 3.31Å; G286-Y288 WeakPolarHBondContact O-CD1 3.06Å; Y288-Q290 PolarHBondContact O-N 2.82Å; Y288-L291 HydrophobicContact CD2-CB 3.83Å; Y288-L291 HydrophobicContact CD2-CD2 3.87Å; Y288-L291 HydrophobicContact CE2-CD2 4.23Å; Y288-L291 PolarHBondContact O-N 2.9Å; Y288-C304 HydrophobicContact CD2-CB 3.7Å; Y288-C304 HydrophobicContact CE1-CB 4.11Å; Y288-C304 HydrophobicContact CE2-CB 3.21Å; Y288-C304 HydrophobicContact CG-CB 4.3Å; Y288-C304 VanDerWaalsContact CZ-CB 3.41Å; Y288-C304 PolarHBondContact N-O 3.25Å | ||
| 289 | D | 95 | Very high | 87 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.6 | -168.4 | -55.3 | -42.5 | 0 | 0 | 0 | 115 | T255 R287 P303 C304 | T255-D289 PolarHBondContact OG1-N 3.06Å; T255-D289 PolarHBondContact OG1-OD2 3.2Å; R287-D289 WeakPolarHBondContact CD-OD2 3.45Å; R287-D289 VanDerWaalsContact CG-OD1 3.32Å; R287-D289 WeakPolarHBondContact CG-OD1 3.32Å; R287-D289 WeakPolarHBondContact CG-OD2 3.49Å; R287-D289 IonicContact CZ-OD1 3.41Å; R287-D289 IonicContact NH1-OD1 3.9Å; R287-D289 PolarHBondContact NH1-OD1 2.94Å; D289-P303 HydrophobicContact CB-CB 4.34Å; D289-P303 VanDerWaalsContact OD1-CA 3.26Å; D289-P303 WeakPolarHBondContact OD1-CA 3.16Å; D289-P303 VanDerWaalsContact OD1-CB 3.28Å; D289-P303 WeakPolarHBondContact OD1-CB 3.47Å; D289-C304 PolarHBondContact OD1-N 2.94Å |
| 290 | Q | 92.4 | Very high | 88.1 | Confident | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -11 | -174.6 | -58.6 | -57.4 | -36.9 | 0 | 0 | 113.6 | T255 Y288 V292 N293 | T255-Q290 HydrophobicContact CG2-CB 4.13Å; T255-Q290 HydrophobicContact CG2-CG 3.65Å; Y288-Q290 PolarHBondContact O-N 2.82Å; Q290-V292 PolarHBondContact O-N 3.29Å; Q290-N293 VanDerWaalsContact O-CB 3.31Å; Q290-N293 WeakPolarHBondContact O-CB 3.42Å; Q290-N293 PolarHBondContact O-N 2.95Å; Q290-N293 PolarHBondContact OE1-ND2 3.07Å |
| 291 | L | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -40.6 | -171.4 | -171.9 | 60 | 0 | 0 | 0 | 112.6 | T48 V49 A52 Y253 Y288 N293 M294 F295 | T48-L291 HydrophobicContact CG2-CD2 3.82Å; V49-L291 HydrophobicContact CG2-CD1 4.35Å; V49-L291 HydrophobicContact CG2-CD2 4.24Å; A52-L291 HydrophobicContact CB-CB 4.37Å; A52-L291 HydrophobicContact CB-CD2 3.94Å; A52-L291 HydrophobicContact CB-CG 3.72Å; Y253-L291 HydrophobicContact CD1-CD1 4.27Å; Y253-L291 HydrophobicContact CD1-CD2 4.18Å; Y253-L291 HydrophobicContact CE1-CD2 4.39Å; Y253-L291 HydrophobicContact CG-CD1 4.42Å; Y253-L291 HydrophobicContact CG-CD2 4.26Å; Y288-L291 HydrophobicContact CD2-CB 3.83Å; Y288-L291 HydrophobicContact CD2-CD2 3.87Å; Y288-L291 HydrophobicContact CE2-CD2 4.23Å; Y288-L291 PolarHBondContact O-N 2.9Å; L291-N293 PolarHBondContact O-N 2.81Å; L291-M294 HydrophobicContact CD1-SD 4.02Å; L291-M294 WeakPolarHBondContact O-CB 3.39Å; L291-M294 PolarHBondContact O-N 3.15Å; L291-F295 WeakPolarHBondContact O-CD2 3.33Å |
| 292 | V | 93.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.1 | -32.9 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | A52 L55 A56 Q290 M294 F295 L296 V302 | A52-V292 HydrophobicContact CB-CG2 4.08Å; L55-V292 HydrophobicContact CB-CG1 4.09Å; L55-V292 HydrophobicContact CD1-CG2 3.7Å; A56-V292 HydrophobicContact CB-CG1 4.28Å; Q290-V292 PolarHBondContact O-N 3.29Å; V292-M294 PolarHBondContact O-N 3.05Å; V292-F295 PolarHBondContact O-N 3.06Å; V292-L296 HydrophobicContact CG1-CD1 4.35Å; V292-L296 HydrophobicContact CG1-CG 4.45Å; V292-L296 PolarHBondContact O-N 3.46Å; V292-V302 HydrophobicContact CB-CB 4.2Å; V292-V302 HydrophobicContact CG1-CB 4.1Å; V292-V302 HydrophobicContact CG1-CG2 4.12Å; V292-V302 HydrophobicContact CG2-CB 4.13Å |
| 293 | N | 90.9 | Very high | 89.5 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63.2 | -29.7 | -177.2 | -54.8 | -3.6 | 0 | 0 | 0 | 111.1 | Q290 L291 F295 L296 G301 | Q290-N293 VanDerWaalsContact O-CB 3.31Å; Q290-N293 WeakPolarHBondContact O-CB 3.42Å; Q290-N293 PolarHBondContact O-N 2.95Å; Q290-N293 PolarHBondContact OE1-ND2 3.07Å; L291-N293 PolarHBondContact O-N 2.81Å; N293-F295 PolarHBondContact O-N 3.07Å; N293-F295 VanDerWaalsContact O-N 3.16Å; N293-L296 PolarHBondContact O-N 2.91Å; N293-G301 WeakPolarHBondContact OD1-CA 3.26Å |
| 294 | M | 88.4 | Confident | 89.7 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 48% | 0.478 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.8 | -11.4 | 177.8 | -52.5 | -175.1 | 90.5 | 0 | 0 | 113.9 | K21 L291 V292 | K21-M294 HydrophobicContact CD-CB 4.46Å; K21-M294 HydrophobicContact CD-CE 3.69Å; K21-M294 HydrophobicContact CD-SD 3.52Å; K21-M294 VanDerWaalsContact CD-SD 3.52Å; L291-M294 HydrophobicContact CD1-SD 4.02Å; L291-M294 WeakPolarHBondContact O-CB 3.39Å; L291-M294 PolarHBondContact O-N 3.15Å; V292-M294 PolarHBondContact O-N 3.05Å |
| 295 | F | 89.5 | Confident | 89.9 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -111.4 | -6.9 | 178 | -63 | -72.2 | 0 | 0 | 0 | 113.3 | T17 K21 V49 A52 R53 A56 L291 V292 N293 | T17-F295 HydrophobicContact CG2-CE1 3.67Å; T17-F295 HydrophobicContact CG2-CZ 4.1Å; T17-F295 WeakPolarHBondContact O-CZ 3.31Å; K21-F295 HydrophobicContact CD-CZ 4.46Å; K21-F295 HydrophobicContact CG-CZ 4.49Å; V49-F295 HydrophobicContact CG1-CE2 4.21Å; V49-F295 HydrophobicContact CG1-CZ 3.7Å; A52-F295 HydrophobicContact CB-CD2 3.9Å; A52-F295 HydrophobicContact CB-CE2 3.82Å; R53-F295 HydrophobicContact CB-CD1 4.07Å; R53-F295 HydrophobicContact CB-CD2 4.36Å; R53-F295 HydrophobicContact CB-CE1 4.1Å; R53-F295 HydrophobicContact CB-CE2 4.37Å; R53-F295 HydrophobicContact CB-CG 4.21Å; R53-F295 HydrophobicContact CB-CZ 4.25Å; R53-F295 HydrophobicContact CG-CD1 4.2Å; R53-F295 HydrophobicContact CG-CE1 4.37Å; A56-F295 HydrophobicContact CB-CB 3.44Å; A56-F295 VanDerWaalsContact CB-CB 3.44Å; L291-F295 WeakPolarHBondContact O-CD2 3.33Å; V292-F295 PolarHBondContact O-N 3.06Å; N293-F295 PolarHBondContact O-N 3.07Å; N293-F295 VanDerWaalsContact O-N 3.16Å |
| 296 | L | 87.2 | Confident | 89.9 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | trans | -88.4 | 128.3 | 179.2 | -67.7 | 173.1 | 0 | 0 | 0 | 110.2 | A56 V292 N293 | A56-L296 HydrophobicContact CB-CD2 3.79Å; A56-L296 HydrophobicContact CB-CG 4.2Å; V292-L296 HydrophobicContact CG1-CD1 4.35Å; V292-L296 HydrophobicContact CG1-CG 4.45Å; V292-L296 PolarHBondContact O-N 3.46Å; N293-L296 PolarHBondContact O-N 2.91Å | ||
| 297 | Q | 78.5 | Confident | 89.9 | Confident | 198 Ų | 198 | 54.4 Ų | 54.4 | 93% | 0.925 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -73.6 | -37.2 | 170.3 | -67.2 | -177.5 | -3.3 | 0 | 0 | 111.8 | ||
| 298 | K | 74.8 | Confident | 89.9 | Confident | 196 Ų | 196 | 53.7 Ų | 53.7 | 85% | 0.852 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -153 | 141.1 | 175 | -67.5 | -174 | -179.8 | 178 | 0 | 107.8 | ||
| 299 | G | 69 | Low | 89.8 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 148.4 | 171.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 300 | R | 76.4 | Confident | 89.6 | Confident | 181 Ų | 181 | 53.9 Ų | 53.9 | 68% | 0.683 | 28% | 0.284 | S | S | * | . | trans | -81.8 | 140.4 | 169.7 | -166.8 | 174.8 | -173.3 | -152.6 | -7.8 | 108.4 | E97 | E97-R300 VanDerWaalsContact CD-NH2 3.31Å; E97-R300 IonicContact OE1-CZ 3.52Å; E97-R300 IonicContact OE1-NH1 3.59Å; E97-R300 IonicContact OE1-NH2 2.71Å; E97-R300 PolarHBondContact OE1-NH2 3.45Å; E97-R300 IonicContact OE2-CZ 3.17Å; E97-R300 IonicContact OE2-NH1 2.69Å; E97-R300 PolarHBondContact OE2-NH1 3.27Å; E97-R300 IonicContact OE2-NH2 3.2Å; E97-R300 PolarHBondContact OE2-NH2 3.37Å | ||
| 301 | G | 85 | Confident | 89.4 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | trans | -62.8 | 161 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N293 | N293-G301 WeakPolarHBondContact OD1-CA 3.26Š| ||
| 302 | V | 95.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -113.1 | 103.9 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | L55 T61 A95 V292 C304 | L55-V302 HydrophobicContact CD1-CG1 4.41Å; T61-V302 WeakPolarHBondContact O-CG1 3.17Å; A95-V302 HydrophobicContact CB-CG1 3.92Å; V292-V302 HydrophobicContact CB-CB 4.2Å; V292-V302 HydrophobicContact CG1-CB 4.1Å; V292-V302 HydrophobicContact CG1-CG2 4.12Å; V292-V302 HydrophobicContact CG2-CB 4.13Å; V302-C304 PolarHBondContact O-N 2.89Å; V302-C304 PolarHBondContact O-SG 2.81Å | ||
| 303 | P | 96.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | trans | -56.1 | 138.3 | 173.9 | -23.3 | 34 | 0 | 0 | 0 | 110.4 | A95 G96 D289 | A95-P303 WeakPolarHBondContact CA-O 3.39Å; G96-P303 PolarHBondContact N-O 2.85Å; D289-P303 HydrophobicContact CB-CB 4.34Å; D289-P303 VanDerWaalsContact OD1-CA 3.26Å; D289-P303 WeakPolarHBondContact OD1-CA 3.16Å; D289-P303 VanDerWaalsContact OD1-CB 3.28Å; D289-P303 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 304 | C | 98 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.3 | -176.1 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | I94 R287 Y288 D289 V302 | I94-C304 WeakPolarHBondContact O-CA 3.41Å; R287-C304 CarbonylContact C-O 3.54Å; R287-C304 WeakPolarHBondContact CA-O 3.24Å; Y288-C304 HydrophobicContact CD2-CB 3.7Å; Y288-C304 HydrophobicContact CE1-CB 4.11Å; Y288-C304 HydrophobicContact CE2-CB 3.21Å; Y288-C304 HydrophobicContact CG-CB 4.3Å; Y288-C304 VanDerWaalsContact CZ-CB 3.41Å; Y288-C304 PolarHBondContact N-O 3.25Å; D289-C304 PolarHBondContact OD1-N 2.94Å; V302-C304 PolarHBondContact O-N 2.89Å; V302-C304 PolarHBondContact O-SG 2.81Å |
| 305 | V | 98.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.8 | 167.8 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | D93 I94 P103 D104 Y259 G286 R287 | D93-V305 WeakPolarHBondContact CA-O 3.15Å; I94-V305 HydrophobicContact CB-CG1 4.26Å; I94-V305 PolarHBondContact N-O 3.21Å; I94-V305 PolarHBondContact O-N 3.47Å; P103-V305 HydrophobicContact CB-CG1 3.65Å; D104-V305 HydrophobicContact CB-CG2 4.32Å; Y259-V305 HydrophobicContact CE1-CG2 4.34Å; G286-V305 WeakPolarHBondContact O-CA 3.01Å; R287-V305 HydrophobicContact CB-CB 4.25Å; R287-V305 HydrophobicContact CB-CG2 4.28Å |
| 306 | G | 97.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 53 Ų | 53 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 170.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L92 D93 Y259 G285 G286 | L92-G306 CarbonylContact O-C 3.4Å; L92-G306 WeakPolarHBondContact O-CA 3.47Å; D93-G306 WeakPolarHBondContact OD1-CA 2.8Å; Y259-G306 VanDerWaalsContact OH-C 3.27Å; Y259-G306 PolarHBondContact OH-O 3.07Å; G285-G306 CarbonylContact C-O 3.6Å; G285-G306 WeakPolarHBondContact CA-O 3.42Å; G286-G306 PolarHBondContact N-O 3.15Å; G286-G306 PolarHBondContact O-N 3.38Å; G286-G306 VanDerWaalsContact O-N 3.11Å |
| 307 | L | 96.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.4 | -174.5 | 68.8 | 97.9 | 0 | 0 | 0 | 110.4 | D91 L92 C107 I110 V111 Y259 G284 I309 | D91-L307 CarbonylContact C-O 3.56Å; D91-L307 VanDerWaalsContact CA-O 3.26Å; D91-L307 WeakPolarHBondContact CA-O 3.5Å; L92-L307 HydrophobicContact CB-CD1 4.31Å; L92-L307 HydrophobicContact CB-CD2 4.29Å; L92-L307 HydrophobicContact CB-CG 4.06Å; L92-L307 HydrophobicContact CD2-CD2 4.06Å; L92-L307 PolarHBondContact N-O 2.96Å; L92-L307 PolarHBondContact O-N 2.88Å; C107-L307 HydrophobicContact CB-CD2 3.88Å; C107-L307 WeakPolarHBondContact O-CD2 3.29Å; I110-L307 HydrophobicContact CB-CD2 4.15Å; I110-L307 HydrophobicContact CG2-CD2 4.11Å; V111-L307 HydrophobicContact CG2-CB 4.15Å; V111-L307 HydrophobicContact CG2-CD1 4.06Å; V111-L307 HydrophobicContact CG2-CD2 4.02Å; V111-L307 HydrophobicContact CG2-CG 4.29Å; Y259-L307 HydrophobicContact CE2-CB 3.92Å; G284-L307 CarbonylContact O-C 3.59Å; G284-L307 WeakPolarHBondContact O-CA 3.2Å; L307-I309 HydrophobicContact CD1-CD1 3.75Å; L307-I309 HydrophobicContact CD1-CG1 3.94Å |
