A0A077ZCY9_TRITR Loading...

TatD DNase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 258 aa.

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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
1M94Very high98.1Very high128 Ų12816 Ų1663%0.6318%0.084SC*.  0135.60171.5174.6-65.700107.4G29 T31 T245M1-G29 CarbonylContact C-O 3.39Å; M1-G29 VanDerWaalsContact CA-O 3.31Å; M1-G29 WeakPolarHBondContact CA-O 3.48Å; M1-T31 WeakPolarHBondContact CG-OG1 3.28Å; M1-T245 HydrophobicContact CG-CG2 4.12Å; M1-T245 HydrophobicContact SD-CG2 4.04Å
2I98.7Very high98Very high3 Ų328.7 Ų28.72%0.01514%0.142CC..EExtended strand (participates in β ladder)trans-133.3134.8175.2-58.9170.8000106.4G29 V30 T31 V200 T222 R223 V226 M237 A241I2-G29 PolarHBondContact N-O 2.95Å; I2-V30 HydrophobicContact CB-CB 4.48Å; I2-V30 HydrophobicContact CB-CG2 3.98Å; I2-V30 HydrophobicContact CD1-CG2 4.23Å; I2-V30 HydrophobicContact CG2-CG2 4.07Å; I2-V30 WeakPolarHBondContact O-CA 3.49Å; I2-T31 PolarHBondContact O-N 2.81Å; I2-V200 HydrophobicContact CG2-CG2 4.47Å; I2-T222 HydrophobicContact CG2-CG2 3.56Å; I2-R223 HydrophobicContact CD1-CB 4.06Å; I2-R223 HydrophobicContact CD1-CG 4.28Å; I2-V226 HydrophobicContact CD1-CG2 4.32Å; I2-V226 HydrophobicContact CG2-CG2 3.99Å; I2-M237 HydrophobicContact CD1-CE 3.61Å; I2-M237 HydrophobicContact CG1-CE 4.45Å; I2-A241 HydrophobicContact CG1-CB 3.9Å
3F98.7Very high97.9Very high2 Ų232.8 Ų32.81%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-96.6121.2169.9-162.2-64.3000109.3E32 A34 Y57 T245 A248 H249 F252 I254F3-E32 WeakPolarHBondContact CA-O 3.29Å; F3-E32 HydrophobicContact CD2-CB 3.54Å; F3-E32 HydrophobicContact CD2-CG 4.46Å; F3-E32 VanDerWaalsContact CD2-OE2 3.3Å; F3-E32 WeakPolarHBondContact CD2-OE2 3.39Å; F3-E32 HydrophobicContact CE2-CB 3.81Å; F3-E32 HydrophobicContact CG-CB 4.11Å; F3-A34 HydrophobicContact CE1-CB 3.92Å; F3-A34 HydrophobicContact CZ-CB 4.34Å; F3-Y57 AromaticContact CE2-CD2 3.98Å; F3-Y57 HydrophobicContact CE2-CD2 3.98Å; F3-Y57 HydrophobicContact CE2-CE2 4.06Å; F3-Y57 AromaticContact CZ-CD2 3.88Å; F3-Y57 HydrophobicContact CZ-CD2 3.88Å; F3-Y57 HydrophobicContact CZ-CE2 4.42Å; F3-T245 HydrophobicContact CB-CG2 4.21Å; F3-T245 PolarHBondContact N-OG1 3.32Å; F3-A248 HydrophobicContact CB-CB 4.06Å; F3-A248 HydrophobicContact CD1-CB 3.83Å; F3-A248 HydrophobicContact CD2-CB 3.9Å; F3-A248 HydrophobicContact CE1-CB 4.3Å; F3-A248 HydrophobicContact CE2-CB 4.34Å; F3-A248 HydrophobicContact CG-CB 3.65Å; F3-H249 AromaticContact CD2-CD2 3.99Å; F3-F252 HydrophobicContact CE1-CD2 4.06Å; F3-F252 AromaticContact CE1-CE2 3.69Å; F3-F252 HydrophobicContact CE1-CE2 3.69Å; F3-F252 HydrophobicContact CE2-CD2 4.44Å; F3-F252 AromaticContact CZ-CD2 3.77Å; F3-F252 HydrophobicContact CZ-CD2 3.77Å; F3-F252 AromaticContact CZ-CE2 3.88Å; F3-F252 HydrophobicContact CZ-CE2 3.88Å; F3-I254 HydrophobicContact CE2-CD1 3.59Å; F3-I254 HydrophobicContact CZ-CD1 3.96Å
4D98.9Very high97.9Very high0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-85.5103.5167.8-176.5-8.6000109.4H6 V30 E32 M33 A34 E201 T202 P219 T222D4-H6 PolarHBondContact O-N 2.82Å; D4-H6 PolarHBondContact OD1-N 3.46Å; D4-H6 VanDerWaalsContact OD1-O 3.12Å; D4-V30 HydrophobicContact CB-CG1 4.01Å; D4-E32 PolarHBondContact N-O 3.41Å; D4-M33 HydrophobicContact CB-CB 3.92Å; D4-M33 CarbonylContact O-C 3.5Å; D4-M33 WeakPolarHBondContact O-CA 3.43Å; D4-A34 PolarHBondContact O-N 3.47Å; D4-E201 WeakPolarHBondContact OD1-CA 3.4Å; D4-T202 PolarHBondContact OD1-N 3.2Å; D4-T202 WeakPolarHBondContact OD2-CB 3.41Å; D4-T202 WeakPolarHBondContact OD2-CG2 3.33Å; D4-T202 PolarHBondContact OD2-OG1 2.82Å; D4-P219 WeakPolarHBondContact OD2-CA 3.49Å; D4-T222 HydrophobicContact CB-CG2 4.36Å; D4-T222 VanDerWaalsContact CB-OG1 3.31Å; D4-T222 WeakPolarHBondContact CB-OG1 3.28Å; D4-T222 PolarHBondContact OD2-OG1 2.98Å
5S98.8Very high97.6Very high1 Ų137.3 Ų37.31%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-75.9-5.9-169.462.70000115.2A34 S173 V200S5-A34 WeakPolarHBondContact O-CB 3.43Å; S5-S173 PolarHBondContact OG-OG 3.35Å; S5-V200 PolarHBondContact N-O 2.67Å; S5-V200 PolarHBondContact OG-O 3.41Å
6H98.8Very high97.5Very high0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-161.2114.4179.1-168.4117.7000110.9D4 H8 E92 H153 E201 T202 D203D4-H6 PolarHBondContact O-N 2.82Å; D4-H6 PolarHBondContact OD1-N 3.46Å; D4-H6 VanDerWaalsContact OD1-O 3.12Å; H6-H8 AromaticContact CD2-NE2 3.88Å; H6-H8 AromaticContact NE2-CE1 3.79Å; H6-H8 AromaticContact NE2-NE2 3.29Å; H6-H8 PolarHBondContact NE2-NE2 2.98Å; H6-E92 IonicContact CE1-OE2 2.81Å; H6-E92 PolarHBondContact CE1-OE2 3.19Å; H6-E92 IonicContact NE2-OE2 3.68Å; H6-E92 PolarHBondContact NE2-OE2 3.14Å; H6-H153 AromaticContact CD2-ND1 3.58Å; H6-H153 AromaticContact CE1-CE1 3.69Å; H6-H153 AromaticContact CE1-CG 3.49Å; H6-H153 VanDerWaalsContact CE1-CG 3.49Å; H6-H153 AromaticContact CE1-ND1 3.24Å; H6-H153 PolarHBondContact CE1-ND1 3.41Å; H6-H153 AromaticContact CG-ND1 3.6Å; H6-H153 AromaticContact ND1-CG 3.58Å; H6-H153 AromaticContact ND1-ND1 3.43Å; H6-H153 PolarHBondContact ND1-ND1 2.66Å; H6-H153 AromaticContact NE2-CE1 3.55Å; H6-H153 AromaticContact NE2-ND1 3.37Å; H6-H153 PolarHBondContact NE2-ND1 2.78Å; H6-E201 HydrophobicContact CB-CB 3.72Å; H6-E201 HydrophobicContact CB-CG 4.08Å; H6-E201 WeakPolarHBondContact CB-OE2 3.31Å; H6-T202 PolarHBondContact O-N 3.33Å; H6-D203 IonicContact CD2-OD1 3.64Å; H6-D203 IonicContact NE2-OD1 2.83Å; H6-D203 PolarHBondContact O-N 3.25Å
7T98.9Very high97.4Very high0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-149.5153176.5-165.80000111.5L9 M33 A34 V35 V36 T202 P219T7-L9 HydrophobicContact CG2-CB 4.47Å; T7-M33 HydrophobicContact CG2-CB 4.05Å; T7-M33 HydrophobicContact CG2-CG 4.27Å; T7-M33 HydrophobicContact CG2-SD 4.14Å; T7-A34 PolarHBondContact N-O 2.91Å; T7-V35 HydrophobicContact CG2-CG2 4.1Å; T7-V35 VanDerWaalsContact O-CA 3.29Å; T7-V35 WeakPolarHBondContact O-CA 3.42Å; T7-V36 PolarHBondContact O-N 3.21Å; T7-T202 PolarHBondContact OG1-OG1 3.06Å; T7-P219 HydrophobicContact CG2-CG 4.46Å
8H98.6Very high97.5Very high10 Ų1042.8 Ų42.85%0.04621%0.212CC..  trans-108.957.6175.7-57-80.6000110.6H6 N10 A11 F14 V36 F38 E92 D203 A204H6-H8 AromaticContact CD2-NE2 3.88Å; H6-H8 AromaticContact NE2-CE1 3.79Å; H6-H8 AromaticContact NE2-NE2 3.29Å; H6-H8 PolarHBondContact NE2-NE2 2.98Å; H8-N10 VanDerWaalsContact C-OD1 3.25Å; H8-N10 WeakPolarHBondContact CA-OD1 3.3Å; H8-N10 PolarHBondContact O-N 3.27Å; H8-N10 VanDerWaalsContact O-N 3.13Å; H8-A11 HydrophobicContact CB-CB 4.23Å; H8-A11 WeakPolarHBondContact O-CB 3.3Å; H8-A11 PolarHBondContact O-N 3.23Å; H8-F14 WeakPolarHBondContact O-CD2 3.28Å; H8-V36 PolarHBondContact ND1-O 3.42Å; H8-F38 AromaticContact CE1-CD1 3.63Å; H8-F38 AromaticContact CE1-CE1 3.65Å; H8-F38 AromaticContact ND1-CD1 3.8Å; H8-F38 AromaticContact ND1-CE1 3.57Å; H8-E92 IonicContact CE1-OE2 3.92Å; H8-E92 IonicContact NE2-OE2 2.67Å; H8-D203 IonicContact CD2-OD1 3.49Å; H8-D203 PolarHBondContact CD2-OD1 3.47Å; H8-D203 IonicContact NE2-OD1 2.63Å; H8-D203 PolarHBondContact NE2-OD1 2.91Å; H8-A204 CarbonylContact C-O 3.09Å; H8-A204 VanDerWaalsContact CA-O 3.27Å; H8-A204 WeakPolarHBondContact CA-O 3.26Å; H8-A204 VanDerWaalsContact CB-O 3.26Å; H8-A204 WeakPolarHBondContact CB-O 3.43Å; H8-A204 PolarHBondContact N-O 2.93Å
9L98.6Very high97.5Very high0 Ų044.3 Ų44.30%023%0.225CC..THydrogen-bonded Turntrans-60.3-18.7173.1-173.962.6000112.7T7 A11 F14 I18 T21 V22 M33 V35 L49 I56 P219T7-L9 HydrophobicContact CG2-CB 4.47Å; L9-A11 VanDerWaalsContact C-N 3.28Å; L9-F14 HydrophobicContact CD1-CB 4.19Å; L9-F14 HydrophobicContact CD1-CD1 4.37Å; L9-F14 HydrophobicContact CD1-CD2 4.23Å; L9-F14 HydrophobicContact CD1-CG 4.03Å; L9-I18 HydrophobicContact CD1-CG2 4.43Å; L9-I18 HydrophobicContact CD2-CG2 4.07Å; L9-I18 HydrophobicContact CG-CG2 4.19Å; L9-T21 HydrophobicContact CD1-CG2 3.67Å; L9-V22 HydrophobicContact CD2-CG2 3.79Å; L9-M33 HydrophobicContact CD2-SD 3.78Å; L9-V35 HydrophobicContact CB-CG1 4.45Å; L9-V35 HydrophobicContact CB-CG2 3.94Å; L9-L49 HydrophobicContact CB-CD1 4.42Å; L9-L49 HydrophobicContact CD2-CD1 4.44Å; L9-L49 HydrophobicContact CG-CD1 4.31Å; L9-I56 HydrophobicContact CD2-CD1 3.84Å; L9-P219 HydrophobicContact CD1-CG 4.32Å
10N98.1Very high97.6Very high17 Ų1747.2 Ų47.29%0.09124%0.237CC..THydrogen-bonded Turntrans-78.6-1.317255.9-13.4000114.4H8 V35 V36 T42 K45 L49H8-N10 VanDerWaalsContact C-OD1 3.25Å; H8-N10 WeakPolarHBondContact CA-OD1 3.3Å; H8-N10 PolarHBondContact O-N 3.27Å; H8-N10 VanDerWaalsContact O-N 3.13Å; N10-V35 HydrophobicContact CB-CG1 3.98Å; N10-V36 PolarHBondContact ND2-O 3.03Å; N10-V36 PolarHBondContact OD1-O 3.22Å; N10-T42 WeakPolarHBondContact ND2-CB 3.38Å; N10-T42 PolarHBondContact ND2-O 3.27Å; N10-K45 HydrophobicContact CB-CB 3.79Å; N10-K45 HydrophobicContact CB-CG 3.58Å; N10-L49 HydrophobicContact CB-CD1 4.23Å
11A97.6Very high97.6Very high15 Ų1545 Ų4512%0.12423%0.226CC..SBendtrans-73.6149177.100000111.9H8 L9 Q13 F14 P205H8-A11 HydrophobicContact CB-CB 4.23Å; H8-A11 WeakPolarHBondContact O-CB 3.3Å; H8-A11 PolarHBondContact O-N 3.23Å; L9-A11 VanDerWaalsContact C-N 3.28Å; A11-Q13 PolarHBondContact O-N 2.96Å; A11-F14 PolarHBondContact O-N 2.95Å; A11-P205 HydrophobicContact CB-CG 4.2Å
12E96.5Very high97.8Very high168 Ų16840.2 Ų40.279%0.78520%0.204SC*.G310 helixtrans-53.7-29.9-177.5-63.5-177.4167.900113.1F14 E15E12-F14 PolarHBondContact O-N 3.01Å; E12-E15 WeakPolarHBondContact O-CB 3.33Å; E12-E15 PolarHBondContact O-N 3.11Å; E12-E15 VanDerWaalsContact O-N 3.12Å
13Q96.9Very high97.8Very high82 Ų8243.6 Ų43.638%0.38322%0.22SC..G310 helixtrans-60-16.2177.7-6289.1-28.300113.6A11 P205 R216A11-Q13 PolarHBondContact O-N 2.96Å; Q13-P205 HydrophobicContact CB-CB 4.26Å; Q13-P205 HydrophobicContact CB-CG 4.32Å; Q13-P205 HydrophobicContact CG-CB 4.44Å; Q13-P205 HydrophobicContact CG-CG 4.21Å; Q13-R216 PolarHBondContact O-NH1 3.01Å
14F97.9Very high97.8Very high1 Ų146.7 Ų46.70%0.00423%0.232CC..G310 helixtrans-111.8-6.8178-62-66.3000113.9H8 L9 A11 E12 N16 E17 I18 T21 A204 P205 N217H8-F14 WeakPolarHBondContact O-CD2 3.28Å; L9-F14 HydrophobicContact CD1-CB 4.19Å; L9-F14 HydrophobicContact CD1-CD1 4.37Å; L9-F14 HydrophobicContact CD1-CD2 4.23Å; L9-F14 HydrophobicContact CD1-CG 4.03Å; A11-F14 PolarHBondContact O-N 2.95Å; E12-F14 PolarHBondContact O-N 3.01Å; F14-N16 PolarHBondContact O-N 2.99Å; F14-E17 CarbonylContact O-C 3.45Å; F14-E17 PolarHBondContact O-N 2.94Å; F14-I18 HydrophobicContact CB-CG1 4.22Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 3.48Å; F14-I18 VanDerWaalsContact O-N 3.15Å; F14-T21 HydrophobicContact CD1-CG2 3.94Å; F14-T21 HydrophobicContact CE1-CG2 3.93Å; F14-A204 HydrophobicContact CE2-CB 4.46Å; F14-A204 HydrophobicContact CZ-CB 4.16Å; F14-P205 HydrophobicContact CE2-CB 3.75Å; F14-P205 HydrophobicContact CE2-CG 4.22Å; F14-P205 HydrophobicContact CZ-CB 3.86Å; F14-N217 WeakPolarHBondContact CZ-O 3.49Å
15E93.2Very high97.8Very high132 Ų13246.8 Ų46.862%0.61723%0.232SC*.THydrogen-bonded Turntrans-47.6-41.3-165.4-174.1-179-161.800114.1E12E12-E15 WeakPolarHBondContact O-CB 3.33Å; E12-E15 PolarHBondContact O-N 3.11Å; E12-E15 VanDerWaalsContact O-N 3.12Å
16N95.4Very high97.8Very high150 Ų15053.2 Ų53.280%0.80226%0.256SS*.THydrogen-bonded Turntrans-98.77.8-175.1-62.5-67.6000114.4F14F14-N16 PolarHBondContact O-N 2.99Å
17E96.8Very high97.8Very high52 Ų5259.9 Ų59.924%0.24329%0.288CS..  trans-145.722.7-176.465.9173.2126.900113.8F14 E20 T21 R24 R216F14-E17 CarbonylContact O-C 3.45Å; F14-E17 PolarHBondContact O-N 2.94Å; E17-E20 VanDerWaalsContact CA-OE2 3.28Å; E17-E20 WeakPolarHBondContact CA-OE2 3.47Å; E17-E20 PolarHBondContact O-N 2.96Å; E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.27Å; E17-T21 PolarHBondContact O-OG1 2.97Å; E17-R24 IonicContact OE2-CZ 3.06Å; E17-R24 IonicContact OE2-NH1 3.03Å; E17-R24 IonicContact OE2-NH2 3.14Å; E17-R24 PolarHBondContact OE2-NH2 3.09Å; E17-R216 IonicContact OE1-CZ 3.89Å; E17-R216 IonicContact OE1-NH1 3.77Å; E17-R216 PolarHBondContact OE1-NH1 3.23Å; E17-R216 IonicContact OE1-NH2 2.86Å; E17-R216 PolarHBondContact OE1-NH2 3.34Å; E17-R216 IonicContact OE2-NH2 2.78Å; E17-R216 PolarHBondContact OE2-NH2 2.83Å
18I98.2Very high97.7Very high10 Ų1061.9 Ų61.95%0.05130%0.298CS..Hα-helixtrans-56.4-49.3179.3-60-173.3000111.5L9 F14 E20 T21 V22 L49 Y53L9-I18 HydrophobicContact CD1-CG2 4.43Å; L9-I18 HydrophobicContact CD2-CG2 4.07Å; L9-I18 HydrophobicContact CG-CG2 4.19Å; F14-I18 HydrophobicContact CB-CG1 4.22Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 3.48Å; F14-I18 VanDerWaalsContact O-N 3.15Å; I18-E20 VanDerWaalsContact C-N 3.33Å; I18-E20 PolarHBondContact O-N 2.9Å; I18-T21 PolarHBondContact O-N 3.32Å; I18-V22 HydrophobicContact CG2-CG2 4.33Å; I18-V22 WeakPolarHBondContact O-CG2 3.29Å; I18-V22 PolarHBondContact O-N 3.39Å; I18-L49 HydrophobicContact CD1-CD1 4.44Å; I18-L49 HydrophobicContact CD1-CD2 3.87Å; I18-L49 HydrophobicContact CG2-CD2 3.68Å; I18-Y53 HydrophobicContact CG2-CE2 4.22Å
19P98.2Very high97.7Very high71 Ų7162.5 Ų62.546%0.46131%0.307SS..Hα-helixtrans-58-44179.2-23.234.3000112.8V22 E23P19-V22 PolarHBondContact O-N 2.91Å; P19-E23 WeakPolarHBondContact O-CB 3.48Å; P19-E23 PolarHBondContact O-N 2.92Å
20E98.5Very high97.7Very high102 Ų10262.6 Ų62.648%0.47731%0.307SS..Hα-helixtrans-68-36.3178.8-63.480.3178.700111.6E17 I18 E23 R24E17-E20 VanDerWaalsContact CA-OE2 3.28Å; E17-E20 WeakPolarHBondContact CA-OE2 3.47Å; E17-E20 PolarHBondContact O-N 2.96Å; I18-E20 VanDerWaalsContact C-N 3.33Å; I18-E20 PolarHBondContact O-N 2.9Å; E20-E23 PolarHBondContact O-N 2.86Å; E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.89Å; E20-R24 PolarHBondContact O-NH1 3.21Å
21T98.6Very high97.7Very high1 Ų164.4 Ų64.41%0.00632%0.319CS..Hα-helixtrans-67.1-42.8177.2-59.20000111.2L9 F14 E17 I18 E23 R24 A25 P219L9-T21 HydrophobicContact CD1-CG2 3.67Å; F14-T21 HydrophobicContact CD1-CG2 3.94Å; F14-T21 HydrophobicContact CE1-CG2 3.93Å; E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.27Å; E17-T21 PolarHBondContact O-OG1 2.97Å; I18-T21 PolarHBondContact O-N 3.32Å; T21-E23 VanDerWaalsContact C-N 3.32Å; T21-E23 PolarHBondContact O-N 2.85Å; T21-R24 PolarHBondContact O-N 2.69Å; T21-R24 PolarHBondContact OG1-NH2 2.94Å; T21-A25 WeakPolarHBondContact O-CB 3.45Å; T21-A25 PolarHBondContact O-N 3.43Å; T21-P219 HydrophobicContact CG2-CG 4.21Å
22V98.6Very high97.8Very high28 Ų2864.7 Ų64.717%0.1732%0.318CS..Hα-helixtrans-62.8-41.2174.8172.90000110.7L9 I18 P19 A25 R26 Y53 I56L9-V22 HydrophobicContact CD2-CG2 3.79Å; I18-V22 HydrophobicContact CG2-CG2 4.33Å; I18-V22 WeakPolarHBondContact O-CG2 3.29Å; I18-V22 PolarHBondContact O-N 3.39Å; P19-V22 PolarHBondContact O-N 2.91Å; V22-A25 WeakPolarHBondContact O-CB 3.45Å; V22-A25 PolarHBondContact O-N 3.43Å; V22-R26 PolarHBondContact O-N 3.14Å; V22-Y53 HydrophobicContact CB-CE1 4.33Å; V22-Y53 HydrophobicContact CG1-CD1 4.06Å; V22-Y53 HydrophobicContact CG1-CE1 4.15Å; V22-Y53 HydrophobicContact CG2-CD1 4.47Å; V22-Y53 HydrophobicContact CG2-CE1 4.23Å; V22-I56 HydrophobicContact CG2-CD1 4.17Å
23E98.5Very high97.9Very high74 Ų7456.9 Ų56.935%0.34628%0.282SS..Hα-helixtrans-66.3-43.8177.9-175.260.4-171.300112.3P19 E20 T21 A25 R26 E27P19-E23 WeakPolarHBondContact O-CB 3.48Å; P19-E23 PolarHBondContact O-N 2.92Å; E20-E23 PolarHBondContact O-N 2.86Å; T21-E23 VanDerWaalsContact C-N 3.32Å; T21-E23 PolarHBondContact O-N 2.85Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.39Å; E23-R26 WeakPolarHBondContact O-CB 3.25Å; E23-R26 PolarHBondContact O-N 3.5Å; E23-R26 VanDerWaalsContact O-N 3.1Å; E23-R26 IonicContact OE1-CZ 3.7Å; E23-R26 IonicContact OE1-NE 3.5Å; E23-R26 PolarHBondContact OE1-NE 2.98Å; E23-R26 IonicContact OE1-NH2 2.83Å; E23-R26 PolarHBondContact OE1-NH2 3.32Å; E23-R26 IonicContact OE2-CZ 3.86Å; E23-R26 IonicContact OE2-NE 2.81Å; E23-R26 PolarHBondContact OE2-NE 3.43Å; E23-R26 IonicContact OE2-NH2 2.72Å; E23-E27 WeakPolarHBondContact O-CG 3.46Å; E23-E27 PolarHBondContact O-N 3.31Å
24R98.5Very high98Very high67 Ų6753 Ų5325%0.25326%0.263SS..Hα-helixtrans-60.3-37.6173.4-72.3-169.4-54.9-90.516.8112.3E17 E20 T21 E27 L28 E218E17-R24 IonicContact OE2-CZ 3.06Å; E17-R24 IonicContact OE2-NH1 3.03Å; E17-R24 IonicContact OE2-NH2 3.14Å; E17-R24 PolarHBondContact OE2-NH2 3.09Å; E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.89Å; E20-R24 PolarHBondContact O-NH1 3.21Å; T21-R24 PolarHBondContact O-N 2.69Å; T21-R24 PolarHBondContact OG1-NH2 2.94Å; R24-E27 PolarHBondContact O-N 3.13Å; R24-L28 PolarHBondContact O-N 3.13Å; R24-E218 IonicContact CZ-OE1 3.23Å; R24-E218 IonicContact CZ-OE2 3.19Å; R24-E218 IonicContact NE-OE1 3.26Å; R24-E218 IonicContact NE-OE2 3.57Å; R24-E218 PolarHBondContact NE-OE2 2.67Å; R24-E218 IonicContact NH2-OE1 3.76Å; R24-E218 PolarHBondContact NH2-OE1 3.21Å; R24-E218 IonicContact NH2-OE2 3.69Å
25A98.7Very high98Very high1 Ų153 Ų531%0.00826%0.263CS..Hα-helixtrans-62.5-45.2173.900000111.2T21 V22 E23 E27 L28 G29 V30 M33 P219T21-A25 WeakPolarHBondContact O-CB 3.45Å; T21-A25 PolarHBondContact O-N 3.43Å; V22-A25 WeakPolarHBondContact O-CB 3.45Å; V22-A25 PolarHBondContact O-N 3.43Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.39Å; A25-E27 PolarHBondContact O-N 2.89Å; A25-L28 CarbonylContact O-C 3.53Å; A25-L28 PolarHBondContact O-N 3.26Å; A25-L28 VanDerWaalsContact O-N 3.1Å; A25-G29 PolarHBondContact O-N 3.43Å; A25-V30 CarbonylContact C-O 3.57Å; A25-V30 HydrophobicContact CB-CB 4.16Å; A25-V30 HydrophobicContact CB-CG1 4.46Å; A25-V30 WeakPolarHBondContact O-CB 3.25Å; A25-V30 PolarHBondContact O-N 3.39Å; A25-V30 VanDerWaalsContact O-O 3.11Å; A25-M33 HydrophobicContact CB-CE 4.2Å; A25-P219 HydrophobicContact CB-CB 4.26Å
26R98.4Very high98.3Very high136 Ų13646.7 Ų46.751%0.51323%0.234SC..Hα-helixtrans-60-43.1177.7-165.3-173.271.275.10.5112.2V22 E23 L28 G29 V30 T31V22-R26 PolarHBondContact O-N 3.14Å; E23-R26 WeakPolarHBondContact O-CB 3.25Å; E23-R26 PolarHBondContact O-N 3.5Å; E23-R26 VanDerWaalsContact O-N 3.1Å; E23-R26 IonicContact OE1-CZ 3.7Å; E23-R26 IonicContact OE1-NE 3.5Å; E23-R26 PolarHBondContact OE1-NE 2.98Å; E23-R26 IonicContact OE1-NH2 2.83Å; E23-R26 PolarHBondContact OE1-NH2 3.32Å; E23-R26 IonicContact OE2-CZ 3.86Å; E23-R26 IonicContact OE2-NE 2.81Å; E23-R26 PolarHBondContact OE2-NE 3.43Å; E23-R26 IonicContact OE2-NH2 2.72Å; R26-L28 PolarHBondContact O-N 3.4Å; R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 2.87Å; R26-V30 WeakPolarHBondContact CA-O 3.35Å; R26-V30 PolarHBondContact N-O 3.22Å; R26-T31 HydrophobicContact CG-CG2 4.19Å
27E98.5Very high98.5Very high141 Ų14139.5 Ų39.566%0.65920%0.196SC*.Hα-helixtrans-60.8-32.2175.9-71.6179.3162.600112.8E23 R24 A25 G29E23-E27 WeakPolarHBondContact O-CG 3.46Å; E23-E27 PolarHBondContact O-N 3.31Å; R24-E27 PolarHBondContact O-N 3.13Å; A25-E27 PolarHBondContact O-N 2.89Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 3.27Å
28L98.2Very high98.5Very high42 Ų4239.2 Ų39.222%0.2219%0.194CC..THydrogen-bonded Turntrans-83.91.7175-68.1171.5000113.5R24 A25 R26 G220 Y221 R223R24-L28 PolarHBondContact O-N 3.13Å; A25-L28 CarbonylContact O-C 3.53Å; A25-L28 PolarHBondContact O-N 3.26Å; A25-L28 VanDerWaalsContact O-N 3.1Å; R26-L28 PolarHBondContact O-N 3.4Å; L28-G220 WeakPolarHBondContact CD1-O 3.3Å; L28-Y221 HydrophobicContact CD1-CD1 4.11Å; L28-Y221 HydrophobicContact CD1-CE1 4.4Å; L28-R223 HydrophobicContact CB-CB 4.44Å
29G98.3Very high98.5Very high23 Ų2340.3 Ų40.324%0.23720%0.199CC..THydrogen-bonded Turntrans87.25.1178.700000114.7M1 I2 A25 R26 E27M1-G29 CarbonylContact C-O 3.39Å; M1-G29 VanDerWaalsContact CA-O 3.31Å; M1-G29 WeakPolarHBondContact CA-O 3.48Å; I2-G29 PolarHBondContact N-O 2.95Å; A25-G29 PolarHBondContact O-N 3.43Å; R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 2.87Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 3.27Å
30V98.7Very high98.5Very high1 Ų139.4 Ų39.41%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-87.3103.4173.2-175.90000108.2I2 D4 A25 R26I2-V30 HydrophobicContact CB-CB 4.48Å; I2-V30 HydrophobicContact CB-CG2 3.98Å; I2-V30 HydrophobicContact CD1-CG2 4.23Å; I2-V30 HydrophobicContact CG2-CG2 4.07Å; I2-V30 WeakPolarHBondContact O-CA 3.49Å; D4-V30 HydrophobicContact CB-CG1 4.01Å; A25-V30 CarbonylContact C-O 3.57Å; A25-V30 HydrophobicContact CB-CB 4.16Å; A25-V30 HydrophobicContact CB-CG1 4.46Å; A25-V30 WeakPolarHBondContact O-CB 3.25Å; A25-V30 PolarHBondContact O-N 3.39Å; A25-V30 VanDerWaalsContact O-O 3.11Å; R26-V30 WeakPolarHBondContact CA-O 3.35Å; R26-V30 PolarHBondContact N-O 3.22Å
31T98.1Very high98.5Very high55 Ų5538.5 Ų38.534%0.33720%0.196SC..EExtended strand (participates in β ladder)trans-112.7-11.1-173.1580000113M1 I2 R26M1-T31 WeakPolarHBondContact CG-OG1 3.28Å; I2-T31 PolarHBondContact O-N 2.81Å; R26-T31 HydrophobicContact CG-CG2 4.19Å
32E98.7Very high98.5Very high22 Ų2239.3 Ų39.310%0.10320%0.201CC..EExtended strand (participates in β ladder)trans-133.3145.7176.8-64.5176.6148.200110F3 D4 G55 H249F3-E32 WeakPolarHBondContact CA-O 3.29Å; F3-E32 HydrophobicContact CD2-CB 3.54Å; F3-E32 HydrophobicContact CD2-CG 4.46Å; F3-E32 VanDerWaalsContact CD2-OE2 3.3Å; F3-E32 WeakPolarHBondContact CD2-OE2 3.39Å; F3-E32 HydrophobicContact CE2-CB 3.81Å; F3-E32 HydrophobicContact CG-CB 4.11Å; D4-E32 PolarHBondContact N-O 3.41Å; E32-G55 CarbonylContact C-O 3.55Å; E32-G55 WeakPolarHBondContact CA-O 3.43Å; E32-H249 IonicContact OE1-NE2 2.68Å; E32-H249 PolarHBondContact OE1-NE2 3.47Å; E32-H249 IonicContact OE2-CD2 3.28Å; E32-H249 IonicContact OE2-CE1 3.03Å; E32-H249 IonicContact OE2-NE2 2.83Å; E32-H249 PolarHBondContact OE2-NE2 3.28Å
33M98.7Very high98.5Very high4 Ų438.2 Ų38.22%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-152.9150.7178.262.8-168.374.100112.1D4 T7 L9 A25 V35 G55 I56 Y57 P219D4-M33 HydrophobicContact CB-CB 3.92Å; D4-M33 CarbonylContact O-C 3.5Å; D4-M33 WeakPolarHBondContact O-CA 3.43Å; T7-M33 HydrophobicContact CG2-CB 4.05Å; T7-M33 HydrophobicContact CG2-CG 4.27Å; T7-M33 HydrophobicContact CG2-SD 4.14Å; L9-M33 HydrophobicContact CD2-SD 3.78Å; A25-M33 HydrophobicContact CB-CE 4.2Å; M33-V35 HydrophobicContact CG-CG2 4.3Å; M33-G55 PolarHBondContact N-O 3.06Å; M33-I56 HydrophobicContact CG-CD1 4.46Å; M33-I56 HydrophobicContact CG-CG1 3.84Å; M33-I56 WeakPolarHBondContact O-CA 3.39Å; M33-I56 HydrophobicContact SD-CD1 4.21Å; M33-I56 HydrophobicContact SD-CG1 4.19Å; M33-Y57 PolarHBondContact O-N 3.01Å; M33-P219 HydrophobicContact CE-CB 4.03Å; M33-P219 HydrophobicContact SD-CB 4.15Å; M33-P219 HydrophobicContact SD-CG 4.31Å