| 308 | S | 95.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.4 | 172.3 | -167 | 0 | 0 | 0 | 0 | 109.5 | Q89 C90 D91 A283 G284 | Q89-S308 PolarHBondContact NE2-OG 2.97Å; C90-S308 CarbonylContact O-C 3.55Å; C90-S308 WeakPolarHBondContact O-CA 3.28Å; D91-S308 WeakPolarHBondContact OD1-CB 3.36Å; D91-S308 PolarHBondContact OD1-OG 3.24Å; A283-S308 CarbonylContact C-O 3.46Å; A283-S308 VanDerWaalsContact CA-O 3.23Å; A283-S308 WeakPolarHBondContact CA-O 3.5Å; G284-S308 PolarHBondContact N-O 3.18Å; G284-S308 PolarHBondContact O-N 3.03Å |
| 309 | I | 95.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.6 | 174.9 | -55 | -59.4 | 0 | 0 | 0 | 109.7 | C90 V111 I114 A283 L307 I311 I314 | C90-I309 HydrophobicContact CB-CB 4.16Å; C90-I309 PolarHBondContact O-N 3.4Å; V111-I309 HydrophobicContact CG2-CD1 4.36Å; I114-I309 HydrophobicContact CD1-CD1 4.21Å; I114-I309 HydrophobicContact CD1-CG1 4.13Å; I114-I309 HydrophobicContact CG2-CD1 4.43Å; A283-I309 HydrophobicContact CB-CD1 3.71Å; L307-I309 HydrophobicContact CD1-CD1 3.75Å; L307-I309 HydrophobicContact CD1-CG1 3.94Å; I309-I311 VanDerWaalsContact C-N 3.3Å; I309-I311 HydrophobicContact CG2-CG1 4.45Å; I309-I311 PolarHBondContact O-N 3.15Å; I309-I314 HydrophobicContact CG2-CD1 3.31Å |
| 310 | G | 89.6 | Confident | 89.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | trans | -76.7 | 72.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V282 E312 R313 I314 | V282-G310 WeakPolarHBondContact O-CA 3.23Å; V282-G310 PolarHBondContact O-N 2.6Å; G310-E312 VanDerWaalsContact C-N 3.34Å; G310-E312 PolarHBondContact O-N 3.41Å; G310-R313 PolarHBondContact O-N 2.93Å; G310-I314 PolarHBondContact O-N 3.23Å | ||
| 311 | I | 89.5 | Confident | 89.9 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55 | -43.6 | -172.8 | -65.1 | 167.9 | 0 | 0 | 0 | 113 | I68 M88 C90 I309 R313 I314 F315 | I68-I311 HydrophobicContact CG2-CD1 4.45Å; M88-I311 HydrophobicContact CB-CD1 4.12Å; C90-I311 HydrophobicContact CB-CD1 3.39Å; C90-I311 HydrophobicContact CB-CG1 3.94Å; I309-I311 VanDerWaalsContact C-N 3.3Å; I309-I311 HydrophobicContact CG2-CG1 4.45Å; I309-I311 PolarHBondContact O-N 3.15Å; I311-R313 VanDerWaalsContact C-N 3.26Å; I311-R313 PolarHBondContact O-N 3.5Å; I311-I314 WeakPolarHBondContact O-CB 3.42Å; I311-I314 PolarHBondContact O-N 3Å; I311-I314 VanDerWaalsContact O-N 3.09Å; I311-F315 HydrophobicContact CG2-CD1 4.15Å; I311-F315 HydrophobicContact CG2-CD2 3.7Å; I311-F315 HydrophobicContact CG2-CE1 3.72Å; I311-F315 HydrophobicContact CG2-CE2 3.23Å; I311-F315 HydrophobicContact CG2-CG 4.15Å; I311-F315 HydrophobicContact CG2-CZ 3.24Å; I311-F315 PolarHBondContact O-N 2.86Å |
| 312 | E | 86.2 | Confident | 89.8 | Confident | 40 Ų | 40 | 36 Ų | 36 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -39 | -176.5 | -59.4 | -60.6 | 162.5 | 0 | 0 | 112.4 | Y84 F87 M88 G310 F315 T316 | Y84-E312 HydrophobicContact CD2-CG 4.14Å; Y84-E312 HydrophobicContact CE2-CB 4.34Å; Y84-E312 HydrophobicContact CE2-CG 4.33Å; F87-E312 HydrophobicContact CB-CG 3.63Å; M88-E312 PolarHBondContact N-OE1 3.31Å; M88-E312 VanDerWaalsContact N-OE1 3.09Å; G310-E312 VanDerWaalsContact C-N 3.34Å; G310-E312 PolarHBondContact O-N 3.41Å; E312-F315 PolarHBondContact O-N 2.59Å; E312-T316 PolarHBondContact O-N 3.33Å; E312-T316 VanDerWaalsContact O-N 3.1Å; E312-T316 PolarHBondContact O-OG1 2.91Å |
| 313 | R | 83.3 | Confident | 89.3 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 24% | 0.242 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 177.7 | -175.5 | 165.3 | -73.6 | 166.8 | -10.9 | 111.1 | S281 V282 G310 I311 T316 V317 | S281-R313 VanDerWaalsContact O-CD 3.31Å; S281-R313 WeakPolarHBondContact O-CD 3.23Å; S281-R313 PolarHBondContact O-NH1 3.4Å; V282-R313 HydrophobicContact CG1-CG 4.09Å; G310-R313 PolarHBondContact O-N 2.93Å; I311-R313 VanDerWaalsContact C-N 3.26Å; I311-R313 PolarHBondContact O-N 3.5Å; R313-T316 WeakPolarHBondContact O-CB 3.31Å; R313-T316 PolarHBondContact O-N 2.97Å; R313-V317 HydrophobicContact CG-CG2 4.46Å; R313-V317 WeakPolarHBondContact O-CG2 3.49Å; R313-V317 PolarHBondContact O-N 3.43Å |
| 314 | I | 88.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.9 | -69 | 168.9 | 0 | 0 | 0 | 110.6 | L115 L118 I120 V282 I309 G310 I311 T316 V317 M318 | L115-I314 HydrophobicContact CD2-CD1 4.26Å; L118-I314 HydrophobicContact CD1-CD1 3.87Å; L118-I314 HydrophobicContact CD1-CG2 3.83Å; L118-I314 HydrophobicContact CD2-CG2 4.42Å; I120-I314 HydrophobicContact CD1-CG1 4.02Å; I120-I314 HydrophobicContact CG2-CG2 4.47Å; V282-I314 HydrophobicContact CB-CG1 4.4Å; V282-I314 HydrophobicContact CG1-CG1 4.42Å; I309-I314 HydrophobicContact CG2-CD1 3.31Å; G310-I314 PolarHBondContact O-N 3.23Å; I311-I314 WeakPolarHBondContact O-CB 3.42Å; I311-I314 PolarHBondContact O-N 3Å; I311-I314 VanDerWaalsContact O-N 3.09Å; I314-T316 VanDerWaalsContact C-N 3.32Å; I314-T316 PolarHBondContact O-N 3.21Å; I314-V317 PolarHBondContact O-N 2.91Å; I314-M318 HydrophobicContact CG2-CG 4.27Å; I314-M318 HydrophobicContact CG2-SD 3.78Å; I314-M318 WeakPolarHBondContact O-CB 3.37Å; I314-M318 VanDerWaalsContact O-CG 3.29Å; I314-M318 WeakPolarHBondContact O-CG 3.46Å; I314-M318 PolarHBondContact O-N 3.42Å |
| 315 | F | 87.4 | Confident | 88 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 175.7 | -69.7 | -22.8 | 0 | 0 | 0 | 112.3 | I311 E312 V317 M318 E319 | I311-F315 HydrophobicContact CG2-CD1 4.15Å; I311-F315 HydrophobicContact CG2-CD2 3.7Å; I311-F315 HydrophobicContact CG2-CE1 3.72Å; I311-F315 HydrophobicContact CG2-CE2 3.23Å; I311-F315 HydrophobicContact CG2-CG 4.15Å; I311-F315 HydrophobicContact CG2-CZ 3.24Å; I311-F315 PolarHBondContact O-N 2.86Å; E312-F315 PolarHBondContact O-N 2.59Å; F315-V317 VanDerWaalsContact C-N 3.34Å; F315-V317 PolarHBondContact O-N 3.17Å; F315-M318 PolarHBondContact O-N 2.85Å; F315-E319 WeakPolarHBondContact O-CB 3.39Å; F315-E319 PolarHBondContact O-N 3.46Å |
| 316 | T | 83.8 | Confident | 87.4 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | E312 R313 I314 E319 K320 | E312-T316 PolarHBondContact O-N 3.33Å; E312-T316 VanDerWaalsContact O-N 3.1Å; E312-T316 PolarHBondContact O-OG1 2.91Å; R313-T316 WeakPolarHBondContact O-CB 3.31Å; R313-T316 PolarHBondContact O-N 2.97Å; I314-T316 VanDerWaalsContact C-N 3.32Å; I314-T316 PolarHBondContact O-N 3.21Å; T316-E319 PolarHBondContact O-N 3.33Å; T316-K320 WeakPolarHBondContact O-CG 3.28Å; T316-K320 PolarHBondContact O-N 3.47Å; T316-K320 VanDerWaalsContact O-N 3.09Å |
| 317 | V | 84.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | I120 L263 I268 I272 R313 I314 F315 K320 K321 | I120-V317 HydrophobicContact CB-CG1 3.95Å; I120-V317 HydrophobicContact CG2-CG1 4.13Å; L263-V317 HydrophobicContact CD1-CG1 4.34Å; L263-V317 HydrophobicContact CD1-CG2 3.79Å; I268-V317 HydrophobicContact CD1-CG1 3.81Å; I268-V317 HydrophobicContact CG1-CG1 4.33Å; I268-V317 HydrophobicContact CG2-CG1 3.97Å; I268-V317 HydrophobicContact CG2-CG2 4.12Å; I272-V317 HydrophobicContact CD1-CG2 3.65Å; R313-V317 HydrophobicContact CG-CG2 4.46Å; R313-V317 WeakPolarHBondContact O-CG2 3.49Å; R313-V317 PolarHBondContact O-N 3.43Å; I314-V317 PolarHBondContact O-N 2.91Å; F315-V317 VanDerWaalsContact C-N 3.34Å; F315-V317 PolarHBondContact O-N 3.17Å; V317-K320 PolarHBondContact O-N 3.01Å; V317-K321 WeakPolarHBondContact O-CB 3.43Å; V317-K321 PolarHBondContact O-N 3.48Å |
| 318 | M | 86.8 | Confident | 85.8 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 34% | 0.335 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -42 | -179.4 | -70 | 179.1 | 76.5 | 0 | 0 | 111.9 | L118 I120 I314 F315 K321 L322 | L118-M318 HydrophobicContact CD2-SD 4.23Å; I120-M318 HydrophobicContact CG2-CG 3.67Å; I314-M318 HydrophobicContact CG2-CG 4.27Å; I314-M318 HydrophobicContact CG2-SD 3.78Å; I314-M318 WeakPolarHBondContact O-CB 3.37Å; I314-M318 VanDerWaalsContact O-CG 3.29Å; I314-M318 WeakPolarHBondContact O-CG 3.46Å; I314-M318 PolarHBondContact O-N 3.42Å; F315-M318 PolarHBondContact O-N 2.85Å; M318-K321 PolarHBondContact O-N 3.04Å; M318-L322 WeakPolarHBondContact O-CG 3.47Å; M318-L322 PolarHBondContact O-N 3.17Å |
| 319 | E | 84.5 | Confident | 85.1 | Confident | 106 Ų | 106 | 79.3 Ų | 79.3 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 177.6 | -171.7 | 178.1 | -173.7 | 0 | 0 | 111 | F315 T316 K321 L322 Q323 | F315-E319 WeakPolarHBondContact O-CB 3.39Å; F315-E319 PolarHBondContact O-N 3.46Å; T316-E319 PolarHBondContact O-N 3.33Å; E319-K321 VanDerWaalsContact C-N 3.34Å; E319-K321 PolarHBondContact O-N 3.18Å; E319-L322 PolarHBondContact O-N 2.99Å; E319-Q323 VanDerWaalsContact O-CG 3.29Å; E319-Q323 WeakPolarHBondContact O-CG 3.45Å; E319-Q323 PolarHBondContact O-N 3.27Å; E319-Q323 PolarHBondContact OE1-NE2 3.29Å |
| 320 | K | 81.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 83.2 Ų | 83.2 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.5 | -75.1 | -165.7 | 169.2 | -150.7 | 0 | 112.5 | E271 T316 V317 L322 Q323 K324 | E271-K320 HydrophobicContact CB-CD 4Å; E271-K320 PolarHBondContact O-NZ 3.33Å; E271-K320 IonicContact OE2-NZ 3.67Å; E271-K320 PolarHBondContact OE2-NZ 2.92Å; T316-K320 WeakPolarHBondContact O-CG 3.28Å; T316-K320 PolarHBondContact O-N 3.47Å; T316-K320 VanDerWaalsContact O-N 3.09Å; V317-K320 PolarHBondContact O-N 3.01Å; K320-L322 PolarHBondContact O-N 3.49Å; K320-Q323 PolarHBondContact O-N 3.32Å; K320-K324 PolarHBondContact O-N 2.95Å |
| 321 | K | 83.2 | Confident | 84.8 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 30% | 0.3 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 175.5 | -172.4 | -177.4 | 178.9 | -172.5 | 0 | 111.4 | Q119 V317 M318 E319 Q323 K324 E325 | Q119-K321 PolarHBondContact O-NZ 3.42Å; V317-K321 WeakPolarHBondContact O-CB 3.43Å; V317-K321 PolarHBondContact O-N 3.48Å; M318-K321 PolarHBondContact O-N 3.04Å; E319-K321 VanDerWaalsContact C-N 3.34Å; E319-K321 PolarHBondContact O-N 3.18Å; K321-Q323 PolarHBondContact O-N 2.9Å; K321-K324 WeakPolarHBondContact O-CB 3.25Å; K321-K324 PolarHBondContact O-N 3.17Å; K321-E325 VanDerWaalsContact CE-OE1 3.32Å; K321-E325 WeakPolarHBondContact CE-OE1 3.31Å; K321-E325 WeakPolarHBondContact O-CG 3.38Å; K321-E325 PolarHBondContact O-N 3.09Å |
| 322 | L | 84.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 87.1 Ų | 87.1 | 27% | 0.272 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 178.1 | -71.2 | 168.7 | 0 | 0 | 0 | 112.6 | M318 E319 K320 E325 R326 K327 I329 | M318-L322 WeakPolarHBondContact O-CG 3.47Å; M318-L322 PolarHBondContact O-N 3.17Å; E319-L322 PolarHBondContact O-N 2.99Å; K320-L322 PolarHBondContact O-N 3.49Å; L322-E325 CarbonylContact O-C 3.53Å; L322-E325 PolarHBondContact O-N 3.47Å; L322-R326 PolarHBondContact O-N 3.47Å; L322-R326 VanDerWaalsContact O-N 3.11Å; L322-K327 HydrophobicContact CD2-CB 4.15Å; L322-K327 HydrophobicContact CD2-CD 4.24Å; L322-K327 PolarHBondContact O-N 3.3Å; L322-K327 VanDerWaalsContact O-N 3.12Å; L322-I329 HydrophobicContact CD1-CD1 3.64Å; L322-I329 HydrophobicContact CD1-CG1 3.89Å |
| 323 | Q | 83.7 | Confident | 85.4 | Confident | 121 Ų | 121 | 91.6 Ų | 91.6 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 174 | -72.6 | 175.7 | 10 | 0 | 0 | 111.4 | E319 K320 K321 R326 | E319-Q323 VanDerWaalsContact O-CG 3.29Å; E319-Q323 WeakPolarHBondContact O-CG 3.45Å; E319-Q323 PolarHBondContact O-N 3.27Å; E319-Q323 PolarHBondContact OE1-NE2 3.29Å; K320-Q323 PolarHBondContact O-N 3.32Å; K321-Q323 PolarHBondContact O-N 2.9Å; Q323-R326 PolarHBondContact O-N 2.83Å |
| 324 | K | 82.8 | Confident | 86 | Confident | 127 Ų | 127 | 89.1 Ų | 89.1 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 174.8 | -174.8 | -170 | -165.8 | 166.2 | 0 | 112.2 | F267 K320 K321 R326 | F267-K324 HydrophobicContact CD1-CD 4.49Å; F267-K324 HydrophobicContact CE1-CD 3.76Å; F267-K324 HydrophobicContact CE2-CD 3.99Å; F267-K324 VanDerWaalsContact CG-NZ 3.33Å; F267-K324 HydrophobicContact CZ-CD 3.49Å; F267-K324 VanDerWaalsContact CZ-CD 3.49Å; F267-K324 HydrophobicContact CZ-CG 4.34Å; K320-K324 PolarHBondContact O-N 2.95Å; K321-K324 WeakPolarHBondContact O-CB 3.25Å; K321-K324 PolarHBondContact O-N 3.17Å; K324-R326 PolarHBondContact O-N 3.26Å |
| 325 | E | 85.7 | Confident | 86.4 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.8 | 176.8 | -69 | 178.9 | -162.4 | 0 | 0 | 113 | K321 L322 K327 | K321-E325 VanDerWaalsContact CE-OE1 3.32Å; K321-E325 WeakPolarHBondContact CE-OE1 3.31Å; K321-E325 WeakPolarHBondContact O-CG 3.38Å; K321-E325 PolarHBondContact O-N 3.09Å; L322-E325 CarbonylContact O-C 3.53Å; L322-E325 PolarHBondContact O-N 3.47Å; E325-K327 HydrophobicContact CB-CD 4.25Å; E325-K327 HydrophobicContact CB-CG 4.06Å; E325-K327 PolarHBondContact O-N 3.43Å; E325-K327 VanDerWaalsContact O-N 3.09Å; E325-K327 WeakPolarHBondContact OE2-CD 3.48Å; E325-K327 VanDerWaalsContact OE2-CE 3.23Å; E325-K327 WeakPolarHBondContact OE2-CE 3.41Å; E325-K327 IonicContact OE2-NZ 3.14Å; E325-K327 PolarHBondContact OE2-NZ 3.44Å |
| 326 | R | 84.1 | Confident | 86.9 | Confident | 230 Ų | 230 | 84.7 Ų | 84.7 | 87% | 0.868 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 26.8 | -174.3 | -58.9 | -178.2 | 176 | -174.9 | -1.2 | 112.7 | L322 Q323 K324 | L322-R326 PolarHBondContact O-N 3.47Å; L322-R326 VanDerWaalsContact O-N 3.11Å; Q323-R326 PolarHBondContact O-N 2.83Å; K324-R326 PolarHBondContact O-N 3.26Å |
| 327 | K | 79.6 | Confident | 87.6 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 126.2 | 175.7 | -76.5 | -178.3 | -179.1 | 160.9 | 0 | 108.7 | L322 E325 | L322-K327 HydrophobicContact CD2-CB 4.15Å; L322-K327 HydrophobicContact CD2-CD 4.24Å; L322-K327 PolarHBondContact O-N 3.3Å; L322-K327 VanDerWaalsContact O-N 3.12Å; E325-K327 HydrophobicContact CB-CD 4.25Å; E325-K327 HydrophobicContact CB-CG 4.06Å; E325-K327 PolarHBondContact O-N 3.43Å; E325-K327 VanDerWaalsContact O-N 3.09Å; E325-K327 WeakPolarHBondContact OE2-CD 3.48Å; E325-K327 VanDerWaalsContact OE2-CE 3.23Å; E325-K327 WeakPolarHBondContact OE2-CE 3.41Å; E325-K327 IonicContact OE2-NZ 3.14Å; E325-K327 PolarHBondContact OE2-NZ 3.44Å |
| 328 | R | 81.1 | Confident | 88.3 | Confident | 178 Ų | 178 | 83 Ų | 83 | 67% | 0.672 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -80 | 128.3 | 172.6 | -74.5 | -174.3 | 171.3 | -169.5 | -3.9 | 109.6 | ||
| 329 | I | 81.8 | Confident | 88.8 | Confident | 117 Ų | 117 | 79.8 Ų | 79.8 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -79 | 126.6 | 173.2 | -57 | 175.1 | 0 | 0 | 0 | 108.4 | L322 S331 | L322-I329 HydrophobicContact CD1-CD1 3.64Å; L322-I329 HydrophobicContact CD1-CG1 3.89Å; I329-S331 PolarHBondContact O-N 3.44Å |
| 330 | R | 89.6 | Confident | 89.4 | Confident | 88 Ų | 88 | 74.8 Ų | 74.8 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 124 | 172.4 | -60.4 | -167.5 | 57.4 | -164.1 | -5.7 | 109.4 | N332 T334 C384 | R330-N332 VanDerWaalsContact C-N 3.27Å; R330-N332 PolarHBondContact NH2-OD1 3.37Å; R330-T334 PolarHBondContact NH2-O 2.92Å; R330-C384 HydrophobicContact CG-CB 3.83Å; R330-C384 VanDerWaalsContact CZ-O 3.28Å; R330-C384 PolarHBondContact NE-O 3.25Å |
| 331 | S | 88.1 | Confident | 90 | Very high | 112 Ų | 112 | 75 Ų | 75 | 78% | 0.783 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -88.2 | 8 | 173.7 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | I329 | I329-S331 PolarHBondContact O-N 3.44Š|
| 332 | N | 93.2 | Very high | 90.6 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | trans | -149.6 | 162.1 | -177.5 | 64.6 | 84.5 | 0 | 0 | 0 | 109.5 | R330 T334 R383 | R330-N332 VanDerWaalsContact C-N 3.27Å; R330-N332 PolarHBondContact NH2-OD1 3.37Å; N332-T334 WeakPolarHBondContact OD1-CB 3.38Å; N332-T334 PolarHBondContact OD1-N 2.97Å; N332-T334 VanDerWaalsContact OD1-N 3.15Å; N332-R383 PolarHBondContact ND2-O 2.91Å | ||
| 333 | E | 95.1 | Very high | 91 | Very high | 134 Ų | 134 | 80.2 Ų | 80.2 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | trans | -107.7 | 18.1 | 176.7 | -60.6 | -173.5 | -179.9 | 0 | 0 | 112.6 | D335 K362 | E333-D335 PolarHBondContact O-N 3.43Å; E333-K362 HydrophobicContact CB-CD 3.7Å; E333-K362 WeakPolarHBondContact O-CB 3.29Å; E333-K362 WeakPolarHBondContact O-CD 3.45Å; E333-K362 WeakPolarHBondContact OE2-CE 3.35Å; E333-K362 IonicContact OE2-NZ 3.39Å; E333-K362 PolarHBondContact OE2-NZ 3.36Å | ||
| 334 | T | 96.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 80.3 Ų | 80.3 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | trans | -65.1 | 121.4 | -173.2 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | R330 N332 V336 K362 E364 I385 P386 | R330-T334 PolarHBondContact NH2-O 2.92Å; N332-T334 WeakPolarHBondContact OD1-CB 3.38Å; N332-T334 PolarHBondContact OD1-N 2.97Å; N332-T334 VanDerWaalsContact OD1-N 3.15Å; T334-V336 WeakPolarHBondContact CG2-O 3.34Å; T334-K362 CarbonylContact C-O 3.57Å; T334-K362 WeakPolarHBondContact CG2-O 3.42Å; T334-E364 WeakPolarHBondContact CB-OE1 3.4Å; T334-E364 HydrophobicContact CG2-CB 3.97Å; T334-E364 HydrophobicContact CG2-CG 3.78Å; T334-E364 PolarHBondContact OG1-OE1 3.35Å; T334-I385 HydrophobicContact CG2-CD1 3.9Å; T334-I385 HydrophobicContact CG2-CG1 4.22Å; T334-I385 HydrophobicContact CG2-CG2 4.13Å; T334-P386 WeakPolarHBondContact O-CD 3.45Å | ||
| 335 | D | 96.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | trans | -80 | -44.9 | -177.5 | -63.2 | -45.1 | 0 | 0 | 0 | 111.1 | E333 K362 P386 L427 | E333-D335 PolarHBondContact O-N 3.43Å; D335-K362 HydrophobicContact CB-CB 4.44Å; D335-K362 PolarHBondContact N-O 2.88Å; D335-K362 WeakPolarHBondContact OD2-CB 3.29Å; D335-K362 PolarHBondContact OD2-N 2.88Å; D335-P386 WeakPolarHBondContact O-CD 3.11Å; D335-P386 WeakPolarHBondContact O-CG 3.16Å; D335-L427 HydrophobicContact CB-CD1 3.71Å; D335-L427 HydrophobicContact CB-CD2 3.86Å; D335-L427 HydrophobicContact CB-CG 4.46Å | ||
| 336 | V | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.3 | -171.6 | 104.7 | 0 | 0 | 0 | 0 | 110.9 | T334 L356 K362 T363 E364 L387 L389 L423 | T334-V336 WeakPolarHBondContact CG2-O 3.34Å; V336-L356 HydrophobicContact CG1-CD1 3.76Å; V336-L356 HydrophobicContact CG1-CD2 4.46Å; V336-K362 PolarHBondContact N-O 3.17Å; V336-T363 HydrophobicContact CG1-CG2 3.66Å; V336-T363 WeakPolarHBondContact CG1-OG1 3.47Å; V336-T363 WeakPolarHBondContact O-CA 3.42Å; V336-E364 PolarHBondContact O-N 2.9Å; V336-E364 VanDerWaalsContact O-N 3.16Å; V336-L387 CarbonylContact C-O 3.59Å; V336-L387 WeakPolarHBondContact CA-O 3.4Å; V336-L387 HydrophobicContact CG2-CB 3.6Å; V336-L389 HydrophobicContact CG1-CD1 4.13Å; V336-L389 HydrophobicContact CG2-CD1 4.02Å; V336-L389 HydrophobicContact CG2-CG 3.82Å; V336-L423 HydrophobicContact CG2-CD2 3.85Å |
| 337 | Y | 98.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 172 | -173 | -85.5 | 0 | 0 | 0 | 110.9 | A339 E364 S366 Q376 Y379 C380 I385 L387 A388 L389 | Y337-A339 HydrophobicContact CD1-CB 4.04Å; Y337-A339 HydrophobicContact CE1-CB 4.04Å; Y337-E364 WeakPolarHBondContact CA-O 3.48Å; Y337-E364 HydrophobicContact CD2-CB 3.99Å; Y337-E364 HydrophobicContact CE2-CB 4.37Å; Y337-S366 WeakPolarHBondContact OH-CA 3.47Å; Y337-S366 WeakPolarHBondContact OH-CB 3.31Å; Y337-S366 PolarHBondContact OH-N 2.85Å; Y337-Q376 HydrophobicContact CE1-CB 3.7Å; Y337-Q376 HydrophobicContact CE1-CG 3.93Å; Y337-Y379 AromaticContact CD2-CD1 3.8Å; Y337-Y379 HydrophobicContact CD2-CD1 3.8Å; Y337-Y379 AromaticContact CD2-CE1 3.86Å; Y337-Y379 HydrophobicContact CD2-CE1 3.86Å; Y337-Y379 AromaticContact CE2-CD1 3.49Å; Y337-Y379 HydrophobicContact CE2-CD1 3.49Å; Y337-Y379 VanDerWaalsContact CE2-CD1 3.49Å; Y337-Y379 AromaticContact CE2-CE1 3.61Å; Y337-Y379 HydrophobicContact CE2-CE1 3.61Å; Y337-Y379 HydrophobicContact CE2-CG 4.46Å; Y337-C380 WeakPolarHBondContact CB-SG 3.44Å; Y337-I385 HydrophobicContact CD2-CD1 4.11Å; Y337-L387 PolarHBondContact N-O 3.18Å; Y337-A388 CarbonylContact O-C 3.57Å; Y337-A388 VanDerWaalsContact O-CA 3.24Å; Y337-A388 WeakPolarHBondContact O-CA 3.48Å; Y337-L389 PolarHBondContact O-N 2.85Å |
| 338 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.7 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 110 | R349 L352 L356 T363 E364 M365 | V338-R349 HydrophobicContact CG1-CB 3.86Å; V338-R349 HydrophobicContact CG1-CG 3.88Å; V338-L352 HydrophobicContact CG1-CB 4.45Å; V338-L352 HydrophobicContact CG1-CD2 3.95Å; V338-L352 HydrophobicContact CG1-CG 4.49Å; V338-L352 HydrophobicContact CG2-CD2 4.08Å; V338-L352 HydrophobicContact CG2-CG 4.16Å; V338-L356 HydrophobicContact CG2-CD1 3.67Å; V338-T363 HydrophobicContact CG2-CG2 3.73Å; V338-E364 PolarHBondContact N-O 2.8Å; V338-M365 HydrophobicContact CB-CB 4.28Å; V338-M365 WeakPolarHBondContact O-CB 3.41Å |
| 339 | A | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 158.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y337 L373 Q376 L389 I390 I391 | Y337-A339 HydrophobicContact CD1-CB 4.04Å; Y337-A339 HydrophobicContact CE1-CB 4.04Å; A339-L373 HydrophobicContact CB-CD1 4.07Å; A339-Q376 VanDerWaalsContact CA-OE1 3.25Å; A339-Q376 HydrophobicContact CB-CB 4.16Å; A339-L389 PolarHBondContact N-O 3.47Å; A339-I390 HydrophobicContact CB-CG1 4.38Å; A339-I390 WeakPolarHBondContact O-CA 3.42Å; A339-I391 PolarHBondContact O-N 3.3Å |
| 340 | S | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 144.3 | 166.7 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | R349 Q376 I391 | S340-R349 PolarHBondContact OG-NH1 3.49Å; S340-Q376 PolarHBondContact O-NE2 2.57Å; S340-I391 WeakPolarHBondContact CA-O 3.48Å; S340-I391 VanDerWaalsContact CB-O 3.23Å; S340-I391 WeakPolarHBondContact CB-O 3.47Å |
| 341 | A | 94 | Very high | 96.3 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -88.8 | -31.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L373 | A341-L373 HydrophobicContact CB-CB 3.98Å; A341-L373 HydrophobicContact CB-CD2 4.11Å |
| 342 | Q | 94.7 | Very high | 96.8 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -83.5 | 160.8 | -176.9 | -64.9 | 170.7 | -19.8 | 0 | 0 | 111.7 | L345 | Q342-L345 HydrophobicContact CB-CD1 3.82Å; Q342-L345 HydrophobicContact CB-CG 4.48Å |
| 343 | K | 94.7 | Very high | 97 | Very high | 152 Ų | 152 | 48.3 Ų | 48.3 | 66% | 0.661 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 164.4 | 176.3 | -63 | -178.2 | -179.3 | 176.6 | 0 | 110.7 | L345 N370 | K343-L345 PolarHBondContact O-N 3.38Å; K343-L345 VanDerWaalsContact O-N 3.13Å; K343-N370 WeakPolarHBondContact CA-OD1 3.28Å; K343-N370 WeakPolarHBondContact CB-OD1 3.44Å; K343-N370 HydrophobicContact CG-CB 4.24Å |
| 344 | N | 95.3 | Very high | 97.2 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 66% | 0.658 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 13.1 | 172.8 | -56.7 | -30 | 0 | 0 | 0 | 116.3 | N370 | N344-N370 PolarHBondContact N-OD1 3.17Š|
| 345 | L | 97.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -92.6 | 13 | 178.4 | -66.7 | 179.1 | 0 | 0 | 0 | 114.6 | Q342 K343 L347 E348 R349 I391 E393 I396 | Q342-L345 HydrophobicContact CB-CD1 3.82Å; Q342-L345 HydrophobicContact CB-CG 4.48Å; K343-L345 PolarHBondContact O-N 3.38Å; K343-L345 VanDerWaalsContact O-N 3.13Å; L345-L347 PolarHBondContact O-N 2.96Å; L345-E348 HydrophobicContact CD2-CG 4.38Å; L345-E348 PolarHBondContact O-N 3.37Å; L345-R349 WeakPolarHBondContact O-CG 3.39Å; L345-R349 PolarHBondContact O-N 3.44Å; L345-I391 HydrophobicContact CD1-CG1 4.46Å; L345-E393 HydrophobicContact CD2-CG 4.32Å; L345-I396 HydrophobicContact CD2-CD1 3.69Å | ||