34A98.9Very high98.5Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-102.9110.2170.700000110.1F3 D4 S5 T7 Y57 I59 F252F3-A34 HydrophobicContact CE1-CB 3.92Å; F3-A34 HydrophobicContact CZ-CB 4.34Å; D4-A34 PolarHBondContact O-N 3.47Å; S5-A34 WeakPolarHBondContact O-CB 3.43Å; T7-A34 PolarHBondContact N-O 2.91Å; A34-Y57 CarbonylContact C-O 3.59Å; A34-Y57 WeakPolarHBondContact CA-O 3.32Å; A34-I59 HydrophobicContact CB-CD1 3.67Å; A34-I59 HydrophobicContact CB-CG1 3.95Å; A34-F252 HydrophobicContact CB-CE2 4.21Å; A34-F252 HydrophobicContact CB-CZ 4.37Å
35V98.9Very high98.5Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-86.9125.4178-179.30000109.5T7 L9 N10 M33 L49 I56 Y57 S58 I59T7-V35 HydrophobicContact CG2-CG2 4.1Å; T7-V35 VanDerWaalsContact O-CA 3.29Å; T7-V35 WeakPolarHBondContact O-CA 3.42Å; L9-V35 HydrophobicContact CB-CG1 4.45Å; L9-V35 HydrophobicContact CB-CG2 3.94Å; N10-V35 HydrophobicContact CB-CG1 3.98Å; M33-V35 HydrophobicContact CG-CG2 4.3Å; V35-L49 HydrophobicContact CG1-CD1 4.28Å; V35-I56 HydrophobicContact CB-CG2 4.29Å; V35-I56 HydrophobicContact CG2-CG2 3.6Å; V35-Y57 PolarHBondContact N-O 3.08Å; V35-S58 WeakPolarHBondContact O-CA 3.44Å; V35-I59 PolarHBondContact O-N 3.05Å
36V98.9Very high98.5Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-95.2122-172.9176.30000110.8T7 H8 N10 F38 I59 E92T7-V36 PolarHBondContact O-N 3.21Å; H8-V36 PolarHBondContact ND1-O 3.42Å; N10-V36 PolarHBondContact ND2-O 3.03Å; N10-V36 PolarHBondContact OD1-O 3.22Å; V36-F38 HydrophobicContact CG1-CD1 4.42Å; V36-I59 CarbonylContact C-O 3.53Å; V36-I59 WeakPolarHBondContact CA-O 3.27Å; V36-I59 HydrophobicContact CG2-CB 4.18Å; V36-E92 HydrophobicContact CG1-CB 3.55Å
37G98.8Very high98.5Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-106.8125.8168.600000110.7I59 I60 G61G37-I59 PolarHBondContact N-O 3.07Å; G37-I60 VanDerWaalsContact O-CA 3.31Å; G37-I60 WeakPolarHBondContact O-CA 3.45Å; G37-G61 PolarHBondContact O-N 2.92Å
38F97.8Very high98.5Very high46 Ų4631.4 Ų31.420%0.20217%0.17CC..  trans-129.40.2-170.163.2-110.5000114H8 V36 T42 G61 W62 H63H8-F38 AromaticContact CE1-CD1 3.63Å; H8-F38 AromaticContact CE1-CE1 3.65Å; H8-F38 AromaticContact ND1-CD1 3.8Å; H8-F38 AromaticContact ND1-CE1 3.57Å; V36-F38 HydrophobicContact CG1-CD1 4.42Å; F38-T42 HydrophobicContact CE1-CG2 4.14Å; F38-T42 HydrophobicContact CE2-CG2 4.25Å; F38-T42 HydrophobicContact CZ-CG2 3.9Å; F38-T42 PolarHBondContact N-OG1 2.64Å; F38-G61 CarbonylContact C-O 3.59Å; F38-G61 WeakPolarHBondContact CA-O 3.43Å; F38-W62 WeakPolarHBondContact O-CA 3.49Å; F38-H63 HydrophobicContact CB-CB 3.9Å; F38-H63 HydrophobicContact CD2-CB 3.94Å; F38-H63 HydrophobicContact CG-CB 4.14Å; F38-H63 PolarHBondContact O-N 2.78Å
39D97.9Very high98.5Very high32 Ų3229.4 Ų29.417%0.17116%0.16CC..SBendtrans-147.9177.1170.370.13000109.2P41 T42 I43 E66D39-P41 WeakPolarHBondContact OD1-CD 3.29Å; D39-T42 PolarHBondContact N-OG1 2.82Å; D39-T42 PolarHBondContact O-N 3.45Å; D39-T42 PolarHBondContact O-OG1 2.93Å; D39-T42 WeakPolarHBondContact OD1-CB 3.35Å; D39-T42 WeakPolarHBondContact OD1-CG2 3.39Å; D39-T42 PolarHBondContact OD1-N 2.93Å; D39-T42 PolarHBondContact OD1-OG1 3.31Å; D39-I43 WeakPolarHBondContact O-CB 3.48Å; D39-I43 VanDerWaalsContact O-CD1 3.28Å; D39-I43 WeakPolarHBondContact O-CD1 3.43Å; D39-I43 WeakPolarHBondContact O-CG1 3.27Å; D39-I43 PolarHBondContact O-N 3.19Å; D39-E66 HydrophobicContact CB-CG 4.23Å
40T98Very high98.5Very high53 Ų5328.6 Ų28.633%0.32515%0.15SC..Hα-helixtrans-56.7-53.8-177.4-60.80000113.4T42 I43 E44 W62T40-T42 PolarHBondContact O-N 3.11Å; T40-I43 PolarHBondContact O-N 2.98Å; T40-E44 HydrophobicContact CG2-CG 4.44Å; T40-E44 WeakPolarHBondContact CG2-OE1 3.37Å; T40-E44 WeakPolarHBondContact O-CG 3.3Å; T40-E44 PolarHBondContact O-N 3Å; T40-W62 WeakPolarHBondContact OG1-CH2 3.19Å
41P98Very high98.5Very high83 Ų8335.8 Ų35.854%0.53918%0.183SC..Hα-helixtrans-60-44.4-179.2-24.934.9000113.8D39 E44 K45D39-P41 WeakPolarHBondContact OD1-CD 3.29Å; P41-E44 PolarHBondContact O-N 2.77Å; P41-K45 WeakPolarHBondContact O-CB 3.32Å; P41-K45 PolarHBondContact O-N 3.44Å
42T98.6Very high98.5Very high18 Ų1839 Ų3911%0.1120%0.195CC..Hα-helixtrans-71.2-35.2-177.960.40000111.6N10 F38 D39 T40 S46N10-T42 WeakPolarHBondContact ND2-CB 3.38Å; N10-T42 PolarHBondContact ND2-O 3.27Å; F38-T42 HydrophobicContact CE1-CG2 4.14Å; F38-T42 HydrophobicContact CE2-CG2 4.25Å; F38-T42 HydrophobicContact CZ-CG2 3.9Å; F38-T42 PolarHBondContact N-OG1 2.64Å; D39-T42 PolarHBondContact N-OG1 2.82Å; D39-T42 PolarHBondContact O-N 3.45Å; D39-T42 PolarHBondContact O-OG1 2.93Å; D39-T42 WeakPolarHBondContact OD1-CB 3.35Å; D39-T42 WeakPolarHBondContact OD1-CG2 3.39Å; D39-T42 PolarHBondContact OD1-N 2.93Å; D39-T42 PolarHBondContact OD1-OG1 3.31Å; T40-T42 PolarHBondContact O-N 3.11Å; T42-S46 WeakPolarHBondContact O-CB 3.4Å; T42-S46 PolarHBondContact O-N 3.49Å
43I98.9Very high98.5Very high4 Ų440 Ų402%0.02120%0.198CC..Hα-helixtrans-60.5-53.8171.9-71.2167.7000110.1D39 T40 K45 S46 L47 I60 G61 W62 L78 K81D39-I43 WeakPolarHBondContact O-CB 3.48Å; D39-I43 VanDerWaalsContact O-CD1 3.28Å; D39-I43 WeakPolarHBondContact O-CD1 3.43Å; D39-I43 WeakPolarHBondContact O-CG1 3.27Å; D39-I43 PolarHBondContact O-N 3.19Å; T40-I43 PolarHBondContact O-N 2.98Å; I43-K45 VanDerWaalsContact C-N 3.28Å; I43-K45 PolarHBondContact O-N 2.86Å; I43-S46 PolarHBondContact O-N 3.48Å; I43-S46 VanDerWaalsContact O-N 3.14Å; I43-S46 PolarHBondContact O-OG 3.11Å; I43-L47 HydrophobicContact CG2-CD1 3.98Å; I43-L47 HydrophobicContact CG2-CG 4.46Å; I43-L47 WeakPolarHBondContact O-CG 3.24Å; I43-L47 PolarHBondContact O-N 3.26Å; I43-I60 HydrophobicContact CB-CG2 4.48Å; I43-I60 HydrophobicContact CG1-CB 4.05Å; I43-I60 HydrophobicContact CG1-CG2 4.22Å; I43-I60 HydrophobicContact CG2-CB 4.27Å; I43-I60 HydrophobicContact CG2-CD1 4.34Å; I43-I60 HydrophobicContact CG2-CG2 4.04Å; I43-G61 WeakPolarHBondContact CD1-O 3.3Å; I43-W62 HydrophobicContact CD1-CE3 4.18Å; I43-W62 HydrophobicContact CD1-CZ3 4.06Å; I43-L78 HydrophobicContact CD1-CD1 4.11Å; I43-K81 HydrophobicContact CG2-CD 3.8Å
44E98.7Very high98.3Very high95 Ų9546.9 Ų46.944%0.44423%0.23SC..Hα-helixtrans-56.8-45.7-179.4-73.7175.8174.800110.9T40 P41 S46 L47 E48 K81T40-E44 HydrophobicContact CG2-CG 4.44Å; T40-E44 WeakPolarHBondContact CG2-OE1 3.37Å; T40-E44 WeakPolarHBondContact O-CG 3.3Å; T40-E44 PolarHBondContact O-N 3Å; P41-E44 PolarHBondContact O-N 2.77Å; E44-S46 PolarHBondContact O-N 2.96Å; E44-L47 PolarHBondContact O-N 3.25Å; E44-E48 PolarHBondContact O-N 3.33Å; E44-K81 IonicContact OE1-NZ 3.37Å
45K98.6Very high98.2Very high68 Ų6847.7 Ų47.730%0.29624%0.238SC..Hα-helixtrans-65.8-38.6178.3-170.359.4176.4-179.20113.1N10 P41 I43 L47 E48 L49N10-K45 HydrophobicContact CB-CB 3.79Å; N10-K45 HydrophobicContact CB-CG 3.58Å; P41-K45 WeakPolarHBondContact O-CB 3.32Å; P41-K45 PolarHBondContact O-N 3.44Å; I43-K45 VanDerWaalsContact C-N 3.28Å; I43-K45 PolarHBondContact O-N 2.86Å; K45-L47 VanDerWaalsContact C-N 3.27Å; K45-L47 PolarHBondContact O-N 3.24Å; K45-E48 VanDerWaalsContact CD-OE2 3.26Å; K45-E48 WeakPolarHBondContact CD-OE2 3.47Å; K45-E48 IonicContact NZ-OE2 3.33Å; K45-E48 PolarHBondContact NZ-OE2 3.37Å; K45-E48 PolarHBondContact O-N 3.27Å; K45-L49 HydrophobicContact CG-CD1 4.4Å; K45-L49 VanDerWaalsContact O-CG 3.28Å; K45-L49 WeakPolarHBondContact O-CG 3.22Å; K45-L49 PolarHBondContact O-N 3.03Å; K45-L49 VanDerWaalsContact O-N 3.09Å
46S98.8Very high98.2Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-61.9-38.2175.388.80000111.5T42 I43 E44 L49 N50 S58T42-S46 WeakPolarHBondContact O-CB 3.4Å; T42-S46 PolarHBondContact O-N 3.49Å; I43-S46 PolarHBondContact O-N 3.48Å; I43-S46 VanDerWaalsContact O-N 3.14Å; I43-S46 PolarHBondContact O-OG 3.11Å; E44-S46 PolarHBondContact O-N 2.96Å; S46-L49 PolarHBondContact O-N 2.94Å; S46-N50 PolarHBondContact O-N 2.78Å; S46-S58 PolarHBondContact O-OG 3.21Å; S46-S58 VanDerWaalsContact O-OG 3.09Å; S46-S58 PolarHBondContact OG-OG 3.08Å
47L98.8Very high98.2Very high11 Ų1149 Ų496%0.05824%0.244CC..Hα-helixtrans-70.2-37180-66.5173.5000111.6I43 E44 K45 N50 Q51 K81 L84 V87I43-L47 HydrophobicContact CG2-CD1 3.98Å; I43-L47 HydrophobicContact CG2-CG 4.46Å; I43-L47 WeakPolarHBondContact O-CG 3.24Å; I43-L47 PolarHBondContact O-N 3.26Å; E44-L47 PolarHBondContact O-N 3.25Å; K45-L47 VanDerWaalsContact C-N 3.27Å; K45-L47 PolarHBondContact O-N 3.24Å; L47-N50 PolarHBondContact O-OD1 3.03Å; L47-Q51 WeakPolarHBondContact O-CG 3.5Å; L47-Q51 PolarHBondContact O-N 2.93Å; L47-Q51 PolarHBondContact O-NE2 3.2Å; L47-K81 HydrophobicContact CD1-CB 4.26Å; L47-K81 HydrophobicContact CD1-CD 3.99Å; L47-K81 HydrophobicContact CD1-CG 4.02Å; L47-L84 HydrophobicContact CD1-CD1 3.98Å; L47-L84 HydrophobicContact CD2-CD1 4.18Å; L47-V87 HydrophobicContact CD2-CG2 3.5Å; L47-V87 VanDerWaalsContact CD2-CG2 3.5Å
48E98.5Very high98.2Very high102 Ų10249 Ų4948%0.47724%0.244SC..Hα-helixtrans-59.9-47.7170.6-70.3176.6-17800111.2E44 K45 N50 Q51 Q52E44-E48 PolarHBondContact O-N 3.33Å; K45-E48 VanDerWaalsContact CD-OE2 3.26Å; K45-E48 WeakPolarHBondContact CD-OE2 3.47Å; K45-E48 IonicContact NZ-OE2 3.33Å; K45-E48 PolarHBondContact NZ-OE2 3.37Å; K45-E48 PolarHBondContact O-N 3.27Å; E48-N50 PolarHBondContact O-N 2.86Å; E48-Q51 PolarHBondContact O-N 3.16Å; E48-Q52 PolarHBondContact O-N 3.47Å; E48-Q52 VanDerWaalsContact O-N 3.07Å
49L98.6Very high98.3Very high1 Ų146.9 Ų46.91%0.00523%0.234CC..Hα-helixtrans-64.5-40.6-178.1-67.4173000112.1L9 N10 I18 V35 K45 S46 Q51 Q52 Y53 I56L9-L49 HydrophobicContact CB-CD1 4.42Å; L9-L49 HydrophobicContact CD2-CD1 4.44Å; L9-L49 HydrophobicContact CG-CD1 4.31Å; N10-L49 HydrophobicContact CB-CD1 4.23Å; I18-L49 HydrophobicContact CD1-CD1 4.44Å; I18-L49 HydrophobicContact CD1-CD2 3.87Å; I18-L49 HydrophobicContact CG2-CD2 3.68Å; V35-L49 HydrophobicContact CG1-CD1 4.28Å; K45-L49 HydrophobicContact CG-CD1 4.4Å; K45-L49 VanDerWaalsContact O-CG 3.28Å; K45-L49 WeakPolarHBondContact O-CG 3.22Å; K45-L49 PolarHBondContact O-N 3.03Å; K45-L49 VanDerWaalsContact O-N 3.09Å; S46-L49 PolarHBondContact O-N 2.94Å; L49-Q51 PolarHBondContact O-N 3.17Å; L49-Q52 PolarHBondContact O-N 2.89Å; L49-Y53 HydrophobicContact CD2-CD2 4.37Å; L49-Y53 HydrophobicContact CD2-CE2 4.05Å; L49-Y53 WeakPolarHBondContact O-CD2 3.14Å; L49-Y53 PolarHBondContact O-N 3.34Å; L49-I56 HydrophobicContact CB-CD1 4.4Å; L49-I56 HydrophobicContact CB-CG2 4.13Å
50N98.4Very high98.3Very high6 Ų645.3 Ų45.33%0.03223%0.226CC..Hα-helixtrans-67.6-25.81798724.4000112.7S46 L47 E48 I56 S58 K86S46-N50 PolarHBondContact O-N 2.78Å; L47-N50 PolarHBondContact O-OD1 3.03Å; E48-N50 PolarHBondContact O-N 2.86Å; N50-I56 WeakPolarHBondContact CA-O 3.29Å; N50-I56 HydrophobicContact CB-CG2 4.27Å; N50-I56 VanDerWaalsContact CB-O 3.31Å; N50-I56 WeakPolarHBondContact CB-O 3.37Å; N50-S58 WeakPolarHBondContact ND2-CB 3.44Å; N50-S58 PolarHBondContact ND2-OG 3.27Å; N50-K86 HydrophobicContact CB-CB 4.31Å; N50-K86 WeakPolarHBondContact O-CD 3.33Å; N50-K86 WeakPolarHBondContact O-CE 3.33Å; N50-K86 PolarHBondContact O-NZ 2.94Å
51Q98.1Very high98.4Very high151 Ų15142.8 Ų42.871%0.70621%0.211SC*.Hα-helixtrans-79.2-33.9174.9-71.517244.700111.5L47 E48 L49L47-Q51 WeakPolarHBondContact O-CG 3.5Å; L47-Q51 PolarHBondContact O-N 2.93Å; L47-Q51 PolarHBondContact O-NE2 3.2Å; E48-Q51 PolarHBondContact O-N 3.16Å; L49-Q51 PolarHBondContact O-N 3.17Å
52Q97.8Very high98.4Very high124 Ų12439.4 Ų39.458%0.57919%0.187SC*.Hα-helixtrans-79.1-33.5-177.2-175.1177.6-12.700113.4E48 L49E48-Q52 PolarHBondContact O-N 3.47Å; E48-Q52 VanDerWaalsContact O-N 3.07Å; L49-Q52 PolarHBondContact O-N 2.89Å
53Y98Very high98.4Very high43 Ų4339.3 Ų39.317%0.16919%0.185CC..  trans-122.7125.6-172.7-62.9-88000111.8I18 V22 L49 G55 I56 K86I18-Y53 HydrophobicContact CG2-CE2 4.22Å; V22-Y53 HydrophobicContact CB-CE1 4.33Å; V22-Y53 HydrophobicContact CG1-CD1 4.06Å; V22-Y53 HydrophobicContact CG1-CE1 4.15Å; V22-Y53 HydrophobicContact CG2-CD1 4.47Å; V22-Y53 HydrophobicContact CG2-CE1 4.23Å; L49-Y53 HydrophobicContact CD2-CD2 4.37Å; L49-Y53 HydrophobicContact CD2-CE2 4.05Å; L49-Y53 WeakPolarHBondContact O-CD2 3.14Å; L49-Y53 PolarHBondContact O-N 3.34Å; Y53-G55 PolarHBondContact O-N 3.26Å; Y53-I56 HydrophobicContact CD2-CD1 3.7Å; Y53-I56 HydrophobicContact CG-CD1 3.75Å; Y53-I56 HydrophobicContact CG-CG1 4.32Å; Y53-I56 PolarHBondContact O-N 3.21Å; Y53-K86 PolarHBondContact O-NZ 3.42Å
54E96Very high98.4Very high147 Ų14739.3 Ų39.369%0.68719%0.185SC*.THydrogen-bonded Turntrans-56.2-46.1-176.3-171.5177.7177.300113.1I56 K86 N257E54-I56 VanDerWaalsContact C-N 3.34Å; E54-I56 PolarHBondContact O-N 2.92Å; E54-K86 WeakPolarHBondContact O-CE 3.17Å; E54-K86 PolarHBondContact O-NZ 3.1Å; E54-N257 PolarHBondContact OE1-ND2 2.97Å
55G96.9Very high98.3Very high18 Ų1836 Ų3619%0.18617%0.172CC..THydrogen-bonded Turntrans-82.22.4-178.100000116.1E32 M33 Y53E32-G55 CarbonylContact C-O 3.55Å; E32-G55 WeakPolarHBondContact CA-O 3.43Å; M33-G55 PolarHBondContact N-O 3.06Å; Y53-G55 PolarHBondContact O-N 3.26Å
56I98.6Very high98.2Very high3 Ų335.7 Ų35.72%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-97.1125178.6-64-172.9000110.3L9 V22 M33 V35 L49 N50 Y53 E54 K86L9-I56 HydrophobicContact CD2-CD1 3.84Å; V22-I56 HydrophobicContact CG2-CD1 4.17Å; M33-I56 HydrophobicContact CG-CD1 4.46Å; M33-I56 HydrophobicContact CG-CG1 3.84Å; M33-I56 WeakPolarHBondContact O-CA 3.39Å; M33-I56 HydrophobicContact SD-CD1 4.21Å; M33-I56 HydrophobicContact SD-CG1 4.19Å; V35-I56 HydrophobicContact CB-CG2 4.29Å; V35-I56 HydrophobicContact CG2-CG2 3.6Å; L49-I56 HydrophobicContact CB-CD1 4.4Å; L49-I56 HydrophobicContact CB-CG2 4.13Å; N50-I56 WeakPolarHBondContact CA-O 3.29Å; N50-I56 HydrophobicContact CB-CG2 4.27Å; N50-I56 VanDerWaalsContact CB-O 3.31Å; N50-I56 WeakPolarHBondContact CB-O 3.37Å; Y53-I56 HydrophobicContact CD2-CD1 3.7Å; Y53-I56 HydrophobicContact CG-CD1 3.75Å; Y53-I56 HydrophobicContact CG-CG1 4.32Å; Y53-I56 PolarHBondContact O-N 3.21Å; E54-I56 VanDerWaalsContact C-N 3.34Å; E54-I56 PolarHBondContact O-N 2.92Å; I56-K86 WeakPolarHBondContact O-CE 3.23Å; I56-K86 PolarHBondContact O-NZ 3.21Å
57Y98.8Very high98.2Very high25 Ų2535.8 Ų35.810%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-111.7162.7173.1-58.5-89.1000110.2F3 M33 A34 V35 K86 V88 I254F3-Y57 AromaticContact CE2-CD2 3.98Å; F3-Y57 HydrophobicContact CE2-CD2 3.98Å; F3-Y57 HydrophobicContact CE2-CE2 4.06Å; F3-Y57 AromaticContact CZ-CD2 3.88Å; F3-Y57 HydrophobicContact CZ-CD2 3.88Å; F3-Y57 HydrophobicContact CZ-CE2 4.42Å; M33-Y57 PolarHBondContact O-N 3.01Å; A34-Y57 CarbonylContact C-O 3.59Å; A34-Y57 WeakPolarHBondContact CA-O 3.32Å; V35-Y57 PolarHBondContact N-O 3.08Å; Y57-K86 HydrophobicContact CD1-CB 3.95Å; Y57-K86 HydrophobicContact CD1-CG 4.27Å; Y57-K86 HydrophobicContact CE1-CG 4.33Å; Y57-V88 HydrophobicContact CD1-CG1 3.69Å; Y57-V88 HydrophobicContact CG-CG1 4.15Å; Y57-I254 HydrophobicContact CD1-CD1 3.95Å; Y57-I254 HydrophobicContact CD1-CG1 4.13Å; Y57-I254 HydrophobicContact CD2-CD1 3.8Å; Y57-I254 HydrophobicContact CE1-CD1 3.82Å; Y57-I254 HydrophobicContact CE1-CG1 3.79Å; Y57-I254 HydrophobicContact CE1-CG2 4.05Å; Y57-I254 HydrophobicContact CE2-CD1 3.67Å; Y57-I254 HydrophobicContact CE2-CG1 4.47Å; Y57-I254 HydrophobicContact CE2-CG2 4.46Å; Y57-I254 HydrophobicContact CG-CD1 3.94Å; Y57-I254 WeakPolarHBondContact OH-CG2 3.08Å
58S98.9Very high98.1Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-111.8139.2176.3-67.30000112V35 S46 N50 K86 V87 V88V35-S58 WeakPolarHBondContact O-CA 3.44Å; S46-S58 PolarHBondContact O-OG 3.21Å; S46-S58 VanDerWaalsContact O-OG 3.09Å; S46-S58 PolarHBondContact OG-OG 3.08Å; N50-S58 WeakPolarHBondContact ND2-CB 3.44Å; N50-S58 PolarHBondContact ND2-OG 3.27Å; S58-K86 PolarHBondContact N-O 3.41Å; S58-V87 CarbonylContact O-C 3.6Å; S58-V87 WeakPolarHBondContact O-CA 3.34Å; S58-V88 PolarHBondContact O-N 3.04Å
59I98.9Very high98.1Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-114.9121.8162.7-60.3180000105.2A34 V35 V36 G37 V88 A89 G91 F252A34-I59 HydrophobicContact CB-CD1 3.67Å; A34-I59 HydrophobicContact CB-CG1 3.95Å; V35-I59 PolarHBondContact O-N 3.05Å; V36-I59 CarbonylContact C-O 3.53Å; V36-I59 WeakPolarHBondContact CA-O 3.27Å; V36-I59 HydrophobicContact CG2-CB 4.18Å; G37-I59 PolarHBondContact N-O 3.07Å; I59-V88 HydrophobicContact CG1-CG2 4.08Å; I59-A89 WeakPolarHBondContact CA-O 3.5Å; I59-A89 HydrophobicContact CB-CB 4.44Å; I59-A89 HydrophobicContact CD1-CB 4.26Å; I59-A89 HydrophobicContact CG1-CB 3.95Å; I59-A89 HydrophobicContact CG2-CB 3.96Å; I59-G91 CarbonylContact C-O 3.52Å; I59-G91 VanDerWaalsContact C-O 3.22Å; I59-G91 VanDerWaalsContact CG2-CA 3.5Å; I59-G91 WeakPolarHBondContact CG2-O 3.46Å; I59-F252 HydrophobicContact CD1-CE1 3.82Å; I59-F252 HydrophobicContact CD1-CZ 3.65Å; I59-F252 HydrophobicContact CG1-CE1 4.46Å
60I98.9Very high98.1Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-129.1140.1-173.968.2177.4000112.7G37 I43 L78 K81 L82 V87 A89 L90 G91G37-I60 VanDerWaalsContact O-CA 3.31Å; G37-I60 WeakPolarHBondContact O-CA 3.45Å; I43-I60 HydrophobicContact CB-CG2 4.48Å; I43-I60 HydrophobicContact CG1-CB 4.05Å; I43-I60 HydrophobicContact CG1-CG2 4.22Å; I43-I60 HydrophobicContact CG2-CB 4.27Å; I43-I60 HydrophobicContact CG2-CD1 4.34Å; I43-I60 HydrophobicContact CG2-CG2 4.04Å; I60-L78 HydrophobicContact CB-CD1 4.28Å; I60-L78 HydrophobicContact CD1-CD1 4.1Å; I60-L78 HydrophobicContact CG1-CD1 3.91Å; I60-K81 HydrophobicContact CD1-CB 3.59Å; I60-L82 HydrophobicContact CD1-CD2 4.11Å; I60-L82 HydrophobicContact CD1-CG 4.13Å; I60-L82 HydrophobicContact CG1-CD2 3.56Å; I60-L82 HydrophobicContact CG1-CG 4.05Å; I60-V87 HydrophobicContact CD1-CG1 3.83Å; I60-V87 HydrophobicContact CD1-CG2 4.26Å; I60-V87 HydrophobicContact CG1-CG1 3.69Å; I60-A89 PolarHBondContact N-O 3.26Å; I60-L90 CarbonylContact O-C 3.4Å; I60-L90 VanDerWaalsContact O-CA 3.3Å; I60-L90 WeakPolarHBondContact O-CA 3.44Å; I60-G91 CarbonylContact C-O 3.5Å; I60-G91 WeakPolarHBondContact CA-O 3.48Å; I60-G91 PolarHBondContact N-O 3.39Å; I60-G91 VanDerWaalsContact N-O 3.08Å; I60-G91 PolarHBondContact O-N 2.91Å
61G98.8Very high98.1Very high0 Ų039.9 Ų39.90%021%0.214CC..  trans-176.6-161.9-170.900000110.8G37 F38 I43 G91G37-G61 PolarHBondContact O-N 2.92Å; F38-G61 CarbonylContact C-O 3.59Å; F38-G61 WeakPolarHBondContact CA-O 3.43Å; I43-G61 WeakPolarHBondContact CD1-O 3.3Å; G61-G91 WeakPolarHBondContact CA-O 3.14Å; G61-G91 PolarHBondContact N-O 3.18Å
62W98.8Very high98.1Very high11 Ų1140 Ų404%0.04221%0.212CC..  trans-132115.3-179-143.8-99.1000110.5F38 T40 I43 E66 S69 Y70 I74 E92 Q114F38-W62 WeakPolarHBondContact O-CA 3.49Å; T40-W62 WeakPolarHBondContact OG1-CH2 3.19Å; I43-W62 HydrophobicContact CD1-CE3 4.18Å; I43-W62 HydrophobicContact CD1-CZ3 4.06Å; W62-E66 HydrophobicContact CG-CB 4.48Å; W62-E66 PolarHBondContact NE1-O 2.83Å; W62-S69 WeakPolarHBondContact CZ2-OG 3.47Å; W62-S69 PolarHBondContact NE1-OG 2.94Å; W62-Y70 HydrophobicContact CB-CD2 3.71Å; W62-Y70 HydrophobicContact CB-CE2 3.95Å; W62-Y70 AromaticContact CD1-CD2 3.67Å; W62-Y70 AromaticContact CD2-CD2 3.92Å; W62-Y70 HydrophobicContact CD2-CD2 3.92Å; W62-Y70 AromaticContact CG-CD2 3.47Å; W62-Y70 HydrophobicContact CG-CD2 3.47Å; W62-Y70 VanDerWaalsContact CG-CD2 3.47Å; W62-Y70 HydrophobicContact CG-CE2 4.12Å; W62-Y70 HydrophobicContact CG-CG 4.4Å; W62-I74 HydrophobicContact CD2-CG2 3.84Å; W62-I74 HydrophobicContact CE3-CG2 3.54Å; W62-I74 HydrophobicContact CH2-CD1 3.88Å; W62-I74 HydrophobicContact CH2-CG1 4.04Å; W62-I74 HydrophobicContact CH2-CG2 3.67Å; W62-I74 HydrophobicContact CZ2-CD1 3.64Å; W62-I74 HydrophobicContact CZ2-CG1 4.29Å; W62-I74 HydrophobicContact CZ2-CG2 3.97Å; W62-I74 HydrophobicContact CZ3-CG2 3.45Å; W62-I74 VanDerWaalsContact CZ3-CG2 3.45Å; W62-E92 CarbonylContact C-O 3.32Å; W62-Q114 PolarHBondContact O-NE2 3.38Å
63H98.5Very high98.1Very high17 Ų1737.3 Ų37.38%0.07921%0.211CC..  trans-63.1150.2-173.8-158-107000111.8F38 T65 E66 A67 E92 H128F38-H63 HydrophobicContact CB-CB 3.9Å; F38-H63 HydrophobicContact CD2-CB 3.94Å; F38-H63 HydrophobicContact CG-CB 4.14Å; F38-H63 PolarHBondContact O-N 2.78Å; H63-T65 WeakPolarHBondContact ND1-CG2 2.97Å; H63-T65 PolarHBondContact ND1-N 3.13Å; H63-T65 PolarHBondContact ND1-OG1 3.1Å; H63-T65 PolarHBondContact O-N 3.26Å; H63-E66 HydrophobicContact CB-CB 4.47Å; H63-E66 HydrophobicContact CB-CG 4.16Å; H63-E66 CarbonylContact O-C 3.56Å; H63-E66 WeakPolarHBondContact O-CA 3.32Å; H63-E66 PolarHBondContact O-N 2.85Å; H63-A67 PolarHBondContact O-N 2.86Å; H63-E92 WeakPolarHBondContact CA-O 3.41Å; H63-E92 IonicContact CD2-OE1 3.06Å; H63-E92 PolarHBondContact N-O 2.77Å; H63-E92 IonicContact NE2-OE1 2.93Å; H63-H128 AromaticContact NE2-CD2 3.91Å; H63-H128 AromaticContact NE2-CE1 3.76Å; H63-H128 AromaticContact NE2-CG 3.49Å; H63-H128 AromaticContact NE2-ND1 3.41Å; H63-H128 PolarHBondContact NE2-ND1 3.02Å
64P98.3Very high98.1Very high3 Ų336.9 Ų36.92%0.01921%0.211CC..G310 helixtrans-54.8-30.7170.417.4-32.1000114.9E66 A67 D96 Q107 H128P64-E66 PolarHBondContact O-N 2.7Å; P64-A67 VanDerWaalsContact O-CB 3.32Å; P64-A67 WeakPolarHBondContact O-CB 3.4Å; P64-A67 PolarHBondContact O-N 3.15Å; P64-D96 HydrophobicContact CB-CB 4.2Å; P64-D96 HydrophobicContact CG-CB 3.93Å; P64-Q107 HydrophobicContact CB-CG 4.27Å; P64-H128 HydrophobicContact CG-CB 4.33Å
65T97Very high98.3Very high27 Ų2731.3 Ų31.317%0.16619%0.185CC..G310 helixtrans-73.3-14176.160.40000113.2H63 D96 W99 E101H63-T65 WeakPolarHBondContact ND1-CG2 2.97Å; H63-T65 PolarHBondContact ND1-N 3.13Å; H63-T65 PolarHBondContact ND1-OG1 3.1Å; H63-T65 PolarHBondContact O-N 3.26Å; T65-D96 HydrophobicContact CG2-CB 4.49Å; T65-W99 HydrophobicContact CG2-CB 4.07Å; T65-E101 HydrophobicContact CG2-CG 4.34Å
66E97.6Very high98.3Very high61 Ų6134.8 Ų34.829%0.28520%0.197SC..G310 helixtrans-106.25.4177.8-58.8-57.4140.700111.6D39 W62 H63 P64 G68 S69D39-E66 HydrophobicContact CB-CG 4.23Å; W62-E66 HydrophobicContact CG-CB 4.48Å; W62-E66 PolarHBondContact NE1-O 2.83Å; H63-E66 HydrophobicContact CB-CB 4.47Å; H63-E66 HydrophobicContact CB-CG 4.16Å; H63-E66 CarbonylContact O-C 3.56Å; H63-E66 WeakPolarHBondContact O-CA 3.32Å; H63-E66 PolarHBondContact O-N 2.85Å; P64-E66 PolarHBondContact O-N 2.7Å; E66-G68 PolarHBondContact O-N 3.19Å; E66-G68 VanDerWaalsContact O-N 3.15Å; E66-S69 PolarHBondContact O-N 3.13Å; E66-S69 PolarHBondContact O-OG 3.33Å