| 346 | L | 97.7 | Very high | 97.3 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | -178.8 | 176.7 | 63.5 | 0 | 0 | 0 | 112.4 | E348 R349 M350 M365 Q369 | L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 3.49Å; L346-R349 PolarHBondContact O-N 3.22Å; L346-M350 HydrophobicContact CD1-CE 4.1Å; L346-M350 HydrophobicContact CD1-CG 4.43Å; L346-M350 HydrophobicContact CD1-SD 4.43Å; L346-M350 HydrophobicContact CD2-CE 4.44Å; L346-M350 HydrophobicContact CG-CE 4.26Å; L346-M350 HydrophobicContact CG-SD 4.2Å; L346-M350 WeakPolarHBondContact O-CG 3.33Å; L346-M350 PolarHBondContact O-N 2.66Å; L346-M365 HydrophobicContact CD1-CE 4.47Å; L346-Q369 HydrophobicContact CB-CG 4.36Å; L346-Q369 HydrophobicContact CD2-CB 4.47Å; L346-Q369 HydrophobicContact CD2-CG 4.22Å |
| 347 | L | 97.6 | Very high | 97.3 | Very high | 121 Ų | 121 | 55 Ų | 55 | 63% | 0.634 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.6 | -37.2 | 179.9 | -68.1 | 176.9 | 0 | 0 | 0 | 111.8 | L345 M350 K351 | L345-L347 PolarHBondContact O-N 2.96Å; L347-M350 PolarHBondContact O-N 3.1Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.04Å |
| 348 | E | 97.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.9 | -38.3 | 178.2 | -66.3 | -59.1 | 133 | 0 | 0 | 111.9 | L345 L346 M350 K351 L352 I391 I396 | L345-E348 HydrophobicContact CD2-CG 4.38Å; L345-E348 PolarHBondContact O-N 3.37Å; L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 3.49Å; E348-M350 VanDerWaalsContact C-N 3.34Å; E348-M350 PolarHBondContact O-N 3.42Å; E348-K351 PolarHBondContact O-N 3Å; E348-K351 IonicContact OE1-NZ 3.32Å; E348-K351 PolarHBondContact OE1-NZ 3.37Å; E348-L352 PolarHBondContact O-N 3.39Å; E348-I391 HydrophobicContact CB-CD1 3.69Å; E348-I396 HydrophobicContact CB-CD1 4Å; E348-I396 HydrophobicContact CG-CD1 3.84Å |
| 349 | R | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 170.7 | -66.9 | -164.7 | -57.7 | -83.6 | 0.3 | 110.9 | V338 S340 L345 L346 K351 L352 C353 M365 K368 Q369 I391 | V338-R349 HydrophobicContact CG1-CB 3.86Å; V338-R349 HydrophobicContact CG1-CG 3.88Å; S340-R349 PolarHBondContact OG-NH1 3.49Å; L345-R349 WeakPolarHBondContact O-CG 3.39Å; L345-R349 PolarHBondContact O-N 3.44Å; L346-R349 PolarHBondContact O-N 3.22Å; R349-K351 PolarHBondContact O-N 3.16Å; R349-L352 PolarHBondContact O-N 2.94Å; R349-C353 PolarHBondContact O-N 3.24Å; R349-C353 PolarHBondContact O-SG 3.36Å; R349-M365 HydrophobicContact CB-SD 3.78Å; R349-K368 PolarHBondContact NH2-O 2.98Å; R349-Q369 PolarHBondContact NH1-O 3.11Å; R349-Q369 PolarHBondContact NH2-O 2.95Å; R349-I391 HydrophobicContact CB-CD1 4.32Å; R349-I391 HydrophobicContact CG-CD1 3.6Å; R349-I391 HydrophobicContact CG-CG1 4.14Å |
| 350 | M | 98.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 73.1 Ų | 73.1 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 177.1 | -75.7 | 175.9 | 160.9 | 0 | 0 | 112.8 | L346 L347 E348 L352 C353 R354 M365 | L346-M350 HydrophobicContact CD1-CE 4.1Å; L346-M350 HydrophobicContact CD1-CG 4.43Å; L346-M350 HydrophobicContact CD1-SD 4.43Å; L346-M350 HydrophobicContact CD2-CE 4.44Å; L346-M350 HydrophobicContact CG-CE 4.26Å; L346-M350 HydrophobicContact CG-SD 4.2Å; L346-M350 WeakPolarHBondContact O-CG 3.33Å; L346-M350 PolarHBondContact O-N 2.66Å; L347-M350 PolarHBondContact O-N 3.1Å; E348-M350 VanDerWaalsContact C-N 3.34Å; E348-M350 PolarHBondContact O-N 3.42Å; M350-L352 VanDerWaalsContact C-N 3.32Å; M350-L352 PolarHBondContact O-N 3.43Å; M350-C353 PolarHBondContact O-N 3.22Å; M350-R354 PolarHBondContact O-N 3Å; M350-M365 HydrophobicContact CE-CE 3.94Å; M350-M365 HydrophobicContact CG-CE 3.43Å; M350-M365 VanDerWaalsContact CG-CE 3.43Å; M350-M365 HydrophobicContact CG-SD 4.14Å |
| 351 | K | 97.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 73.5 Ų | 73.5 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.5 | -74.2 | 172.2 | -173.2 | 173.2 | 0 | 111.7 | L347 E348 R349 R354 A355 | L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.04Å; E348-K351 PolarHBondContact O-N 3Å; E348-K351 IonicContact OE1-NZ 3.32Å; E348-K351 PolarHBondContact OE1-NZ 3.37Å; R349-K351 PolarHBondContact O-N 3.16Å; K351-R354 PolarHBondContact O-N 3.34Å; K351-A355 PolarHBondContact O-N 3.46Å; K351-A355 VanDerWaalsContact O-N 3.1Å |
| 352 | L | 97.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 178.8 | -176.9 | 60.1 | 0 | 0 | 0 | 111.8 | V338 E348 R349 M350 R354 A355 L356 L389 I391 V401 L419 | V338-L352 HydrophobicContact CG1-CB 4.45Å; V338-L352 HydrophobicContact CG1-CD2 3.95Å; V338-L352 HydrophobicContact CG1-CG 4.49Å; V338-L352 HydrophobicContact CG2-CD2 4.08Å; V338-L352 HydrophobicContact CG2-CG 4.16Å; E348-L352 PolarHBondContact O-N 3.39Å; R349-L352 PolarHBondContact O-N 2.94Å; M350-L352 VanDerWaalsContact C-N 3.32Å; M350-L352 PolarHBondContact O-N 3.43Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 3.44Å; L352-A355 PolarHBondContact O-N 2.85Å; L352-L356 HydrophobicContact CD1-CD1 4.23Å; L352-L356 HydrophobicContact CD1-CG 4.4Å; L352-L356 HydrophobicContact CG-CD1 3.91Å; L352-L356 WeakPolarHBondContact O-CD1 3.4Å; L352-L356 VanDerWaalsContact O-CG 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.01Å; L352-L356 PolarHBondContact O-N 3.29Å; L352-L389 HydrophobicContact CD2-CB 4.26Å; L352-L389 HydrophobicContact CD2-CD1 4.24Å; L352-I391 HydrophobicContact CD2-CG2 3.77Å; L352-V401 HydrophobicContact CD2-CG1 4.2Å; L352-L419 HydrophobicContact CD1-CD2 3.78Å |
| 353 | C | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 173.1 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | R349 M350 A355 L356 W357 T363 | R349-C353 PolarHBondContact O-N 3.24Å; R349-C353 PolarHBondContact O-SG 3.36Å; M350-C353 PolarHBondContact O-N 3.22Å; C353-A355 PolarHBondContact O-N 3.47Å; C353-L356 PolarHBondContact O-N 2.86Å; C353-W357 HydrophobicContact CB-CH2 4.23Å; C353-W357 HydrophobicContact CB-CZ2 4.22Å; C353-W357 HydrophobicContact CB-CZ3 4.38Å; C353-W357 VanDerWaalsContact O-CG 3.27Å; C353-W357 PolarHBondContact O-N 3.1Å; C353-T363 HydrophobicContact CB-CG2 4.39Å |
| 354 | R | 98.4 | Very high | 97.7 | Very high | 152 Ų | 152 | 66.7 Ų | 66.7 | 57% | 0.574 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.2 | -50.5 | 175.3 | -178.9 | -175.8 | 66.6 | -170.9 | 1.3 | 111.3 | M350 K351 L352 L356 W357 D358 | M350-R354 PolarHBondContact O-N 3Å; K351-R354 PolarHBondContact O-N 3.34Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 3.44Å; R354-L356 PolarHBondContact O-N 2.88Å; R354-W357 PolarHBondContact O-N 3.23Å; R354-D358 WeakPolarHBondContact O-CB 3.31Å; R354-D358 PolarHBondContact O-N 2.81Å |
| 355 | A | 97.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 62 Ų | 62 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K351 L352 C353 Q359 F420 | K351-A355 PolarHBondContact O-N 3.46Å; K351-A355 VanDerWaalsContact O-N 3.1Å; L352-A355 PolarHBondContact O-N 2.85Å; C353-A355 PolarHBondContact O-N 3.47Å; A355-Q359 WeakPolarHBondContact O-CG 3.31Å; A355-Q359 PolarHBondContact O-N 3.35Å; A355-F420 HydrophobicContact CB-CZ 4.19Å |
| 356 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.5 | -43 | 176.2 | -69.3 | 160.3 | 0 | 0 | 0 | 112.4 | V336 V338 L352 C353 R354 D358 Q359 K360 F361 T363 L389 L419 F420 L423 | V336-L356 HydrophobicContact CG1-CD1 3.76Å; V336-L356 HydrophobicContact CG1-CD2 4.46Å; V338-L356 HydrophobicContact CG2-CD1 3.67Å; L352-L356 HydrophobicContact CD1-CD1 4.23Å; L352-L356 HydrophobicContact CD1-CG 4.4Å; L352-L356 HydrophobicContact CG-CD1 3.91Å; L352-L356 WeakPolarHBondContact O-CD1 3.4Å; L352-L356 VanDerWaalsContact O-CG 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.01Å; L352-L356 PolarHBondContact O-N 3.29Å; C353-L356 PolarHBondContact O-N 2.86Å; R354-L356 PolarHBondContact O-N 2.88Å; L356-D358 VanDerWaalsContact C-N 3.35Å; L356-Q359 CarbonylContact O-C 3.53Å; L356-Q359 PolarHBondContact O-N 2.97Å; L356-Q359 VanDerWaalsContact O-N 3.15Å; L356-K360 PolarHBondContact O-N 3.28Å; L356-F361 HydrophobicContact CB-CB 4.18Å; L356-F361 HydrophobicContact CD2-CB 4.39Å; L356-F361 HydrophobicContact CD2-CD2 3.95Å; L356-F361 HydrophobicContact CD2-CG 4.32Å; L356-F361 PolarHBondContact O-N 3.06Å; L356-T363 HydrophobicContact CB-CG2 4.33Å; L356-T363 VanDerWaalsContact CB-OG1 3.31Å; L356-T363 WeakPolarHBondContact CB-OG1 3.48Å; L356-T363 HydrophobicContact CD1-CG2 3.76Å; L356-L389 HydrophobicContact CD1-CD1 3.74Å; L356-L389 HydrophobicContact CD2-CD1 4.17Å; L356-L419 HydrophobicContact CD2-CD2 4.43Å; L356-F420 HydrophobicContact CD2-CD1 4.24Å; L356-F420 HydrophobicContact CD2-CE1 4.03Å; L356-L423 HydrophobicContact CD2-CD1 3.42Å; L356-L423 VanDerWaalsContact CD2-CD1 3.42Å |
| 357 | W | 98.3 | Very high | 97.8 | Very high | 131 Ų | 131 | 70.7 Ų | 70.7 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 175.1 | -67.2 | -29.1 | 0 | 0 | 0 | 112.6 | C353 R354 Q359 K360 T363 | C353-W357 HydrophobicContact CB-CH2 4.23Å; C353-W357 HydrophobicContact CB-CZ2 4.22Å; C353-W357 HydrophobicContact CB-CZ3 4.38Å; C353-W357 VanDerWaalsContact O-CG 3.27Å; C353-W357 PolarHBondContact O-N 3.1Å; R354-W357 PolarHBondContact O-N 3.23Å; W357-Q359 PolarHBondContact O-N 3.03Å; W357-K360 WeakPolarHBondContact O-CA 3.5Å; W357-K360 PolarHBondContact O-N 2.89Å; W357-T363 PolarHBondContact NE1-O 3.11Å |
| 358 | D | 98.1 | Very high | 97.7 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.2 | -31.1 | 174.6 | -69.1 | -22.3 | 0 | 0 | 0 | 111.2 | R354 L356 | R354-D358 WeakPolarHBondContact O-CB 3.31Å; R354-D358 PolarHBondContact O-N 2.81Å; L356-D358 VanDerWaalsContact C-N 3.35Å |
| 359 | Q | 96.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 74.6 Ų | 74.6 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 10.9 | 173.4 | -62.1 | -58.9 | -53.9 | 0 | 0 | 114 | A355 L356 W357 F361 F420 | A355-Q359 WeakPolarHBondContact O-CG 3.31Å; A355-Q359 PolarHBondContact O-N 3.35Å; L356-Q359 CarbonylContact O-C 3.53Å; L356-Q359 PolarHBondContact O-N 2.97Å; L356-Q359 VanDerWaalsContact O-N 3.15Å; W357-Q359 PolarHBondContact O-N 3.03Å; Q359-F361 VanDerWaalsContact C-N 3.28Å; Q359-F361 HydrophobicContact CB-CD2 3.78Å; Q359-F361 HydrophobicContact CB-CE2 3.81Å; Q359-F361 PolarHBondContact O-N 3.46Å; Q359-F420 HydrophobicContact CB-CD1 4.27Å; Q359-F420 HydrophobicContact CB-CE1 4.38Å; Q359-F420 HydrophobicContact CB-CG 4.47Å; Q359-F420 HydrophobicContact CG-CD1 3.95Å; Q359-F420 HydrophobicContact CG-CD2 3.77Å; Q359-F420 HydrophobicContact CG-CE1 3.86Å; Q359-F420 HydrophobicContact CG-CE2 3.66Å; Q359-F420 HydrophobicContact CG-CG 3.91Å; Q359-F420 HydrophobicContact CG-CZ 3.71Å |
| 360 | K | 96.7 | Very high | 97.7 | Very high | 177 Ų | 177 | 77.8 Ų | 77.8 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 16.2 | 177.5 | -51.2 | -59.7 | -179.5 | -174.6 | 0 | 116.3 | L356 W357 | L356-K360 PolarHBondContact O-N 3.28Å; W357-K360 WeakPolarHBondContact O-CA 3.5Å; W357-K360 PolarHBondContact O-N 2.89Å |
| 361 | F | 97.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | trans | -71.4 | 130 | 168.3 | -67.1 | -75.3 | 0 | 0 | 0 | 110.6 | L356 Q359 T363 F420 L423 L427 | L356-F361 HydrophobicContact CB-CB 4.18Å; L356-F361 HydrophobicContact CD2-CB 4.39Å; L356-F361 HydrophobicContact CD2-CD2 3.95Å; L356-F361 HydrophobicContact CD2-CG 4.32Å; L356-F361 PolarHBondContact O-N 3.06Å; Q359-F361 VanDerWaalsContact C-N 3.28Å; Q359-F361 HydrophobicContact CB-CD2 3.78Å; Q359-F361 HydrophobicContact CB-CE2 3.81Å; Q359-F361 PolarHBondContact O-N 3.46Å; F361-T363 PolarHBondContact O-N 2.81Å; F361-T363 PolarHBondContact O-OG1 2.73Å; F361-T363 VanDerWaalsContact O-OG1 3.11Å; F361-F420 HydrophobicContact CD2-CD1 4.26Å; F361-F420 HydrophobicContact CE2-CB 4.01Å; F361-F420 AromaticContact CE2-CD1 3.74Å; F361-F420 HydrophobicContact CE2-CD1 3.74Å; F361-F420 HydrophobicContact CE2-CG 4.23Å; F361-F420 HydrophobicContact CZ-CB 4.4Å; F361-F420 WeakPolarHBondContact CZ-O 3.13Å; F361-L423 HydrophobicContact CD1-CB 4.3Å; F361-L423 HydrophobicContact CD2-CD1 4.47Å; F361-L423 HydrophobicContact CE1-CB 3.59Å; F361-L423 HydrophobicContact CE1-CD1 4.41Å; F361-L423 HydrophobicContact CE2-CD1 4.38Å; F361-L423 HydrophobicContact CZ-CB 3.71Å; F361-L423 HydrophobicContact CZ-CD1 4.34Å; F361-L427 HydrophobicContact CD1-CD1 3.76Å; F361-L427 HydrophobicContact CE1-CD1 3.8Å | ||