67A97.8Very high98.4Very high2 Ų237.5 Ų37.52%0.01721%0.211CC..G310 helixtrans-58.7-35.4-168.900000112.9H63 P64 S69 Y70 D102 V106 Q107 V110H63-A67 PolarHBondContact O-N 2.86Å; P64-A67 VanDerWaalsContact O-CB 3.32Å; P64-A67 WeakPolarHBondContact O-CB 3.4Å; P64-A67 PolarHBondContact O-N 3.15Å; A67-S69 PolarHBondContact O-N 2.86Å; A67-Y70 WeakPolarHBondContact O-CB 3.43Å; A67-Y70 PolarHBondContact O-N 3.24Å; A67-D102 HydrophobicContact CB-CB 4.4Å; A67-D102 PolarHBondContact N-OD2 2.9Å; A67-V106 HydrophobicContact CB-CG1 4.07Å; A67-Q107 HydrophobicContact CB-CB 4.49Å; A67-Q107 HydrophobicContact CB-CG 4.18Å; A67-V110 HydrophobicContact CB-CB 4.19Å; A67-V110 HydrophobicContact CB-CG1 4.48Å; A67-V110 HydrophobicContact CB-CG2 4.11Å; A67-V110 WeakPolarHBondContact O-CG2 3.43Å
68G97.3Very high98.3Very high50 Ų5036.4 Ų36.452%0.51521%0.207SC..G310 helixtrans-67-22.9178.700000114E66 D102E66-G68 PolarHBondContact O-N 3.19Å; E66-G68 VanDerWaalsContact O-N 3.15Å; G68-D102 WeakPolarHBondContact CA-OD1 3.38Å; G68-D102 WeakPolarHBondContact CA-OD2 3.43Å; G68-D102 PolarHBondContact N-OD1 3.48Å; G68-D102 PolarHBondContact N-OD2 3.25Å
69S97.7Very high98.3Very high51 Ų5138.9 Ų38.936%0.35722%0.22SC..G310 helixtrans-87.1-9.3176.274.50000112.8W62 E66 A67 T71 I74W62-S69 WeakPolarHBondContact CZ2-OG 3.47Å; W62-S69 PolarHBondContact NE1-OG 2.94Å; E66-S69 PolarHBondContact O-N 3.13Å; E66-S69 PolarHBondContact O-OG 3.33Å; A67-S69 PolarHBondContact O-N 2.86Å; S69-T71 WeakPolarHBondContact O-CG2 3.2Å; S69-T71 PolarHBondContact O-N 3.09Å; S69-T71 VanDerWaalsContact O-N 3.16Å; S69-I74 WeakPolarHBondContact O-CD1 3.09Å
70Y98.4Very high98.3Very high33 Ų3345.3 Ų45.313%0.12925%0.248CC..  trans-67.8112.5-177.2-165.6-105000112.3W62 A67 I74 E75 L78 V110 R113 Q114W62-Y70 HydrophobicContact CB-CD2 3.71Å; W62-Y70 HydrophobicContact CB-CE2 3.95Å; W62-Y70 AromaticContact CD1-CD2 3.67Å; W62-Y70 AromaticContact CD2-CD2 3.92Å; W62-Y70 HydrophobicContact CD2-CD2 3.92Å; W62-Y70 AromaticContact CG-CD2 3.47Å; W62-Y70 HydrophobicContact CG-CD2 3.47Å; W62-Y70 VanDerWaalsContact CG-CD2 3.47Å; W62-Y70 HydrophobicContact CG-CE2 4.12Å; W62-Y70 HydrophobicContact CG-CG 4.4Å; A67-Y70 WeakPolarHBondContact O-CB 3.43Å; A67-Y70 PolarHBondContact O-N 3.24Å; Y70-I74 HydrophobicContact CD2-CG2 3.73Å; Y70-I74 HydrophobicContact CE2-CG2 3.86Å; Y70-E75 HydrophobicContact CE1-CB 4.14Å; Y70-E75 WeakPolarHBondContact OH-CB 3.31Å; Y70-E75 WeakPolarHBondContact OH-CG 3.26Å; Y70-L78 HydrophobicContact CE2-CD2 4.4Å; Y70-V110 HydrophobicContact CD1-CG1 3.98Å; Y70-V110 HydrophobicContact CD1-CG2 4.03Å; Y70-V110 HydrophobicContact CD2-CG1 4.23Å; Y70-V110 HydrophobicContact CG-CG1 3.8Å; Y70-V110 HydrophobicContact CG-CG2 4.17Å; Y70-R113 HydrophobicContact CE1-CG 4.32Å; Y70-Q114 HydrophobicContact CE2-CG 4.46Å
71T98.2Very high98.3Very high72 Ų7246.5 Ų46.544%0.44225%0.253SS..  trans-118.1167.6179.168.20000111.9S69 A73 I74 E75S69-T71 WeakPolarHBondContact O-CG2 3.2Å; S69-T71 PolarHBondContact O-N 3.09Å; S69-T71 VanDerWaalsContact O-N 3.16Å; T71-A73 PolarHBondContact O-N 2.94Å; T71-A73 PolarHBondContact OG1-N 3.47Å; T71-I74 WeakPolarHBondContact O-CB 3Å; T71-I74 PolarHBondContact O-N 3.44Å; T71-I74 VanDerWaalsContact O-N 3.14Å; T71-I74 PolarHBondContact OG1-N 3.1Å; T71-E75 PolarHBondContact O-N 3.27Å
72K98.2Very high98.3Very high152 Ų15246.8 Ų46.866%0.66126%0.255SS*.Hα-helixtrans-57.6-34.9172.9-176.1174.9175.6-176.30112.9E75 E76K72-E75 PolarHBondContact O-N 3.31Å; K72-E76 WeakPolarHBondContact CE-OE1 3.39Å; K72-E76 IonicContact NZ-OE1 3.47Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.49Å
73A98.6Very high98.3Very high69 Ų6951.2 Ų51.257%0.5728%0.283SS*.Hα-helixtrans-67.4-39.6177.600000111.7T71 D77T71-A73 PolarHBondContact O-N 2.94Å; T71-A73 PolarHBondContact OG1-N 3.47Å; A73-D77 WeakPolarHBondContact O-CB 3.47Å; A73-D77 PolarHBondContact O-N 2.98Å; A73-D77 VanDerWaalsContact O-N 3.08Å
74I98.6Very high98.3Very high33 Ų3353.9 Ų53.917%0.16930%0.297CS..Hα-helixtrans-65.1-44.1173.5-74.1158.7000110.5W62 S69 Y70 T71 E76 D77 L78W62-I74 HydrophobicContact CD2-CG2 3.84Å; W62-I74 HydrophobicContact CE3-CG2 3.54Å; W62-I74 HydrophobicContact CH2-CD1 3.88Å; W62-I74 HydrophobicContact CH2-CG1 4.04Å; W62-I74 HydrophobicContact CH2-CG2 3.67Å; W62-I74 HydrophobicContact CZ2-CD1 3.64Å; W62-I74 HydrophobicContact CZ2-CG1 4.29Å; W62-I74 HydrophobicContact CZ2-CG2 3.97Å; W62-I74 HydrophobicContact CZ3-CG2 3.45Å; W62-I74 VanDerWaalsContact CZ3-CG2 3.45Å; S69-I74 WeakPolarHBondContact O-CD1 3.09Å; Y70-I74 HydrophobicContact CD2-CG2 3.73Å; Y70-I74 HydrophobicContact CE2-CG2 3.86Å; T71-I74 WeakPolarHBondContact O-CB 3Å; T71-I74 PolarHBondContact O-N 3.44Å; T71-I74 VanDerWaalsContact O-N 3.14Å; T71-I74 PolarHBondContact OG1-N 3.1Å; I74-E76 PolarHBondContact O-N 3.35Å; I74-D77 PolarHBondContact O-N 3.27Å; I74-L78 VanDerWaalsContact O-CB 3.27Å; I74-L78 WeakPolarHBondContact O-CB 3.22Å; I74-L78 PolarHBondContact O-N 2.98Å
75E98.7Very high98.2Very high31 Ų3158.7 Ų58.715%0.14533%0.329CS..Hα-helixtrans-57.7-48.6176.2-178.7177.6123.800111.9Y70 T71 K72 D77 L78 I79 R113 I117Y70-E75 HydrophobicContact CE1-CB 4.14Å; Y70-E75 WeakPolarHBondContact OH-CB 3.31Å; Y70-E75 WeakPolarHBondContact OH-CG 3.26Å; T71-E75 PolarHBondContact O-N 3.27Å; K72-E75 PolarHBondContact O-N 3.31Å; E75-D77 VanDerWaalsContact C-N 3.31Å; E75-D77 PolarHBondContact O-N 2.99Å; E75-L78 PolarHBondContact O-N 3.36Å; E75-I79 HydrophobicContact CG-CD1 3.89Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.48Å; E75-I79 PolarHBondContact O-N 3.1Å; E75-R113 VanDerWaalsContact CD-NE 3.26Å; E75-R113 IonicContact OE1-CZ 2.63Å; E75-R113 VanDerWaalsContact OE1-CZ 3.28Å; E75-R113 IonicContact OE1-NE 3.32Å; E75-R113 PolarHBondContact OE1-NE 3.03Å; E75-R113 IonicContact OE1-NH2 2.68Å; E75-R113 PolarHBondContact OE1-NH2 2.81Å; E75-R113 WeakPolarHBondContact OE2-CG 3.26Å; E75-R113 IonicContact OE2-CZ 3.97Å; E75-R113 IonicContact OE2-NE 2.81Å; E75-R113 PolarHBondContact OE2-NE 2.71Å; E75-I117 HydrophobicContact CG-CD1 3.65Å
76E98.7Very high98.3Very high91 Ų9160 Ų6043%0.42533%0.332SS..Hα-helixtrans-62.7-37179-74.6176.2-17400112.6K72 I74 K80K72-E76 WeakPolarHBondContact CE-OE1 3.39Å; K72-E76 IonicContact NZ-OE1 3.47Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.49Å; I74-E76 PolarHBondContact O-N 3.35Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 2.83Å
77D98.7Very high98.4Very high59 Ų5957.8 Ų57.832%0.31632%0.323SS..Hα-helixtrans-70.7-44175.5-174.463.5000112.1A73 I74 E75 I79 K80 K81A73-D77 WeakPolarHBondContact O-CB 3.47Å; A73-D77 PolarHBondContact O-N 2.98Å; A73-D77 VanDerWaalsContact O-N 3.08Å; I74-D77 PolarHBondContact O-N 3.27Å; E75-D77 VanDerWaalsContact C-N 3.31Å; E75-D77 PolarHBondContact O-N 2.99Å; D77-I79 PolarHBondContact O-N 3.03Å; D77-K80 WeakPolarHBondContact O-CB 3.31Å; D77-K80 PolarHBondContact O-N 3.2Å; D77-K81 PolarHBondContact O-N 2.78Å; D77-K81 IonicContact OD1-NZ 3.65Å; D77-K81 WeakPolarHBondContact OD2-CD 3.4Å; D77-K81 WeakPolarHBondContact OD2-CE 3.45Å; D77-K81 IonicContact OD2-NZ 3.65Å; D77-K81 PolarHBondContact OD2-NZ 2.61Å
78L98.8Very high98.4Very high3 Ų358.3 Ų58.32%0.01633%0.326CS..Hα-helixtrans-58.9-46.4176.1-178.264.9000111I43 I60 Y70 I74 E75 K80 K81 L82I43-L78 HydrophobicContact CD1-CD1 4.11Å; I60-L78 HydrophobicContact CB-CD1 4.28Å; I60-L78 HydrophobicContact CD1-CD1 4.1Å; I60-L78 HydrophobicContact CG1-CD1 3.91Å; Y70-L78 HydrophobicContact CE2-CD2 4.4Å; I74-L78 VanDerWaalsContact O-CB 3.27Å; I74-L78 WeakPolarHBondContact O-CB 3.22Å; I74-L78 PolarHBondContact O-N 2.98Å; E75-L78 PolarHBondContact O-N 3.36Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.43Å; L78-K81 PolarHBondContact O-N 2.93Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 HydrophobicContact CG-CG 4.36Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.93Å
79I98.8Very high98.5Very high52 Ų5256 Ų5627%0.26730%0.301SS..Hα-helixtrans-59-40.9177-70.8168000111.3E75 D77 I117 M121E75-I79 HydrophobicContact CG-CD1 3.89Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.48Å; E75-I79 PolarHBondContact O-N 3.1Å; D77-I79 PolarHBondContact O-N 3.03Å; I79-I117 HydrophobicContact CD1-CD1 4.25Å; I79-I117 HydrophobicContact CD1-CG1 4.3Å; I79-I117 HydrophobicContact CD1-CG2 4.42Å; I79-I117 HydrophobicContact CG1-CD1 4.35Å; I79-I117 HydrophobicContact CG1-CG2 3.84Å; I79-M121 HydrophobicContact CG2-SD 4.33Å
80K98.7Very high98.5Very high134 Ų13453.6 Ų53.658%0.58328%0.284SS*.Hα-helixtrans-63.4-48.8175.3-70168.2-169.4169.70110.9E76 D77 L78 L82 T83E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 2.83Å; D77-K80 WeakPolarHBondContact O-CB 3.31Å; D77-K80 PolarHBondContact O-N 3.2Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.43Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 2.87Å; K80-T83 PolarHBondContact O-N 2.81Å; K80-T83 VanDerWaalsContact O-N 3.12Å; K80-T83 PolarHBondContact O-OG1 2.83Å
81K98.8Very high98.5Very high25 Ų2552 Ų5211%0.10928%0.278CS..Hα-helixtrans-63.8-33.1-179.1-73.3171.6173.6164.90112.3I43 E44 L47 I60 D77 L78 T83 L84I43-K81 HydrophobicContact CG2-CD 3.8Å; E44-K81 IonicContact OE1-NZ 3.37Å; L47-K81 HydrophobicContact CD1-CB 4.26Å; L47-K81 HydrophobicContact CD1-CD 3.99Å; L47-K81 HydrophobicContact CD1-CG 4.02Å; I60-K81 HydrophobicContact CD1-CB 3.59Å; D77-K81 PolarHBondContact O-N 2.78Å; D77-K81 IonicContact OD1-NZ 3.65Å; D77-K81 WeakPolarHBondContact OD2-CD 3.4Å; D77-K81 WeakPolarHBondContact OD2-CE 3.45Å; D77-K81 IonicContact OD2-NZ 3.65Å; D77-K81 PolarHBondContact OD2-NZ 2.61Å; L78-K81 PolarHBondContact O-N 2.93Å; K81-T83 PolarHBondContact O-N 3.32Å; K81-T83 VanDerWaalsContact O-N 3.13Å; K81-L84 HydrophobicContact CB-CD1 4.32Å; K81-L84 HydrophobicContact CG-CD1 4.29Å; K81-L84 VanDerWaalsContact O-CB 3.28Å; K81-L84 WeakPolarHBondContact O-CB 3.47Å; K81-L84 WeakPolarHBondContact O-CG 3.49Å; K81-L84 PolarHBondContact O-N 3.34Å
82L98.8Very high98.5Very high7 Ų748.8 Ų48.84%0.03726%0.258CS..THydrogen-bonded Turntrans-62.9-16.6175.7-76.5165.7000113.6I60 L78 K80 V87 L90 I117 M121 L123I60-L82 HydrophobicContact CD1-CD2 4.11Å; I60-L82 HydrophobicContact CD1-CG 4.13Å; I60-L82 HydrophobicContact CG1-CD2 3.56Å; I60-L82 HydrophobicContact CG1-CG 4.05Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 HydrophobicContact CG-CG 4.36Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.93Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 2.87Å; L82-V87 HydrophobicContact CD2-CG1 3.95Å; L82-L90 HydrophobicContact CD1-CD1 3.62Å; L82-L90 HydrophobicContact CD1-CG 4.12Å; L82-L90 HydrophobicContact CD2-CB 4.17Å; L82-L90 HydrophobicContact CD2-CD1 4.49Å; L82-L90 HydrophobicContact CD2-CG 4.2Å; L82-I117 HydrophobicContact CD1-CG2 4.04Å; L82-M121 HydrophobicContact CB-CE 3.57Å; L82-M121 HydrophobicContact CB-SD 3.89Å; L82-M121 HydrophobicContact CD1-SD 3.84Å; L82-L123 HydrophobicContact CB-CD1 4.19Å; L82-L123 HydrophobicContact CD2-CD1 3.87Å; L82-L123 HydrophobicContact CG-CD1 4.46Å
83T98.3Very high98.6Very high103 Ų10341.6 Ų41.663%0.63223%0.227SC*.THydrogen-bonded Turntrans-89.1-5.5175.269.30000114.1K80 K81 M121K80-T83 PolarHBondContact O-N 2.81Å; K80-T83 VanDerWaalsContact O-N 3.12Å; K80-T83 PolarHBondContact O-OG1 2.83Å; K81-T83 PolarHBondContact O-N 3.32Å; K81-T83 VanDerWaalsContact O-N 3.13Å; T83-M121 HydrophobicContact CG2-CE 3.7Å
84L98.5Very high98.6Very high73 Ų7338.4 Ų38.438%0.38220%0.201SC..SBendtrans-72.1152.9-178.1-64.7174.7000111.5L47 K81 V87L47-L84 HydrophobicContact CD1-CD1 3.98Å; L47-L84 HydrophobicContact CD2-CD1 4.18Å; K81-L84 HydrophobicContact CB-CD1 4.32Å; K81-L84 HydrophobicContact CG-CD1 4.29Å; K81-L84 VanDerWaalsContact O-CB 3.28Å; K81-L84 WeakPolarHBondContact O-CB 3.47Å; K81-L84 WeakPolarHBondContact O-CG 3.49Å; K81-L84 PolarHBondContact O-N 3.34Å; L84-V87 HydrophobicContact CB-CG2 4.12Å; L84-V87 PolarHBondContact O-N 3.08Å
85P96.9Very high98.6Very high105 Ų10536.8 Ų36.868%0.68219%0.193SC*.THydrogen-bonded Turntrans-55.1145.5174.8-23.433.7000111.8V87P85-V87 PolarHBondContact O-N 3.34Å; P85-V87 VanDerWaalsContact O-N 3.08Å
86K98.2Very high98.5Very high55 Ų5535.4 Ų35.424%0.23919%0.186CC..THydrogen-bonded Turntrans62.79176.2-54.9178.261.7-174.90115.7N50 Y53 E54 I56 Y57 S58N50-K86 HydrophobicContact CB-CB 4.31Å; N50-K86 WeakPolarHBondContact O-CD 3.33Å; N50-K86 WeakPolarHBondContact O-CE 3.33Å; N50-K86 PolarHBondContact O-NZ 2.94Å; Y53-K86 PolarHBondContact O-NZ 3.42Å; E54-K86 WeakPolarHBondContact O-CE 3.17Å; E54-K86 PolarHBondContact O-NZ 3.1Å; I56-K86 WeakPolarHBondContact O-CE 3.23Å; I56-K86 PolarHBondContact O-NZ 3.21Å; Y57-K86 HydrophobicContact CD1-CB 3.95Å; Y57-K86 HydrophobicContact CD1-CG 4.27Å; Y57-K86 HydrophobicContact CE1-CG 4.33Å; S58-K86 PolarHBondContact N-O 3.41Å
87V98.8Very high98.5Very high14 Ų1432.8 Ų32.89%0.08517%0.173CC..EExtended strand (participates in β ladder)trans-82.6114.1160-176.30000108L47 S58 I60 L82 L84 P85L47-V87 HydrophobicContact CD2-CG2 3.5Å; L47-V87 VanDerWaalsContact CD2-CG2 3.5Å; S58-V87 CarbonylContact O-C 3.6Å; S58-V87 WeakPolarHBondContact O-CA 3.34Å; I60-V87 HydrophobicContact CD1-CG1 3.83Å; I60-V87 HydrophobicContact CD1-CG2 4.26Å; I60-V87 HydrophobicContact CG1-CG1 3.69Å; L82-V87 HydrophobicContact CD2-CG1 3.95Å; L84-V87 HydrophobicContact CB-CG2 4.12Å; L84-V87 PolarHBondContact O-N 3.08Å; P85-V87 PolarHBondContact O-N 3.34Å; P85-V87 VanDerWaalsContact O-N 3.08Å
88V98.6Very high98.4Very high13 Ų1335.7 Ų35.78%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-112.3-17.4-164.5-64.70000114.7Y57 S58 I59 P124 F252 I254Y57-V88 HydrophobicContact CD1-CG1 3.69Å; Y57-V88 HydrophobicContact CG-CG1 4.15Å; S58-V88 PolarHBondContact O-N 3.04Å; I59-V88 HydrophobicContact CG1-CG2 4.08Å; V88-P124 WeakPolarHBondContact O-CD 3.34Å; V88-P124 WeakPolarHBondContact O-CG 3.37Å; V88-F252 HydrophobicContact CB-CB 3.73Å; V88-F252 HydrophobicContact CB-CD1 4.06Å; V88-F252 HydrophobicContact CB-CG 4.01Å; V88-F252 HydrophobicContact CG1-CB 4.18Å; V88-F252 HydrophobicContact CG2-CB 3.95Å; V88-F252 HydrophobicContact CG2-CD1 3.64Å; V88-F252 HydrophobicContact CG2-CD2 4.22Å; V88-F252 HydrophobicContact CG2-CE1 4.17Å; V88-F252 HydrophobicContact CG2-CG 3.68Å; V88-I254 HydrophobicContact CG1-CD1 4.46Å; V88-I254 HydrophobicContact CG1-CG1 4.18Å
89A98.8Very high98Very high1 Ų142.1 Ų42.11%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-153.5159.8179.200000110.9I59 I60 P124 F252I59-A89 WeakPolarHBondContact CA-O 3.5Å; I59-A89 HydrophobicContact CB-CB 4.44Å; I59-A89 HydrophobicContact CD1-CB 4.26Å; I59-A89 HydrophobicContact CG1-CB 3.95Å; I59-A89 HydrophobicContact CG2-CB 3.96Å; I60-A89 PolarHBondContact N-O 3.26Å; A89-P124 VanDerWaalsContact CA-O 3.3Å; A89-P124 WeakPolarHBondContact CA-O 3.41Å; A89-P124 HydrophobicContact CB-CG 3.91Å; A89-P124 VanDerWaalsContact CB-O 3.29Å; A89-P124 WeakPolarHBondContact CB-O 3.45Å; A89-F252 HydrophobicContact CB-CD1 4.2Å; A89-F252 HydrophobicContact CB-CE1 3.98Å
90L98.9Very high97.7Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-94.3116.3169.8-164.6162.1000109.1I60 L82 I93 Q114 I117 A118 P124 I125 S126I60-L90 CarbonylContact O-C 3.4Å; I60-L90 VanDerWaalsContact O-CA 3.3Å; I60-L90 WeakPolarHBondContact O-CA 3.44Å; L82-L90 HydrophobicContact CD1-CD1 3.62Å; L82-L90 HydrophobicContact CD1-CG 4.12Å; L82-L90 HydrophobicContact CD2-CB 4.17Å; L82-L90 HydrophobicContact CD2-CD1 4.49Å; L82-L90 HydrophobicContact CD2-CG 4.2Å; L90-I93 HydrophobicContact CD2-CD1 3.98Å; L90-I93 HydrophobicContact CD2-CG2 3.58Å; L90-Q114 WeakPolarHBondContact CD1-O 3.47Å; L90-Q114 HydrophobicContact CD2-CB 3.82Å; L90-Q114 HydrophobicContact CD2-CG 4.4Å; L90-I117 HydrophobicContact CD1-CB 4.04Å; L90-I117 HydrophobicContact CD1-CG2 3.75Å; L90-A118 HydrophobicContact CB-CB 4.14Å; L90-A118 HydrophobicContact CD1-CB 4.06Å; L90-P124 PolarHBondContact N-O 3.41Å; L90-I125 CarbonylContact O-C 3.57Å; L90-I125 WeakPolarHBondContact O-CA 3.36Å; L90-S126 PolarHBondContact O-N 3.03Å
91G98.6Very high97.4Very high0 Ų043.5 Ų43.50%021%0.213CC..EExtended strand (participates in β ladder)trans173.5166.9-174.700000111.7I59 I60 G61I59-G91 CarbonylContact C-O 3.52Å; I59-G91 VanDerWaalsContact C-O 3.22Å; I59-G91 VanDerWaalsContact CG2-CA 3.5Å; I59-G91 WeakPolarHBondContact CG2-O 3.46Å; I60-G91 CarbonylContact C-O 3.5Å; I60-G91 WeakPolarHBondContact CA-O 3.48Å; I60-G91 PolarHBondContact N-O 3.39Å; I60-G91 VanDerWaalsContact N-O 3.08Å; I60-G91 PolarHBondContact O-N 2.91Å; G61-G91 WeakPolarHBondContact CA-O 3.14Å; G61-G91 PolarHBondContact N-O 3.18Å
92E98.3Very high97.2Very high5 Ų543.8 Ų43.82%0.02322%0.216CC..EExtended strand (participates in β ladder)cis-86.5124.51.9174.9178.2-176.200110.6H6 H8 V36 W62 H63 H128 H153H6-E92 IonicContact CE1-OE2 2.81Å; H6-E92 PolarHBondContact CE1-OE2 3.19Å; H6-E92 IonicContact NE2-OE2 3.68Å; H6-E92 PolarHBondContact NE2-OE2 3.14Å; H8-E92 IonicContact CE1-OE2 3.92Å; H8-E92 IonicContact NE2-OE2 2.67Å; V36-E92 HydrophobicContact CG1-CB 3.55Å; W62-E92 CarbonylContact C-O 3.32Å; H63-E92 WeakPolarHBondContact CA-O 3.41Å; H63-E92 IonicContact CD2-OE1 3.06Å; H63-E92 PolarHBondContact N-O 2.77Å; H63-E92 IonicContact NE2-OE1 2.93Å; E92-H128 HydrophobicContact CG-CB 3.64Å; E92-H128 VanDerWaalsContact OE1-CB 3.26Å; E92-H128 WeakPolarHBondContact OE1-CB 3.46Å; E92-H128 IonicContact OE1-CE1 2.61Å; E92-H128 IonicContact OE1-CG 3.83Å; E92-H128 VanDerWaalsContact OE1-CG 3.28Å; E92-H128 IonicContact OE1-ND1 3.8Å; E92-H128 PolarHBondContact OE1-ND1 2.95Å; E92-H153 IonicContact OE1-CD2 3.57Å; E92-H153 PolarHBondContact OE1-CD2 3.48Å; E92-H153 IonicContact OE1-CE1 2.87Å; E92-H153 IonicContact OE1-NE2 3.2Å; E92-H153 PolarHBondContact OE1-NE2 3.19Å
93I98.8Very high97.1Very high0 Ų046.9 Ų46.90%024%0.236CC..EExtended strand (participates in β ladder)trans-124.7161.2-179.466.1176.6000109.4L90 F111 Q114 I115 I125 S126 I127 H128L90-I93 HydrophobicContact CD2-CD1 3.98Å; L90-I93 HydrophobicContact CD2-CG2 3.58Å; I93-F111 HydrophobicContact CB-CD2 4.15Å; I93-F111 HydrophobicContact CB-CE2 4.49Å; I93-F111 HydrophobicContact CD1-CD2 3.77Å; I93-F111 HydrophobicContact CD1-CE2 3.71Å; I93-F111 HydrophobicContact CG1-CD2 3.84Å; I93-F111 HydrophobicContact CG1-CE2 3.74Å; I93-Q114 HydrophobicContact CD1-CB 4.06Å; I93-Q114 HydrophobicContact CG2-CB 4.02Å; I93-Q114 HydrophobicContact CG2-CG 4.31Å; I93-Q114 VanDerWaalsContact CG2-NE2 3.3Å; I93-I115 HydrophobicContact CD1-CG1 4.12Å; I93-I125 HydrophobicContact CD1-CB 4.2Å; I93-I125 HydrophobicContact CD1-CG2 4.07Å; I93-S126 PolarHBondContact N-O 2.94Å; I93-I127 HydrophobicContact CD1-CD1 3.95Å; I93-I127 HydrophobicContact CG1-CD1 3.54Å; I93-I127 CarbonylContact O-C 3.58Å; I93-I127 VanDerWaalsContact O-CA 3.26Å; I93-I127 WeakPolarHBondContact O-CA 3.27Å; I93-H128 PolarHBondContact O-N 2.81Å
94G98.6Very high97.1Very high2 Ų246.1 Ų46.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans148.2-133.9172.300000113.1H128G94-H128 WeakPolarHBondContact CA-O 3.5Å
95L98.7Very high97.1Very high0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-140130.9-175.9-62.4175.8000111Y97 Q107 A108 F111 H128 T129 R130 A132 D135 I139L95-Y97 HydrophobicContact CB-CE1 4.04Å; L95-Y97 HydrophobicContact CD1-CE1 4.38Å; L95-Y97 HydrophobicContact CD2-CE1 4.24Å; L95-Y97 HydrophobicContact CG-CE1 4.46Å; L95-Q107 HydrophobicContact CD2-CB 3.67Å; L95-A108 HydrophobicContact CD2-CB 4.4Å; L95-F111 HydrophobicContact CD2-CD1 4.33Å; L95-F111 HydrophobicContact CG-CD1 4.05Å; L95-F111 HydrophobicContact CG-CE1 4.48Å; L95-H128 PolarHBondContact N-O 3.32Å; L95-H128 VanDerWaalsContact N-O 3.16Å; L95-H128 PolarHBondContact O-CD2 2.63Å; L95-T129 VanDerWaalsContact O-CA 3.32Å; L95-T129 WeakPolarHBondContact O-CA 3.32Å; L95-R130 PolarHBondContact O-N 2.84Å; L95-A132 HydrophobicContact CB-CB 3.56Å; L95-A132 HydrophobicContact CD1-CB 4.24Å; L95-D135 HydrophobicContact CD1-CB 3.68Å; L95-I139 HydrophobicContact CD1-CD1 3.81Å; L95-I139 HydrophobicContact CD2-CD1 4.32Å; L95-I139 HydrophobicContact CG-CD1 4.33Å
96D98.2Very high97.1Very high2 Ų246.8 Ų46.81%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-125.6108.3172.3-168.2-26000109.1P64 T65 Y98 W99 Q107 H128P64-D96 HydrophobicContact CB-CB 4.2Å; P64-D96 HydrophobicContact CG-CB 3.93Å; T65-D96 HydrophobicContact CG2-CB 4.49Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.2Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.46Å; D96-Y98 PolarHBondContact OD1-N 2.9Å; D96-W99 PolarHBondContact OD1-N 2.97Å; D96-Q107 PolarHBondContact O-NE2 2.83Å; D96-Q107 PolarHBondContact O-OE1 3.02Å; D96-H128 IonicContact OD2-NE2 2.83Å; D96-H128 PolarHBondContact OD2-NE2 3.04Å
97Y97.6Very high97.2Very high35 Ų3544.2 Ų44.214%0.13721%0.208CC..SBendtrans-97.70.2177.6-64.7-7.6000113L95 M100 K104 R130 D131 A132 D135L95-Y97 HydrophobicContact CB-CE1 4.04Å; L95-Y97 HydrophobicContact CD1-CE1 4.38Å; L95-Y97 HydrophobicContact CD2-CE1 4.24Å; L95-Y97 HydrophobicContact CG-CE1 4.46Å; Y97-M100 HydrophobicContact CD1-CE 3.76Å; Y97-M100 HydrophobicContact CD1-SD 4.21Å; Y97-M100 HydrophobicContact CG-CE 3.91Å; Y97-K104 HydrophobicContact CD1-CD 4.46Å; Y97-K104 HydrophobicContact CD1-CG 4.1Å; Y97-K104 HydrophobicContact CD2-CD 4.39Å; Y97-K104 VanDerWaalsContact CD2-CE 3.5Å; Y97-K104 HydrophobicContact CE1-CB 4.16Å; Y97-K104 HydrophobicContact CE1-CD 3.94Å; Y97-K104 HydrophobicContact CE1-CG 3.59Å; Y97-K104 HydrophobicContact CE2-CD 3.84Å; Y97-K104 HydrophobicContact CE2-CG 4.42Å; Y97-R130 PolarHBondContact N-O 3.35Å; Y97-D131 VanDerWaalsContact CD2-O 3.32Å; Y97-D131 WeakPolarHBondContact CD2-O 3.41Å; Y97-A132 HydrophobicContact CD1-CB 4.09Å; Y97-A132 HydrophobicContact CD2-CB 3.52Å; Y97-A132 HydrophobicContact CE1-CB 4.17Å; Y97-A132 HydrophobicContact CE2-CB 3.63Å; Y97-A132 HydrophobicContact CG-CB 3.76Å; Y97-D135 HydrophobicContact CE2-CB 4.22Å; Y97-D135 VanDerWaalsContact CE2-OD2 3.3Å; Y97-D135 WeakPolarHBondContact CE2-OD2 3.44Å; Y97-D135 PolarHBondContact OH-OD2 3.03Å; Y97-D135 VanDerWaalsContact OH-OD2 3.05Å
98Y95.8Very high97.2Very high121 Ų12144.6 Ų44.648%0.47521%0.212SC..SBendtrans-90.1-53.7174.3-177.7-87.6000110.4D96 M100 R130 D131D96-Y98 WeakPolarHBondContact OD1-CA 3.2Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.46Å; D96-Y98 PolarHBondContact OD1-N 2.9Å; Y98-M100 PolarHBondContact O-N 2.88Å; Y98-R130 VanDerWaalsContact CD1-NH2 3.31Å; Y98-R130 VanDerWaalsContact CE1-NH2 3.25Å; Y98-R130 VanDerWaalsContact CG-NE 3.35Å; Y98-D131 WeakPolarHBondContact CD2-OD2 3.26Å
99W91.4Very high97.2Very high137 Ų13751.7 Ų51.752%0.51924%0.242SC..SBendtrans-93.572.8171.1-58.4119.5000109.6T65 D96 E101T65-W99 HydrophobicContact CG2-CB 4.07Å; D96-W99 PolarHBondContact OD1-N 2.97Å; W99-E101 VanDerWaalsContact C-N 3.28Å; W99-E101 PolarHBondContact O-N 2.97Å
100M91.4Very high97.2Very high83 Ų8352.3 Ų52.341%0.40925%0.246SC..  trans-7774.3-175.6-166.879.171.800111.9Y97 Y98 K104Y97-M100 HydrophobicContact CD1-CE 3.76Å; Y97-M100 HydrophobicContact CD1-SD 4.21Å; Y97-M100 HydrophobicContact CG-CE 3.91Å; Y98-M100 PolarHBondContact O-N 2.88Å; M100-K104 HydrophobicContact CE-CG 4.11Å; M100-K104 HydrophobicContact SD-CG 4.28Å
101E93.1Very high97.2Very high132 Ų13252.4 Ų52.462%0.61725%0.246SC*.SBendtrans-74-29.5175.1-62.4-57.4145.300112.2T65 W99T65-E101 HydrophobicContact CG2-CG 4.34Å; W99-E101 VanDerWaalsContact C-N 3.28Å; W99-E101 PolarHBondContact O-N 2.97Å
102D95.3Very high97.2Very high32 Ų3255.4 Ų55.417%0.17126%0.257CS..SBendtrans-131.4151.4179.6-76.4-71.8000112.4A67 G68 V106 Q107A67-D102 HydrophobicContact CB-CB 4.4Å; A67-D102 PolarHBondContact N-OD2 2.9Å; G68-D102 WeakPolarHBondContact CA-OD1 3.38Å; G68-D102 WeakPolarHBondContact CA-OD2 3.43Å; G68-D102 PolarHBondContact N-OD1 3.48Å; G68-D102 PolarHBondContact N-OD2 3.25Å; D102-V106 HydrophobicContact CB-CB 4.3Å; D102-V106 HydrophobicContact CB-CG1 4.23Å; D102-Q107 HydrophobicContact CB-CG 4.24Å; D102-Q107 PolarHBondContact O-NE2 2.68Å; D102-Q107 VanDerWaalsContact O-NE2 3.16Å
103P96.6Very high97.2Very high72 Ų7259 Ų5947%0.46827%0.271SS..  trans-56.3148.4174.6-23.333000113E105 V106 Q107P103-E105 PolarHBondContact O-N 2.9Å; P103-E105 VanDerWaalsContact O-N 3.08Å; P103-V106 HydrophobicContact CB-CG2 4.32Å; P103-V106 HydrophobicContact CG-CG2 4.3Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.3Å; P103-Q107 PolarHBondContact O-N 2.9Å; P103-Q107 VanDerWaalsContact O-N 3.11Å
104K97.8Very high97.2Very high86 Ų8659 Ų5937%0.37427%0.271SS..Hα-helixtrans-51.5-38179.7-64.5-168.7169.4-162.20113Y97 M100 V106 Q107 A108 D135Y97-K104 HydrophobicContact CD1-CD 4.46Å; Y97-K104 HydrophobicContact CD1-CG 4.1Å; Y97-K104 HydrophobicContact CD2-CD 4.39Å; Y97-K104 VanDerWaalsContact CD2-CE 3.5Å; Y97-K104 HydrophobicContact CE1-CB 4.16Å; Y97-K104 HydrophobicContact CE1-CD 3.94Å; Y97-K104 HydrophobicContact CE1-CG 3.59Å; Y97-K104 HydrophobicContact CE2-CD 3.84Å; Y97-K104 HydrophobicContact CE2-CG 4.42Å; M100-K104 HydrophobicContact CE-CG 4.11Å; M100-K104 HydrophobicContact SD-CG 4.28Å; K104-V106 VanDerWaalsContact C-N 3.33Å; K104-Q107 PolarHBondContact O-N 2.96Å; K104-A108 VanDerWaalsContact O-CB 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.42Å; K104-A108 PolarHBondContact O-N 3.43Å; K104-D135 IonicContact NZ-OD2 3.66Å
105E98Very high97.2Very high143 Ų14359 Ų5967%0.66827%0.27SS*.Hα-helixtrans-66.9-35.2-179.6-61.673.3-160.300112.1P103 K109P103-E105 PolarHBondContact O-N 2.9Å; P103-E105 VanDerWaalsContact O-N 3.08Å; E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.45Å; E105-K109 PolarHBondContact O-N 3.4Å
106V98.5Very high97.2Very high50 Ų5060.2 Ų60.230%0.30328%0.28SS..Hα-helixtrans-70.7-50.1176.3177.10000109.6A67 D102 P103 K104 A108 K109 V110A67-V106 HydrophobicContact CB-CG1 4.07Å; D102-V106 HydrophobicContact CB-CB 4.3Å; D102-V106 HydrophobicContact CB-CG1 4.23Å; P103-V106 HydrophobicContact CB-CG2 4.32Å; P103-V106 HydrophobicContact CG-CG2 4.3Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.3Å; K104-V106 VanDerWaalsContact C-N 3.33Å; V106-A108 VanDerWaalsContact C-N 3.35Å; V106-A108 PolarHBondContact O-N 2.83Å; V106-K109 PolarHBondContact O-N 3.17Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.42Å
107Q98.6Very high97.2Very high1 Ų160.1 Ų60.11%0.00528%0.28CS..Hα-helixtrans-56.5-48.5176.3-60.1-171.717.600111.2P64 A67 L95 D96 D102 P103 K104 K109 V110 F111P64-Q107 HydrophobicContact CB-CG 4.27Å; A67-Q107 HydrophobicContact CB-CB 4.49Å; A67-Q107 HydrophobicContact CB-CG 4.18Å; L95-Q107 HydrophobicContact CD2-CB 3.67Å; D96-Q107 PolarHBondContact O-NE2 2.83Å; D96-Q107 PolarHBondContact O-OE1 3.02Å; D102-Q107 HydrophobicContact CB-CG 4.24Å; D102-Q107 PolarHBondContact O-NE2 2.68Å; D102-Q107 VanDerWaalsContact O-NE2 3.16Å; P103-Q107 PolarHBondContact O-N 2.9Å; P103-Q107 VanDerWaalsContact O-N 3.11Å; K104-Q107 PolarHBondContact O-N 2.96Å; Q107-K109 VanDerWaalsContact C-N 3.35Å; Q107-K109 PolarHBondContact O-N 3.16Å; Q107-V110 PolarHBondContact O-N 3.34Å; Q107-F111 WeakPolarHBondContact O-CB 3.32Å; Q107-F111 PolarHBondContact O-N 3.02Å
108A98.8Very high97.3Very high21 Ų2158.4 Ų58.417%0.17427%0.273CS..Hα-helixtrans-63.1-38.2179.700000112.8L95 K104 V106 R112 I139L95-A108 HydrophobicContact CD2-CB 4.4Å; K104-A108 VanDerWaalsContact O-CB 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.42Å; K104-A108 PolarHBondContact O-N 3.43Å; V106-A108 VanDerWaalsContact C-N 3.35Å; V106-A108 PolarHBondContact O-N 2.83Å; A108-R112 WeakPolarHBondContact O-CB 3.32Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.05Å; A108-R112 PolarHBondContact O-N 3.02Å; A108-I139 HydrophobicContact CB-CD1 3.93Å
109K98.7Very high97.4Very high163 Ų16356.7 Ų56.771%0.70927%0.268SS*.Hα-helixtrans-63.9-47.5176.6179.5-176.1175-171.60111.4E105 V106 Q107 R113E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.45Å; E105-K109 PolarHBondContact O-N 3.4Å; V106-K109 PolarHBondContact O-N 3.17Å; Q107-K109 VanDerWaalsContact C-N 3.35Å; Q107-K109 PolarHBondContact O-N 3.16Å; K109-R113 PolarHBondContact O-N 2.82Å
110V98.8Very high97.8Very high13 Ų1356.6 Ų56.68%0.07927%0.273CS..Hα-helixtrans-66.7-42.6179.3172.90000110.5A67 Y70 V106 Q107 R112 R113 Q114A67-V110 HydrophobicContact CB-CB 4.19Å; A67-V110 HydrophobicContact CB-CG1 4.48Å; A67-V110 HydrophobicContact CB-CG2 4.11Å; A67-V110 WeakPolarHBondContact O-CG2 3.43Å; Y70-V110 HydrophobicContact CD1-CG1 3.98Å; Y70-V110 HydrophobicContact CD1-CG2 4.03Å; Y70-V110 HydrophobicContact CD2-CG1 4.23Å; Y70-V110 HydrophobicContact CG-CG1 3.8Å; Y70-V110 HydrophobicContact CG-CG2 4.17Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.42Å; Q107-V110 PolarHBondContact O-N 3.34Å; V110-R112 PolarHBondContact O-N 3.31Å; V110-R113 PolarHBondContact O-N 3.06Å; V110-Q114 WeakPolarHBondContact O-CG 3.32Å; V110-Q114 PolarHBondContact O-N 2.58Å
111F98.9Very high98.1Very high2 Ų255.3 Ų55.31%0.00927%0.267CS..Hα-helixtrans-57.9-49.8176.3-178.2-158000112I93 L95 Q107 R113 Q114 I115 I127 T136 I139 L140I93-F111 HydrophobicContact CB-CD2 4.15Å; I93-F111 HydrophobicContact CB-CE2 4.49Å; I93-F111 HydrophobicContact CD1-CD2 3.77Å; I93-F111 HydrophobicContact CD1-CE2 3.71Å; I93-F111 HydrophobicContact CG1-CD2 3.84Å; I93-F111 HydrophobicContact CG1-CE2 3.74Å; L95-F111 HydrophobicContact CD2-CD1 4.33Å; L95-F111 HydrophobicContact CG-CD1 4.05Å; L95-F111 HydrophobicContact CG-CE1 4.48Å; Q107-F111 WeakPolarHBondContact O-CB 3.32Å; Q107-F111 PolarHBondContact O-N 3.02Å; F111-R113 PolarHBondContact O-N 3.28Å; F111-Q114 PolarHBondContact O-N 2.99Å; F111-I115 HydrophobicContact CD2-CD1 3.74Å; F111-I115 HydrophobicContact CD2-CG1 3.97Å; F111-I115 HydrophobicContact CE1-CD1 4.36Å; F111-I115 HydrophobicContact CE2-CD1 3.42Å; F111-I115 VanDerWaalsContact CE2-CD1 3.42Å; F111-I115 HydrophobicContact CE2-CG1 3.73Å; F111-I115 HydrophobicContact CG-CD1 4.33Å; F111-I115 HydrophobicContact CZ-CD1 3.77Å; F111-I115 WeakPolarHBondContact O-CG1 3.22Å; F111-I115 PolarHBondContact O-N 2.69Å; F111-I127 HydrophobicContact CE2-CD1 3.55Å; F111-I127 HydrophobicContact CZ-CD1 3.85Å; F111-I127 HydrophobicContact CZ-CG2 4.32Å; F111-T136 HydrophobicContact CE1-CG2 4.24Å; F111-T136 HydrophobicContact CZ-CG2 4.38Å; F111-I139 HydrophobicContact CD1-CB 4.2Å; F111-I139 HydrophobicContact CD1-CD1 3.58Å; F111-I139 HydrophobicContact CD1-CG1 4.47Å; F111-I139 HydrophobicContact CD1-CG2 3.68Å; F111-I139 HydrophobicContact CE1-CB 3.94Å; F111-I139 HydrophobicContact CE1-CD1 4.02Å; F111-I139 HydrophobicContact CE1-CG2 3.61Å; F111-I139 HydrophobicContact CG-CG2 4.35Å; F111-I139 HydrophobicContact CZ-CG2 4.25Å; F111-L140 HydrophobicContact CE2-CD2 4.33Å; F111-L140 HydrophobicContact CZ-CD2 3.76Å; F111-L140 HydrophobicContact CZ-CG 4.11Å
112R98.8Very high98.3Very high63 Ų6352.6 Ų52.624%0.23826%0.257CS..Hα-helixtrans-61.2-41.5176.3-72.8-177.9-170.8-723112.9A108 V110 Q114 I115 A116 I139 E142 E143A108-R112 WeakPolarHBondContact O-CB 3.32Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.05Å; A108-R112 PolarHBondContact O-N 3.02Å; V110-R112 PolarHBondContact O-N 3.31Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.11Å; R112-I115 PolarHBondContact O-N 2.9Å; R112-A116 PolarHBondContact O-N 3.47Å; R112-I139 HydrophobicContact CG-CG2 3.83Å; R112-I139 VanDerWaalsContact NH2-CG1 3.34Å; R112-E142 IonicContact CZ-OE2 3.19Å; R112-E142 IonicContact NH1-OE2 3.9Å; R112-E142 PolarHBondContact NH1-OE2 3.4Å; R112-E142 IonicContact NH2-OE2 3.28Å; R112-E142 PolarHBondContact NH2-OE2 3.39Å; R112-E143 VanDerWaalsContact CD-OE1 3.28Å; R112-E143 WeakPolarHBondContact CD-OE1 3.46Å; R112-E143 HydrophobicContact CG-CG 4.18Å; R112-E143 WeakPolarHBondContact CG-OE1 3.42Å; R112-E143 IonicContact CZ-OE1 3.59Å; R112-E143 IonicContact NE-OE1 3.57Å; R112-E143 IonicContact NH1-OE1 2.68Å; R112-E143 PolarHBondContact NH1-OE1 3.05Å
113R98.8Very high98.5Very high81 Ų8152.3 Ų52.331%0.30626%0.255SS..Hα-helixtrans-62.5-42.3178.7-179.854.2-173.7147.62.3111.3Y70 E75 K109 V110 F111 A116 I117 E120Y70-R113 HydrophobicContact CE1-CG 4.32Å; E75-R113 VanDerWaalsContact CD-NE 3.26Å; E75-R113 IonicContact OE1-CZ 2.63Å; E75-R113 VanDerWaalsContact OE1-CZ 3.28Å; E75-R113 IonicContact OE1-NE 3.32Å; E75-R113 PolarHBondContact OE1-NE 3.03Å; E75-R113 IonicContact OE1-NH2 2.68Å; E75-R113 PolarHBondContact OE1-NH2 2.81Å; E75-R113 WeakPolarHBondContact OE2-CG 3.26Å; E75-R113 IonicContact OE2-CZ 3.97Å; E75-R113 IonicContact OE2-NE 2.81Å; E75-R113 PolarHBondContact OE2-NE 2.71Å; K109-R113 PolarHBondContact O-N 2.82Å; V110-R113 PolarHBondContact O-N 3.06Å; F111-R113 PolarHBondContact O-N 3.28Å; R113-A116 WeakPolarHBondContact O-CB 3.13Å; R113-A116 PolarHBondContact O-N 3.36Å; R113-I117 HydrophobicContact CG-CD1 4.27Å; R113-I117 WeakPolarHBondContact O-CG1 3.36Å; R113-I117 PolarHBondContact O-N 2.84Å; R113-E120 IonicContact NH1-OE1 3.95Å; R113-E120 PolarHBondContact NH1-OE1 3.2Å
114Q98.8Very high98.6Very high1 Ų149 Ų491%0.00523%0.234CC..Hα-helixtrans-67-37.6176.8-71.1-170.99400112.8W62 Y70 L90 I93 V110 F111 R112 A116 I117 A118W62-Q114 PolarHBondContact O-NE2 3.38Å; Y70-Q114 HydrophobicContact CE2-CG 4.46Å; L90-Q114 WeakPolarHBondContact CD1-O 3.47Å; L90-Q114 HydrophobicContact CD2-CB 3.82Å; L90-Q114 HydrophobicContact CD2-CG 4.4Å; I93-Q114 HydrophobicContact CD1-CB 4.06Å; I93-Q114 HydrophobicContact CG2-CB 4.02Å; I93-Q114 HydrophobicContact CG2-CG 4.31Å; I93-Q114 VanDerWaalsContact CG2-NE2 3.3Å; V110-Q114 WeakPolarHBondContact O-CG 3.32Å; V110-Q114 PolarHBondContact O-N 2.58Å; F111-Q114 PolarHBondContact O-N 2.99Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.11Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 2.97Å; Q114-I117 PolarHBondContact O-N 3.24Å; Q114-A118 PolarHBondContact O-N 3.43Å
115I98.9Very high98.6Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-60-44.3170.2-67.1164.1000110.9I93 F111 R112 I117 A118 K119 I125 I139 L140 E143 I145I93-I115 HydrophobicContact CD1-CG1 4.12Å; F111-I115 HydrophobicContact CD2-CD1 3.74Å; F111-I115 HydrophobicContact CD2-CG1 3.97Å; F111-I115 HydrophobicContact CE1-CD1 4.36Å; F111-I115 HydrophobicContact CE2-CD1 3.42Å; F111-I115 VanDerWaalsContact CE2-CD1 3.42Å; F111-I115 HydrophobicContact CE2-CG1 3.73Å; F111-I115 HydrophobicContact CG-CD1 4.33Å; F111-I115 HydrophobicContact CZ-CD1 3.77Å; F111-I115 WeakPolarHBondContact O-CG1 3.22Å; F111-I115 PolarHBondContact O-N 2.69Å; R112-I115 PolarHBondContact O-N 2.9Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.37Å; I115-A118 WeakPolarHBondContact O-CB 3.44Å; I115-A118 PolarHBondContact O-N 3.44Å; I115-K119 HydrophobicContact CG2-CD 4.15Å; I115-K119 HydrophobicContact CG2-CG 4.4Å; I115-K119 WeakPolarHBondContact O-CG 3.34Å; I115-K119 PolarHBondContact O-N 2.89Å; I115-I125 HydrophobicContact CG1-CD1 4.3Å; I115-I139 HydrophobicContact CD1-CG2 3.69Å; I115-L140 HydrophobicContact CD1-CD2 3.99Å; I115-E143 HydrophobicContact CB-CG 4.42Å; I115-E143 HydrophobicContact CD1-CB 4.3Å; I115-E143 HydrophobicContact CD1-CG 3.95Å; I115-E143 HydrophobicContact CG2-CB 3.68Å; I115-E143 HydrophobicContact CG2-CG 4.09Å; I115-I145 HydrophobicContact CG2-CG2 3.61Å
116A98.8Very high98.7Very high26 Ų2638.1 Ų38.122%0.21518%0.184CC..Hα-helixtrans-59.5-43.3178.100000111.8R112 R113 Q114 K119 E120R112-A116 PolarHBondContact O-N 3.47Å; R113-A116 WeakPolarHBondContact O-CB 3.13Å; R113-A116 PolarHBondContact O-N 3.36Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 2.97Å; A116-K119 PolarHBondContact O-N 2.95Å; A116-E120 WeakPolarHBondContact O-CG 3.39Å; A116-E120 PolarHBondContact O-N 3.23Å
117I98.8Very high98.7Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-60.9-46.3174.5-65.5163.7000110.9E75 I79 L82 L90 R113 Q114 I115 K119 E120 M121E75-I117 HydrophobicContact CG-CD1 3.65Å; I79-I117 HydrophobicContact CD1-CD1 4.25Å; I79-I117 HydrophobicContact CD1-CG1 4.3Å; I79-I117 HydrophobicContact CD1-CG2 4.42Å; I79-I117 HydrophobicContact CG1-CD1 4.35Å; I79-I117 HydrophobicContact CG1-CG2 3.84Å; L82-I117 HydrophobicContact CD1-CG2 4.04Å; L90-I117 HydrophobicContact CD1-CB 4.04Å; L90-I117 HydrophobicContact CD1-CG2 3.75Å; R113-I117 HydrophobicContact CG-CD1 4.27Å; R113-I117 WeakPolarHBondContact O-CG1 3.36Å; R113-I117 PolarHBondContact O-N 2.84Å; Q114-I117 PolarHBondContact O-N 3.24Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.37Å; I117-K119 VanDerWaalsContact C-N 3.26Å; I117-K119 PolarHBondContact O-N 3.27Å; I117-E120 PolarHBondContact O-N 2.94Å; I117-M121 HydrophobicContact CG2-CG 4.38Å; I117-M121 HydrophobicContact CG2-SD 3.85Å; I117-M121 WeakPolarHBondContact O-CB 3.41Å; I117-M121 WeakPolarHBondContact O-CG 3.39Å; I117-M121 PolarHBondContact O-N 2.91Å
118A98.8Very high98.7Very high0 Ų036.7 Ų36.70%017%0.174CC..Hα-helixtrans-58.1-40.1177.400000111.6L90 Q114 I115 M121 N122 L123 I125 I148L90-A118 HydrophobicContact CB-CB 4.14Å; L90-A118 HydrophobicContact CD1-CB 4.06Å; Q114-A118 PolarHBondContact O-N 3.43Å; I115-A118 WeakPolarHBondContact O-CB 3.44Å; I115-A118 PolarHBondContact O-N 3.44Å; A118-M121 CarbonylContact O-C 3.55Å; A118-M121 PolarHBondContact O-N 3.25Å; A118-N122 CarbonylContact O-C 3.58Å; A118-N122 WeakPolarHBondContact O-CA 3.36Å; A118-N122 PolarHBondContact O-N 3.34Å; A118-L123 PolarHBondContact O-N 2.97Å; A118-I125 HydrophobicContact CB-CG2 3.38Å; A118-I148 HydrophobicContact CB-CD1 3.83Å
119K98.7Very high98.7Very high85 Ų8536.4 Ų36.437%0.3717%0.171SC..Hα-helixtrans-66.4-45.9174.8-68.6178.868.1170.20112.5I115 A116 I117 M121 N122 E143 D144 I148I115-K119 HydrophobicContact CG2-CD 4.15Å; I115-K119 HydrophobicContact CG2-CG 4.4Å; I115-K119 WeakPolarHBondContact O-CG 3.34Å; I115-K119 PolarHBondContact O-N 2.89Å; A116-K119 PolarHBondContact O-N 2.95Å; I117-K119 VanDerWaalsContact C-N 3.26Å; I117-K119 PolarHBondContact O-N 3.27Å; K119-M121 PolarHBondContact O-N 2.6Å; K119-N122 PolarHBondContact O-N 3.33Å; K119-N122 VanDerWaalsContact O-N 3.15Å; K119-E143 PolarHBondContact NZ-O 3.5Å; K119-D144 PolarHBondContact NZ-O 3.13Å; K119-I148 HydrophobicContact CG-CD1 3.74Å; K119-I148 HydrophobicContact CG-CG1 4.34Å; K119-I148 HydrophobicContact CG-CG2 4.39Å
120E98.4Very high98.6Very high134 Ų13433 Ų3363%0.62615%0.153SC*.Hα-helixtrans-58.2-38.1176.9-72.3169.3-151.600111.7R113 A116 I117R113-E120 IonicContact NH1-OE1 3.95Å; R113-E120 PolarHBondContact NH1-OE1 3.2Å; A116-E120 WeakPolarHBondContact O-CG 3.39Å; A116-E120 PolarHBondContact O-N 3.23Å; I117-E120 PolarHBondContact O-N 2.94Å
121M98.2Very high98.5Very high56 Ų5638.1 Ų38.128%0.27618%0.18SC..THydrogen-bonded Turntrans-92.1-2.5-179.8-59.6-174.573.800113.6I79 L82 T83 I117 A118 K119 L123I79-M121 HydrophobicContact CG2-SD 4.33Å; L82-M121 HydrophobicContact CB-CE 3.57Å; L82-M121 HydrophobicContact CB-SD 3.89Å; L82-M121 HydrophobicContact CD1-SD 3.84Å; T83-M121 HydrophobicContact CG2-CE 3.7Å; I117-M121 HydrophobicContact CG2-CG 4.38Å; I117-M121 HydrophobicContact CG2-SD 3.85Å; I117-M121 WeakPolarHBondContact O-CB 3.41Å; I117-M121 WeakPolarHBondContact O-CG 3.39Å; I117-M121 PolarHBondContact O-N 2.91Å; A118-M121 CarbonylContact O-C 3.55Å; A118-M121 PolarHBondContact O-N 3.25Å; K119-M121 PolarHBondContact O-N 2.6Å; M121-L123 VanDerWaalsContact C-N 3.33Å; M121-L123 HydrophobicContact CB-CD1 3.92Å; M121-L123 HydrophobicContact CB-CG 3.98Å; M121-L123 HydrophobicContact CE-CD1 4.34Å; M121-L123 PolarHBondContact O-N 3.5Å; M121-L123 HydrophobicContact SD-CD1 4.35Å
122N97.9Very high98.4Very high76 Ų7638.2 Ų38.241%0.40618%0.181SC..THydrogen-bonded Turntrans5049.5-172.7-174.520.2000112.4A118 K119 R253A118-N122 CarbonylContact O-C 3.58Å; A118-N122 WeakPolarHBondContact O-CA 3.36Å; A118-N122 PolarHBondContact O-N 3.34Å; K119-N122 PolarHBondContact O-N 3.33Å; K119-N122 VanDerWaalsContact O-N 3.15Å; N122-R253 PolarHBondContact ND2-NH1 3.17Å; N122-R253 PolarHBondContact O-NH1 3.2Å; N122-R253 PolarHBondContact O-NH2 3.31Å; N122-R253 PolarHBondContact OD1-NH2 2.68Å
123L98.6Very high98.4Very high25 Ų2536.9 Ų36.913%0.13118%0.179CC..  trans-107.9139.8178-69.9173.5000110.6L82 A118 M121 I148L82-L123 HydrophobicContact CB-CD1 4.19Å; L82-L123 HydrophobicContact CD2-CD1 3.87Å; L82-L123 HydrophobicContact CG-CD1 4.46Å; A118-L123 PolarHBondContact O-N 2.97Å; M121-L123 VanDerWaalsContact C-N 3.33Å; M121-L123 HydrophobicContact CB-CD1 3.92Å; M121-L123 HydrophobicContact CB-CG 3.98Å; M121-L123 HydrophobicContact CE-CD1 4.34Å; M121-L123 PolarHBondContact O-N 3.5Å; M121-L123 HydrophobicContact SD-CD1 4.35Å; L123-I148 WeakPolarHBondContact O-CB 3.2Å
124P98.7Very high98.4Very high2 Ų239.6 Ų39.61%0.01320%0.195CC..  trans-64.5156.2169.831-35.8000110.6V88 A89 L90 L251 F252V88-P124 WeakPolarHBondContact O-CD 3.34Å; V88-P124 WeakPolarHBondContact O-CG 3.37Å; A89-P124 VanDerWaalsContact CA-O 3.3Å; A89-P124 WeakPolarHBondContact CA-O 3.41Å; A89-P124 HydrophobicContact CB-CG 3.91Å; A89-P124 VanDerWaalsContact CB-O 3.29Å; A89-P124 WeakPolarHBondContact CB-O 3.45Å; L90-P124 PolarHBondContact N-O 3.41Å; P124-L251 HydrophobicContact CB-CD1 3.64Å; P124-L251 HydrophobicContact CB-CG 4.13Å; P124-L251 HydrophobicContact CG-CD1 4.34Å; P124-L251 HydrophobicContact CG-CG 4.45Å; P124-F252 HydrophobicContact CG-CD1 4.48Å
125I98.9Very high98.4Very high1 Ų142.3 Ų42.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-108.1146178.559.4-166.7000112.7L90 I93 I115 A118 I127 L140 I145 I148 G149 G150 I151 M170L90-I125 CarbonylContact O-C 3.57Å; L90-I125 WeakPolarHBondContact O-CA 3.36Å; I93-I125 HydrophobicContact CD1-CB 4.2Å; I93-I125 HydrophobicContact CD1-CG2 4.07Å; I115-I125 HydrophobicContact CG1-CD1 4.3Å; A118-I125 HydrophobicContact CB-CG2 3.38Å; I125-I127 HydrophobicContact CB-CD1 3.99Å; I125-I127 HydrophobicContact CD1-CD1 3.81Å; I125-I127 HydrophobicContact CD1-CG1 4.29Å; I125-I127 HydrophobicContact CG1-CD1 3.76Å; I125-I127 HydrophobicContact CG1-CG1 4.05Å; I125-L140 HydrophobicContact CD1-CD2 3.75Å; I125-I145 HydrophobicContact CD1-CB 4.24Å; I125-I145 HydrophobicContact CD1-CG2 3.95Å; I125-I148 HydrophobicContact CD1-CD1 4.46Å; I125-I148 HydrophobicContact CG2-CD1 4.06Å; I125-G149 PolarHBondContact N-O 3.47Å; I125-G150 CarbonylContact O-C 3.22Å; I125-G150 VanDerWaalsContact O-C 3.32Å; I125-G150 WeakPolarHBondContact O-CA 3.49Å; I125-I151 PolarHBondContact O-N 2.9Å; I125-M170 HydrophobicContact CG1-CE 4.31Å
126S98.9Very high98.4Very high0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-109.8122.4167.5-167.80000110.3L90 I93L90-S126 PolarHBondContact O-N 3.03Å; I93-S126 PolarHBondContact N-O 2.94Å
127I98.9Very high98.4Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-109.6118.5-165.7-56.4-54000112.5I93 F111 I125 T136 L140 I151 M152 H153 M170I93-I127 HydrophobicContact CD1-CD1 3.95Å; I93-I127 HydrophobicContact CG1-CD1 3.54Å; I93-I127 CarbonylContact O-C 3.58Å; I93-I127 VanDerWaalsContact O-CA 3.26Å; I93-I127 WeakPolarHBondContact O-CA 3.27Å; F111-I127 HydrophobicContact CE2-CD1 3.55Å; F111-I127 HydrophobicContact CZ-CD1 3.85Å; F111-I127 HydrophobicContact CZ-CG2 4.32Å; I125-I127 HydrophobicContact CB-CD1 3.99Å; I125-I127 HydrophobicContact CD1-CD1 3.81Å; I125-I127 HydrophobicContact CD1-CG1 4.29Å; I125-I127 HydrophobicContact CG1-CD1 3.76Å; I125-I127 HydrophobicContact CG1-CG1 4.05Å; I127-T136 HydrophobicContact CG2-CG2 3.65Å; I127-L140 HydrophobicContact CD1-CD2 4.23Å; I127-L140 HydrophobicContact CG1-CD1 4.4Å; I127-L140 HydrophobicContact CG1-CD2 4.34Å; I127-I151 WeakPolarHBondContact CB-O 3.26Å; I127-I151 PolarHBondContact N-O 3.32Å; I127-M152 HydrophobicContact CB-CE 4.24Å; I127-M152 HydrophobicContact CB-SD 3.92Å; I127-M152 HydrophobicContact CG1-SD 4.3Å; I127-M152 HydrophobicContact CG2-CE 3.8Å; I127-M152 HydrophobicContact CG2-SD 3.98Å; I127-H153 PolarHBondContact O-CD2 3.46Å; I127-H153 PolarHBondContact O-N 2.94Å; I127-M170 HydrophobicContact CB-CE 4.34Å; I127-M170 HydrophobicContact CG1-CE 3.54Å
128H98.7Very high98.4Very high21 Ų2147.8 Ų47.810%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-77.1133.3159.8-167.583.2000111.2H63 P64 E92 I93 G94 L95 D96 R130 H153H63-H128 AromaticContact NE2-CD2 3.91Å; H63-H128 AromaticContact NE2-CE1 3.76Å; H63-H128 AromaticContact NE2-CG 3.49Å; H63-H128 AromaticContact NE2-ND1 3.41Å; H63-H128 PolarHBondContact NE2-ND1 3.02Å; P64-H128 HydrophobicContact CG-CB 4.33Å; E92-H128 HydrophobicContact CG-CB 3.64Å; E92-H128 VanDerWaalsContact OE1-CB 3.26Å; E92-H128 WeakPolarHBondContact OE1-CB 3.46Å; E92-H128 IonicContact OE1-CE1 2.61Å; E92-H128 IonicContact OE1-CG 3.83Å; E92-H128 VanDerWaalsContact OE1-CG 3.28Å; E92-H128 IonicContact OE1-ND1 3.8Å; E92-H128 PolarHBondContact OE1-ND1 2.95Å; I93-H128 PolarHBondContact O-N 2.81Å; G94-H128 WeakPolarHBondContact CA-O 3.5Å; L95-H128 PolarHBondContact N-O 3.32Å; L95-H128 VanDerWaalsContact N-O 3.16Å; L95-H128 PolarHBondContact O-CD2 2.63Å; D96-H128 IonicContact OD2-NE2 2.83Å; D96-H128 PolarHBondContact OD2-NE2 3.04Å; H128-R130 WeakPolarHBondContact NE2-CB 3.28Å; H128-H153 AromaticContact ND1-NE2 3.56Å