| 362 | K | 97.7 | Very high | 97.6 | Very high | 96 Ų | 96 | 76 Ų | 76 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -74.2 | 100.6 | 176.7 | -59.2 | 163.4 | -169.7 | 169.5 | 0 | 108.1 | E333 T334 D335 V336 | E333-K362 HydrophobicContact CB-CD 3.7Å; E333-K362 WeakPolarHBondContact O-CB 3.29Å; E333-K362 WeakPolarHBondContact O-CD 3.45Å; E333-K362 WeakPolarHBondContact OE2-CE 3.35Å; E333-K362 IonicContact OE2-NZ 3.39Å; E333-K362 PolarHBondContact OE2-NZ 3.36Å; T334-K362 CarbonylContact C-O 3.57Å; T334-K362 WeakPolarHBondContact CG2-O 3.42Å; D335-K362 HydrophobicContact CB-CB 4.44Å; D335-K362 PolarHBondContact N-O 2.88Å; D335-K362 WeakPolarHBondContact OD2-CB 3.29Å; D335-K362 PolarHBondContact OD2-N 2.88Å; V336-K362 PolarHBondContact N-O 3.17Å | ||
| 363 | T | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 77.6 Ų | 77.6 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.8 | -168 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | V336 V338 C353 L356 W357 F361 | V336-T363 HydrophobicContact CG1-CG2 3.66Å; V336-T363 WeakPolarHBondContact CG1-OG1 3.47Å; V336-T363 WeakPolarHBondContact O-CA 3.42Å; V338-T363 HydrophobicContact CG2-CG2 3.73Å; C353-T363 HydrophobicContact CB-CG2 4.39Å; L356-T363 HydrophobicContact CB-CG2 4.33Å; L356-T363 VanDerWaalsContact CB-OG1 3.31Å; L356-T363 WeakPolarHBondContact CB-OG1 3.48Å; L356-T363 HydrophobicContact CD1-CG2 3.76Å; W357-T363 PolarHBondContact NE1-O 3.11Å; F361-T363 PolarHBondContact O-N 2.81Å; F361-T363 PolarHBondContact O-OG1 2.73Å; F361-T363 VanDerWaalsContact O-OG1 3.11Å |
| 364 | E | 98.1 | Very high | 97.5 | Very high | 42 Ų | 42 | 83.1 Ų | 83.1 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 162 | 171.2 | -71.7 | -177 | -123.2 | 0 | 0 | 111.9 | T334 V336 Y337 V338 Y379 | T334-E364 WeakPolarHBondContact CB-OE1 3.4Å; T334-E364 HydrophobicContact CG2-CB 3.97Å; T334-E364 HydrophobicContact CG2-CG 3.78Å; T334-E364 PolarHBondContact OG1-OE1 3.35Å; V336-E364 PolarHBondContact O-N 2.9Å; V336-E364 VanDerWaalsContact O-N 3.16Å; Y337-E364 WeakPolarHBondContact CA-O 3.48Å; Y337-E364 HydrophobicContact CD2-CB 3.99Å; Y337-E364 HydrophobicContact CE2-CB 4.37Å; V338-E364 PolarHBondContact N-O 2.8Å; E364-Y379 PolarHBondContact OE2-OH 3.48Å |
| 365 | M | 97.9 | Very high | 97.4 | Very high | 23 Ų | 23 | 80.5 Ų | 80.5 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.5 | 166.8 | 63.8 | 160.5 | -175.5 | 0 | 0 | 110.1 | V338 L346 R349 M350 | V338-M365 HydrophobicContact CB-CB 4.28Å; V338-M365 WeakPolarHBondContact O-CB 3.41Å; L346-M365 HydrophobicContact CD1-CE 4.47Å; R349-M365 HydrophobicContact CB-SD 3.78Å; M350-M365 HydrophobicContact CE-CE 3.94Å; M350-M365 HydrophobicContact CG-CE 3.43Å; M350-M365 VanDerWaalsContact CG-CE 3.43Å; M350-M365 HydrophobicContact CG-SD 4.14Å |
| 366 | S | 97.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 79.1 Ų | 79.1 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -69.9 | 133.8 | 174.6 | 145.3 | 0 | 0 | 0 | 0 | 111.2 | Y337 K368 P371 | Y337-S366 WeakPolarHBondContact OH-CA 3.47Å; Y337-S366 WeakPolarHBondContact OH-CB 3.31Å; Y337-S366 PolarHBondContact OH-N 2.85Å; S366-K368 PolarHBondContact O-N 2.63Å; S366-K368 WeakPolarHBondContact OG-CB 3.47Å; S366-K368 PolarHBondContact OG-N 2.72Å; S366-P371 WeakPolarHBondContact OG-CB 3.47Å | ||
| 367 | Y | 97.1 | Very high | 97.4 | Very high | 217 Ų | 217 | 80 Ų | 80 | 85% | 0.851 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -76.6 | 7.4 | 172.6 | -55.2 | -33.7 | 0 | 0 | 0 | 114.8 | ||
| 368 | K | 97.1 | Very high | 97.3 | Very high | 125 Ų | 125 | 78 Ų | 78 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -85.6 | 146.1 | 168.4 | -59.5 | -176.2 | 179.9 | 177.1 | 0 | 110.3 | R349 S366 P371 | R349-K368 PolarHBondContact NH2-O 2.98Å; S366-K368 PolarHBondContact O-N 2.63Å; S366-K368 WeakPolarHBondContact OG-CB 3.47Å; S366-K368 PolarHBondContact OG-N 2.72Å; K368-P371 HydrophobicContact CB-CB 4.34Å; K368-P371 WeakPolarHBondContact O-CD 3.31Å |
| 369 | Q | 96.5 | Very high | 97.3 | Very high | 117 Ų | 117 | 76.2 Ų | 76.2 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -63.6 | -44.7 | 175.3 | -168.4 | 173.7 | 3.8 | 0 | 0 | 111.7 | L346 R349 | L346-Q369 HydrophobicContact CB-CG 4.36Å; L346-Q369 HydrophobicContact CD2-CB 4.47Å; L346-Q369 HydrophobicContact CD2-CG 4.22Å; R349-Q369 PolarHBondContact NH1-O 3.11Å; R349-Q369 PolarHBondContact NH2-O 2.95Å |
| 370 | N | 96.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -129.1 | 68.1 | -175.3 | -58.4 | -53.2 | 0 | 0 | 0 | 111.8 | K343 N344 | K343-N370 WeakPolarHBondContact CA-OD1 3.28Å; K343-N370 WeakPolarHBondContact CB-OD1 3.44Å; K343-N370 HydrophobicContact CG-CB 4.24Å; N344-N370 PolarHBondContact N-OD1 3.17Å |
| 371 | P | 97.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | trans | -69.6 | 145.4 | 179.2 | 29.6 | -33.4 | 0 | 0 | 0 | 111.6 | S366 K368 Q376 | S366-P371 WeakPolarHBondContact OG-CB 3.47Å; K368-P371 HydrophobicContact CB-CB 4.34Å; K368-P371 WeakPolarHBondContact O-CD 3.31Å; P371-Q376 HydrophobicContact CB-CG 3.87Å; P371-Q376 VanDerWaalsContact CG-CD 3.45Å; P371-Q376 HydrophobicContact CG-CG 4.21Å; P371-Q376 PolarHBondContact O-NE2 3.3Å | ||
| 372 | K | 97.3 | Very high | 96.9 | Very high | 150 Ų | 150 | 71.2 Ų | 71.2 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | trans | -72.1 | 137.8 | 171.7 | -68.2 | -172.9 | 177.6 | -177 | 0 | 109.6 | L374 Q375 Q376 | K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.07Å; K372-Q375 HydrophobicContact CB-CG 4.31Å; K372-Q375 PolarHBondContact O-N 3.22Å; K372-Q376 WeakPolarHBondContact O-CG 3.48Å; K372-Q376 PolarHBondContact O-N 2.76Å; K372-Q376 PolarHBondContact O-NE2 3.24Å | ||
| 373 | L | 97 | Very high | 96.8 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 179.6 | -176.4 | 63 | 0 | 0 | 0 | 112.3 | A339 A341 Q375 Q376 L377 I390 | A339-L373 HydrophobicContact CB-CD1 4.07Å; A341-L373 HydrophobicContact CB-CB 3.98Å; A341-L373 HydrophobicContact CB-CD2 4.11Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 2.87Å; L373-Q376 WeakPolarHBondContact O-CB 3.48Å; L373-Q376 PolarHBondContact O-N 3.46Å; L373-L377 HydrophobicContact CD1-CD1 4.39Å; L373-L377 HydrophobicContact CD1-CG 4.25Å; L373-L377 HydrophobicContact CD2-CD1 4.5Å; L373-L377 HydrophobicContact CG-CD1 4.05Å; L373-L377 HydrophobicContact CG-CG 4.33Å; L373-L377 PolarHBondContact O-N 3.11Å; L373-I390 HydrophobicContact CD1-CD1 4.26Å; L373-I390 HydrophobicContact CD1-CG1 4.31Å; L373-I390 HydrophobicContact CD1-CG2 4.27Å |
| 374 | L | 96.9 | Very high | 96.5 | Very high | 118 Ų | 118 | 72.9 Ų | 72.9 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.3 | -45 | 178.8 | -178 | 63.2 | 0 | 0 | 0 | 112.5 | K372 Q376 L377 Q378 | K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.07Å; L374-Q376 VanDerWaalsContact C-N 3.3Å; L374-Q376 PolarHBondContact O-N 3.14Å; L374-L377 PolarHBondContact O-N 2.95Å; L374-Q378 HydrophobicContact CD1-CG 4.48Å; L374-Q378 WeakPolarHBondContact O-CB 3.45Å; L374-Q378 WeakPolarHBondContact O-CG 3.35Å; L374-Q378 PolarHBondContact O-N 3.47Å |
| 375 | Q | 97.4 | Very high | 96.4 | Very high | 96 Ų | 96 | 70.9 Ų | 70.9 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 179.2 | -69.7 | 179.8 | -12.6 | 0 | 0 | 112.3 | K372 L373 Y379 | K372-Q375 HydrophobicContact CB-CG 4.31Å; K372-Q375 PolarHBondContact O-N 3.22Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 2.87Å; Q375-Y379 WeakPolarHBondContact O-CB 3.27Å; Q375-Y379 PolarHBondContact O-N 3.02Å |
| 376 | Q | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 177.3 | -68.3 | 171.4 | 99.4 | 0 | 0 | 111.3 | Y337 A339 S340 P371 K372 L373 L374 Y379 C380 | Y337-Q376 HydrophobicContact CE1-CB 3.7Å; Y337-Q376 HydrophobicContact CE1-CG 3.93Å; A339-Q376 VanDerWaalsContact CA-OE1 3.25Å; A339-Q376 HydrophobicContact CB-CB 4.16Å; S340-Q376 PolarHBondContact O-NE2 2.57Å; P371-Q376 HydrophobicContact CB-CG 3.87Å; P371-Q376 VanDerWaalsContact CG-CD 3.45Å; P371-Q376 HydrophobicContact CG-CG 4.21Å; P371-Q376 PolarHBondContact O-NE2 3.3Å; K372-Q376 WeakPolarHBondContact O-CG 3.48Å; K372-Q376 PolarHBondContact O-N 2.76Å; K372-Q376 PolarHBondContact O-NE2 3.24Å; L373-Q376 WeakPolarHBondContact O-CB 3.48Å; L373-Q376 PolarHBondContact O-N 3.46Å; L374-Q376 VanDerWaalsContact C-N 3.3Å; L374-Q376 PolarHBondContact O-N 3.14Å; Q376-Y379 WeakPolarHBondContact O-CB 3.39Å; Q376-Y379 PolarHBondContact O-N 3.27Å; Q376-C380 PolarHBondContact O-N 3.48Å; Q376-C380 VanDerWaalsContact O-N 3.15Å; Q376-C380 PolarHBondContact O-SG 3.01Å |
| 377 | L | 97.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 176.9 | -64.8 | 176.4 | 0 | 0 | 0 | 111.7 | L373 L374 Y379 C380 E381 A388 R404 | L373-L377 HydrophobicContact CD1-CD1 4.39Å; L373-L377 HydrophobicContact CD1-CG 4.25Å; L373-L377 HydrophobicContact CD2-CD1 4.5Å; L373-L377 HydrophobicContact CG-CD1 4.05Å; L373-L377 HydrophobicContact CG-CG 4.33Å; L373-L377 PolarHBondContact O-N 3.11Å; L374-L377 PolarHBondContact O-N 2.95Å; L377-Y379 VanDerWaalsContact C-N 3.31Å; L377-Y379 PolarHBondContact O-N 2.9Å; L377-C380 WeakPolarHBondContact O-CA 3.21Å; L377-C380 WeakPolarHBondContact O-CB 3.31Å; L377-C380 PolarHBondContact O-N 3.44Å; L377-E381 PolarHBondContact O-N 3.09Å; L377-A388 HydrophobicContact CD2-CB 4.24Å; L377-R404 VanDerWaalsContact CD1-NH1 3.27Å |
| 378 | Q | 96.7 | Very high | 96.3 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 172.3 | -75.8 | 174.3 | -36.2 | 0 | 0 | 111.6 | L374 C380 E381 D382 | L374-Q378 HydrophobicContact CD1-CG 4.48Å; L374-Q378 WeakPolarHBondContact O-CB 3.45Å; L374-Q378 WeakPolarHBondContact O-CG 3.35Å; L374-Q378 PolarHBondContact O-N 3.47Å; Q378-C380 VanDerWaalsContact C-N 3.27Å; Q378-C380 PolarHBondContact O-N 3.03Å; Q378-E381 PolarHBondContact O-N 3.16Å; Q378-D382 WeakPolarHBondContact O-CB 3.31Å; Q378-D382 VanDerWaalsContact O-CG 3.32Å; Q378-D382 PolarHBondContact O-N 3.19Å |
| 379 | Y | 96.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 173.3 | -179.9 | -93.2 | 0 | 0 | 0 | 112.3 | Y337 E364 Q375 Q376 L377 R383 I385 | Y337-Y379 AromaticContact CD2-CD1 3.8Å; Y337-Y379 HydrophobicContact CD2-CD1 3.8Å; Y337-Y379 AromaticContact CD2-CE1 3.86Å; Y337-Y379 HydrophobicContact CD2-CE1 3.86Å; Y337-Y379 AromaticContact CE2-CD1 3.49Å; Y337-Y379 HydrophobicContact CE2-CD1 3.49Å; Y337-Y379 VanDerWaalsContact CE2-CD1 3.49Å; Y337-Y379 AromaticContact CE2-CE1 3.61Å; Y337-Y379 HydrophobicContact CE2-CE1 3.61Å; Y337-Y379 HydrophobicContact CE2-CG 4.46Å; E364-Y379 PolarHBondContact OE2-OH 3.48Å; Q375-Y379 WeakPolarHBondContact O-CB 3.27Å; Q375-Y379 PolarHBondContact O-N 3.02Å; Q376-Y379 WeakPolarHBondContact O-CB 3.39Å; Q376-Y379 PolarHBondContact O-N 3.27Å; L377-Y379 VanDerWaalsContact C-N 3.31Å; L377-Y379 PolarHBondContact O-N 2.9Å; Y379-R383 HydrophobicContact CE2-CG 4.35Å; Y379-R383 VanDerWaalsContact CZ-CD 3.44Å; Y379-R383 VanDerWaalsContact O-CB 3.3Å; Y379-R383 WeakPolarHBondContact O-CB 3.06Å; Y379-R383 PolarHBondContact O-N 3.38Å; Y379-R383 PolarHBondContact OH-NE 3.4Å; Y379-R383 PolarHBondContact OH-NH1 2.74Å; Y379-I385 HydrophobicContact CD1-CD1 4.06Å; Y379-I385 HydrophobicContact CE1-CD1 3.82Å |
| 380 | C | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 176 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | Y337 Q376 L377 Q378 C384 I385 V406 | Y337-C380 WeakPolarHBondContact CB-SG 3.44Å; Q376-C380 PolarHBondContact O-N 3.48Å; Q376-C380 VanDerWaalsContact O-N 3.15Å; Q376-C380 PolarHBondContact O-SG 3.01Å; L377-C380 WeakPolarHBondContact O-CA 3.21Å; L377-C380 WeakPolarHBondContact O-CB 3.31Å; L377-C380 PolarHBondContact O-N 3.44Å; Q378-C380 VanDerWaalsContact C-N 3.27Å; Q378-C380 PolarHBondContact O-N 3.03Å; C380-C384 CarbonylContact O-C 3.6Å; C380-C384 WeakPolarHBondContact O-CA 3.42Å; C380-C384 PolarHBondContact O-N 2.78Å; C380-I385 HydrophobicContact CB-CB 4.11Å; C380-I385 PolarHBondContact O-N 2.85Å; C380-V406 HydrophobicContact CB-CG1 3.9Å; C380-V406 HydrophobicContact CB-CG2 3.88Å |
| 381 | E | 94.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.2 | -70.9 | 177.5 | 159.7 | 0 | 0 | 111.3 | L377 Q378 C384 V406 R409 | L377-E381 PolarHBondContact O-N 3.09Å; Q378-E381 PolarHBondContact O-N 3.16Å; E381-C384 PolarHBondContact O-N 2.88Å; E381-V406 HydrophobicContact CG-CG1 3.81Å; E381-R409 IonicContact OE1-CZ 2.68Å; E381-R409 IonicContact OE1-NE 3.22Å; E381-R409 IonicContact OE1-NH2 3.55Å; E381-R409 PolarHBondContact OE1-NH2 2.73Å |
| 382 | D | 93.2 | Very high | 96.4 | Very high | 118 Ų | 118 | 45.1 Ų | 45.1 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.5 | -40.7 | -179.8 | -70.8 | -23.6 | 0 | 0 | 0 | 112 | Q378 C384 | Q378-D382 WeakPolarHBondContact O-CB 3.31Å; Q378-D382 VanDerWaalsContact O-CG 3.32Å; Q378-D382 PolarHBondContact O-N 3.19Å; D382-C384 VanDerWaalsContact C-N 3.32Å |
| 383 | R | 94 | Very high | 96.3 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.2 | 178.3 | -68.2 | -153 | 176.2 | -163.9 | -2.3 | 114.4 | N332 Y379 I385 | N332-R383 PolarHBondContact ND2-O 2.91Å; Y379-R383 HydrophobicContact CE2-CG 4.35Å; Y379-R383 VanDerWaalsContact CZ-CD 3.44Å; Y379-R383 VanDerWaalsContact O-CB 3.3Å; Y379-R383 WeakPolarHBondContact O-CB 3.06Å; Y379-R383 PolarHBondContact O-N 3.38Å; Y379-R383 PolarHBondContact OH-NE 3.4Å; Y379-R383 PolarHBondContact OH-NH1 2.74Å; R383-I385 HydrophobicContact CB-CD1 4.25Å; R383-I385 HydrophobicContact CB-CG1 4.02Å; R383-I385 PolarHBondContact O-N 3.44Å |
| 384 | C | 93.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.9 | -178 | -58 | 0 | 0 | 0 | 0 | 112.9 | R330 C380 E381 D382 | R330-C384 HydrophobicContact CG-CB 3.83Å; R330-C384 VanDerWaalsContact CZ-O 3.28Å; R330-C384 PolarHBondContact NE-O 3.25Å; C380-C384 CarbonylContact O-C 3.6Å; C380-C384 WeakPolarHBondContact O-CA 3.42Å; C380-C384 PolarHBondContact O-N 2.78Å; E381-C384 PolarHBondContact O-N 2.88Å; D382-C384 VanDerWaalsContact C-N 3.32Å |
| 385 | I | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -74.1 | 123.8 | 173.9 | -58.3 | 174 | 0 | 0 | 0 | 107.5 | T334 Y337 Y379 C380 R383 L387 V406 | T334-I385 HydrophobicContact CG2-CD1 3.9Å; T334-I385 HydrophobicContact CG2-CG1 4.22Å; T334-I385 HydrophobicContact CG2-CG2 4.13Å; Y337-I385 HydrophobicContact CD2-CD1 4.11Å; Y379-I385 HydrophobicContact CD1-CD1 4.06Å; Y379-I385 HydrophobicContact CE1-CD1 3.82Å; C380-I385 HydrophobicContact CB-CB 4.11Å; C380-I385 PolarHBondContact O-N 2.85Å; R383-I385 HydrophobicContact CB-CD1 4.25Å; R383-I385 HydrophobicContact CB-CG1 4.02Å; R383-I385 PolarHBondContact O-N 3.44Å; I385-L387 PolarHBondContact O-N 2.76Å; I385-V406 WeakPolarHBondContact O-CB 3.44Å; I385-V406 WeakPolarHBondContact O-CG2 3.43Å | ||
| 386 | P | 95.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | trans | -74.6 | -30.4 | -167 | 27.2 | -33.3 | 0 | 0 | 0 | 113.3 | T334 D335 V406 P407 L427 T430 | T334-P386 WeakPolarHBondContact O-CD 3.45Å; D335-P386 WeakPolarHBondContact O-CD 3.11Å; D335-P386 WeakPolarHBondContact O-CG 3.16Å; P386-V406 PolarHBondContact O-N 3.32Å; P386-P407 WeakPolarHBondContact O-CD 3.43Å; P386-L427 HydrophobicContact CG-CD2 4.05Å; P386-T430 HydrophobicContact CB-CG2 4.21Å | ||
| 387 | L | 97.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.2 | -170.9 | -59.4 | 178 | 0 | 0 | 0 | 111.5 | V336 Y337 I385 L403 R404 L423 R426 L427 | V336-L387 CarbonylContact C-O 3.59Å; V336-L387 WeakPolarHBondContact CA-O 3.4Å; V336-L387 HydrophobicContact CG2-CB 3.6Å; Y337-L387 PolarHBondContact N-O 3.18Å; I385-L387 PolarHBondContact O-N 2.76Å; L387-L403 HydrophobicContact CB-CD1 4.11Å; L387-L403 HydrophobicContact CD1-CD1 4.48Å; L387-L403 HydrophobicContact CD2-CD1 4.22Å; L387-L403 HydrophobicContact CG-CD1 4.49Å; L387-R404 WeakPolarHBondContact CA-O 3.28Å; L387-L423 HydrophobicContact CD1-CD2 3.77Å; L387-R426 HydrophobicContact CD1-CB 3.96Å; L387-R426 HydrophobicContact CD2-CB 4.42Å; L387-L427 HydrophobicContact CD1-CD2 3.95Å; L387-L427 HydrophobicContact CD1-CG 4.05Å |
| 388 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y337 L377 R404 V406 | Y337-A388 CarbonylContact O-C 3.57Å; Y337-A388 VanDerWaalsContact O-CA 3.24Å; Y337-A388 WeakPolarHBondContact O-CA 3.48Å; L377-A388 HydrophobicContact CD2-CB 4.24Å; A388-R404 HydrophobicContact CB-CB 4.36Å; A388-R404 PolarHBondContact N-O 3.03Å; A388-R404 PolarHBondContact O-N 3.45Å; A388-V406 HydrophobicContact CB-CG2 4.03Å |
| 389 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.9 | 174.2 | -66.3 | 174.8 | 0 | 0 | 0 | 109.5 | V336 Y337 A339 L352 L356 V401 K402 L403 L419 L423 | V336-L389 HydrophobicContact CG1-CD1 4.13Å; V336-L389 HydrophobicContact CG2-CD1 4.02Å; V336-L389 HydrophobicContact CG2-CG 3.82Å; Y337-L389 PolarHBondContact O-N 2.85Å; A339-L389 PolarHBondContact N-O 3.47Å; L352-L389 HydrophobicContact CD2-CB 4.26Å; L352-L389 HydrophobicContact CD2-CD1 4.24Å; L356-L389 HydrophobicContact CD1-CD1 3.74Å; L356-L389 HydrophobicContact CD2-CD1 4.17Å; L389-V401 HydrophobicContact CD2-CG2 3.93Å; L389-K402 CarbonylContact C-O 3.57Å; L389-K402 WeakPolarHBondContact CA-O 3.46Å; L389-L403 HydrophobicContact CD2-CB 4.07Å; L389-L403 HydrophobicContact CD2-CD1 3.66Å; L389-L403 HydrophobicContact CD2-CG 4.44Å; L389-L419 HydrophobicContact CD1-CD1 4.07Å; L389-L419 HydrophobicContact CD1-CD2 4.14Å; L389-L419 HydrophobicContact CD2-CD1 3.71Å; L389-L423 HydrophobicContact CD1-CD1 4.26Å; L389-L423 HydrophobicContact CD2-CD2 4.42Å |
| 390 | I | 97.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.6 | -177.4 | -53.2 | 170.5 | 0 | 0 | 0 | 108.6 | A339 L373 K402 R404 | A339-I390 HydrophobicContact CB-CG1 4.38Å; A339-I390 WeakPolarHBondContact O-CA 3.42Å; L373-I390 HydrophobicContact CD1-CD1 4.26Å; L373-I390 HydrophobicContact CD1-CG1 4.31Å; L373-I390 HydrophobicContact CD1-CG2 4.27Å; I390-K402 HydrophobicContact CB-CB 4.09Å; I390-K402 PolarHBondContact N-O 3.35Å; I390-K402 PolarHBondContact O-N 3.4Å; I390-R404 HydrophobicContact CD1-CB 4.29Å |
| 391 | I | 96.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.7 | 174.5 | 66.3 | 174.2 | 0 | 0 | 0 | 111.4 | A339 S340 L345 E348 R349 L352 V401 | A339-I391 PolarHBondContact O-N 3.3Å; S340-I391 WeakPolarHBondContact CA-O 3.48Å; S340-I391 VanDerWaalsContact CB-O 3.23Å; S340-I391 WeakPolarHBondContact CB-O 3.47Å; L345-I391 HydrophobicContact CD1-CG1 4.46Å; E348-I391 HydrophobicContact CB-CD1 3.69Å; R349-I391 HydrophobicContact CB-CD1 4.32Å; R349-I391 HydrophobicContact CG-CD1 3.6Å; R349-I391 HydrophobicContact CG-CG1 4.14Å; L352-I391 HydrophobicContact CD2-CG2 3.77Å; I391-V401 HydrophobicContact CG2-CG1 3.99Å |
| 392 | G | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | trans | -140.7 | 167.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S394 E395 I396 | G392-S394 VanDerWaalsContact C-N 3.3Å; G392-S394 PolarHBondContact O-N 3.23Å; G392-E395 WeakPolarHBondContact CA-OE2 3.38Å; G392-E395 PolarHBondContact N-OE2 3.3Å; G392-E395 PolarHBondContact O-N 3.03Å; G392-I396 WeakPolarHBondContact O-CD1 3.28Å; G392-I396 VanDerWaalsContact O-CG1 3.24Å; G392-I396 WeakPolarHBondContact O-CG1 3.28Å; G392-I396 PolarHBondContact O-N 3.02Å | ||
| 393 | E | 95.9 | Very high | 96 | Very high | 108 Ų | 108 | 38.8 Ų | 38.8 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.5 | -41.2 | -179.1 | -75.2 | 174.7 | -174.9 | 0 | 0 | 112.2 | L345 I396 Q397 | L345-E393 HydrophobicContact CD2-CG 4.32Å; E393-I396 PolarHBondContact O-N 3.41Å; E393-Q397 VanDerWaalsContact O-CG 3.3Å; E393-Q397 WeakPolarHBondContact O-CG 3.49Å; E393-Q397 PolarHBondContact O-N 3.16Å |
| 394 | S | 94.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 36 Ų | 36 | 42% | 0.42 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | G392 I396 Q397 R398 | G392-S394 VanDerWaalsContact C-N 3.3Å; G392-S394 PolarHBondContact O-N 3.23Å; S394-I396 VanDerWaalsContact C-N 3.33Å; S394-I396 PolarHBondContact O-N 3.05Å; S394-Q397 PolarHBondContact O-N 3.23Å; S394-R398 WeakPolarHBondContact O-CB 3.48Å; S394-R398 VanDerWaalsContact O-CG 3.31Å; S394-R398 WeakPolarHBondContact O-CG 3.47Å; S394-R398 PolarHBondContact O-N 3.21Å |
| 395 | E | 93.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 177.2 | -68.4 | 78.8 | -176.2 | 0 | 0 | 111.2 | G392 R398 G399 I400 K402 | G392-E395 WeakPolarHBondContact CA-OE2 3.38Å; G392-E395 PolarHBondContact N-OE2 3.3Å; G392-E395 PolarHBondContact O-N 3.03Å; E395-R398 CarbonylContact O-C 3.51Å; E395-R398 PolarHBondContact O-N 3.36Å; E395-G399 PolarHBondContact O-N 2.92Å; E395-I400 CarbonylContact C-O 3.59Å; E395-I400 HydrophobicContact CB-CD1 4.48Å; E395-I400 HydrophobicContact CB-CG1 3.9Å; E395-I400 HydrophobicContact CG-CD1 4.18Å; E395-I400 HydrophobicContact CG-CG1 4.12Å; E395-I400 PolarHBondContact O-N 2.97Å; E395-I400 VanDerWaalsContact O-O 3.1Å; E395-K402 HydrophobicContact CG-CD 4.47Å; E395-K402 HydrophobicContact CG-CG 4.34Å; E395-K402 VanDerWaalsContact OE1-CE 3.29Å; E395-K402 WeakPolarHBondContact OE1-CE 3.32Å; E395-K402 IonicContact OE1-NZ 3.37Å; E395-K402 PolarHBondContact OE1-NZ 2.97Å |
| 396 | I | 93.8 | Very high | 96.3 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.4 | -67.9 | 159 | 0 | 0 | 0 | 110.9 | L345 E348 G392 E393 S394 R398 G399 | L345-I396 HydrophobicContact CD2-CD1 3.69Å; E348-I396 HydrophobicContact CB-CD1 4Å; E348-I396 HydrophobicContact CG-CD1 3.84Å; G392-I396 WeakPolarHBondContact O-CD1 3.28Å; G392-I396 VanDerWaalsContact O-CG1 3.24Å; G392-I396 WeakPolarHBondContact O-CG1 3.28Å; G392-I396 PolarHBondContact O-N 3.02Å; E393-I396 PolarHBondContact O-N 3.41Å; S394-I396 VanDerWaalsContact C-N 3.33Å; S394-I396 PolarHBondContact O-N 3.05Å; I396-R398 VanDerWaalsContact C-N 3.27Å; I396-R398 PolarHBondContact O-N 3.46Å; I396-G399 PolarHBondContact O-N 3.42Å; I396-G399 VanDerWaalsContact O-N 3.11Å |
| 397 | Q | 95.1 | Very high | 96.1 | Very high | 164 Ų | 164 | 40.1 Ų | 40.1 | 77% | 0.766 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -36.4 | 178.1 | -74 | 172.8 | 4.2 | 0 | 0 | 112.3 | E393 S394 G399 | E393-Q397 VanDerWaalsContact O-CG 3.3Å; E393-Q397 WeakPolarHBondContact O-CG 3.49Å; E393-Q397 PolarHBondContact O-N 3.16Å; S394-Q397 PolarHBondContact O-N 3.23Å; Q397-G399 VanDerWaalsContact C-N 3.29Å; Q397-G399 PolarHBondContact O-N 3.34Å |
| 398 | R | 95.8 | Very high | 95.9 | Very high | 134 Ų | 134 | 43.8 Ų | 43.8 | 51% | 0.506 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.9 | 177.8 | -71 | 174.1 | 61.5 | -156.8 | -6 | 113.8 | S394 E395 I396 I400 E413 | S394-R398 WeakPolarHBondContact O-CB 3.48Å; S394-R398 VanDerWaalsContact O-CG 3.31Å; S394-R398 WeakPolarHBondContact O-CG 3.47Å; S394-R398 PolarHBondContact O-N 3.21Å; E395-R398 CarbonylContact O-C 3.51Å; E395-R398 PolarHBondContact O-N 3.36Å; I396-R398 VanDerWaalsContact C-N 3.27Å; I396-R398 PolarHBondContact O-N 3.46Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 HydrophobicContact CB-CD1 4.4Å; R398-I400 HydrophobicContact CB-CG1 3.99Å; R398-I400 HydrophobicContact CB-CG2 4.49Å; R398-I400 VanDerWaalsContact CZ-CD1 3.48Å; R398-I400 PolarHBondContact O-N 3.5Å; R398-E413 IonicContact CZ-OE1 2.62Å; R398-E413 IonicContact CZ-OE2 2.67Å; R398-E413 IonicContact NH1-OE1 3.47Å; R398-E413 PolarHBondContact NH1-OE1 2.94Å; R398-E413 IonicContact NH1-OE2 2.77Å; R398-E413 PolarHBondContact NH1-OE2 2.83Å; R398-E413 IonicContact NH2-OE1 2.75Å; R398-E413 IonicContact NH2-OE2 3.84Å; R398-E413 PolarHBondContact NH2-OE2 3.02Å |