129T98.5Very high98.4Very high16 Ų1648 Ų4810%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-148122.5166.1-1720000110.5L95 L133 T136 M152L95-T129 VanDerWaalsContact O-CA 3.32Å; L95-T129 WeakPolarHBondContact O-CA 3.32Å; T129-L133 HydrophobicContact CG2-CD2 3.55Å; T129-L133 HydrophobicContact CG2-CG 4.43Å; T129-L133 PolarHBondContact OG1-N 3.43Å; T129-T136 WeakPolarHBondContact CB-OG1 3.5Å; T129-T136 PolarHBondContact OG1-OG1 2.77Å; T129-M152 HydrophobicContact CG2-CE 3.59Å
130R97.3Very high98.4Very high92 Ų9244 Ų4435%0.34721%0.211SC..EExtended strand (participates in β ladder)trans-138121.9178-171.2173.3179.9165.2-1110.4L95 Y97 Y98 H128 A132L95-R130 PolarHBondContact O-N 2.84Å; Y97-R130 PolarHBondContact N-O 3.35Å; Y98-R130 VanDerWaalsContact CD1-NH2 3.31Å; Y98-R130 VanDerWaalsContact CE1-NH2 3.25Å; Y98-R130 VanDerWaalsContact CG-NE 3.35Å; H128-R130 WeakPolarHBondContact NE2-CB 3.28Å; R130-A132 WeakPolarHBondContact O-CB 3.34Å; R130-A132 PolarHBondContact O-N 3.18Å
131D96.6Very high98.4Very high119 Ų11943.4 Ų43.464%0.63621%0.207SC*.SBendtrans51.723.2-171.7-63-16.1000113.9Y97 Y98Y97-D131 VanDerWaalsContact CD2-O 3.32Å; Y97-D131 WeakPolarHBondContact CD2-O 3.41Å; Y98-D131 WeakPolarHBondContact CD2-OD2 3.26Å
132A97.6Very high98.4Very high4 Ų445.9 Ų45.93%0.03322%0.218CC..  trans-135.314-169.600000114.5L95 Y97 R130 E134 D135 T136L95-A132 HydrophobicContact CB-CB 3.56Å; L95-A132 HydrophobicContact CD1-CB 4.24Å; Y97-A132 HydrophobicContact CD1-CB 4.09Å; Y97-A132 HydrophobicContact CD2-CB 3.52Å; Y97-A132 HydrophobicContact CE1-CB 4.17Å; Y97-A132 HydrophobicContact CE2-CB 3.63Å; Y97-A132 HydrophobicContact CG-CB 3.76Å; R130-A132 WeakPolarHBondContact O-CB 3.34Å; R130-A132 PolarHBondContact O-N 3.18Å; A132-E134 VanDerWaalsContact C-N 3.3Å; A132-E134 PolarHBondContact O-N 2.94Å; A132-E134 VanDerWaalsContact O-N 3.14Å; A132-D135 PolarHBondContact O-N 3.47Å; A132-D135 VanDerWaalsContact O-N 3.15Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.36Å; A132-T136 VanDerWaalsContact O-OG1 3.13Å
133L97.4Very high98.4Very high36 Ų3644.6 Ų44.619%0.18821%0.209CC..Hα-helixtrans-51-43.3-171.3-78.7171.3000114.3T129 Y137 F155 W161 F165T129-L133 HydrophobicContact CG2-CD2 3.55Å; T129-L133 HydrophobicContact CG2-CG 4.43Å; T129-L133 PolarHBondContact OG1-N 3.43Å; L133-Y137 WeakPolarHBondContact O-CB 3.32Å; L133-Y137 PolarHBondContact O-N 3.34Å; L133-F155 HydrophobicContact CD2-CE2 4.5Å; L133-W161 HydrophobicContact CB-CZ2 4.47Å; L133-W161 HydrophobicContact CD1-CG 4.39Å; L133-F165 HydrophobicContact CD2-CE2 3.83Å; L133-F165 HydrophobicContact CD2-CZ 4.02Å
134E98.4Very high98.4Very high137 Ų13746.1 Ų46.164%0.6422%0.218SC*.Hα-helixtrans-68.1-44.1-177.7-174.9164.4-153.700112.5A132 Y137 K138 W161A132-E134 VanDerWaalsContact C-N 3.3Å; A132-E134 PolarHBondContact O-N 2.94Å; A132-E134 VanDerWaalsContact O-N 3.14Å; E134-Y137 PolarHBondContact O-N 2.96Å; E134-K138 WeakPolarHBondContact O-CB 3.47Å; E134-K138 PolarHBondContact O-N 3.4Å; E134-W161 HydrophobicContact CB-CH2 3.97Å; E134-W161 HydrophobicContact CB-CZ2 4.36Å; E134-W161 HydrophobicContact CG-CH2 4.34Å
135D98.7Very high98.3Very high59 Ų5946.1 Ų46.132%0.31622%0.217SC..Hα-helixtrans-69.6-37.9177.3-74.8-23.3000110.9L95 Y97 K104 A132 K138 I139L95-D135 HydrophobicContact CD1-CB 3.68Å; Y97-D135 HydrophobicContact CE2-CB 4.22Å; Y97-D135 VanDerWaalsContact CE2-OD2 3.3Å; Y97-D135 WeakPolarHBondContact CE2-OD2 3.44Å; Y97-D135 PolarHBondContact OH-OD2 3.03Å; Y97-D135 VanDerWaalsContact OH-OD2 3.05Å; K104-D135 IonicContact NZ-OD2 3.66Å; A132-D135 PolarHBondContact O-N 3.47Å; A132-D135 VanDerWaalsContact O-N 3.15Å; D135-K138 PolarHBondContact O-N 3Å; D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 3.18Å
136T98.8Very high98.2Very high0 Ų053.5 Ų53.50%025%0.245CC..Hα-helixtrans-60.1-48.9172.7-60.10000110.8F111 I127 T129 A132 K138 I139 L140 M152 F165F111-T136 HydrophobicContact CE1-CG2 4.24Å; F111-T136 HydrophobicContact CZ-CG2 4.38Å; I127-T136 HydrophobicContact CG2-CG2 3.65Å; T129-T136 WeakPolarHBondContact CB-OG1 3.5Å; T129-T136 PolarHBondContact OG1-OG1 2.77Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.36Å; A132-T136 VanDerWaalsContact O-OG1 3.13Å; T136-K138 VanDerWaalsContact C-N 3.34Å; T136-K138 PolarHBondContact O-N 3.34Å; T136-I139 PolarHBondContact O-N 2.91Å; T136-L140 HydrophobicContact CG2-CD1 3.96Å; T136-L140 HydrophobicContact CG2-CG 4.4Å; T136-L140 WeakPolarHBondContact O-CG 3.34Å; T136-L140 PolarHBondContact O-N 3.23Å; T136-M152 HydrophobicContact CG2-CE 4.13Å; T136-F165 HydrophobicContact CG2-CE1 4.3Å
137Y98.8Very high98Very high30 Ų3060.3 Ų60.312%0.11828%0.281CS..Hα-helixtrans-59.6-44.2177.4174-99.5000112L133 E134 L140 K141 W161 R164 F165 L168L133-Y137 WeakPolarHBondContact O-CB 3.32Å; L133-Y137 PolarHBondContact O-N 3.34Å; E134-Y137 PolarHBondContact O-N 2.96Å; Y137-L140 PolarHBondContact O-N 2.96Å; Y137-K141 HydrophobicContact CE1-CD 3.96Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.34Å; Y137-K141 PolarHBondContact O-N 3.15Å; Y137-W161 HydrophobicContact CD1-CZ3 4.4Å; Y137-W161 HydrophobicContact CD2-CZ3 4.5Å; Y137-W161 AromaticContact CG-CZ3 3.96Å; Y137-W161 HydrophobicContact CG-CZ3 3.96Å; Y137-R164 HydrophobicContact CD2-CB 4.05Å; Y137-R164 HydrophobicContact CE2-CB 3.67Å; Y137-R164 WeakPolarHBondContact CE2-O 3.49Å; Y137-F165 HydrophobicContact CD2-CD1 4.24Å; Y137-F165 HydrophobicContact CD2-CE1 4.15Å; Y137-L168 HydrophobicContact CD2-CD1 3.71Å; Y137-L168 HydrophobicContact CD2-CG 4.47Å; Y137-L168 HydrophobicContact CE2-CD1 3.63Å; Y137-L168 HydrophobicContact CE2-CD2 4.31Å; Y137-L168 HydrophobicContact CE2-CG 3.96Å
138K98.8Very high98Very high110 Ų11060.9 Ų60.948%0.47828%0.284SS..Hα-helixtrans-59.5-48.6178-178.8-179.1174.2-174.60111.4E134 D135 T136 K141 E142E134-K138 WeakPolarHBondContact O-CB 3.47Å; E134-K138 PolarHBondContact O-N 3.4Å; D135-K138 PolarHBondContact O-N 3Å; T136-K138 VanDerWaalsContact C-N 3.34Å; T136-K138 PolarHBondContact O-N 3.34Å; K138-K141 PolarHBondContact O-N 2.78Å; K138-E142 WeakPolarHBondContact CE-OE1 3.34Å; K138-E142 HydrophobicContact CG-CG 4.47Å; K138-E142 WeakPolarHBondContact CG-OE1 3.45Å; K138-E142 WeakPolarHBondContact O-CB 3.33Å; K138-E142 VanDerWaalsContact O-CG 3.28Å; K138-E142 WeakPolarHBondContact O-CG 3.3Å; K138-E142 PolarHBondContact O-N 2.89Å
139I98.9Very high97.9Very high6 Ų660.2 Ų60.23%0.03128%0.283CS..Hα-helixtrans-59.7-52.8178.3-69168.8000110.7L95 A108 F111 R112 I115 D135 T136 K141 E142 E143L95-I139 HydrophobicContact CD1-CD1 3.81Å; L95-I139 HydrophobicContact CD2-CD1 4.32Å; L95-I139 HydrophobicContact CG-CD1 4.33Å; A108-I139 HydrophobicContact CB-CD1 3.93Å; F111-I139 HydrophobicContact CD1-CB 4.2Å; F111-I139 HydrophobicContact CD1-CD1 3.58Å; F111-I139 HydrophobicContact CD1-CG1 4.47Å; F111-I139 HydrophobicContact CD1-CG2 3.68Å; F111-I139 HydrophobicContact CE1-CB 3.94Å; F111-I139 HydrophobicContact CE1-CD1 4.02Å; F111-I139 HydrophobicContact CE1-CG2 3.61Å; F111-I139 HydrophobicContact CG-CG2 4.35Å; F111-I139 HydrophobicContact CZ-CG2 4.25Å; R112-I139 HydrophobicContact CG-CG2 3.83Å; R112-I139 VanDerWaalsContact NH2-CG1 3.34Å; I115-I139 HydrophobicContact CD1-CG2 3.69Å; D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 3.18Å; T136-I139 PolarHBondContact O-N 2.91Å; I139-K141 VanDerWaalsContact C-N 3.26Å; I139-K141 PolarHBondContact O-N 3.22Å; I139-E142 PolarHBondContact O-N 3.34Å; I139-E142 VanDerWaalsContact O-N 3.15Å; I139-E143 HydrophobicContact CG2-CG 4.19Å; I139-E143 WeakPolarHBondContact O-CG 3.31Å; I139-E143 PolarHBondContact O-N 3.47Å
140L98.8Very high97.9Very high0 Ų059.4 Ų59.40%028%0.278CS..Hα-helixtrans-59.8-36.8-178.4-69.1176.4000112.6F111 I115 I125 I127 T136 Y137 D144 I145 M152 F165 L168 M170F111-L140 HydrophobicContact CE2-CD2 4.33Å; F111-L140 HydrophobicContact CZ-CD2 3.76Å; F111-L140 HydrophobicContact CZ-CG 4.11Å; I115-L140 HydrophobicContact CD1-CD2 3.99Å; I125-L140 HydrophobicContact CD1-CD2 3.75Å; I127-L140 HydrophobicContact CD1-CD2 4.23Å; I127-L140 HydrophobicContact CG1-CD1 4.4Å; I127-L140 HydrophobicContact CG1-CD2 4.34Å; T136-L140 HydrophobicContact CG2-CD1 3.96Å; T136-L140 HydrophobicContact CG2-CG 4.4Å; T136-L140 WeakPolarHBondContact O-CG 3.34Å; T136-L140 PolarHBondContact O-N 3.23Å; Y137-L140 PolarHBondContact O-N 2.96Å; L140-D144 PolarHBondContact O-N 2.9Å; L140-I145 HydrophobicContact CB-CG1 4.33Å; L140-I145 HydrophobicContact CD2-CG1 4.29Å; L140-I145 HydrophobicContact CD2-CG2 4.19Å; L140-M152 HydrophobicContact CD1-SD 3.95Å; L140-F165 HydrophobicContact CD1-CD1 4.02Å; L140-F165 HydrophobicContact CD1-CE1 3.98Å; L140-L168 HydrophobicContact CB-CD1 3.82Å; L140-M170 HydrophobicContact CD1-CE 4.39Å
141K98.6Very high98Very high122 Ų12255.1 Ų55.153%0.5326%0.262SS..Hα-helixtrans-69.6-42.4176.2-177175.7-179.1176.50112.4Y137 K138 I139 D144 L168Y137-K141 HydrophobicContact CE1-CD 3.96Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.34Å; Y137-K141 PolarHBondContact O-N 3.15Å; K138-K141 PolarHBondContact O-N 2.78Å; I139-K141 VanDerWaalsContact C-N 3.26Å; I139-K141 PolarHBondContact O-N 3.22Å; K141-D144 PolarHBondContact O-N 2.75Å; K141-L168 HydrophobicContact CB-CD1 4.12Å; K141-L168 HydrophobicContact CB-CD2 4.01Å; K141-L168 HydrophobicContact CG-CD2 4.09Å
142E98.8Very high98.1Very high108 Ų10849.5 Ų49.551%0.50523%0.232SC..Hα-helixtrans-69.9-37179.7-74.4171.117700112.4R112 K138 I139 D144R112-E142 IonicContact CZ-OE2 3.19Å; R112-E142 IonicContact NH1-OE2 3.9Å; R112-E142 PolarHBondContact NH1-OE2 3.4Å; R112-E142 IonicContact NH2-OE2 3.28Å; R112-E142 PolarHBondContact NH2-OE2 3.39Å; K138-E142 WeakPolarHBondContact CE-OE1 3.34Å; K138-E142 HydrophobicContact CG-CG 4.47Å; K138-E142 WeakPolarHBondContact CG-OE1 3.45Å; K138-E142 WeakPolarHBondContact O-CB 3.33Å; K138-E142 VanDerWaalsContact O-CG 3.28Å; K138-E142 WeakPolarHBondContact O-CG 3.3Å; K138-E142 PolarHBondContact O-N 2.89Å; I139-E142 PolarHBondContact O-N 3.34Å; I139-E142 VanDerWaalsContact O-N 3.15Å; E142-D144 VanDerWaalsContact C-N 3.25Å; E142-D144 PolarHBondContact O-N 2.93Å
143E98.3Very high98.1Very high49 Ų4949.8 Ų49.823%0.22923%0.233CC..THydrogen-bonded Turntrans-77.7-8177.7-64.7-55.7142.500113.6R112 I115 K119 I139 I145R112-E143 VanDerWaalsContact CD-OE1 3.28Å; R112-E143 WeakPolarHBondContact CD-OE1 3.46Å; R112-E143 HydrophobicContact CG-CG 4.18Å; R112-E143 WeakPolarHBondContact CG-OE1 3.42Å; R112-E143 IonicContact CZ-OE1 3.59Å; R112-E143 IonicContact NE-OE1 3.57Å; R112-E143 IonicContact NH1-OE1 2.68Å; R112-E143 PolarHBondContact NH1-OE1 3.05Å; I115-E143 HydrophobicContact CB-CG 4.42Å; I115-E143 HydrophobicContact CD1-CB 4.3Å; I115-E143 HydrophobicContact CD1-CG 3.95Å; I115-E143 HydrophobicContact CG2-CB 3.68Å; I115-E143 HydrophobicContact CG2-CG 4.09Å; K119-E143 PolarHBondContact NZ-O 3.5Å; I139-E143 HydrophobicContact CG2-CG 4.19Å; I139-E143 WeakPolarHBondContact O-CG 3.31Å; I139-E143 PolarHBondContact O-N 3.47Å; E143-I145 HydrophobicContact CB-CG2 4.3Å
144D97.7Very high98.2Very high57 Ų5748.9 Ų48.931%0.30523%0.229SC..THydrogen-bonded Turntrans46.778.1-179-166.48.9000113.7K119 L140 K141 E142 R146K119-D144 PolarHBondContact NZ-O 3.13Å; L140-D144 PolarHBondContact O-N 2.9Å; K141-D144 PolarHBondContact O-N 2.75Å; E142-D144 VanDerWaalsContact C-N 3.25Å; E142-D144 PolarHBondContact O-N 2.93Å; D144-R146 VanDerWaalsContact C-N 3.34Å; D144-R146 IonicContact OD1-CZ 3.83Å; D144-R146 VanDerWaalsContact OD1-CZ 3.26Å; D144-R146 IonicContact OD1-NE 3.27Å; D144-R146 PolarHBondContact OD1-NE 2.84Å; D144-R146 IonicContact OD1-NH2 3.66Å; D144-R146 PolarHBondContact OD1-NH2 2.85Å; D144-R146 IonicContact OD2-CZ 3.51Å; D144-R146 IonicContact OD2-NE 3.44Å; D144-R146 IonicContact OD2-NH2 3.87Å; D144-R146 PolarHBondContact OD2-NH2 3.19Å
145I97.1Very high98.2Very high2 Ų242.5 Ų42.51%0.0120%0.2CC..  trans-87.94.5-174.560.683.3000114.1I115 I125 L140 E143 D147 I148 G149 L168 M170I115-I145 HydrophobicContact CG2-CG2 3.61Å; I125-I145 HydrophobicContact CD1-CB 4.24Å; I125-I145 HydrophobicContact CD1-CG2 3.95Å; L140-I145 HydrophobicContact CB-CG1 4.33Å; L140-I145 HydrophobicContact CD2-CG1 4.29Å; L140-I145 HydrophobicContact CD2-CG2 4.19Å; E143-I145 HydrophobicContact CB-CG2 4.3Å; I145-D147 PolarHBondContact O-N 3.16Å; I145-D147 VanDerWaalsContact O-N 3.14Å; I145-I148 HydrophobicContact CB-CD1 4.43Å; I145-I148 HydrophobicContact CB-CG1 4.15Å; I145-I148 VanDerWaalsContact O-CG1 3.24Å; I145-I148 WeakPolarHBondContact O-CG1 3.26Å; I145-I148 PolarHBondContact O-N 3.43Å; I145-I148 VanDerWaalsContact O-N 3.08Å; I145-G149 PolarHBondContact O-N 2.68Å; I145-L168 HydrophobicContact CD1-CB 4.25Å; I145-L168 WeakPolarHBondContact CD1-O 3.17Å; I145-M170 HydrophobicContact CD1-CG 4.07Å; I145-M170 HydrophobicContact CD1-SD 3.4Å; I145-M170 WeakPolarHBondContact CD1-SD 3.34Å; I145-M170 HydrophobicContact CG1-SD 4.32Å
146R96.1Very high98Very high156 Ų15643 Ų4359%0.58921%0.208SC*.THydrogen-bonded Turntrans-58.7-31.7-169.7-76.3174.3-68.4178.42.9114.2D144 L168D144-R146 VanDerWaalsContact C-N 3.34Å; D144-R146 IonicContact OD1-CZ 3.83Å; D144-R146 VanDerWaalsContact OD1-CZ 3.26Å; D144-R146 IonicContact OD1-NE 3.27Å; D144-R146 PolarHBondContact OD1-NE 2.84Å; D144-R146 IonicContact OD1-NH2 3.66Å; D144-R146 PolarHBondContact OD1-NH2 2.85Å; D144-R146 IonicContact OD2-CZ 3.51Å; D144-R146 IonicContact OD2-NE 3.44Å; D144-R146 IonicContact OD2-NH2 3.87Å; D144-R146 PolarHBondContact OD2-NH2 3.19Å; R146-L168 WeakPolarHBondContact CG-O 3.41Å
147D95.7Very high97.7Very high142 Ų14243.3 Ų43.376%0.75921%0.211SC*.THydrogen-bonded Turntrans-75.4-26.3-179-67.2-29.8000113.3I145I145-D147 PolarHBondContact O-N 3.16Å; I145-D147 VanDerWaalsContact O-N 3.14Å
148I97.9Very high97.5Very high12 Ų1243.4 Ų43.46%0.06222%0.216CC..THydrogen-bonded Turntrans-100.9-30179.358.9168.8000112.7A118 K119 L123 I125 I145A118-I148 HydrophobicContact CB-CD1 3.83Å; K119-I148 HydrophobicContact CG-CD1 3.74Å; K119-I148 HydrophobicContact CG-CG1 4.34Å; K119-I148 HydrophobicContact CG-CG2 4.39Å; L123-I148 WeakPolarHBondContact O-CB 3.2Å; I125-I148 HydrophobicContact CD1-CD1 4.46Å; I125-I148 HydrophobicContact CG2-CD1 4.06Å; I145-I148 HydrophobicContact CB-CD1 4.43Å; I145-I148 HydrophobicContact CB-CG1 4.15Å; I145-I148 VanDerWaalsContact O-CG1 3.24Å; I145-I148 WeakPolarHBondContact O-CG1 3.26Å; I145-I148 PolarHBondContact O-N 3.43Å; I145-I148 VanDerWaalsContact O-N 3.08Å
149G97.2Very high97.3Very high7 Ų738.7 Ų38.77%0.07220%0.198CC..  trans59.8-167.4-172.200000112.6I125 I145I125-G149 PolarHBondContact N-O 3.47Å; I145-G149 PolarHBondContact O-N 2.68Å
150G98.6Very high97.2Very high0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans171.8-164.5179.200000113I125 M170 H171I125-G150 CarbonylContact O-C 3.22Å; I125-G150 VanDerWaalsContact O-C 3.32Å; I125-G150 WeakPolarHBondContact O-CA 3.49Å; G150-M170 CarbonylContact O-C 2.78Å; G150-H171 PolarHBondContact O-N 3.15Å; G150-H171 PolarHBondContact O-ND1 3.39Å
151I98.9Very high97.1Very high1 Ų147.1 Ų47.11%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-127.9128.9-179.1-49.4175.1000108.5I125 I127 H153 M170 L199 L251 F252I125-I151 PolarHBondContact O-N 2.9Å; I127-I151 WeakPolarHBondContact CB-O 3.26Å; I127-I151 PolarHBondContact N-O 3.32Å; I151-H153 PolarHBondContact O-N 3.16Å; I151-M170 VanDerWaalsContact C-CE 3.47Å; I151-M170 WeakPolarHBondContact O-CE 2.92Å; I151-L199 HydrophobicContact CB-CD1 4.43Å; I151-L199 HydrophobicContact CD1-CD1 3.63Å; I151-L199 HydrophobicContact CG1-CD1 3.67Å; I151-L199 HydrophobicContact CG2-CD1 3.96Å; I151-L251 HydrophobicContact CD1-CD2 3.77Å; I151-L251 HydrophobicContact CG1-CD2 3.34Å; I151-F252 HydrophobicContact CD1-CE1 3.64Å; I151-F252 HydrophobicContact CD1-CE2 4.47Å; I151-F252 HydrophobicContact CD1-CZ 3.39Å
152M98.8Very high97.1Very high1 Ų141.4 Ų41.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-81.699.1156.6-61.5-54.7-57.100106.8I127 T129 T136 L140 F155 F165 M170 H171 S173I127-M152 HydrophobicContact CB-CE 4.24Å; I127-M152 HydrophobicContact CB-SD 3.92Å; I127-M152 HydrophobicContact CG1-SD 4.3Å; I127-M152 HydrophobicContact CG2-CE 3.8Å; I127-M152 HydrophobicContact CG2-SD 3.98Å; T129-M152 HydrophobicContact CG2-CE 3.59Å; T136-M152 HydrophobicContact CG2-CE 4.13Å; L140-M152 HydrophobicContact CD1-SD 3.95Å; M152-F155 HydrophobicContact CB-CD2 4.16Å; M152-F165 HydrophobicContact CE-CD1 4.02Å; M152-F165 HydrophobicContact CE-CD2 4.4Å; M152-F165 HydrophobicContact CE-CE1 3.74Å; M152-F165 HydrophobicContact CE-CE2 4.17Å; M152-F165 HydrophobicContact CE-CG 4.35Å; M152-F165 HydrophobicContact CE-CZ 3.83Å; M152-F165 HydrophobicContact CG-CB 3.82Å; M152-F165 HydrophobicContact CG-CD1 4.01Å; M152-F165 HydrophobicContact CG-CD2 4.19Å; M152-F165 HydrophobicContact CG-CG 3.75Å; M152-F165 HydrophobicContact SD-CB 4.46Å; M152-F165 HydrophobicContact SD-CD1 3.56Å; M152-F165 VanDerWaalsContact SD-CD1 3.56Å; M152-F165 HydrophobicContact SD-CE1 3.84Å; M152-F165 HydrophobicContact SD-CG 3.95Å; M152-F165 HydrophobicContact SD-CZ 4.47Å; M152-M170 HydrophobicContact CG-CB 4.23Å; M152-M170 HydrophobicContact CG-CE 4.19Å; M152-M170 HydrophobicContact CG-CG 4.43Å; M152-M170 HydrophobicContact SD-CE 3.68Å; M152-M170 HydrophobicContact SD-CG 4.43Å; M152-H171 PolarHBondContact N-O 3.46Å; M152-S173 PolarHBondContact O-N 3.27Å
153H98.7Very high97.1Very high10 Ų1042.5 Ų42.55%0.04621%0.214CC..THydrogen-bonded Turntrans-72150.6-178.7117.595.4000109.7H6 E92 I127 H128 I151 F155 E201 D203H6-H153 AromaticContact CD2-ND1 3.58Å; H6-H153 AromaticContact CE1-CE1 3.69Å; H6-H153 AromaticContact CE1-CG 3.49Å; H6-H153 VanDerWaalsContact CE1-CG 3.49Å; H6-H153 AromaticContact CE1-ND1 3.24Å; H6-H153 PolarHBondContact CE1-ND1 3.41Å; H6-H153 AromaticContact CG-ND1 3.6Å; H6-H153 AromaticContact ND1-CG 3.58Å; H6-H153 AromaticContact ND1-ND1 3.43Å; H6-H153 PolarHBondContact ND1-ND1 2.66Å; H6-H153 AromaticContact NE2-CE1 3.55Å; H6-H153 AromaticContact NE2-ND1 3.37Å; H6-H153 PolarHBondContact NE2-ND1 2.78Å; E92-H153 IonicContact OE1-CD2 3.57Å; E92-H153 PolarHBondContact OE1-CD2 3.48Å; E92-H153 IonicContact OE1-CE1 2.87Å; E92-H153 IonicContact OE1-NE2 3.2Å; E92-H153 PolarHBondContact OE1-NE2 3.19Å; I127-H153 PolarHBondContact O-CD2 3.46Å; I127-H153 PolarHBondContact O-N 2.94Å; H128-H153 AromaticContact ND1-NE2 3.56Å; I151-H153 PolarHBondContact O-N 3.16Å; H153-F155 PolarHBondContact O-N 3.25Å; H153-E201 IonicContact CE1-OE1 3.92Å; H153-E201 IonicContact CG-OE1 3.44Å; H153-E201 IonicContact ND1-OE1 2.7Å; H153-E201 PolarHBondContact ND1-OE1 2.72Å; H153-D203 IonicContact CE1-OD1 3.53Å; H153-D203 IonicContact CE1-OD2 3.63Å
154S98.1Very high97.1Very high17 Ų1743.7 Ų43.712%0.11922%0.217CC..THydrogen-bonded Turntrans42.546.9176.3-159.70000113.2S156 S175 E201 L207S154-S156 PolarHBondContact O-N 2.89Å; S154-S175 VanDerWaalsContact OG-CB 3.27Å; S154-S175 WeakPolarHBondContact OG-CB 3.04Å; S154-S175 PolarHBondContact OG-OG 3.14Å; S154-E201 WeakPolarHBondContact CA-OE1 3.39Å; S154-E201 WeakPolarHBondContact CB-OE1 2.83Å; S154-E201 PolarHBondContact N-OE1 3.41Å; S154-L207 WeakPolarHBondContact OG-CD1 3.26Å
155F98.4Very high97.1Very high3 Ų341 Ų411%0.01320%0.202CC..  trans-59.7125-168.1-179.6-100000111.8L133 M152 H153 G157 W161 A162 F165 V172 S173 F174 A189L133-F155 HydrophobicContact CD2-CE2 4.5Å; M152-F155 HydrophobicContact CB-CD2 4.16Å; H153-F155 PolarHBondContact O-N 3.25Å; F155-G157 VanDerWaalsContact CE1-C 3.41Å; F155-G157 WeakPolarHBondContact CE1-O 3.47Å; F155-G157 VanDerWaalsContact CZ-CA 3.44Å; F155-W161 HydrophobicContact CE2-CB 4.31Å; F155-W161 HydrophobicContact CZ-CB 3.81Å; F155-A162 HydrophobicContact CE1-CB 3.75Å; F155-A162 HydrophobicContact CZ-CB 3.82Å; F155-F165 AromaticContact CE2-CD2 3.95Å; F155-F165 HydrophobicContact CE2-CD2 3.95Å; F155-F165 HydrophobicContact CE2-CE2 4.11Å; F155-V172 HydrophobicContact CB-CG1 3.47Å; F155-V172 VanDerWaalsContact CB-CG1 3.47Å; F155-V172 HydrophobicContact CD1-CG1 3.7Å; F155-V172 HydrophobicContact CD2-CG1 4.24Å; F155-V172 HydrophobicContact CG-CG1 3.53Å; F155-S173 WeakPolarHBondContact CB-O 3.45Å; F155-S173 PolarHBondContact N-O 2.9Å; F155-F174 HydrophobicContact CD1-CE1 4.01Å; F155-F174 HydrophobicContact CD1-CZ 4.38Å; F155-A189 HydrophobicContact CD1-CB 4.19Å; F155-A189 HydrophobicContact CE1-CB 3.81Å
156S94.8Very high97.2Very high71 Ų7142.4 Ų42.450%0.49721%0.21SC..  trans-119.98.5-174.457.20000114S154S154-S156 PolarHBondContact O-N 2.89Å
157G93.8Very high97.3Very high5 Ų540.3 Ų40.35%0.05221%0.21CC..SBendtrans-87-179.5177.500000114.2F155F155-G157 VanDerWaalsContact CE1-C 3.41Å; F155-G157 WeakPolarHBondContact CE1-O 3.47Å; F155-G157 VanDerWaalsContact CZ-CA 3.44Å
158S94.4Very high97.4Very high32 Ų3234.4 Ų34.422%0.22418%0.178CC..  trans-78.9170174.768.40000112.9E160 W161 A162S158-E160 PolarHBondContact O-N 3.23Å; S158-W161 PolarHBondContact O-N 3.29Å; S158-W161 VanDerWaalsContact O-N 3.11Å; S158-W161 PolarHBondContact OG-N 2.81Å; S158-A162 PolarHBondContact O-N 3.45Å
159G93.9Very high97.4Very high11 Ų1134.8 Ų34.811%0.11319%0.185CC..Hα-helixtrans-57.3-32.5173.200000113.8A162 K163G159-A162 PolarHBondContact O-N 2.8Å; G159-K163 PolarHBondContact O-N 2.78Å
160E96Very high97.4Very high136 Ų13634.4 Ų34.464%0.63618%0.182SC*.Hα-helixtrans-64.8-46.8174-171.9-170.7139.100111.5S158 A162 K163 R164S158-E160 PolarHBondContact O-N 3.23Å; E160-A162 PolarHBondContact O-N 3.02Å; E160-K163 WeakPolarHBondContact O-CB 3.17Å; E160-K163 PolarHBondContact O-N 2.99Å; E160-R164 WeakPolarHBondContact O-CG 3.21Å; E160-R164 PolarHBondContact O-N 3.23Å; E160-R164 VanDerWaalsContact O-N 3.08Å