| 399 | G | 95.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 25.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | E395 I396 Q397 R416 | E395-G399 PolarHBondContact O-N 2.92Å; I396-G399 PolarHBondContact O-N 3.42Å; I396-G399 VanDerWaalsContact O-N 3.11Å; Q397-G399 VanDerWaalsContact C-N 3.29Å; Q397-G399 PolarHBondContact O-N 3.34Å; G399-R416 WeakPolarHBondContact O-CB 3.44Å; G399-R416 WeakPolarHBondContact O-CG 3.22Å; G399-R416 PolarHBondContact O-N 2.98Å |
| 400 | I | 97 | Very high | 95.6 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 170.4 | -179.7 | 65.5 | 167 | 0 | 0 | 0 | 111.4 | E395 R398 E413 V414 | E395-I400 CarbonylContact C-O 3.59Å; E395-I400 HydrophobicContact CB-CD1 4.48Å; E395-I400 HydrophobicContact CB-CG1 3.9Å; E395-I400 HydrophobicContact CG-CD1 4.18Å; E395-I400 HydrophobicContact CG-CG1 4.12Å; E395-I400 PolarHBondContact O-N 2.97Å; E395-I400 VanDerWaalsContact O-O 3.1Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 HydrophobicContact CB-CD1 4.4Å; R398-I400 HydrophobicContact CB-CG1 3.99Å; R398-I400 HydrophobicContact CB-CG2 4.49Å; R398-I400 VanDerWaalsContact CZ-CD1 3.48Å; R398-I400 PolarHBondContact O-N 3.5Å; I400-E413 HydrophobicContact CD1-CB 3.94Å; I400-E413 HydrophobicContact CD1-CG 3.83Å; I400-E413 WeakPolarHBondContact CD1-OE2 3.3Å; I400-V414 CarbonylContact C-O 3.48Å; I400-V414 WeakPolarHBondContact CA-O 3.41Å |
| 401 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.7 | 164.8 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | L352 L389 I391 V414 R416 L419 | L352-V401 HydrophobicContact CD2-CG1 4.2Å; L389-V401 HydrophobicContact CD2-CG2 3.93Å; I391-V401 HydrophobicContact CG2-CG1 3.99Å; V401-V414 HydrophobicContact CG2-CB 4.28Å; V401-V414 PolarHBondContact N-O 2.87Å; V401-V414 PolarHBondContact O-N 2.97Å; V401-R416 HydrophobicContact CG1-CG 4.06Å; V401-L419 HydrophobicContact CG2-CD1 3.7Å; V401-L419 HydrophobicContact CG2-CD2 4.16Å; V401-L419 HydrophobicContact CG2-CG 4.45Å |
| 402 | K | 97.5 | Very high | 95.5 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.7 | 170.3 | -81.9 | 174.6 | 176.2 | 153.3 | 0 | 109.2 | L389 I390 E395 E412 E413 | L389-K402 CarbonylContact C-O 3.57Å; L389-K402 WeakPolarHBondContact CA-O 3.46Å; I390-K402 HydrophobicContact CB-CB 4.09Å; I390-K402 PolarHBondContact N-O 3.35Å; I390-K402 PolarHBondContact O-N 3.4Å; E395-K402 HydrophobicContact CG-CD 4.47Å; E395-K402 HydrophobicContact CG-CG 4.34Å; E395-K402 VanDerWaalsContact OE1-CE 3.29Å; E395-K402 WeakPolarHBondContact OE1-CE 3.32Å; E395-K402 IonicContact OE1-NZ 3.37Å; E395-K402 PolarHBondContact OE1-NZ 2.97Å; K402-E412 CarbonylContact C-O 3.59Å; K402-E412 WeakPolarHBondContact CA-O 3.42Å; K402-E413 HydrophobicContact CG-CG 4.2Å |
| 403 | L | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120 | 173.2 | 174.6 | 60.2 | 0 | 0 | 0 | 108.8 | L387 L389 E411 E412 V414 V422 L423 R426 | L387-L403 HydrophobicContact CB-CD1 4.11Å; L387-L403 HydrophobicContact CD1-CD1 4.48Å; L387-L403 HydrophobicContact CD2-CD1 4.22Å; L387-L403 HydrophobicContact CG-CD1 4.49Å; L389-L403 HydrophobicContact CD2-CB 4.07Å; L389-L403 HydrophobicContact CD2-CD1 3.66Å; L389-L403 HydrophobicContact CD2-CG 4.44Å; L403-E411 CarbonylContact O-C 3.5Å; L403-E411 VanDerWaalsContact O-CA 3.31Å; L403-E411 WeakPolarHBondContact O-CA 3.5Å; L403-E412 HydrophobicContact CB-CG 4.14Å; L403-E412 PolarHBondContact N-O 3.22Å; L403-E412 PolarHBondContact O-N 2.79Å; L403-V414 HydrophobicContact CB-CG2 3.74Å; L403-V414 HydrophobicContact CD2-CG2 4.15Å; L403-V422 HydrophobicContact CD2-CG1 3.73Å; L403-L423 HydrophobicContact CD1-CD2 3.93Å; L403-L423 HydrophobicContact CD2-CD2 4.4Å; L403-R426 HydrophobicContact CD2-CG 4.36Å |
| 404 | R | 97.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.6 | 172.9 | -171.6 | 173.6 | -165.2 | 146.4 | -2.8 | 110.3 | L377 L387 A388 I390 V406 Q410 E411 | L377-R404 VanDerWaalsContact CD1-NH1 3.27Å; L387-R404 WeakPolarHBondContact CA-O 3.28Å; A388-R404 HydrophobicContact CB-CB 4.36Å; A388-R404 PolarHBondContact N-O 3.03Å; A388-R404 PolarHBondContact O-N 3.45Å; I390-R404 HydrophobicContact CD1-CB 4.29Å; R404-V406 PolarHBondContact O-N 2.95Å; R404-Q410 WeakPolarHBondContact CA-O 3.31Å; R404-E411 HydrophobicContact CB-CG 3.87Å; R404-E411 WeakPolarHBondContact CD-OE1 3.26Å; R404-E411 HydrophobicContact CG-CG 3.73Å; R404-E411 IonicContact CZ-OE1 2.74Å; R404-E411 IonicContact NE-OE1 3.81Å; R404-E411 IonicContact NH1-OE1 2.91Å; R404-E411 PolarHBondContact NH1-OE1 3.42Å |
| 405 | T | 96.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.8 | 162.6 | -60 | 0 | 0 | 0 | 0 | 108.1 | T408 R409 Q410 | T405-T408 WeakPolarHBondContact CB-OG1 3.26Å; T405-T408 HydrophobicContact CG2-CG2 4.1Å; T405-T408 WeakPolarHBondContact CG2-OG1 3.44Å; T405-T408 PolarHBondContact O-N 3.21Å; T405-R409 VanDerWaalsContact O-CA 3.28Å; T405-R409 WeakPolarHBondContact O-CA 3.43Å; T405-R409 PolarHBondContact O-N 2.9Å; T405-Q410 PolarHBondContact N-O 2.99Å |
| 406 | V | 94.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -46.9 | -169.9 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | C380 E381 I385 P386 A388 R404 T408 R409 | C380-V406 HydrophobicContact CB-CG1 3.9Å; C380-V406 HydrophobicContact CB-CG2 3.88Å; E381-V406 HydrophobicContact CG-CG1 3.81Å; I385-V406 WeakPolarHBondContact O-CB 3.44Å; I385-V406 WeakPolarHBondContact O-CG2 3.43Å; P386-V406 PolarHBondContact O-N 3.32Å; A388-V406 HydrophobicContact CB-CG2 4.03Å; R404-V406 PolarHBondContact O-N 2.95Å; V406-T408 PolarHBondContact O-N 3.38Å; V406-R409 PolarHBondContact O-N 3.41Å |
| 407 | P | 90.8 | Very high | 95.8 | Very high | 105 Ų | 105 | 69.4 Ų | 69.4 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -42.5 | 179.3 | -24.5 | 34.9 | 0 | 0 | 0 | 114.1 | P386 | P386-P407 WeakPolarHBondContact O-CD 3.43Š|
| 408 | T | 93.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -12.4 | -175.4 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | T405 V406 Q410 | T405-T408 WeakPolarHBondContact CB-OG1 3.26Å; T405-T408 HydrophobicContact CG2-CG2 4.1Å; T405-T408 WeakPolarHBondContact CG2-OG1 3.44Å; T405-T408 PolarHBondContact O-N 3.21Å; V406-T408 PolarHBondContact O-N 3.38Å; T408-Q410 PolarHBondContact O-N 2.88Å; T408-Q410 PolarHBondContact OG1-N 3.19Å |
| 409 | R | 94.9 | Very high | 95.9 | Very high | 152 Ų | 152 | 60 Ų | 60 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | trans | 59.4 | 9.6 | -174.1 | -61 | 178.9 | 171.1 | -179.4 | -2.1 | 114.8 | E381 T405 V406 | E381-R409 IonicContact OE1-CZ 2.68Å; E381-R409 IonicContact OE1-NE 3.22Å; E381-R409 IonicContact OE1-NH2 3.55Å; E381-R409 PolarHBondContact OE1-NH2 2.73Å; T405-R409 VanDerWaalsContact O-CA 3.28Å; T405-R409 WeakPolarHBondContact O-CA 3.43Å; T405-R409 PolarHBondContact O-N 2.9Å; V406-R409 PolarHBondContact O-N 3.41Å | ||
| 410 | Q | 95.6 | Very high | 95.9 | Very high | 129 Ų | 129 | 61 Ų | 61 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | trans | -70.6 | 137.9 | 175.9 | -69.2 | -179.5 | -14.1 | 0 | 0 | 110.1 | R404 T405 T408 | R404-Q410 WeakPolarHBondContact CA-O 3.31Å; T405-Q410 PolarHBondContact N-O 2.99Å; T408-Q410 PolarHBondContact O-N 2.88Å; T408-Q410 PolarHBondContact OG1-N 3.19Å | ||
| 411 | E | 96.2 | Very high | 95.9 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.1 | 177.8 | -66.3 | -174 | 179.5 | 0 | 0 | 109.6 | L403 R404 | L403-E411 CarbonylContact O-C 3.5Å; L403-E411 VanDerWaalsContact O-CA 3.31Å; L403-E411 WeakPolarHBondContact O-CA 3.5Å; R404-E411 HydrophobicContact CB-CG 3.87Å; R404-E411 WeakPolarHBondContact CD-OE1 3.26Å; R404-E411 HydrophobicContact CG-CG 3.73Å; R404-E411 IonicContact CZ-OE1 2.74Å; R404-E411 IonicContact NE-OE1 3.81Å; R404-E411 IonicContact NH1-OE1 2.91Å; R404-E411 PolarHBondContact NH1-OE1 3.42Å |
| 412 | E | 96.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151 | 172.7 | 66.5 | -173 | 161.1 | 0 | 0 | 110.5 | K402 L403 V414 R426 | K402-E412 CarbonylContact C-O 3.59Å; K402-E412 WeakPolarHBondContact CA-O 3.42Å; L403-E412 HydrophobicContact CB-CG 4.14Å; L403-E412 PolarHBondContact N-O 3.22Å; L403-E412 PolarHBondContact O-N 2.79Å; E412-V414 HydrophobicContact CG-CG2 3.91Å; E412-R426 IonicContact OE1-CZ 3.85Å; E412-R426 IonicContact OE1-NE 2.92Å; E412-R426 PolarHBondContact OE1-NE 3.45Å; E412-R426 IonicContact OE1-NH2 3.68Å; E412-R426 PolarHBondContact OE1-NH2 3.4Å; E412-R426 IonicContact OE2-NH2 2.64Å; E412-R426 PolarHBondContact OE2-NH2 3.19Å; E412-R426 VanDerWaalsContact OE2-NH2 3.14Å |
| 413 | E | 97.5 | Very high | 95.8 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.2 | 173.9 | -67.4 | -171.2 | 157.8 | 0 | 0 | 109.4 | R398 I400 K402 | R398-E413 IonicContact CZ-OE1 2.62Å; R398-E413 IonicContact CZ-OE2 2.67Å; R398-E413 IonicContact NH1-OE1 3.47Å; R398-E413 PolarHBondContact NH1-OE1 2.94Å; R398-E413 IonicContact NH1-OE2 2.77Å; R398-E413 PolarHBondContact NH1-OE2 2.83Å; R398-E413 IonicContact NH2-OE1 2.75Å; R398-E413 IonicContact NH2-OE2 3.84Å; R398-E413 PolarHBondContact NH2-OE2 3.02Å; I400-E413 HydrophobicContact CD1-CB 3.94Å; I400-E413 HydrophobicContact CD1-CG 3.83Å; I400-E413 WeakPolarHBondContact CD1-OE2 3.3Å; K402-E413 HydrophobicContact CG-CG 4.2Å |
| 414 | V | 97.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.5 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | I400 V401 L403 E412 L419 V422 | I400-V414 CarbonylContact C-O 3.48Å; I400-V414 WeakPolarHBondContact CA-O 3.41Å; V401-V414 HydrophobicContact CG2-CB 4.28Å; V401-V414 PolarHBondContact N-O 2.87Å; V401-V414 PolarHBondContact O-N 2.97Å; L403-V414 HydrophobicContact CB-CG2 3.74Å; L403-V414 HydrophobicContact CD2-CG2 4.15Å; E412-V414 HydrophobicContact CG-CG2 3.91Å; V414-L419 HydrophobicContact CG1-CB 4.48Å; V414-L419 HydrophobicContact CG1-CD1 4.37Å; V414-V422 HydrophobicContact CG1-CB 4.17Å; V414-V422 HydrophobicContact CG1-CG1 4.47Å; V414-V422 HydrophobicContact CG1-CG2 3.91Å; V414-V422 HydrophobicContact CG2-CG1 4.25Å |
| 415 | P | 97.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 70.6 Ų | 70.6 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 136.3 | 168.8 | -26.8 | 37.2 | 0 | 0 | 0 | 111.9 | D417 Q418 L419 | P415-D417 WeakPolarHBondContact CB-OD1 3.35Å; P415-D417 PolarHBondContact O-N 3.25Å; P415-Q418 HydrophobicContact CB-CB 4.47Å; P415-Q418 HydrophobicContact CB-CG 4.36Å; P415-Q418 PolarHBondContact O-N 3.49Å; P415-L419 PolarHBondContact O-N 2.87Å; P415-L419 VanDerWaalsContact O-N 3.1Å |
| 416 | R | 94.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 72.6 Ų | 72.6 | 30% | 0.302 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -175.1 | -82.5 | -174.4 | 175 | -162.7 | -2 | 113.6 | G399 V401 Q418 L419 | G399-R416 WeakPolarHBondContact O-CB 3.44Å; G399-R416 WeakPolarHBondContact O-CG 3.22Å; G399-R416 PolarHBondContact O-N 2.98Å; V401-R416 HydrophobicContact CG1-CG 4.06Å; R416-Q418 VanDerWaalsContact C-N 3.31Å; R416-L419 WeakPolarHBondContact O-CB 3.04Å |
| 417 | D | 94.5 | Very high | 95.2 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 69% | 0.69 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25.4 | 175.6 | 62.1 | -32.2 | 0 | 0 | 0 | 113.1 | P415 | P415-D417 WeakPolarHBondContact CB-OD1 3.35Å; P415-D417 PolarHBondContact O-N 3.25Å |
| 418 | Q | 95.8 | Very high | 95 | Very high | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -11 | 178 | -61.2 | -178.9 | 13.2 | 0 | 0 | 113.5 | P415 R416 F420 N421 V422 | P415-Q418 HydrophobicContact CB-CB 4.47Å; P415-Q418 HydrophobicContact CB-CG 4.36Å; P415-Q418 PolarHBondContact O-N 3.49Å; R416-Q418 VanDerWaalsContact C-N 3.31Å; Q418-F420 PolarHBondContact O-N 2.82Å; Q418-N421 PolarHBondContact O-N 3.38Å; Q418-N421 VanDerWaalsContact O-N 3.11Å; Q418-V422 PolarHBondContact O-N 3.33Å; Q418-V422 VanDerWaalsContact O-N 3.14Å |
| 419 | L | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -48.9 | -50.6 | -171.3 | 177.2 | 58.6 | 0 | 0 | 0 | 113.6 | L352 L356 L389 V401 V414 P415 R416 N421 V422 L423 | L352-L419 HydrophobicContact CD1-CD2 3.78Å; L356-L419 HydrophobicContact CD2-CD2 4.43Å; L389-L419 HydrophobicContact CD1-CD1 4.07Å; L389-L419 HydrophobicContact CD1-CD2 4.14Å; L389-L419 HydrophobicContact CD2-CD1 3.71Å; V401-L419 HydrophobicContact CG2-CD1 3.7Å; V401-L419 HydrophobicContact CG2-CD2 4.16Å; V401-L419 HydrophobicContact CG2-CG 4.45Å; V414-L419 HydrophobicContact CG1-CB 4.48Å; V414-L419 HydrophobicContact CG1-CD1 4.37Å; P415-L419 PolarHBondContact O-N 2.87Å; P415-L419 VanDerWaalsContact O-N 3.1Å; R416-L419 WeakPolarHBondContact O-CB 3.04Å; L419-N421 VanDerWaalsContact C-N 3.33Å; L419-N421 PolarHBondContact O-N 3.45Å; L419-V422 PolarHBondContact O-N 3.26Å; L419-L423 HydrophobicContact CD1-CD1 3.86Å; L419-L423 HydrophobicContact CD1-CD2 4.4Å; L419-L423 HydrophobicContact CD1-CG 3.91Å; L419-L423 HydrophobicContact CG-CD1 3.98Å; L419-L423 HydrophobicContact CG-CG 4.41Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.47Å |
| 420 | F | 96.4 | Very high | 93.2 | Very high | 54 Ų | 54 | 75.4 Ų | 75.4 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -35.9 | -175.1 | -53.7 | -43.7 | 0 | 0 | 0 | 112.8 | A355 L356 Q359 F361 Q418 N424 | A355-F420 HydrophobicContact CB-CZ 4.19Å; L356-F420 HydrophobicContact CD2-CD1 4.24Å; L356-F420 HydrophobicContact CD2-CE1 4.03Å; Q359-F420 HydrophobicContact CB-CD1 4.27Å; Q359-F420 HydrophobicContact CB-CE1 4.38Å; Q359-F420 HydrophobicContact CB-CG 4.47Å; Q359-F420 HydrophobicContact CG-CD1 3.95Å; Q359-F420 HydrophobicContact CG-CD2 3.77Å; Q359-F420 HydrophobicContact CG-CE1 3.86Å; Q359-F420 HydrophobicContact CG-CE2 3.66Å; Q359-F420 HydrophobicContact CG-CG 3.91Å; Q359-F420 HydrophobicContact CG-CZ 3.71Å; F361-F420 HydrophobicContact CD2-CD1 4.26Å; F361-F420 HydrophobicContact CE2-CB 4.01Å; F361-F420 AromaticContact CE2-CD1 3.74Å; F361-F420 HydrophobicContact CE2-CD1 3.74Å; F361-F420 HydrophobicContact CE2-CG 4.23Å; F361-F420 HydrophobicContact CZ-CB 4.4Å; F361-F420 WeakPolarHBondContact CZ-O 3.13Å; Q418-F420 PolarHBondContact O-N 2.82Å; F420-N424 WeakPolarHBondContact O-CB 3.2Å; F420-N424 PolarHBondContact O-N 2.96Å; F420-N424 PolarHBondContact O-ND2 3.06Å |
| 421 | N | 96.1 | Very high | 91.8 | Very high | 118 Ų | 118 | 73 Ų | 73 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.9 | -45.8 | 176.8 | -68.7 | -21.2 | 0 | 0 | 0 | 110.6 | Q418 L419 L423 N424 E425 | Q418-N421 PolarHBondContact O-N 3.38Å; Q418-N421 VanDerWaalsContact O-N 3.11Å; L419-N421 VanDerWaalsContact C-N 3.33Å; L419-N421 PolarHBondContact O-N 3.45Å; N421-L423 PolarHBondContact O-N 2.59Å; N421-N424 PolarHBondContact O-N 3.18Å; N421-E425 PolarHBondContact O-N 3.06Å |
| 422 | V | 96.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | L403 V414 Q418 L419 E425 R426 | L403-V422 HydrophobicContact CD2-CG1 3.73Å; V414-V422 HydrophobicContact CG1-CB 4.17Å; V414-V422 HydrophobicContact CG1-CG1 4.47Å; V414-V422 HydrophobicContact CG1-CG2 3.91Å; V414-V422 HydrophobicContact CG2-CG1 4.25Å; Q418-V422 PolarHBondContact O-N 3.33Å; Q418-V422 VanDerWaalsContact O-N 3.14Å; L419-V422 PolarHBondContact O-N 3.26Å; V422-E425 PolarHBondContact O-N 2.95Å; V422-R426 HydrophobicContact CG1-CG 4.25Å; V422-R426 WeakPolarHBondContact O-CB 3.4Å; V422-R426 VanDerWaalsContact O-CG 3.23Å; V422-R426 WeakPolarHBondContact O-CG 3.26Å; V422-R426 PolarHBondContact O-N 2.97Å |
| 423 | L | 96.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 177.5 | -69.6 | 176.7 | 0 | 0 | 0 | 112.2 | V336 L356 F361 L387 L389 L403 L419 N421 E425 R426 L427 | V336-L423 HydrophobicContact CG2-CD2 3.85Å; L356-L423 HydrophobicContact CD2-CD1 3.42Å; L356-L423 VanDerWaalsContact CD2-CD1 3.42Å; F361-L423 HydrophobicContact CD1-CB 4.3Å; F361-L423 HydrophobicContact CD2-CD1 4.47Å; F361-L423 HydrophobicContact CE1-CB 3.59Å; F361-L423 HydrophobicContact CE1-CD1 4.41Å; F361-L423 HydrophobicContact CE2-CD1 4.38Å; F361-L423 HydrophobicContact CZ-CB 3.71Å; F361-L423 HydrophobicContact CZ-CD1 4.34Å; L387-L423 HydrophobicContact CD1-CD2 3.77Å; L389-L423 HydrophobicContact CD1-CD1 4.26Å; L389-L423 HydrophobicContact CD2-CD2 4.42Å; L403-L423 HydrophobicContact CD1-CD2 3.93Å; L403-L423 HydrophobicContact CD2-CD2 4.4Å; L419-L423 HydrophobicContact CD1-CD1 3.86Å; L419-L423 HydrophobicContact CD1-CD2 4.4Å; L419-L423 HydrophobicContact CD1-CG 3.91Å; L419-L423 HydrophobicContact CG-CD1 3.98Å; L419-L423 HydrophobicContact CG-CG 4.41Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.47Å; N421-L423 PolarHBondContact O-N 2.59Å; L423-E425 VanDerWaalsContact C-N 3.31Å; L423-E425 PolarHBondContact O-N 3.44Å; L423-R426 PolarHBondContact O-N 3.05Å; L423-L427 WeakPolarHBondContact O-CB 3.43Å; L423-L427 VanDerWaalsContact O-CG 3.29Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.29Å |
| 424 | N | 95.1 | Very high | 84.8 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 176.8 | -85 | -39.4 | 0 | 0 | 0 | 112 | F420 N421 R428 | F420-N424 WeakPolarHBondContact O-CB 3.2Å; F420-N424 PolarHBondContact O-N 2.96Å; F420-N424 PolarHBondContact O-ND2 3.06Å; N421-N424 PolarHBondContact O-N 3.18Å; N424-R428 WeakPolarHBondContact O-CB 3.43Å; N424-R428 VanDerWaalsContact O-CG 3.28Å; N424-R428 WeakPolarHBondContact O-CG 2.76Å; N424-R428 PolarHBondContact O-N 2.92Å; N424-R428 VanDerWaalsContact O-N 3.11Å |
| 425 | E | 94.4 | Very high | 81.8 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.3 | -172 | -179.7 | 179 | 0 | 0 | 111.7 | N421 V422 L423 L427 R428 R429 | N421-E425 PolarHBondContact O-N 3.06Å; V422-E425 PolarHBondContact O-N 2.95Å; L423-E425 VanDerWaalsContact C-N 3.31Å; L423-E425 PolarHBondContact O-N 3.44Å; E425-L427 PolarHBondContact O-N 3.32Å; E425-R428 PolarHBondContact O-N 3.15Å; E425-R429 WeakPolarHBondContact O-CG 3.45Å; E425-R429 PolarHBondContact O-N 3.25Å; E425-R429 IonicContact OE1-CZ 2.72Å; E425-R429 IonicContact OE1-NE 3.55Å; E425-R429 IonicContact OE1-NH2 3.14Å; E425-R429 PolarHBondContact OE1-NH2 3.25Å |
| 426 | R | 91.7 | Very high | 81 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.8 | -69.4 | -71.5 | -169.9 | 177.3 | -1.4 | 112.1 | L387 L403 E412 V422 L423 R429 T430 | L387-R426 HydrophobicContact CD1-CB 3.96Å; L387-R426 HydrophobicContact CD2-CB 4.42Å; L403-R426 HydrophobicContact CD2-CG 4.36Å; E412-R426 IonicContact OE1-CZ 3.85Å; E412-R426 IonicContact OE1-NE 2.92Å; E412-R426 PolarHBondContact OE1-NE 3.45Å; E412-R426 IonicContact OE1-NH2 3.68Å; E412-R426 PolarHBondContact OE1-NH2 3.4Å; E412-R426 IonicContact OE2-NH2 2.64Å; E412-R426 PolarHBondContact OE2-NH2 3.19Å; E412-R426 VanDerWaalsContact OE2-NH2 3.14Å; V422-R426 HydrophobicContact CG1-CG 4.25Å; V422-R426 WeakPolarHBondContact O-CB 3.4Å; V422-R426 VanDerWaalsContact O-CG 3.23Å; V422-R426 WeakPolarHBondContact O-CG 3.26Å; V422-R426 PolarHBondContact O-N 2.97Å; L423-R426 PolarHBondContact O-N 3.05Å; R426-R429 PolarHBondContact O-N 2.74Å; R426-T430 PolarHBondContact O-N 3.46Å; R426-T430 PolarHBondContact O-OG1 3.42Å |
| 427 | L | 91 | Very high | 80.3 | Confident | 23 Ų | 23 | 87.8 Ų | 87.8 | 12% | 0.12 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 179.7 | -69 | 167.7 | 0 | 0 | 0 | 111.7 | D335 F361 P386 L387 L423 E425 R429 T430 S431 | D335-L427 HydrophobicContact CB-CD1 3.71Å; D335-L427 HydrophobicContact CB-CD2 3.86Å; D335-L427 HydrophobicContact CB-CG 4.46Å; F361-L427 HydrophobicContact CD1-CD1 3.76Å; F361-L427 HydrophobicContact CE1-CD1 3.8Å; P386-L427 HydrophobicContact CG-CD2 4.05Å; L387-L427 HydrophobicContact CD1-CD2 3.95Å; L387-L427 HydrophobicContact CD1-CG 4.05Å; L423-L427 WeakPolarHBondContact O-CB 3.43Å; L423-L427 VanDerWaalsContact O-CG 3.29Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.29Å; E425-L427 PolarHBondContact O-N 3.32Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.27Å; L427-T430 PolarHBondContact O-N 3.16Å; L427-T430 VanDerWaalsContact O-N 3.16Å; L427-S431 PolarHBondContact O-N 3.28Å; L427-S431 PolarHBondContact O-OG 2.86Å; L427-S431 VanDerWaalsContact O-OG 3.12Å |
| 428 | R | 88 | Confident | 79.5 | Confident | 186 Ų | 186 | 85.5 Ų | 85.5 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 174.5 | -75.6 | 176.5 | -174.5 | -176.2 | 2.8 | 112.9 | N424 E425 T430 S431 T432 | N424-R428 WeakPolarHBondContact O-CB 3.43Å; N424-R428 VanDerWaalsContact O-CG 3.28Å; N424-R428 WeakPolarHBondContact O-CG 2.76Å; N424-R428 PolarHBondContact O-N 2.92Å; N424-R428 VanDerWaalsContact O-N 3.11Å; E425-R428 PolarHBondContact O-N 3.15Å; R428-T430 VanDerWaalsContact C-N 3.34Å; R428-S431 PolarHBondContact O-N 3.39Å; R428-T432 PolarHBondContact O-N 2.95Å; R428-T432 PolarHBondContact O-OG1 3.47Å |
| 429 | R | 80.4 | Confident | 78.6 | Confident | 146 Ų | 146 | 84.7 Ų | 84.7 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -37.8 | 175.3 | -67.4 | -179.1 | -172.5 | -166.3 | 3.3 | 111.8 | E425 R426 L427 T432 | E425-R429 WeakPolarHBondContact O-CG 3.45Å; E425-R429 PolarHBondContact O-N 3.25Å; E425-R429 IonicContact OE1-CZ 2.72Å; E425-R429 IonicContact OE1-NE 3.55Å; E425-R429 IonicContact OE1-NH2 3.14Å; E425-R429 PolarHBondContact OE1-NH2 3.25Å; R426-R429 PolarHBondContact O-N 2.74Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.27Å; R429-T432 PolarHBondContact O-N 2.98Å; R429-T432 PolarHBondContact O-OG1 3.19Å |
| 430 | T | 70.9 | Confident | 77.5 | Confident | 48 Ų | 48 | 89.9 Ų | 89.9 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.9 | -32 | 179.7 | -42.6 | 0 | 0 | 0 | 0 | 112.4 | P386 R426 L427 R428 T432 N434 | P386-T430 HydrophobicContact CB-CG2 4.21Å; R426-T430 PolarHBondContact O-N 3.46Å; R426-T430 PolarHBondContact O-OG1 3.42Å; L427-T430 PolarHBondContact O-N 3.16Å; L427-T430 VanDerWaalsContact O-N 3.16Å; R428-T430 VanDerWaalsContact C-N 3.34Å; T430-T432 VanDerWaalsContact C-N 3.35Å; T430-N434 PolarHBondContact O-ND2 2.99Å |
| 431 | S | 64.5 | Low | 76.2 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.6 | -30.2 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | L427 R428 S435 | L427-S431 PolarHBondContact O-N 3.28Å; L427-S431 PolarHBondContact O-OG 2.86Å; L427-S431 VanDerWaalsContact O-OG 3.12Å; R428-S431 PolarHBondContact O-N 3.39Å; S431-S435 PolarHBondContact O-N 2.69Å; S431-S435 PolarHBondContact O-OG 3.2Å |
| 432 | T | 52.3 | Low | 74.8 | Confident | 93 Ų | 93 | 90.4 Ų | 90.4 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.2 | -25 | -179.8 | 32.3 | 0 | 0 | 0 | 0 | 113.3 | R428 R429 T430 S435 | R428-T432 PolarHBondContact O-N 2.95Å; R428-T432 PolarHBondContact O-OG1 3.47Å; R429-T432 PolarHBondContact O-N 2.98Å; R429-T432 PolarHBondContact O-OG1 3.19Å; T430-T432 VanDerWaalsContact C-N 3.35Å; T432-S435 PolarHBondContact O-OG 2.71Å |
| 433 | D | 48.6 | Very low | 73.1 | Confident | 144 Ų | 144 | 95.2 Ų | 95.2 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.9 | 173.7 | -80.2 | -21.7 | 0 | 0 | 0 | 113.5 | ||
| 434 | N | 43.2 | Very low | 71.2 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 71% | 0.711 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -9.7 | -177.8 | -79 | -37 | 0 | 0 | 0 | 114.4 | T430 | T430-N434 PolarHBondContact O-ND2 2.99Š|
| 435 | S | 34.1 | Very low | 69 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 100% | 1.007 | 55% | 0.546 | S | S | * | . | trans | -91.3 | 0 | 170 | 60.1 | 0 | 0 | 0 | 0 | 110 | S431 T432 | S431-S435 PolarHBondContact O-N 2.69Å; S431-S435 PolarHBondContact O-OG 3.2Å; T432-S435 PolarHBondContact O-OG 2.71Å |
Retrieved 435 of 435 residues in 330.3 ms
(Link to these results)