161W97.5Very high97.5Very high48 Ų4835 Ų3518%0.18218%0.184CC..Hα-helixtrans-61.9-44176.1-86.3115.4000111.7L133 E134 Y137 F155 S158 K163 R164 F165L133-W161 HydrophobicContact CB-CZ2 4.47Å; L133-W161 HydrophobicContact CD1-CG 4.39Å; E134-W161 HydrophobicContact CB-CH2 3.97Å; E134-W161 HydrophobicContact CB-CZ2 4.36Å; E134-W161 HydrophobicContact CG-CH2 4.34Å; Y137-W161 HydrophobicContact CD1-CZ3 4.4Å; Y137-W161 HydrophobicContact CD2-CZ3 4.5Å; Y137-W161 AromaticContact CG-CZ3 3.96Å; Y137-W161 HydrophobicContact CG-CZ3 3.96Å; F155-W161 HydrophobicContact CE2-CB 4.31Å; F155-W161 HydrophobicContact CZ-CB 3.81Å; S158-W161 PolarHBondContact O-N 3.29Å; S158-W161 VanDerWaalsContact O-N 3.11Å; S158-W161 PolarHBondContact OG-N 2.81Å; W161-K163 VanDerWaalsContact C-N 3.3Å; W161-K163 PolarHBondContact O-N 2.86Å; W161-R164 HydrophobicContact CE3-CB 4.47Å; W161-R164 WeakPolarHBondContact O-CB 3.29Å; W161-R164 PolarHBondContact O-N 3.13Å; W161-R164 VanDerWaalsContact O-N 3.08Å; W161-F165 HydrophobicContact CB-CE2 4.5Å; W161-F165 AromaticContact CE3-CE2 3.86Å; W161-F165 HydrophobicContact CE3-CE2 3.86Å; W161-F165 HydrophobicContact CE3-CZ 4.29Å; W161-F165 WeakPolarHBondContact O-CD2 3.3Å; W161-F165 PolarHBondContact O-N 3.15Å; W161-F165 VanDerWaalsContact O-N 3.1Å
162A98.3Very high97.5Very high1 Ų134.9 Ų34.91%0.00818%0.184CC..Hα-helixtrans-54.8-48.3175.700000110.6F155 S158 G159 E160 R164 F165 L166 V172 A189 V193F155-A162 HydrophobicContact CE1-CB 3.75Å; F155-A162 HydrophobicContact CZ-CB 3.82Å; S158-A162 PolarHBondContact O-N 3.45Å; G159-A162 PolarHBondContact O-N 2.8Å; E160-A162 PolarHBondContact O-N 3.02Å; A162-R164 VanDerWaalsContact C-N 3.31Å; A162-R164 PolarHBondContact O-N 2.93Å; A162-F165 PolarHBondContact O-N 2.89Å; A162-L166 WeakPolarHBondContact O-CB 3.17Å; A162-L166 WeakPolarHBondContact O-CG 3.37Å; A162-L166 PolarHBondContact O-N 3.12Å; A162-V172 HydrophobicContact CB-CG2 4.35Å; A162-A189 HydrophobicContact CB-CB 4.24Å; A162-V193 HydrophobicContact CB-CG2 3.96Å
163K98Very high97.5Very high132 Ų13234.9 Ų34.957%0.57418%0.184SC*.Hα-helixtrans-56.1-44175.9-173.8-178.2176.4-172.90112.5G159 E160 W161 F165 L166 D167G159-K163 PolarHBondContact O-N 2.78Å; E160-K163 WeakPolarHBondContact O-CB 3.17Å; E160-K163 PolarHBondContact O-N 2.99Å; W161-K163 VanDerWaalsContact C-N 3.3Å; W161-K163 PolarHBondContact O-N 2.86Å; K163-F165 VanDerWaalsContact C-N 3.35Å; K163-F165 PolarHBondContact O-N 2.97Å; K163-L166 WeakPolarHBondContact O-CB 3.45Å; K163-L166 PolarHBondContact O-N 2.97Å; K163-D167 VanDerWaalsContact O-CG 3.28Å; K163-D167 PolarHBondContact O-N 2.77Å
164R98.3Very high97.5Very high74 Ų7434.4 Ų34.428%0.27918%0.181SC..Hα-helixtrans-60.8-42.2179.3-67176.280.6178.85.5112Y137 E160 W161 A162Y137-R164 HydrophobicContact CD2-CB 4.05Å; Y137-R164 HydrophobicContact CE2-CB 3.67Å; Y137-R164 WeakPolarHBondContact CE2-O 3.49Å; E160-R164 WeakPolarHBondContact O-CG 3.21Å; E160-R164 PolarHBondContact O-N 3.23Å; E160-R164 VanDerWaalsContact O-N 3.08Å; W161-R164 HydrophobicContact CE3-CB 4.47Å; W161-R164 WeakPolarHBondContact O-CB 3.29Å; W161-R164 PolarHBondContact O-N 3.13Å; W161-R164 VanDerWaalsContact O-N 3.08Å; A162-R164 VanDerWaalsContact C-N 3.31Å; A162-R164 PolarHBondContact O-N 2.93Å
165F98.6Very high97.5Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-71.8-37.1176.2-68.8-70.4000112.6L133 T136 Y137 L140 M152 F155 W161 A162 K163 D167 L168 M170L133-F165 HydrophobicContact CD2-CE2 3.83Å; L133-F165 HydrophobicContact CD2-CZ 4.02Å; T136-F165 HydrophobicContact CG2-CE1 4.3Å; Y137-F165 HydrophobicContact CD2-CD1 4.24Å; Y137-F165 HydrophobicContact CD2-CE1 4.15Å; L140-F165 HydrophobicContact CD1-CD1 4.02Å; L140-F165 HydrophobicContact CD1-CE1 3.98Å; M152-F165 HydrophobicContact CE-CD1 4.02Å; M152-F165 HydrophobicContact CE-CD2 4.4Å; M152-F165 HydrophobicContact CE-CE1 3.74Å; M152-F165 HydrophobicContact CE-CE2 4.17Å; M152-F165 HydrophobicContact CE-CG 4.35Å; M152-F165 HydrophobicContact CE-CZ 3.83Å; M152-F165 HydrophobicContact CG-CB 3.82Å; M152-F165 HydrophobicContact CG-CD1 4.01Å; M152-F165 HydrophobicContact CG-CD2 4.19Å; M152-F165 HydrophobicContact CG-CG 3.75Å; M152-F165 HydrophobicContact SD-CB 4.46Å; M152-F165 HydrophobicContact SD-CD1 3.56Å; M152-F165 VanDerWaalsContact SD-CD1 3.56Å; M152-F165 HydrophobicContact SD-CE1 3.84Å; M152-F165 HydrophobicContact SD-CG 3.95Å; M152-F165 HydrophobicContact SD-CZ 4.47Å; F155-F165 AromaticContact CE2-CD2 3.95Å; F155-F165 HydrophobicContact CE2-CD2 3.95Å; F155-F165 HydrophobicContact CE2-CE2 4.11Å; W161-F165 HydrophobicContact CB-CE2 4.5Å; W161-F165 AromaticContact CE3-CE2 3.86Å; W161-F165 HydrophobicContact CE3-CE2 3.86Å; W161-F165 HydrophobicContact CE3-CZ 4.29Å; W161-F165 WeakPolarHBondContact O-CD2 3.3Å; W161-F165 PolarHBondContact O-N 3.15Å; W161-F165 VanDerWaalsContact O-N 3.1Å; A162-F165 PolarHBondContact O-N 2.89Å; K163-F165 VanDerWaalsContact C-N 3.35Å; K163-F165 PolarHBondContact O-N 2.97Å; F165-D167 VanDerWaalsContact C-N 3.29Å; F165-D167 PolarHBondContact O-N 2.99Å; F165-L168 WeakPolarHBondContact O-CB 3.44Å; F165-L168 PolarHBondContact O-N 2.7Å; F165-M170 HydrophobicContact CB-CB 4.22Å; F165-M170 HydrophobicContact CB-CG 4.32Å; F165-M170 WeakPolarHBondContact O-CB 3.2Å; F165-M170 WeakPolarHBondContact O-CG 3.5Å; F165-M170 PolarHBondContact O-N 2.95Å
166L98.6Very high97.5Very high32 Ų3233.5 Ų33.517%0.16818%0.176CC..Hα-helixtrans-58.9-41173.8-71169.5000111.6A162 K163 L168 G169 M170 V172 V193 P194 K197A162-L166 WeakPolarHBondContact O-CB 3.17Å; A162-L166 WeakPolarHBondContact O-CG 3.37Å; A162-L166 PolarHBondContact O-N 3.12Å; K163-L166 WeakPolarHBondContact O-CB 3.45Å; K163-L166 PolarHBondContact O-N 2.97Å; L166-L168 PolarHBondContact O-N 2.63Å; L166-G169 PolarHBondContact O-N 3.49Å; L166-M170 WeakPolarHBondContact CD2-O 3.16Å; L166-V172 HydrophobicContact CD2-CG2 4.01Å; L166-V172 HydrophobicContact CG-CG2 4.12Å; L166-V193 HydrophobicContact CD1-CG2 4.27Å; L166-V193 HydrophobicContact CD2-CG1 4.48Å; L166-P194 VanDerWaalsContact CD1-CD 3.41Å; L166-P194 HydrophobicContact CD1-CG 4.26Å; L166-K197 HydrophobicContact CD2-CB 3.49Å; L166-K197 VanDerWaalsContact CD2-CB 3.49Å; L166-K197 HydrophobicContact CD2-CG 3.91Å
167D98.2Very high97.6Very high111 Ų11131.4 Ų31.459%0.59416%0.16SC*.THydrogen-bonded Turntrans-63.8-18.7176.3-69.6-20.9000112.9K163 F165K163-D167 VanDerWaalsContact O-CG 3.28Å; K163-D167 PolarHBondContact O-N 2.77Å; F165-D167 VanDerWaalsContact C-N 3.29Å; F165-D167 PolarHBondContact O-N 2.99Å
168L98.4Very high97.9Very high18 Ų1831.2 Ų31.29%0.09416%0.157CC..THydrogen-bonded Turntrans-87.5-3.5172.4-58.2-176.6000113.2Y137 L140 K141 I145 R146 F165 L166Y137-L168 HydrophobicContact CD2-CD1 3.71Å; Y137-L168 HydrophobicContact CD2-CG 4.47Å; Y137-L168 HydrophobicContact CE2-CD1 3.63Å; Y137-L168 HydrophobicContact CE2-CD2 4.31Å; Y137-L168 HydrophobicContact CE2-CG 3.96Å; L140-L168 HydrophobicContact CB-CD1 3.82Å; K141-L168 HydrophobicContact CB-CD1 4.12Å; K141-L168 HydrophobicContact CB-CD2 4.01Å; K141-L168 HydrophobicContact CG-CD2 4.09Å; I145-L168 HydrophobicContact CD1-CB 4.25Å; I145-L168 WeakPolarHBondContact CD1-O 3.17Å; R146-L168 WeakPolarHBondContact CG-O 3.41Å; F165-L168 WeakPolarHBondContact O-CB 3.44Å; F165-L168 PolarHBondContact O-N 2.7Å; L166-L168 PolarHBondContact O-N 2.63Å
169G97.5Very high98.1Very high20 Ų2030.3 Ų30.321%0.20615%0.151CC..THydrogen-bonded Turntrans95.38-178.400000114.8L166L166-G169 PolarHBondContact O-N 3.49Å
170M98.7Very high98.2Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-75.1158.7178.1-57.8-61.5-77.800112.1I125 I127 L140 I145 G150 I151 M152 F165 L166I125-M170 HydrophobicContact CG1-CE 4.31Å; I127-M170 HydrophobicContact CB-CE 4.34Å; I127-M170 HydrophobicContact CG1-CE 3.54Å; L140-M170 HydrophobicContact CD1-CE 4.39Å; I145-M170 HydrophobicContact CD1-CG 4.07Å; I145-M170 HydrophobicContact CD1-SD 3.4Å; I145-M170 WeakPolarHBondContact CD1-SD 3.34Å; I145-M170 HydrophobicContact CG1-SD 4.32Å; G150-M170 CarbonylContact O-C 2.78Å; I151-M170 VanDerWaalsContact C-CE 3.47Å; I151-M170 WeakPolarHBondContact O-CE 2.92Å; M152-M170 HydrophobicContact CG-CB 4.23Å; M152-M170 HydrophobicContact CG-CE 4.19Å; M152-M170 HydrophobicContact CG-CG 4.43Å; M152-M170 HydrophobicContact SD-CE 3.68Å; M152-M170 HydrophobicContact SD-CG 4.43Å; F165-M170 HydrophobicContact CB-CB 4.22Å; F165-M170 HydrophobicContact CB-CG 4.32Å; F165-M170 WeakPolarHBondContact O-CB 3.2Å; F165-M170 WeakPolarHBondContact O-CG 3.5Å; F165-M170 PolarHBondContact O-N 2.95Å; L166-M170 WeakPolarHBondContact CD2-O 3.16Å
171H98.8Very high98.1Very high11 Ų1132.7 Ų32.75%0.05116%0.156CC..EExtended strand (participates in β ladder)trans-97.1158.8159.1-61.168.2000108.3G150 M152 K197 L199 L251G150-H171 PolarHBondContact O-N 3.15Å; G150-H171 PolarHBondContact O-ND1 3.39Å; M152-H171 PolarHBondContact N-O 3.46Å; H171-K197 WeakPolarHBondContact CA-O 3.38Å; H171-K197 WeakPolarHBondContact CB-O 3.31Å; H171-L199 HydrophobicContact CB-CD1 3.71Å; H171-L199 HydrophobicContact CB-CG 4.19Å; H171-L251 HydrophobicContact CB-CD2 4.37Å
172V98.9Very high98Very high0 Ų039.8 Ų39.80%019%0.188CC..EExtended strand (participates in β ladder)trans-117.5121.2177-176.20000108.1F155 A162 L166 F174 V193 K197 L199F155-V172 HydrophobicContact CB-CG1 3.47Å; F155-V172 VanDerWaalsContact CB-CG1 3.47Å; F155-V172 HydrophobicContact CD1-CG1 3.7Å; F155-V172 HydrophobicContact CD2-CG1 4.24Å; F155-V172 HydrophobicContact CG-CG1 3.53Å; A162-V172 HydrophobicContact CB-CG2 4.35Å; L166-V172 HydrophobicContact CD2-CG2 4.01Å; L166-V172 HydrophobicContact CG-CG2 4.12Å; V172-F174 HydrophobicContact CB-CE2 4.3Å; V172-F174 HydrophobicContact CB-CZ 4.49Å; V172-F174 HydrophobicContact CG1-CD2 4.47Å; V172-F174 HydrophobicContact CG1-CE1 4.19Å; V172-F174 HydrophobicContact CG1-CE2 3.71Å; V172-F174 HydrophobicContact CG1-CZ 3.55Å; V172-V193 HydrophobicContact CB-CG1 4.19Å; V172-V193 HydrophobicContact CB-CG2 3.98Å; V172-V193 HydrophobicContact CG1-CG2 4.21Å; V172-V193 HydrophobicContact CG2-CG2 4.06Å; V172-K197 PolarHBondContact N-O 3.47Å; V172-L199 PolarHBondContact O-N 2.72Å
173S98.9Very high97.9Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-106139.9177.7-169.30000110.9S5 M152 F155 L199 E201S5-S173 PolarHBondContact OG-OG 3.35Å; M152-S173 PolarHBondContact O-N 3.27Å; F155-S173 WeakPolarHBondContact CB-O 3.45Å; F155-S173 PolarHBondContact N-O 2.9Å; S173-L199 WeakPolarHBondContact CA-O 3.37Å; S173-E201 WeakPolarHBondContact CB-OE2 3.35Å; S173-E201 VanDerWaalsContact OG-CG 3.32Å; S173-E201 WeakPolarHBondContact OG-CG 3.28Å; S173-E201 PolarHBondContact OG-OE2 2.85Å
174F98.9Very high97.8Very high0 Ų039.5 Ų39.50%019%0.194CC..EExtended strand (participates in β ladder)trans-114.5126.8-178.7-66-81.5000110.4F155 V172 V178 V186 A189 A190 V193 L198 L199 E201 I225 I229F155-F174 HydrophobicContact CD1-CE1 4.01Å; F155-F174 HydrophobicContact CD1-CZ 4.38Å; V172-F174 HydrophobicContact CB-CE2 4.3Å; V172-F174 HydrophobicContact CB-CZ 4.49Å; V172-F174 HydrophobicContact CG1-CD2 4.47Å; V172-F174 HydrophobicContact CG1-CE1 4.19Å; V172-F174 HydrophobicContact CG1-CE2 3.71Å; V172-F174 HydrophobicContact CG1-CZ 3.55Å; F174-V178 HydrophobicContact CB-CB 4.33Å; F174-V186 HydrophobicContact CD1-CG1 3.65Å; F174-V186 HydrophobicContact CE1-CG1 3.96Å; F174-V186 WeakPolarHBondContact CE1-O 3.42Å; F174-A189 HydrophobicContact CE1-CB 3.98Å; F174-A189 HydrophobicContact CZ-CB 3.97Å; F174-A190 HydrophobicContact CD1-CB 3.99Å; F174-A190 HydrophobicContact CD2-CB 4.11Å; F174-A190 HydrophobicContact CE1-CB 3.79Å; F174-A190 HydrophobicContact CE2-CB 3.93Å; F174-A190 HydrophobicContact CG-CB 4.14Å; F174-A190 HydrophobicContact CZ-CB 3.76Å; F174-A190 VanDerWaalsContact CZ-N 3.31Å; F174-V193 HydrophobicContact CE2-CB 4.47Å; F174-V193 HydrophobicContact CE2-CG2 4.22Å; F174-V193 HydrophobicContact CZ-CG2 4.07Å; F174-L198 HydrophobicContact CD2-CD1 3.5Å; F174-L198 HydrophobicContact CE2-CD1 3.45Å; F174-L198 VanDerWaalsContact CE2-CD1 3.45Å; F174-L199 PolarHBondContact N-O 2.77Å; F174-E201 PolarHBondContact O-N 3.08Å; F174-E201 VanDerWaalsContact O-N 3.13Å; F174-I225 WeakPolarHBondContact O-CG2 3.41Å; F174-I229 HydrophobicContact CB-CD1 4.17Å; F174-I229 HydrophobicContact CD2-CD1 4.34Å
175S98.5Very high97.7Very high2 Ų240.6 Ų40.61%0.01421%0.206CC..  trans-88-175.1173.768.40000112.1S154 V177 V178 E201S154-S175 VanDerWaalsContact OG-CB 3.27Å; S154-S175 WeakPolarHBondContact OG-CB 3.04Å; S154-S175 PolarHBondContact OG-OG 3.14Å; S175-V177 PolarHBondContact O-N 3.3Å; S175-V177 WeakPolarHBondContact OG-CG2 3.4Å; S175-V178 WeakPolarHBondContact O-CG1 2.94Å; S175-V178 PolarHBondContact O-N 3.34Å; S175-V178 VanDerWaalsContact O-N 3.07Å; S175-E201 VanDerWaalsContact CA-O 3.3Å; S175-E201 WeakPolarHBondContact CA-O 3.41Å
176G98.4Very high97.6Very high0 Ų041 Ų410%021%0.208CC..G310 helixtrans-55.9-16.4176.100000114.5V178 T179 F180 L207G176-V178 PolarHBondContact O-N 3.44Å; G176-T179 WeakPolarHBondContact O-CB 3.29Å; G176-T179 PolarHBondContact O-N 2.91Å; G176-T179 PolarHBondContact O-OG1 3.26Å; G176-F180 WeakPolarHBondContact O-CE1 3.24Å; G176-L207 WeakPolarHBondContact CA-O 3.4Å
177V98Very high97.6Very high27 Ų2740.8 Ų40.816%0.16421%0.206CC..G310 helixtrans-53-35.6172.2176.70000112.5S175 T179 F180 A183 V186 L207S175-V177 PolarHBondContact O-N 3.3Å; S175-V177 WeakPolarHBondContact OG-CG2 3.4Å; V177-T179 PolarHBondContact O-N 2.87Å; V177-T179 VanDerWaalsContact O-N 3.08Å; V177-F180 HydrophobicContact CB-CD2 4.4Å; V177-F180 HydrophobicContact CB-CE2 4.43Å; V177-F180 HydrophobicContact CG1-CD2 4.32Å; V177-F180 HydrophobicContact CG2-CD2 4.43Å; V177-F180 HydrophobicContact CG2-CE2 4.04Å; V177-F180 VanDerWaalsContact O-CB 3.29Å; V177-F180 WeakPolarHBondContact O-CB 3.36Å; V177-F180 WeakPolarHBondContact O-CG 3.29Å; V177-F180 PolarHBondContact O-N 3.49Å; V177-A183 HydrophobicContact CG1-CB 3.92Å; V177-A183 VanDerWaalsContact O-CB 3.29Å; V177-A183 WeakPolarHBondContact O-CB 3.3Å; V177-V186 HydrophobicContact CG1-CG1 4.46Å; V177-V186 HydrophobicContact CG1-CG2 4.14Å; V177-L207 HydrophobicContact CG2-CB 4.5Å; V177-L207 HydrophobicContact CG2-CD1 4.12Å; V177-L207 HydrophobicContact CG2-CD2 4.13Å; V177-L207 HydrophobicContact CG2-CG 4.49Å
178V98.4Very high97.5Very high0 Ų040.8 Ų40.80%020%0.203CC..G310 helixtrans-59.2-26.3179.275.40000112.6F174 S175 G176 F180 V186 Q187 A190 I225 K228 I229 L232F174-V178 HydrophobicContact CB-CB 4.33Å; S175-V178 WeakPolarHBondContact O-CG1 2.94Å; S175-V178 PolarHBondContact O-N 3.34Å; S175-V178 VanDerWaalsContact O-N 3.07Å; G176-V178 PolarHBondContact O-N 3.44Å; V178-F180 VanDerWaalsContact C-N 3.31Å; V178-F180 PolarHBondContact O-N 2.94Å; V178-V186 HydrophobicContact CB-CG1 4.19Å; V178-V186 HydrophobicContact CG2-CG1 4.35Å; V178-Q187 HydrophobicContact CG2-CG 4.21Å; V178-Q187 VanDerWaalsContact O-CG 3.28Å; V178-Q187 WeakPolarHBondContact O-CG 3.45Å; V178-Q187 PolarHBondContact O-NE2 2.9Å; V178-A190 HydrophobicContact CG2-CB 3.77Å; V178-I225 HydrophobicContact CG1-CG2 3.97Å; V178-K228 HydrophobicContact CG1-CB 4.41Å; V178-K228 HydrophobicContact CG1-CG 4.32Å; V178-I229 HydrophobicContact CG1-CG1 4.48Å; V178-I229 HydrophobicContact CG2-CG1 4.45Å; V178-L232 HydrophobicContact CG2-CD1 3.94Å
179T98.5Very high97.5Very high14 Ų1440 Ų409%0.08620%0.198CC..G310 helixtrans-81.2-9.3178.874.80000113.4G176 V177 P209 M210 K228G176-T179 WeakPolarHBondContact O-CB 3.29Å; G176-T179 PolarHBondContact O-N 2.91Å; G176-T179 PolarHBondContact O-OG1 3.26Å; V177-T179 PolarHBondContact O-N 2.87Å; V177-T179 VanDerWaalsContact O-N 3.08Å; T179-P209 HydrophobicContact CG2-CB 3.65Å; T179-P209 VanDerWaalsContact OG1-CA 3.29Å; T179-P209 WeakPolarHBondContact OG1-CA 3.21Å; T179-P209 WeakPolarHBondContact OG1-CB 3.2Å; T179-M210 VanDerWaalsContact O-CG 3.25Å; T179-M210 WeakPolarHBondContact O-CG 3.23Å; T179-M210 PolarHBondContact OG1-N 3.4Å; T179-K228 HydrophobicContact CG2-CB 3.82Å; T179-K228 HydrophobicContact CG2-CG 4.15Å
180F97.8Very high97.5Very high22 Ų2239 Ų3910%0.09619%0.189CC..SBendtrans-77.4130.3-175.9-63.5-5.6000110.9G176 V177 V178 K182 A183 Q187 A208 M210 R213G176-F180 WeakPolarHBondContact O-CE1 3.24Å; V177-F180 HydrophobicContact CB-CD2 4.4Å; V177-F180 HydrophobicContact CB-CE2 4.43Å; V177-F180 HydrophobicContact CG1-CD2 4.32Å; V177-F180 HydrophobicContact CG2-CD2 4.43Å; V177-F180 HydrophobicContact CG2-CE2 4.04Å; V177-F180 VanDerWaalsContact O-CB 3.29Å; V177-F180 WeakPolarHBondContact O-CB 3.36Å; V177-F180 WeakPolarHBondContact O-CG 3.29Å; V177-F180 PolarHBondContact O-N 3.49Å; V178-F180 VanDerWaalsContact C-N 3.31Å; V178-F180 PolarHBondContact O-N 2.94Å; F180-K182 PolarHBondContact O-N 3.07Å; F180-A183 HydrophobicContact CB-CB 4.1Å; F180-A183 PolarHBondContact O-N 2.97Å; F180-Q187 PolarHBondContact O-NE2 2.87Å; F180-Q187 VanDerWaalsContact O-NE2 3.11Å; F180-A208 VanDerWaalsContact CE1-O 3.3Å; F180-A208 WeakPolarHBondContact CE1-O 3.48Å; F180-M210 HydrophobicContact CD1-CG 4.44Å; F180-R213 HydrophobicContact CD1-CG 4.29Å; F180-R213 VanDerWaalsContact CD2-CZ 3.47Å; F180-R213 HydrophobicContact CE1-CB 4.05Å; F180-R213 HydrophobicContact CE1-CG 3.65Å; F180-R213 HydrophobicContact CZ-CG 3.86Å
181K94.1Very high97.5Very high175 Ų17540.8 Ų40.876%0.76120%0.203SC*.THydrogen-bonded Turntrans-53.1-23.7-177.5-66-177.1177.3-1780115.7
182K94.5Very high97.3Very high196 Ų19644.5 Ų44.585%0.85223%0.226SC*.THydrogen-bonded Turntrans-104.7-3.6-177.4-65.3-172177.5-175.50113.8F180 L184F180-K182 PolarHBondContact O-N 3.07Å; K182-L184 PolarHBondContact O-N 3.38Å
183A95.3Very high97.3Very high16 Ų1644.6 Ų44.613%0.13223%0.227CC..  trans-85.153.6-178.500000110.7V177 F180 D185 V186 Q187V177-A183 HydrophobicContact CG1-CB 3.92Å; V177-A183 VanDerWaalsContact O-CB 3.29Å; V177-A183 WeakPolarHBondContact O-CB 3.3Å; F180-A183 HydrophobicContact CB-CB 4.1Å; F180-A183 PolarHBondContact O-N 2.97Å; A183-D185 PolarHBondContact O-N 2.91Å; A183-V186 HydrophobicContact CB-CB 4.11Å; A183-V186 HydrophobicContact CB-CG2 4.21Å; A183-V186 PolarHBondContact O-N 2.92Å; A183-Q187 VanDerWaalsContact O-CG 3.3Å; A183-Q187 WeakPolarHBondContact O-CG 3.5Å; A183-Q187 PolarHBondContact O-N 3.18Å
184L96.3Very high97.2Very high112 Ų11247.2 Ų47.259%0.58624%0.244SC*.Hα-helixtrans-63.6-40.7-172.8-64.3178.5000112K182 V186 Q187 E188K182-L184 PolarHBondContact O-N 3.38Å; L184-V186 VanDerWaalsContact C-N 3.31Å; L184-V186 PolarHBondContact O-N 3.16Å; L184-Q187 PolarHBondContact O-N 2.89Å; L184-E188 WeakPolarHBondContact O-CB 3.21Å; L184-E188 PolarHBondContact O-N 3.08Å
185D96.1Very high97.2Very high97 Ų9749 Ų4952%0.51925%0.253SS..Hα-helixtrans-62.9-39.3177.7-62.1-14.7000111.9A183 E188 A189A183-D185 PolarHBondContact O-N 2.91Å; D185-E188 PolarHBondContact O-N 3.11Å; D185-A189 WeakPolarHBondContact O-CB 3.43Å; D185-A189 PolarHBondContact O-N 3.32Å
186V97.6Very high97.2Very high9 Ų952.7 Ų52.76%0.05527%0.272CS..Hα-helixtrans-67.6-40.2176.1-1770000110.7F174 V177 V178 A183 L184 A189 A190F174-V186 HydrophobicContact CD1-CG1 3.65Å; F174-V186 HydrophobicContact CE1-CG1 3.96Å; F174-V186 WeakPolarHBondContact CE1-O 3.42Å; V177-V186 HydrophobicContact CG1-CG1 4.46Å; V177-V186 HydrophobicContact CG1-CG2 4.14Å; V178-V186 HydrophobicContact CB-CG1 4.19Å; V178-V186 HydrophobicContact CG2-CG1 4.35Å; A183-V186 HydrophobicContact CB-CB 4.11Å; A183-V186 HydrophobicContact CB-CG2 4.21Å; A183-V186 PolarHBondContact O-N 2.92Å; L184-V186 VanDerWaalsContact C-N 3.31Å; L184-V186 PolarHBondContact O-N 3.16Å; V186-A189 PolarHBondContact O-N 2.96Å; V186-A190 WeakPolarHBondContact O-CB 3.47Å; V186-A190 PolarHBondContact O-N 2.89Å
187Q98Very high97.2Very high27 Ų2755.5 Ų55.513%0.12629%0.285CS..Hα-helixtrans-66.8-39.7176.1-70.6173.84.700112V178 F180 A183 L184 A190 A191 L232V178-Q187 HydrophobicContact CG2-CG 4.21Å; V178-Q187 VanDerWaalsContact O-CG 3.28Å; V178-Q187 WeakPolarHBondContact O-CG 3.45Å; V178-Q187 PolarHBondContact O-NE2 2.9Å; F180-Q187 PolarHBondContact O-NE2 2.87Å; F180-Q187 VanDerWaalsContact O-NE2 3.11Å; A183-Q187 VanDerWaalsContact O-CG 3.3Å; A183-Q187 WeakPolarHBondContact O-CG 3.5Å; A183-Q187 PolarHBondContact O-N 3.18Å; L184-Q187 PolarHBondContact O-N 2.89Å; Q187-A190 PolarHBondContact O-N 2.88Å; Q187-A191 WeakPolarHBondContact O-CB 3.03Å; Q187-A191 PolarHBondContact O-N 3.46Å; Q187-L232 HydrophobicContact CB-CD1 3.94Å; Q187-L232 HydrophobicContact CB-CD2 4.12Å; Q187-L232 HydrophobicContact CG-CD1 3.94Å; Q187-L232 HydrophobicContact CG-CD2 4.34Å
188E96.8Very high97.2Very high111 Ų11154.2 Ų54.252%0.51928%0.277SS..Hα-helixtrans-61.2-48.9173.4-175-173.5165.600110.5L184 D185 A190 A191 V192L184-E188 WeakPolarHBondContact O-CB 3.21Å; L184-E188 PolarHBondContact O-N 3.08Å; D185-E188 PolarHBondContact O-N 3.11Å; E188-A190 VanDerWaalsContact C-N 3.35Å; E188-A190 PolarHBondContact O-N 2.73Å; E188-A191 WeakPolarHBondContact O-CB 3.36Å; E188-A191 PolarHBondContact O-N 3.08Å; E188-A191 VanDerWaalsContact O-N 3.14Å; E188-V192 WeakPolarHBondContact O-CG2 3.18Å; E188-V192 PolarHBondContact O-N 3.37Å
189A97.7Very high97.3Very high0 Ų054.3 Ų54.30%028%0.277CS..Hα-helixtrans-57-47.8175.400000111.4F155 A162 F174 D185 V186 A191 V192 V193F155-A189 HydrophobicContact CD1-CB 4.19Å; F155-A189 HydrophobicContact CE1-CB 3.81Å; A162-A189 HydrophobicContact CB-CB 4.24Å; F174-A189 HydrophobicContact CE1-CB 3.98Å; F174-A189 HydrophobicContact CZ-CB 3.97Å; D185-A189 WeakPolarHBondContact O-CB 3.43Å; D185-A189 PolarHBondContact O-N 3.32Å; V186-A189 PolarHBondContact O-N 2.96Å; A189-A191 PolarHBondContact O-N 3.05Å; A189-V192 PolarHBondContact O-N 3.35Å; A189-V192 VanDerWaalsContact O-N 3.13Å; A189-V193 VanDerWaalsContact O-CG2 3.25Å; A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 3.29Å
190A98.3Very high97.3Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-61.9-29.9178.600000113.2F174 V178 V186 Q187 E188 I229 L232F174-A190 HydrophobicContact CD1-CB 3.99Å; F174-A190 HydrophobicContact CD2-CB 4.11Å; F174-A190 HydrophobicContact CE1-CB 3.79Å; F174-A190 HydrophobicContact CE2-CB 3.93Å; F174-A190 HydrophobicContact CG-CB 4.14Å; F174-A190 HydrophobicContact CZ-CB 3.76Å; F174-A190 VanDerWaalsContact CZ-N 3.31Å; V178-A190 HydrophobicContact CG2-CB 3.77Å; V186-A190 WeakPolarHBondContact O-CB 3.47Å; V186-A190 PolarHBondContact O-N 2.89Å; Q187-A190 PolarHBondContact O-N 2.88Å; E188-A190 VanDerWaalsContact C-N 3.35Å; E188-A190 PolarHBondContact O-N 2.73Å; A190-I229 HydrophobicContact CB-CG1 4.38Å; A190-L232 HydrophobicContact CB-CD1 4.33Å
191A97.1Very high97.3Very high37 Ų3752.6 Ų52.631%0.30627%0.269SS..Hα-helixtrans-72.3-34.4176.300000112.6Q187 E188 A189 R233Q187-A191 WeakPolarHBondContact O-CB 3.03Å; Q187-A191 PolarHBondContact O-N 3.46Å; E188-A191 WeakPolarHBondContact O-CB 3.36Å; E188-A191 PolarHBondContact O-N 3.08Å; E188-A191 VanDerWaalsContact O-N 3.14Å; A189-A191 PolarHBondContact O-N 3.05Å; A191-R233 PolarHBondContact O-NE 3.45Å; A191-R233 VanDerWaalsContact O-NE 3.09Å; A191-R233 PolarHBondContact O-NH2 2.81Å
192V95.3Very high97.6Very high89 Ų8944.3 Ų44.354%0.53923%0.233SC..Hα-helixtrans-104-20.4-170-55.20000115.3E188 A189E188-V192 WeakPolarHBondContact O-CG2 3.18Å; E188-V192 PolarHBondContact O-N 3.37Å; A189-V192 PolarHBondContact O-N 3.35Å; A189-V192 VanDerWaalsContact O-N 3.13Å
193V98.4Very high97.7Very high2 Ų235.8 Ų35.81%0.01220%0.196CC..SBendtrans-55.2129.5176.71640000110.1A162 L166 V172 F174 A189 M195 K197 L198 R233A162-V193 HydrophobicContact CB-CG2 3.96Å; L166-V193 HydrophobicContact CD1-CG2 4.27Å; L166-V193 HydrophobicContact CD2-CG1 4.48Å; V172-V193 HydrophobicContact CB-CG1 4.19Å; V172-V193 HydrophobicContact CB-CG2 3.98Å; V172-V193 HydrophobicContact CG1-CG2 4.21Å; V172-V193 HydrophobicContact CG2-CG2 4.06Å; F174-V193 HydrophobicContact CE2-CB 4.47Å; F174-V193 HydrophobicContact CE2-CG2 4.22Å; F174-V193 HydrophobicContact CZ-CG2 4.07Å; A189-V193 VanDerWaalsContact O-CG2 3.25Å; A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 3.29Å; V193-M195 PolarHBondContact O-N 3.38Å; V193-K197 HydrophobicContact CG1-CB 4.34Å; V193-L198 HydrophobicContact CG1-CB 4.26Å; V193-L198 HydrophobicContact CG1-CD1 4.23Å; V193-R233 VanDerWaalsContact O-CZ 3.29Å; V193-R233 PolarHBondContact O-NH1 2.95Å; V193-R233 VanDerWaalsContact O-NH1 3.16Å; V193-R233 PolarHBondContact O-NH2 3.09Å
194P98.2Very high97.9Very high55 Ų5535 Ų3536%0.35719%0.19SC..  trans-51.9139.9178.9-27.935.9000112.4L166 D196 K197 L198L166-P194 VanDerWaalsContact CD1-CD 3.41Å; L166-P194 HydrophobicContact CD1-CG 4.26Å; P194-D196 VanDerWaalsContact CB-OD1 3.24Å; P194-D196 WeakPolarHBondContact CB-OD1 3.32Å; P194-D196 PolarHBondContact O-N 3.21Å; P194-K197 HydrophobicContact CB-CB 4.3Å; P194-K197 HydrophobicContact CB-CG 4.28Å; P194-K197 CarbonylContact O-C 3.59Å; P194-K197 WeakPolarHBondContact O-CA 3.5Å; P194-K197 PolarHBondContact O-N 3.05Å; P194-L198 PolarHBondContact O-N 2.85Å
195M98Very high98Very high37 Ų3730.1 Ų30.118%0.18217%0.165CC..G310 helixtrans-60.7-32.2-173-163.467.8-162.300112.8V193 K197 L198 R233 L235 V240 Q243 N247V193-M195 PolarHBondContact O-N 3.38Å; M195-K197 PolarHBondContact O-N 2.83Å; M195-L198 HydrophobicContact CE-CD2 4.08Å; M195-L198 HydrophobicContact SD-CD2 4.11Å; M195-R233 PolarHBondContact SD-NH1 3.02Å; M195-L235 HydrophobicContact SD-CD1 4.32Å; M195-V240 HydrophobicContact CE-CB 4.21Å; M195-V240 HydrophobicContact CE-CG1 4.22Å; M195-V240 HydrophobicContact CE-CG2 4.15Å; M195-Q243 HydrophobicContact CE-CB 3.39Å; M195-Q243 HydrophobicContact CE-CG 3.77Å; M195-Q243 HydrophobicContact CG-CB 3.98Å; M195-Q243 HydrophobicContact CG-CG 3.87Å; M195-N247 PolarHBondContact O-ND2 3.05Å
196D98.3Very high98Very high80 Ų8031.3 Ų31.343%0.42816%0.163SC..G310 helixtrans-79.8-0.1177.566.8-44.5000113.8P194 N247P194-D196 VanDerWaalsContact CB-OD1 3.24Å; P194-D196 WeakPolarHBondContact CB-OD1 3.32Å; P194-D196 PolarHBondContact O-N 3.21Å; D196-N247 WeakPolarHBondContact CA-OD1 3.38Å; D196-N247 PolarHBondContact O-OD1 2.85Å
197K98.7Very high97.9Very high60 Ų6033.7 Ų33.726%0.26118%0.176SC..G310 helixtrans-122.14.1177.7-62.6-64.2-179.1-178.70113.8L166 H171 V172 V193 P194 M195L166-K197 HydrophobicContact CD2-CB 3.49Å; L166-K197 VanDerWaalsContact CD2-CB 3.49Å; L166-K197 HydrophobicContact CD2-CG 3.91Å; H171-K197 WeakPolarHBondContact CA-O 3.38Å; H171-K197 WeakPolarHBondContact CB-O 3.31Å; V172-K197 PolarHBondContact N-O 3.47Å; V193-K197 HydrophobicContact CG1-CB 4.34Å; P194-K197 HydrophobicContact CB-CB 4.3Å; P194-K197 HydrophobicContact CB-CG 4.28Å; P194-K197 CarbonylContact O-C 3.59Å; P194-K197 WeakPolarHBondContact O-CA 3.5Å; P194-K197 PolarHBondContact O-N 3.05Å; M195-K197 PolarHBondContact O-N 2.83Å
198L98.8Very high97.9Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-89.1132.7-178.4-176.971.2000110.9F174 V193 P194 M195 I229 V240 T244 N247F174-L198 HydrophobicContact CD2-CD1 3.5Å; F174-L198 HydrophobicContact CE2-CD1 3.45Å; F174-L198 VanDerWaalsContact CE2-CD1 3.45Å; V193-L198 HydrophobicContact CG1-CB 4.26Å; V193-L198 HydrophobicContact CG1-CD1 4.23Å; P194-L198 PolarHBondContact O-N 2.85Å; M195-L198 HydrophobicContact CE-CD2 4.08Å; M195-L198 HydrophobicContact SD-CD2 4.11Å; L198-I229 HydrophobicContact CD1-CD1 4.43Å; L198-I229 HydrophobicContact CD2-CG2 3.84Å; L198-V240 HydrophobicContact CD2-CG1 4.37Å; L198-T244 HydrophobicContact CB-CG2 4.47Å; L198-T244 HydrophobicContact CD2-CG2 3.95Å; L198-T244 HydrophobicContact CG-CG2 3.97Å; L198-N247 PolarHBondContact O-ND2 3.13Å
199L98.9Very high98Very high1 Ų127.3 Ų27.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-129.1164.5170.6-66.7174000110.6I151 H171 V172 S173 F174 T244 N247 A248 L251I151-L199 HydrophobicContact CB-CD1 4.43Å; I151-L199 HydrophobicContact CD1-CD1 3.63Å; I151-L199 HydrophobicContact CG1-CD1 3.67Å; I151-L199 HydrophobicContact CG2-CD1 3.96Å; H171-L199 HydrophobicContact CB-CD1 3.71Å; H171-L199 HydrophobicContact CB-CG 4.19Å; V172-L199 PolarHBondContact O-N 2.72Å; S173-L199 WeakPolarHBondContact CA-O 3.37Å; F174-L199 PolarHBondContact N-O 2.77Å; L199-T244 WeakPolarHBondContact CD2-O 3.48Å; L199-N247 HydrophobicContact CD2-CB 3.8Å; L199-A248 HydrophobicContact CD2-CB 3.94Å; L199-L251 HydrophobicContact CD1-CD2 4.04Å
200V98.9Very high98Very high1 Ų130.9 Ų30.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-136.8143.5179.4-69.40000109.6I2 S5 T222 I225 V226 I229 T244I2-V200 HydrophobicContact CG2-CG2 4.47Å; S5-V200 PolarHBondContact N-O 2.67Å; S5-V200 PolarHBondContact OG-O 3.41Å; V200-T222 HydrophobicContact CB-CG2 3.96Å; V200-T222 HydrophobicContact CG2-CG2 3.57Å; V200-I225 HydrophobicContact CB-CG2 3.95Å; V200-I225 HydrophobicContact CG1-CG2 3.76Å; V200-V226 HydrophobicContact CB-CG2 4.38Å; V200-V226 HydrophobicContact CG1-CG2 4.24Å; V200-V226 HydrophobicContact CG2-CG2 3.83Å; V200-I229 HydrophobicContact CG1-CD1 3.52Å; V200-T244 HydrophobicContact CG1-CG2 4.08Å; V200-T244 HydrophobicContact CG2-CG2 4.33Å
201E98.9Very high97.9Very high0 Ų035.4 Ų35.40%019%0.193CC..  trans-153163.6-177.765.7-171.2-13900112.3D4 H6 H153 S154 S173 F174 S175 I225D4-E201 WeakPolarHBondContact OD1-CA 3.4Å; H6-E201 HydrophobicContact CB-CB 3.72Å; H6-E201 HydrophobicContact CB-CG 4.08Å; H6-E201 WeakPolarHBondContact CB-OE2 3.31Å; H153-E201 IonicContact CE1-OE1 3.92Å; H153-E201 IonicContact CG-OE1 3.44Å; H153-E201 IonicContact ND1-OE1 2.7Å; H153-E201 PolarHBondContact ND1-OE1 2.72Å; S154-E201 WeakPolarHBondContact CA-OE1 3.39Å; S154-E201 WeakPolarHBondContact CB-OE1 2.83Å; S154-E201 PolarHBondContact N-OE1 3.41Å; S173-E201 WeakPolarHBondContact CB-OE2 3.35Å; S173-E201 VanDerWaalsContact OG-CG 3.32Å; S173-E201 WeakPolarHBondContact OG-CG 3.28Å; S173-E201 PolarHBondContact OG-OE2 2.85Å; F174-E201 PolarHBondContact O-N 3.08Å; F174-E201 VanDerWaalsContact O-N 3.13Å; S175-E201 VanDerWaalsContact CA-O 3.3Å; S175-E201 WeakPolarHBondContact CA-O 3.41Å; E201-I225 WeakPolarHBondContact O-CD1 3.46Å
202T98.7Very high97.9Very high0 Ų036.5 Ų36.50%019%0.19CC..  trans-93.6-37.2173.352.80000114.1D4 H6 T7 A204 N217 E218 P219 T222 I225D4-T202 PolarHBondContact OD1-N 3.2Å; D4-T202 WeakPolarHBondContact OD2-CB 3.41Å; D4-T202 WeakPolarHBondContact OD2-CG2 3.33Å; D4-T202 PolarHBondContact OD2-OG1 2.82Å; H6-T202 PolarHBondContact O-N 3.33Å; T7-T202 PolarHBondContact OG1-OG1 3.06Å; T202-A204 PolarHBondContact O-N 2.55Å; T202-A204 WeakPolarHBondContact OG1-CB 3.45Å; T202-A204 PolarHBondContact OG1-N 3.45Å; T202-N217 PolarHBondContact O-ND2 3.42Å; T202-E218 WeakPolarHBondContact CG2-O 3.19Å; T202-P219 WeakPolarHBondContact CG2-O 3.18Å; T202-T222 WeakPolarHBondContact CG2-OG1 3.4Å; T202-I225 HydrophobicContact CG2-CD1 4.28Å
203D98.2Very high97.9Very high17 Ų1738.8 Ų38.89%0.09119%0.189CC..  trans55.629.1-160.6-162.926000111.7H6 H8 H153 Y206 L207H6-D203 IonicContact CD2-OD1 3.64Å; H6-D203 IonicContact NE2-OD1 2.83Å; H6-D203 PolarHBondContact O-N 3.25Å; H8-D203 IonicContact CD2-OD1 3.49Å; H8-D203 PolarHBondContact CD2-OD1 3.47Å; H8-D203 IonicContact NE2-OD1 2.63Å; H8-D203 PolarHBondContact NE2-OD1 2.91Å; H153-D203 IonicContact CE1-OD1 3.53Å; H153-D203 IonicContact CE1-OD2 3.63Å; D203-Y206 WeakPolarHBondContact O-CA 3.28Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.45Å; D203-L207 HydrophobicContact CB-CD1 4.12Å; D203-L207 VanDerWaalsContact OD2-CD1 3.26Å; D203-L207 WeakPolarHBondContact OD2-CD1 3.31Å
204A98.6Very high97.6Very high0 Ų042.7 Ų42.70%023%0.229CC..THydrogen-bonded Turntrans-62.1140.1-178.700000110.4H8 F14 T202 N217H8-A204 CarbonylContact C-O 3.09Å; H8-A204 VanDerWaalsContact CA-O 3.27Å; H8-A204 WeakPolarHBondContact CA-O 3.26Å; H8-A204 VanDerWaalsContact CB-O 3.26Å; H8-A204 WeakPolarHBondContact CB-O 3.43Å; H8-A204 PolarHBondContact N-O 2.93Å; F14-A204 HydrophobicContact CE2-CB 4.46Å; F14-A204 HydrophobicContact CZ-CB 4.16Å; T202-A204 PolarHBondContact O-N 2.55Å; T202-A204 WeakPolarHBondContact OG1-CB 3.45Å; T202-A204 PolarHBondContact OG1-N 3.45Å; A204-N217 HydrophobicContact CB-CB 3.93Å
205P98.3Very high97.6Very high10 Ų1046.7 Ų46.77%0.06524%0.241CC..THydrogen-bonded Turncis-86.85.117.533.8-35.3000115.3A11 Q13 F14 R216 N217A11-P205 HydrophobicContact CB-CG 4.2Å; Q13-P205 HydrophobicContact CB-CB 4.26Å; Q13-P205 HydrophobicContact CB-CG 4.32Å; Q13-P205 HydrophobicContact CG-CB 4.44Å; Q13-P205 HydrophobicContact CG-CG 4.21Å; F14-P205 HydrophobicContact CE2-CB 3.75Å; F14-P205 HydrophobicContact CE2-CG 4.22Å; F14-P205 HydrophobicContact CZ-CB 3.86Å; P205-R216 HydrophobicContact CB-CG 3.87Å; P205-N217 WeakPolarHBondContact O-CB 3.28Å; P205-N217 PolarHBondContact O-N 3.14Å
206Y96.7Very high97.5Very high121 Ų12148.9 Ų48.948%0.47525%0.247SC..SBendtrans-93.4170.9-175.3-44.7-62.9000112.5D203 A208 N217D203-Y206 WeakPolarHBondContact O-CA 3.28Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.45Å; Y206-A208 PolarHBondContact O-N 3.36Å; Y206-N217 WeakPolarHBondContact O-CB 3.37Å; Y206-N217 VanDerWaalsContact O-CG 3.27Å; Y206-N217 PolarHBondContact O-ND2 3.4Å
207L95.9Very high97.5Very high60 Ų6045.1 Ų45.131%0.31423%0.227SC..SBendtrans57.834.2168.4-52-177000116.6S154 G176 V177 D203S154-L207 WeakPolarHBondContact OG-CD1 3.26Å; G176-L207 WeakPolarHBondContact CA-O 3.4Å; V177-L207 HydrophobicContact CG2-CB 4.5Å; V177-L207 HydrophobicContact CG2-CD1 4.12Å; V177-L207 HydrophobicContact CG2-CD2 4.13Å; V177-L207 HydrophobicContact CG2-CG 4.49Å; D203-L207 HydrophobicContact CB-CD1 4.12Å; D203-L207 VanDerWaalsContact OD2-CD1 3.26Å; D203-L207 WeakPolarHBondContact OD2-CD1 3.31Å
208A98.3Very high97.5Very high4 Ų443.2 Ų43.23%0.03322%0.219CC..PPolyproline II helixtrans-49.9127.6-179.900000113.1F180 Y206 R213 K215 N217F180-A208 VanDerWaalsContact CE1-O 3.3Å; F180-A208 WeakPolarHBondContact CE1-O 3.48Å; Y206-A208 PolarHBondContact O-N 3.36Å; A208-R213 WeakPolarHBondContact O-CA 3.41Å; A208-K215 WeakPolarHBondContact CB-O 3.38Å; A208-N217 VanDerWaalsContact CA-CG 3.44Å; A208-N217 HydrophobicContact CB-CB 3.75Å
209P98.5Very high97.5Very high0 Ų043.2 Ų43.20%022%0.219CC..PPolyproline II helixtrans-68.2165.8179.527.2-33.5000112T179 Y212 R213 N217 Y221 Y224 I225T179-P209 HydrophobicContact CG2-CB 3.65Å; T179-P209 VanDerWaalsContact OG1-CA 3.29Å; T179-P209 WeakPolarHBondContact OG1-CA 3.21Å; T179-P209 WeakPolarHBondContact OG1-CB 3.2Å; P209-Y212 CarbonylContact O-C 3.32Å; P209-Y212 VanDerWaalsContact O-C 3.32Å; P209-Y212 VanDerWaalsContact O-CA 3.27Å; P209-Y212 WeakPolarHBondContact O-CA 3.46Å; P209-Y212 WeakPolarHBondContact O-CB 3.4Å; P209-Y212 PolarHBondContact O-N 3.09Å; P209-R213 PolarHBondContact O-N 2.84Å; P209-N217 WeakPolarHBondContact CD-OD1 3.41Å; P209-Y221 HydrophobicContact CG-CD2 4.46Å; P209-Y221 HydrophobicContact CG-CG 4.49Å; P209-Y224 HydrophobicContact CG-CD2 4.16Å; P209-I225 HydrophobicContact CB-CG1 4.36Å
210M98.2Very high97.5Very high74 Ų7443.2 Ų43.237%0.36522%0.219SC..THydrogen-bonded Turntrans-60.7140164.4-65.7-63.1-62.800110T179 F180 R213T179-M210 VanDerWaalsContact O-CG 3.25Å; T179-M210 WeakPolarHBondContact O-CG 3.23Å; T179-M210 PolarHBondContact OG1-N 3.4Å; F180-M210 HydrophobicContact CD1-CG 4.44Å; M210-R213 HydrophobicContact SD-CB 3.81Å
211P96Very high97.5Very high95 Ų9544.5 Ų44.562%0.61722%0.224SC*.THydrogen-bonded Turncis-88.593.136.9-37.7000114.9
212Y97.3Very high97.5Very high61 Ų6144.5 Ų44.524%0.23922%0.224CC..SBendtrans-91.12.3-175.3-58.8-86000114.5P209 G214 K215 Y221 Y224P209-Y212 CarbonylContact O-C 3.32Å; P209-Y212 VanDerWaalsContact O-C 3.32Å; P209-Y212 VanDerWaalsContact O-CA 3.27Å; P209-Y212 WeakPolarHBondContact O-CA 3.46Å; P209-Y212 WeakPolarHBondContact O-CB 3.4Å; P209-Y212 PolarHBondContact O-N 3.09Å; Y212-G214 PolarHBondContact O-N 2.95Å; Y212-K215 HydrophobicContact CD1-CD 4.18Å; Y212-K215 VanDerWaalsContact O-CB 3.22Å; Y212-K215 WeakPolarHBondContact O-CB 3.26Å; Y212-K215 PolarHBondContact O-N 3.47Å; Y212-Y221 AromaticContact CD1-CE2 3.93Å; Y212-Y221 HydrophobicContact CD1-CE2 3.93Å; Y212-Y221 AromaticContact CD1-CZ 3.87Å; Y212-Y221 HydrophobicContact CD2-CD2 4.18Å; Y212-Y221 AromaticContact CD2-CE2 3.94Å; Y212-Y221 HydrophobicContact CD2-CE2 3.94Å; Y212-Y221 HydrophobicContact CE2-CE1 4.45Å; Y212-Y221 HydrophobicContact CG-CD2 4.18Å; Y212-Y221 AromaticContact CG-CE2 3.58Å; Y212-Y221 HydrophobicContact CG-CE2 3.58Å; Y212-Y221 AromaticContact CG-CZ 3.91Å; Y212-Y224 HydrophobicContact CD2-CD2 4.25Å; Y212-Y224 AromaticContact CD2-CE2 3.91Å; Y212-Y224 HydrophobicContact CD2-CE2 3.91Å; Y212-Y224 HydrophobicContact CE2-CD2 4.14Å; Y212-Y224 HydrophobicContact CE2-CE1 4.39Å; Y212-Y224 AromaticContact CE2-CE2 3.41Å; Y212-Y224 HydrophobicContact CE2-CE2 3.41Å; Y212-Y224 VanDerWaalsContact CE2-CE2 3.41Å; Y212-Y224 AromaticContact CE2-CZ 3.56Å; Y212-Y224 PolarHBondContact OH-OH 3.21Å
213R94.1Very high97.5Very high137 Ų13748.4 Ų48.452%0.51724%0.239SC..THydrogen-bonded Turntrans-49.2127.3179.3-172.5-178.1-176.2173.92.8111.8F180 A208 P209 M210F180-R213 HydrophobicContact CD1-CG 4.29Å; F180-R213 VanDerWaalsContact CD2-CZ 3.47Å; F180-R213 HydrophobicContact CE1-CB 4.05Å; F180-R213 HydrophobicContact CE1-CG 3.65Å; F180-R213 HydrophobicContact CZ-CG 3.86Å; A208-R213 WeakPolarHBondContact O-CA 3.41Å; P209-R213 PolarHBondContact O-N 2.84Å; M210-R213 HydrophobicContact SD-CB 3.81Å
214G93Very high97.5Very high83 Ų8349.6 Ų49.686%0.85624%0.243SC*.THydrogen-bonded Turntrans89.7-3.2-176.400000114.4Y212Y212-G214 PolarHBondContact O-N 2.95Å
215K96.8Very high97.5Very high140 Ų14049.6 Ų49.661%0.60924%0.243SC*.SBendtrans-99.8169.7166.1-55.3-179.6177.4-179.60109.8A208 Y212 N217A208-K215 WeakPolarHBondContact CB-O 3.38Å; Y212-K215 HydrophobicContact CD1-CD 4.18Å; Y212-K215 VanDerWaalsContact O-CB 3.22Å; Y212-K215 WeakPolarHBondContact O-CB 3.26Å; Y212-K215 PolarHBondContact O-N 3.47Å; K215-N217 PolarHBondContact O-N 3.33Å
216R97.4Very high97.6Very high83 Ų8349.1 Ų49.131%0.31324%0.239SC..PPolyproline II helixtrans-58.8133.4170.3-168.3-177.366.8-170.8-1.8109.3Q13 E17 P205 E218Q13-R216 PolarHBondContact O-NH1 3.01Å; E17-R216 IonicContact OE1-CZ 3.89Å; E17-R216 IonicContact OE1-NH1 3.77Å; E17-R216 PolarHBondContact OE1-NH1 3.23Å; E17-R216 IonicContact OE1-NH2 2.86Å; E17-R216 PolarHBondContact OE1-NH2 3.34Å; E17-R216 IonicContact OE2-NH2 2.78Å; E17-R216 PolarHBondContact OE2-NH2 2.83Å; P205-R216 HydrophobicContact CB-CG 3.87Å; R216-E218 IonicContact NH2-OE1 3.4Å; R216-E218 PolarHBondContact NH2-OE1 2.9Å
217N98.6Very high97.7Very high0 Ų046.7 Ų46.70%023%0.232CC..PPolyproline II helixtrans-79.6158.7172.8-1619.2000110.8F14 T202 A204 P205 Y206 A208 P209 K215 Y221F14-N217 WeakPolarHBondContact CZ-O 3.49Å; T202-N217 PolarHBondContact O-ND2 3.42Å; A204-N217 HydrophobicContact CB-CB 3.93Å; P205-N217 WeakPolarHBondContact O-CB 3.28Å; P205-N217 PolarHBondContact O-N 3.14Å; Y206-N217 WeakPolarHBondContact O-CB 3.37Å; Y206-N217 VanDerWaalsContact O-CG 3.27Å; Y206-N217 PolarHBondContact O-ND2 3.4Å; A208-N217 VanDerWaalsContact CA-CG 3.44Å; A208-N217 HydrophobicContact CB-CB 3.75Å; P209-N217 WeakPolarHBondContact CD-OD1 3.41Å; K215-N217 PolarHBondContact O-N 3.33Å; N217-Y221 WeakPolarHBondContact OD1-CB 3.5Å; N217-Y221 WeakPolarHBondContact OD1-CD2 3.47Å
218E98.5Very high97.8Very high20 Ų2045.5 Ų45.59%0.09323%0.225CC..  trans-137.6149.2176.4-58.7-163159.800109.9R24 T202 R216 G220 Y221R24-E218 IonicContact CZ-OE1 3.23Å; R24-E218 IonicContact CZ-OE2 3.19Å; R24-E218 IonicContact NE-OE1 3.26Å; R24-E218 IonicContact NE-OE2 3.57Å; R24-E218 PolarHBondContact NE-OE2 2.67Å; R24-E218 IonicContact NH2-OE1 3.76Å; R24-E218 PolarHBondContact NH2-OE1 3.21Å; R24-E218 IonicContact NH2-OE2 3.69Å; T202-E218 WeakPolarHBondContact CG2-O 3.19Å; R216-E218 IonicContact NH2-OE1 3.4Å; R216-E218 PolarHBondContact NH2-OE1 2.9Å; E218-G220 PolarHBondContact O-N 2.72Å; E218-G220 VanDerWaalsContact O-N 3.09Å; E218-Y221 HydrophobicContact CB-CD1 4.23Å; E218-Y221 HydrophobicContact CB-CD2 4.46Å; E218-Y221 HydrophobicContact CB-CE1 4.18Å; E218-Y221 HydrophobicContact CB-CE2 4.42Å; E218-Y221 HydrophobicContact CB-CG 4.36Å; E218-Y221 HydrophobicContact CG-CE1 4.46Å; E218-Y221 HydrophobicContact CG-CE2 4.36Å; E218-Y221 VanDerWaalsContact O-CB 3.27Å; E218-Y221 WeakPolarHBondContact O-CB 3.33Å; E218-Y221 PolarHBondContact O-N 3.41Å
219P98.7Very high97.8Very high0 Ų045.3 Ų45.30%022%0.223CC..G310 helixtrans-52.9-34.8179.1-2632.6000113.8D4 T7 L9 T21 A25 M33 T202 Y221 T222D4-P219 WeakPolarHBondContact OD2-CA 3.49Å; T7-P219 HydrophobicContact CG2-CG 4.46Å; L9-P219 HydrophobicContact CD1-CG 4.32Å; T21-P219 HydrophobicContact CG2-CG 4.21Å; A25-P219 HydrophobicContact CB-CB 4.26Å; M33-P219 HydrophobicContact CE-CB 4.03Å; M33-P219 HydrophobicContact SD-CB 4.15Å; M33-P219 HydrophobicContact SD-CG 4.31Å; T202-P219 WeakPolarHBondContact CG2-O 3.18Å; P219-Y221 PolarHBondContact O-N 2.93Å; P219-Y221 VanDerWaalsContact O-N 3.13Å; P219-T222 WeakPolarHBondContact O-CB 3.47Å; P219-T222 PolarHBondContact O-N 3.18Å; P219-T222 PolarHBondContact O-OG1 3.43Å
220G98.6Very high97.8Very high1 Ų145.6 Ų45.61%0.0123%0.225CC..G310 helixtrans-59.6-22.7175.800000114.5L28 E218 T222 R223L28-G220 WeakPolarHBondContact CD1-O 3.3Å; E218-G220 PolarHBondContact O-N 2.72Å; E218-G220 VanDerWaalsContact O-N 3.09Å; G220-T222 PolarHBondContact O-N 2.89Å; G220-R223 WeakPolarHBondContact O-CB 3.02Å; G220-R223 PolarHBondContact O-N 2.83Å
221Y98.8Very high97.8Very high29 Ų2948.2 Ų48.211%0.11424%0.237CC..G310 helixtrans-75.3-5.9-178.1-64.90.3000112.9L28 P209 Y212 N217 E218 P219 R223 Y224L28-Y221 HydrophobicContact CD1-CD1 4.11Å; L28-Y221 HydrophobicContact CD1-CE1 4.4Å; P209-Y221 HydrophobicContact CG-CD2 4.46Å; P209-Y221 HydrophobicContact CG-CG 4.49Å; Y212-Y221 AromaticContact CD1-CE2 3.93Å; Y212-Y221 HydrophobicContact CD1-CE2 3.93Å; Y212-Y221 AromaticContact CD1-CZ 3.87Å; Y212-Y221 HydrophobicContact CD2-CD2 4.18Å; Y212-Y221 AromaticContact CD2-CE2 3.94Å; Y212-Y221 HydrophobicContact CD2-CE2 3.94Å; Y212-Y221 HydrophobicContact CE2-CE1 4.45Å; Y212-Y221 HydrophobicContact CG-CD2 4.18Å; Y212-Y221 AromaticContact CG-CE2 3.58Å; Y212-Y221 HydrophobicContact CG-CE2 3.58Å; Y212-Y221 AromaticContact CG-CZ 3.91Å; N217-Y221 WeakPolarHBondContact OD1-CB 3.5Å; N217-Y221 WeakPolarHBondContact OD1-CD2 3.47Å; E218-Y221 HydrophobicContact CB-CD1 4.23Å; E218-Y221 HydrophobicContact CB-CD2 4.46Å; E218-Y221 HydrophobicContact CB-CE1 4.18Å; E218-Y221 HydrophobicContact CB-CE2 4.42Å; E218-Y221 HydrophobicContact CB-CG 4.36Å; E218-Y221 HydrophobicContact CG-CE1 4.46Å; E218-Y221 HydrophobicContact CG-CE2 4.36Å; E218-Y221 VanDerWaalsContact O-CB 3.27Å; E218-Y221 WeakPolarHBondContact O-CB 3.33Å; E218-Y221 PolarHBondContact O-N 3.41Å; P219-Y221 PolarHBondContact O-N 2.93Å; P219-Y221 VanDerWaalsContact O-N 3.13Å; Y221-R223 PolarHBondContact O-N 2.66Å; Y221-R223 VanDerWaalsContact O-N 3.1Å; Y221-Y224 HydrophobicContact CD1-CD2 4.14Å; Y221-Y224 AromaticContact CD1-CE2 3.64Å; Y221-Y224 HydrophobicContact CD1-CE2 3.64Å; Y221-Y224 HydrophobicContact CE1-CE2 4.24Å; Y221-Y224 HydrophobicContact CG-CD2 4.04Å; Y221-Y224 AromaticContact CG-CE2 3.99Å; Y221-Y224 HydrophobicContact CG-CE2 3.99Å; Y221-Y224 PolarHBondContact O-N 3.47Å
222T98.8Very high97.9Very high0 Ų046.2 Ų46.20%022%0.22CC..Hα-helixtrans-50.4-32.4165.1-53.70000111.2I2 D4 V200 T202 P219 G220 Y224 I225 V226I2-T222 HydrophobicContact CG2-CG2 3.56Å; D4-T222 HydrophobicContact CB-CG2 4.36Å; D4-T222 VanDerWaalsContact CB-OG1 3.31Å; D4-T222 WeakPolarHBondContact CB-OG1 3.28Å; D4-T222 PolarHBondContact OD2-OG1 2.98Å; V200-T222 HydrophobicContact CB-CG2 3.96Å; V200-T222 HydrophobicContact CG2-CG2 3.57Å; T202-T222 WeakPolarHBondContact CG2-OG1 3.4Å; P219-T222 WeakPolarHBondContact O-CB 3.47Å; P219-T222 PolarHBondContact O-N 3.18Å; P219-T222 PolarHBondContact O-OG1 3.43Å; G220-T222 PolarHBondContact O-N 2.89Å; T222-Y224 VanDerWaalsContact C-N 3.29Å; T222-Y224 PolarHBondContact O-N 3.04Å; T222-I225 WeakPolarHBondContact O-CB 3.32Å; T222-I225 PolarHBondContact O-N 3.39Å; T222-I225 VanDerWaalsContact O-N 3.11Å; T222-V226 WeakPolarHBondContact O-CG2 3.46Å; T222-V226 PolarHBondContact O-N 3.25Å
223R98.8Very high98Very high82 Ų8246 Ų4631%0.30922%0.219SC..Hα-helixtrans-49.7-46.6172-175.4-173.7171.781.716113.3I2 L28 G220 Y221 I225 V226 E227 M237I2-R223 HydrophobicContact CD1-CB 4.06Å; I2-R223 HydrophobicContact CD1-CG 4.28Å; L28-R223 HydrophobicContact CB-CB 4.44Å; G220-R223 WeakPolarHBondContact O-CB 3.02Å; G220-R223 PolarHBondContact O-N 2.83Å; Y221-R223 PolarHBondContact O-N 2.66Å; Y221-R223 VanDerWaalsContact O-N 3.1Å; R223-I225 VanDerWaalsContact C-N 3.3Å; R223-I225 PolarHBondContact O-N 2.99Å; R223-V226 PolarHBondContact O-N 3.06Å; R223-E227 IonicContact CZ-OE1 3.54Å; R223-E227 VanDerWaalsContact CZ-OE1 3.24Å; R223-E227 IonicContact NE-OE1 3.28Å; R223-E227 PolarHBondContact NE-OE1 3.48Å; R223-E227 IonicContact NH2-OE1 2.66Å; R223-E227 PolarHBondContact NH2-OE1 2.96Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.29Å; R223-M237 HydrophobicContact CG-CE 3.88Å
224Y98.8Very high98.2Very high42 Ų4246.7 Ų46.717%0.16523%0.233CC..Hα-helixtrans-72.4-26.6-176.8-56-64.3000112.6P209 Y212 Y221 T222 K228P209-Y224 HydrophobicContact CG-CD2 4.16Å; Y212-Y224 HydrophobicContact CD2-CD2 4.25Å; Y212-Y224 AromaticContact CD2-CE2 3.91Å; Y212-Y224 HydrophobicContact CD2-CE2 3.91Å; Y212-Y224 HydrophobicContact CE2-CD2 4.14Å; Y212-Y224 HydrophobicContact CE2-CE1 4.39Å; Y212-Y224 AromaticContact CE2-CE2 3.41Å; Y212-Y224 HydrophobicContact CE2-CE2 3.41Å; Y212-Y224 VanDerWaalsContact CE2-CE2 3.41Å; Y212-Y224 AromaticContact CE2-CZ 3.56Å; Y212-Y224 PolarHBondContact OH-OH 3.21Å; Y221-Y224 HydrophobicContact CD1-CD2 4.14Å; Y221-Y224 AromaticContact CD1-CE2 3.64Å; Y221-Y224 HydrophobicContact CD1-CE2 3.64Å; Y221-Y224 HydrophobicContact CE1-CE2 4.24Å; Y221-Y224 HydrophobicContact CG-CD2 4.04Å; Y221-Y224 AromaticContact CG-CE2 3.99Å; Y221-Y224 HydrophobicContact CG-CE2 3.99Å; Y221-Y224 PolarHBondContact O-N 3.47Å; T222-Y224 VanDerWaalsContact C-N 3.29Å; T222-Y224 PolarHBondContact O-N 3.04Å; Y224-K228 WeakPolarHBondContact O-CB 3.35Å; Y224-K228 PolarHBondContact O-N 3.29Å
225I98.8Very high98.4Very high0 Ų046 Ų460%021%0.209CC..Hα-helixtrans-69.9-46.2172.4-66.5140.6000109.7F174 V178 V200 E201 T202 P209 T222 R223 E227 K228 I229F174-I225 WeakPolarHBondContact O-CG2 3.41Å; V178-I225 HydrophobicContact CG1-CG2 3.97Å; V200-I225 HydrophobicContact CB-CG2 3.95Å; V200-I225 HydrophobicContact CG1-CG2 3.76Å; E201-I225 WeakPolarHBondContact O-CD1 3.46Å; T202-I225 HydrophobicContact CG2-CD1 4.28Å; P209-I225 HydrophobicContact CB-CG1 4.36Å; T222-I225 WeakPolarHBondContact O-CB 3.32Å; T222-I225 PolarHBondContact O-N 3.39Å; T222-I225 VanDerWaalsContact O-N 3.11Å; R223-I225 VanDerWaalsContact C-N 3.3Å; R223-I225 PolarHBondContact O-N 2.99Å; I225-E227 PolarHBondContact O-N 3.43Å; I225-K228 PolarHBondContact O-N 2.83Å; I225-I229 HydrophobicContact CG2-CD1 4.07Å; I225-I229 WeakPolarHBondContact O-CG1 3.32Å; I225-I229 PolarHBondContact O-N 2.94Å
226V98.9Very high98.5Very high0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-57.9-48.2173.8179.30000110.7I2 V200 T222 R223 K228 I229 A230 M237 V240 A241I2-V226 HydrophobicContact CD1-CG2 4.32Å; I2-V226 HydrophobicContact CG2-CG2 3.99Å; V200-V226 HydrophobicContact CB-CG2 4.38Å; V200-V226 HydrophobicContact CG1-CG2 4.24Å; V200-V226 HydrophobicContact CG2-CG2 3.83Å; T222-V226 WeakPolarHBondContact O-CG2 3.46Å; T222-V226 PolarHBondContact O-N 3.25Å; R223-V226 PolarHBondContact O-N 3.06Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 2.98Å; V226-I229 PolarHBondContact O-N 3.02Å; V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 3.4Å; V226-M237 HydrophobicContact CB-CE 4.31Å; V226-M237 HydrophobicContact CG1-CE 4.02Å; V226-M237 HydrophobicContact CG1-CG 3.86Å; V226-V240 HydrophobicContact CG1-CB 3.8Å; V226-V240 HydrophobicContact CG1-CG1 3.81Å; V226-A241 HydrophobicContact CG1-CB 4.02Å
227E98.7Very high98.5Very high69 Ų6940.6 Ų40.632%0.32220%0.197SC..Hα-helixtrans-57.8-42.7177.3-75174.3-179.500111.7R223 I225 A230 E231 M237R223-E227 IonicContact CZ-OE1 3.54Å; R223-E227 VanDerWaalsContact CZ-OE1 3.24Å; R223-E227 IonicContact NE-OE1 3.28Å; R223-E227 PolarHBondContact NE-OE1 3.48Å; R223-E227 IonicContact NH2-OE1 2.66Å; R223-E227 PolarHBondContact NH2-OE1 2.96Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.29Å; I225-E227 PolarHBondContact O-N 3.43Å; E227-A230 WeakPolarHBondContact O-CB 3.21Å; E227-A230 PolarHBondContact O-N 3.44Å; E227-E231 PolarHBondContact O-N 2.86Å; E227-M237 HydrophobicContact CG-CG 3.89Å
228K98.7Very high98.5Very high36 Ų3647 Ų4716%0.15723%0.227CC..Hα-helixtrans-66.9-42178.3-177.559.9-176.2170.20112.5V178 T179 Y224 I225 V226 A230 E231 L232V178-K228 HydrophobicContact CG1-CB 4.41Å; V178-K228 HydrophobicContact CG1-CG 4.32Å; T179-K228 HydrophobicContact CG2-CB 3.82Å; T179-K228 HydrophobicContact CG2-CG 4.15Å; Y224-K228 WeakPolarHBondContact O-CB 3.35Å; Y224-K228 PolarHBondContact O-N 3.29Å; I225-K228 PolarHBondContact O-N 2.83Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 2.98Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-E231 WeakPolarHBondContact CD-OE2 3.33Å; K228-E231 IonicContact NZ-OE1 3.71Å; K228-E231 PolarHBondContact NZ-OE1 2.99Å; K228-E231 IonicContact NZ-OE2 2.81Å; K228-E231 PolarHBondContact NZ-OE2 3.31Å; K228-E231 WeakPolarHBondContact O-CB 3.43Å; K228-E231 PolarHBondContact O-N 3.34Å; K228-L232 HydrophobicContact CD-CG 4.42Å; K228-L232 HydrophobicContact CG-CD1 4.18Å; K228-L232 HydrophobicContact CG-CG 4.46Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.15Å
229I98.7Very high98.5Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-66-39.7177.4-65.2170.1000110.3F174 V178 A190 L198 V200 I225 V226 E231 L232 R233 V240F174-I229 HydrophobicContact CB-CD1 4.17Å; F174-I229 HydrophobicContact CD2-CD1 4.34Å; V178-I229 HydrophobicContact CG1-CG1 4.48Å; V178-I229 HydrophobicContact CG2-CG1 4.45Å; A190-I229 HydrophobicContact CB-CG1 4.38Å; L198-I229 HydrophobicContact CD1-CD1 4.43Å; L198-I229 HydrophobicContact CD2-CG2 3.84Å; V200-I229 HydrophobicContact CG1-CD1 3.52Å; I225-I229 HydrophobicContact CG2-CD1 4.07Å; I225-I229 WeakPolarHBondContact O-CG1 3.32Å; I225-I229 PolarHBondContact O-N 2.94Å; V226-I229 PolarHBondContact O-N 3.02Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.23Å; I229-L232 PolarHBondContact O-N 3.17Å; I229-R233 HydrophobicContact CG2-CG 4.18Å; I229-R233 WeakPolarHBondContact O-CB 3.17Å; I229-R233 VanDerWaalsContact O-CG 3.28Å; I229-R233 WeakPolarHBondContact O-CG 3.39Å; I229-R233 PolarHBondContact O-N 2.85Å; I229-V240 HydrophobicContact CB-CG1 4.25Å; I229-V240 HydrophobicContact CG2-CG1 4.02Å
230A98.7Very high98.5Very high5 Ų549 Ų494%0.04124%0.236CC..Hα-helixtrans-57.8-44.3173.800000111.9V226 E227 K228 R233 N234 L235 M237 V240V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 3.4Å; E227-A230 WeakPolarHBondContact O-CB 3.21Å; E227-A230 PolarHBondContact O-N 3.44Å; K228-A230 VanDerWaalsContact C-N 3.32Å; A230-R233 PolarHBondContact O-N 2.83Å; A230-N234 WeakPolarHBondContact O-CA 3.39Å; A230-N234 PolarHBondContact O-N 3.03Å; A230-L235 WeakPolarHBondContact CB-O 3.49Å; A230-L235 PolarHBondContact O-N 3.08Å; A230-M237 HydrophobicContact CB-CB 4.25Å; A230-V240 HydrophobicContact CB-CG2 3.81Å
231E98.4Very high98.5Very high130 Ų13049.2 Ų49.261%0.60724%0.238SC*.Hα-helixtrans-59.5-51.7173.3-174-155.8140.100111.9E227 K228 I229 R233 N234E227-E231 PolarHBondContact O-N 2.86Å; K228-E231 WeakPolarHBondContact CD-OE2 3.33Å; K228-E231 IonicContact NZ-OE1 3.71Å; K228-E231 PolarHBondContact NZ-OE1 2.99Å; K228-E231 IonicContact NZ-OE2 2.81Å; K228-E231 PolarHBondContact NZ-OE2 3.31Å; K228-E231 WeakPolarHBondContact O-CB 3.43Å; K228-E231 PolarHBondContact O-N 3.34Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.23Å; E231-R233 PolarHBondContact O-N 3.06Å; E231-N234 PolarHBondContact O-N 3.4Å
232L98Very high98.5Very high52 Ų5252.4 Ų52.427%0.27225%0.25SS..Hα-helixtrans-60.6-31.4-178.4-70.4170.5000112.8V178 Q187 A190 K228 I229V178-L232 HydrophobicContact CG2-CD1 3.94Å; Q187-L232 HydrophobicContact CB-CD1 3.94Å; Q187-L232 HydrophobicContact CB-CD2 4.12Å; Q187-L232 HydrophobicContact CG-CD1 3.94Å; Q187-L232 HydrophobicContact CG-CD2 4.34Å; A190-L232 HydrophobicContact CB-CD1 4.33Å; K228-L232 HydrophobicContact CD-CG 4.42Å; K228-L232 HydrophobicContact CG-CD1 4.18Å; K228-L232 HydrophobicContact CG-CG 4.46Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.15Å; I229-L232 PolarHBondContact O-N 3.17Å
233R97.9Very high98.5Very high56 Ų5654.1 Ų54.121%0.21126%0.258CS..Hα-helixtrans-99.7-1.7-177.5-56.8-168.894.7170.516.3113.7A191 V193 M195 I229 A230 E231 L235A191-R233 PolarHBondContact O-NE 3.45Å; A191-R233 VanDerWaalsContact O-NE 3.09Å; A191-R233 PolarHBondContact O-NH2 2.81Å; V193-R233 VanDerWaalsContact O-CZ 3.29Å; V193-R233 PolarHBondContact O-NH1 2.95Å; V193-R233 VanDerWaalsContact O-NH1 3.16Å; V193-R233 PolarHBondContact O-NH2 3.09Å; M195-R233 PolarHBondContact SD-NH1 3.02Å; I229-R233 HydrophobicContact CG2-CG 4.18Å; I229-R233 WeakPolarHBondContact O-CB 3.17Å; I229-R233 VanDerWaalsContact O-CG 3.28Å; I229-R233 WeakPolarHBondContact O-CG 3.39Å; I229-R233 PolarHBondContact O-N 2.85Å; A230-R233 PolarHBondContact O-N 2.83Å; E231-R233 PolarHBondContact O-N 3.06Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 HydrophobicContact CB-CD1 3.91Å; R233-L235 HydrophobicContact CB-CG 4.01Å; R233-L235 PolarHBondContact O-N 2.95Å
234N97.9Very high98.5Very high153 Ų15350.3 Ų50.382%0.81824%0.244SC*.THydrogen-bonded Turntrans5147.5-173.4-170.146.9000112.5A230 E231A230-N234 WeakPolarHBondContact O-CA 3.39Å; A230-N234 PolarHBondContact O-N 3.03Å; E231-N234 PolarHBondContact O-N 3.4Å
235L98.2Very high98.5Very high68 Ų6848.8 Ų48.836%0.35624%0.239SC..  trans-116.7156.4179.1-68.4175.7000110.9M195 A230 R233 V240M195-L235 HydrophobicContact SD-CD1 4.32Å; A230-L235 WeakPolarHBondContact CB-O 3.49Å; A230-L235 PolarHBondContact O-N 3.08Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 HydrophobicContact CB-CD1 3.91Å; R233-L235 HydrophobicContact CB-CG 4.01Å; R233-L235 PolarHBondContact O-N 2.95Å; L235-V240 HydrophobicContact CB-CG2 4.17Å; L235-V240 HydrophobicContact CD1-CG2 4.37Å
236P98.3Very high98.4Very high79 Ų7952.3 Ų52.351%0.51326%0.255SS..  trans-59.8140.8165.4-20.933.4000111.1E238 E239 V240P236-E238 PolarHBondContact O-N 2.92Å; P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 PolarHBondContact O-N 3.01Å; P236-E239 VanDerWaalsContact O-N 3.13Å; P236-V240 PolarHBondContact O-N 3.19Å
237M97.9Very high98.4Very high31 Ų3152.3 Ų52.315%0.15326%0.255CS..Hα-helixtrans-60.1-36.2178.4176.1-96178.700111.8I2 R223 V226 E227 A230 E239 V240 A241I2-M237 HydrophobicContact CD1-CE 3.61Å; I2-M237 HydrophobicContact CG1-CE 4.45Å; R223-M237 HydrophobicContact CG-CE 3.88Å; V226-M237 HydrophobicContact CB-CE 4.31Å; V226-M237 HydrophobicContact CG1-CE 4.02Å; V226-M237 HydrophobicContact CG1-CG 3.86Å; E227-M237 HydrophobicContact CG-CG 3.89Å; A230-M237 HydrophobicContact CB-CB 4.25Å; M237-E239 VanDerWaalsContact C-N 3.29Å; M237-E239 PolarHBondContact O-N 3.36Å; M237-V240 PolarHBondContact O-N 3.02Å; M237-A241 WeakPolarHBondContact O-CB 3.41Å; M237-A241 PolarHBondContact O-N 3.02Å
238E98.1Very high98.4Very high133 Ų13349.1 Ų49.162%0.62124%0.24SC*.Hα-helixtrans-62.7-35.9177.9-62.475.9-168.100112.1P236 R242P236-E238 PolarHBondContact O-N 2.92Å; E238-R242 VanDerWaalsContact O-CB 3.23Å; E238-R242 WeakPolarHBondContact O-CB 3.25Å; E238-R242 PolarHBondContact O-N 3.44Å
239E98.5Very high98.4Very high62 Ų6248.8 Ų48.829%0.2924%0.24SC..Hα-helixtrans-70.7-40.4177.6176.659-168.300111P236 M237 R242 Q243P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 PolarHBondContact O-N 3.01Å; P236-E239 VanDerWaalsContact O-N 3.13Å; M237-E239 VanDerWaalsContact C-N 3.29Å; M237-E239 PolarHBondContact O-N 3.36Å; E239-R242 IonicContact OE1-CZ 3.57Å; E239-R242 IonicContact OE1-NH2 3.95Å; E239-R242 PolarHBondContact OE1-NH2 2.97Å; E239-R242 IonicContact OE2-CZ 3.24Å; E239-R242 IonicContact OE2-NE 2.85Å; E239-R242 PolarHBondContact OE2-NE 3.31Å; E239-R242 IonicContact OE2-NH2 2.9Å; E239-R242 PolarHBondContact OE2-NH2 3.29Å; E239-Q243 HydrophobicContact CG-CG 4.46Å; E239-Q243 WeakPolarHBondContact O-CB 3.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.47Å; E239-Q243 PolarHBondContact O-N 2.91Å; E239-Q243 VanDerWaalsContact OE1-CG 3.29Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.45Å; E239-Q243 PolarHBondContact OE1-NE2 2.94Å
240V98.7Very high98.4Very high0 Ų055.8 Ų55.80%027%0.266CS..Hα-helixtrans-64.2-49.2174.9-176.70000110.6M195 L198 V226 I229 A230 L235 P236 M237 R242 Q243 T244M195-V240 HydrophobicContact CE-CB 4.21Å; M195-V240 HydrophobicContact CE-CG1 4.22Å; M195-V240 HydrophobicContact CE-CG2 4.15Å; L198-V240 HydrophobicContact CD2-CG1 4.37Å; V226-V240 HydrophobicContact CG1-CB 3.8Å; V226-V240 HydrophobicContact CG1-CG1 3.81Å; I229-V240 HydrophobicContact CB-CG1 4.25Å; I229-V240 HydrophobicContact CG2-CG1 4.02Å; A230-V240 HydrophobicContact CB-CG2 3.81Å; L235-V240 HydrophobicContact CB-CG2 4.17Å; L235-V240 HydrophobicContact CD1-CG2 4.37Å; P236-V240 PolarHBondContact O-N 3.19Å; M237-V240 PolarHBondContact O-N 3.02Å; V240-R242 VanDerWaalsContact C-N 3.33Å; V240-R242 PolarHBondContact O-N 3.07Å; V240-Q243 PolarHBondContact O-N 3.24Å; V240-T244 HydrophobicContact CG1-CG2 4.15Å; V240-T244 WeakPolarHBondContact O-CG2 3.27Å; V240-T244 PolarHBondContact O-N 3.34Å; V240-T244 PolarHBondContact O-OG1 2.94Å; V240-T244 VanDerWaalsContact O-OG1 3.05Å
241A98.8Very high98.3Very high6 Ų656.3 Ų56.35%0.0527%0.268CS..Hα-helixtrans-56.3-46177.800000112.4I2 V226 M237 T244 T245I2-A241 HydrophobicContact CG1-CB 3.9Å; V226-A241 HydrophobicContact CG1-CB 4.02Å; M237-A241 WeakPolarHBondContact O-CB 3.41Å; M237-A241 PolarHBondContact O-N 3.02Å; A241-T244 PolarHBondContact O-OG1 3.19Å; A241-T245 VanDerWaalsContact O-CB 3.26Å; A241-T245 WeakPolarHBondContact O-CB 3.44Å; A241-T245 PolarHBondContact O-N 3.15Å; A241-T245 VanDerWaalsContact O-N 3.11Å; A241-T245 PolarHBondContact O-OG1 2.89Å
242R98.4Very high98.3Very high97 Ų9750.5 Ų50.537%0.36624%0.241SC..Hα-helixtrans-62-51.8179.3-174.7-171.566.272.52.2111.1E238 E239 V240 T245 E246E238-R242 VanDerWaalsContact O-CB 3.23Å; E238-R242 WeakPolarHBondContact O-CB 3.25Å; E238-R242 PolarHBondContact O-N 3.44Å; E239-R242 IonicContact OE1-CZ 3.57Å; E239-R242 IonicContact OE1-NH2 3.95Å; E239-R242 PolarHBondContact OE1-NH2 2.97Å; E239-R242 IonicContact OE2-CZ 3.24Å; E239-R242 IonicContact OE2-NE 2.85Å; E239-R242 PolarHBondContact OE2-NE 3.31Å; E239-R242 IonicContact OE2-NH2 2.9Å; E239-R242 PolarHBondContact OE2-NH2 3.29Å; V240-R242 VanDerWaalsContact C-N 3.33Å; V240-R242 PolarHBondContact O-N 3.07Å; R242-T245 PolarHBondContact O-N 3.23Å; R242-E246 WeakPolarHBondContact CG-OE1 3.28Å; R242-E246 IonicContact CZ-OE1 2.86Å; R242-E246 IonicContact NH1-OE1 2.99Å; R242-E246 PolarHBondContact NH1-OE1 3.45Å; R242-E246 IonicContact NH1-OE2 2.77Å; R242-E246 PolarHBondContact NH1-OE2 2.92Å; R242-E246 WeakPolarHBondContact O-CG 3.35Å; R242-E246 PolarHBondContact O-N 2.93Å
243Q98.5Very high98.2Very high36 Ų3654.2 Ų54.217%0.16825%0.251CS..Hα-helixtrans-65.3-43.9-176.4-70.4-78.516.100112.5M195 E239 V240 T245 E246 N247M195-Q243 HydrophobicContact CE-CB 3.39Å; M195-Q243 HydrophobicContact CE-CG 3.77Å; M195-Q243 HydrophobicContact CG-CB 3.98Å; M195-Q243 HydrophobicContact CG-CG 3.87Å; E239-Q243 HydrophobicContact CG-CG 4.46Å; E239-Q243 WeakPolarHBondContact O-CB 3.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.47Å; E239-Q243 PolarHBondContact O-N 2.91Å; E239-Q243 VanDerWaalsContact OE1-CG 3.29Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.45Å; E239-Q243 PolarHBondContact OE1-NE2 2.94Å; V240-Q243 PolarHBondContact O-N 3.24Å; Q243-T245 VanDerWaalsContact C-N 3.29Å; Q243-T245 PolarHBondContact O-N 3.23Å; Q243-E246 PolarHBondContact O-N 3.06Å; Q243-N247 WeakPolarHBondContact O-CB 3.01Å; Q243-N247 PolarHBondContact O-N 3.47Å; Q243-N247 PolarHBondContact O-ND2 3.38Å; Q243-N247 PolarHBondContact O-OD1 3.03Å
244T98.8Very high98.1Very high2 Ų252.5 Ų52.51%0.01225%0.246CC..Hα-helixtrans-65.8-36178.558.90000111.4L198 L199 V200 V240 A241 N247 A248L198-T244 HydrophobicContact CB-CG2 4.47Å; L198-T244 HydrophobicContact CD2-CG2 3.95Å; L198-T244 HydrophobicContact CG-CG2 3.97Å; L199-T244 WeakPolarHBondContact CD2-O 3.48Å; V200-T244 HydrophobicContact CG1-CG2 4.08Å; V200-T244 HydrophobicContact CG2-CG2 4.33Å; V240-T244 HydrophobicContact CG1-CG2 4.15Å; V240-T244 WeakPolarHBondContact O-CG2 3.27Å; V240-T244 PolarHBondContact O-N 3.34Å; V240-T244 PolarHBondContact O-OG1 2.94Å; V240-T244 VanDerWaalsContact O-OG1 3.05Å; A241-T244 PolarHBondContact O-OG1 3.19Å; T244-N247 PolarHBondContact O-N 3.36Å; T244-A248 PolarHBondContact O-N 3.48Å
245T98.7Very high97.3Very high9 Ų954.2 Ų54.26%0.05525%0.246CC..Hα-helixtrans-65.4-46.5173.6-57.80000111.5M1 F3 A241 R242 Q243 N247 A248 H249M1-T245 HydrophobicContact CG-CG2 4.12Å; M1-T245 HydrophobicContact SD-CG2 4.04Å; F3-T245 HydrophobicContact CB-CG2 4.21Å; F3-T245 PolarHBondContact N-OG1 3.32Å; A241-T245 VanDerWaalsContact O-CB 3.26Å; A241-T245 WeakPolarHBondContact O-CB 3.44Å; A241-T245 PolarHBondContact O-N 3.15Å; A241-T245 VanDerWaalsContact O-N 3.11Å; A241-T245 PolarHBondContact O-OG1 2.89Å; R242-T245 PolarHBondContact O-N 3.23Å; Q243-T245 VanDerWaalsContact C-N 3.29Å; Q243-T245 PolarHBondContact O-N 3.23Å; T245-N247 VanDerWaalsContact C-N 3.3Å; T245-N247 PolarHBondContact O-N 3.17Å; T245-A248 WeakPolarHBondContact O-CB 3.15Å; T245-A248 PolarHBondContact O-N 3.28Å; T245-H249 PolarHBondContact O-N 2.92Å
246E98.3Very high95.5Very high75 Ų7554.6 Ų54.635%0.3526%0.259SS..Hα-helixtrans-61.8-37.5176.5-76.8175.7-167.300112.5R242 Q243 H249 R250R242-E246 WeakPolarHBondContact CG-OE1 3.28Å; R242-E246 IonicContact CZ-OE1 2.86Å; R242-E246 IonicContact NH1-OE1 2.99Å; R242-E246 PolarHBondContact NH1-OE1 3.45Å; R242-E246 IonicContact NH1-OE2 2.77Å; R242-E246 PolarHBondContact NH1-OE2 2.92Å; R242-E246 WeakPolarHBondContact O-CG 3.35Å; R242-E246 PolarHBondContact O-N 2.93Å; Q243-E246 PolarHBondContact O-N 3.06Å; E246-H249 PolarHBondContact O-N 3.04Å; E246-R250 WeakPolarHBondContact O-CB 3.29Å; E246-R250 PolarHBondContact O-N 2.82Å
247N98.7Very high93.4Very high0 Ų056.7 Ų56.70%027%0.266CS..Hα-helixtrans-65.1-44.2174.5-66.7-21.4000111.3M195 D196 L198 L199 Q243 T244 T245 R250 L251M195-N247 PolarHBondContact O-ND2 3.05Å; D196-N247 WeakPolarHBondContact CA-OD1 3.38Å; D196-N247 PolarHBondContact O-OD1 2.85Å; L198-N247 PolarHBondContact O-ND2 3.13Å; L199-N247 HydrophobicContact CD2-CB 3.8Å; Q243-N247 WeakPolarHBondContact O-CB 3.01Å; Q243-N247 PolarHBondContact O-N 3.47Å; Q243-N247 PolarHBondContact O-ND2 3.38Å; Q243-N247 PolarHBondContact O-OD1 3.03Å; T244-N247 PolarHBondContact O-N 3.36Å; T245-N247 VanDerWaalsContact C-N 3.3Å; T245-N247 PolarHBondContact O-N 3.17Å; N247-R250 PolarHBondContact O-N 2.84Å; N247-R250 PolarHBondContact OD1-NH1 3.19Å; N247-L251 VanDerWaalsContact O-CB 3.31Å; N247-L251 WeakPolarHBondContact O-CB 3.48Å; N247-L251 PolarHBondContact O-N 3.12Å
248A98.7Very high90.4Very high1 Ų162.2 Ų62.21%0.00833%0.331CS..Hα-helixtrans-60-48.3175.600000110.7F3 L199 T244 T245 R250 L251 F252F3-A248 HydrophobicContact CB-CB 4.06Å; F3-A248 HydrophobicContact CD1-CB 3.83Å; F3-A248 HydrophobicContact CD2-CB 3.9Å; F3-A248 HydrophobicContact CE1-CB 4.3Å; F3-A248 HydrophobicContact CE2-CB 4.34Å; F3-A248 HydrophobicContact CG-CB 3.65Å; L199-A248 HydrophobicContact CD2-CB 3.94Å; T244-A248 PolarHBondContact O-N 3.48Å; T245-A248 WeakPolarHBondContact O-CB 3.15Å; T245-A248 PolarHBondContact O-N 3.28Å; A248-R250 PolarHBondContact O-N 2.95Å; A248-L251 PolarHBondContact O-N 2.68Å; A248-F252 HydrophobicContact CB-CD2 4.16Å; A248-F252 HydrophobicContact CB-CE2 4.24Å; A248-F252 WeakPolarHBondContact O-CB 3.46Å; A248-F252 WeakPolarHBondContact O-CD2 3.33Å; A248-F252 WeakPolarHBondContact O-CG 3.36Å; A248-F252 PolarHBondContact O-N 3.14Å
249H98.4Very high90Very high30 Ų3058.7 Ų58.714%0.13932%0.316CS..Hα-helixtrans-58.6-44.4176.5-73.1-178.6000112.8F3 E32 T245 E246 R253 I254F3-H249 AromaticContact CD2-CD2 3.99Å; E32-H249 IonicContact OE1-NE2 2.68Å; E32-H249 PolarHBondContact OE1-NE2 3.47Å; E32-H249 IonicContact OE2-CD2 3.28Å; E32-H249 IonicContact OE2-CE1 3.03Å; E32-H249 IonicContact OE2-NE2 2.83Å; E32-H249 PolarHBondContact OE2-NE2 3.28Å; T245-H249 PolarHBondContact O-N 2.92Å; E246-H249 PolarHBondContact O-N 3.04Å; H249-R253 CarbonylContact O-C 3.57Å; H249-R253 VanDerWaalsContact O-CA 3.29Å; H249-R253 WeakPolarHBondContact O-CA 3.45Å; H249-R253 PolarHBondContact O-N 3.16Å; H249-I254 PolarHBondContact O-N 3.4Å
250R97.9Very high89.5Confident146 Ų14658.5 Ų58.555%0.55132%0.318SS*.Hα-helixtrans-64.2-47.2178.8-172-174-58.9126.36.9111.5E246 N247 A248 R253E246-R250 WeakPolarHBondContact O-CB 3.29Å; E246-R250 PolarHBondContact O-N 2.82Å; N247-R250 PolarHBondContact O-N 2.84Å; N247-R250 PolarHBondContact OD1-NH1 3.19Å; A248-R250 PolarHBondContact O-N 2.95Å; R250-R253 PolarHBondContact O-N 2.67Å
251L98.3Very high89Confident16 Ų1661.8 Ų61.88%0.08434%0.335CS..Hα-helixtrans-67.5-49.9-177.7179.160000111.5P124 I151 H171 L199 N247 A248 R253P124-L251 HydrophobicContact CB-CD1 3.64Å; P124-L251 HydrophobicContact CB-CG 4.13Å; P124-L251 HydrophobicContact CG-CD1 4.34Å; P124-L251 HydrophobicContact CG-CG 4.45Å; I151-L251 HydrophobicContact CD1-CD2 3.77Å; I151-L251 HydrophobicContact CG1-CD2 3.34Å; H171-L251 HydrophobicContact CB-CD2 4.37Å; L199-L251 HydrophobicContact CD1-CD2 4.04Å; N247-L251 VanDerWaalsContact O-CB 3.31Å; N247-L251 WeakPolarHBondContact O-CB 3.48Å; N247-L251 PolarHBondContact O-N 3.12Å; A248-L251 PolarHBondContact O-N 2.68Å; L251-R253 PolarHBondContact O-N 3.41Å
252F98.1Very high88.4Confident8 Ų865.1 Ų65.14%0.03535%0.352CS..Hα-helixtrans-77.2-1.8178.9-64.8-33.9000113.7F3 A34 I59 V88 A89 P124 I151 A248 I254F3-F252 HydrophobicContact CE1-CD2 4.06Å; F3-F252 AromaticContact CE1-CE2 3.69Å; F3-F252 HydrophobicContact CE1-CE2 3.69Å; F3-F252 HydrophobicContact CE2-CD2 4.44Å; F3-F252 AromaticContact CZ-CD2 3.77Å; F3-F252 HydrophobicContact CZ-CD2 3.77Å; F3-F252 AromaticContact CZ-CE2 3.88Å; F3-F252 HydrophobicContact CZ-CE2 3.88Å; A34-F252 HydrophobicContact CB-CE2 4.21Å; A34-F252 HydrophobicContact CB-CZ 4.37Å; I59-F252 HydrophobicContact CD1-CE1 3.82Å; I59-F252 HydrophobicContact CD1-CZ 3.65Å; I59-F252 HydrophobicContact CG1-CE1 4.46Å; V88-F252 HydrophobicContact CB-CB 3.73Å; V88-F252 HydrophobicContact CB-CD1 4.06Å; V88-F252 HydrophobicContact CB-CG 4.01Å; V88-F252 HydrophobicContact CG1-CB 4.18Å; V88-F252 HydrophobicContact CG2-CB 3.95Å; V88-F252 HydrophobicContact CG2-CD1 3.64Å; V88-F252 HydrophobicContact CG2-CD2 4.22Å; V88-F252 HydrophobicContact CG2-CE1 4.17Å; V88-F252 HydrophobicContact CG2-CG 3.68Å; A89-F252 HydrophobicContact CB-CD1 4.2Å; A89-F252 HydrophobicContact CB-CE1 3.98Å; P124-F252 HydrophobicContact CG-CD1 4.48Å; I151-F252 HydrophobicContact CD1-CE1 3.64Å; I151-F252 HydrophobicContact CD1-CE2 4.47Å; I151-F252 HydrophobicContact CD1-CZ 3.39Å; A248-F252 HydrophobicContact CB-CD2 4.16Å; A248-F252 HydrophobicContact CB-CE2 4.24Å; A248-F252 WeakPolarHBondContact O-CB 3.46Å; A248-F252 WeakPolarHBondContact O-CD2 3.33Å; A248-F252 WeakPolarHBondContact O-CG 3.36Å; A248-F252 PolarHBondContact O-N 3.14Å; F252-I254 HydrophobicContact CB-CD1 3.65Å; F252-I254 HydrophobicContact CB-CG1 3.77Å; F252-I254 HydrophobicContact CD2-CD1 4.14Å; F252-I254 HydrophobicContact CG-CD1 4.38Å; F252-I254 PolarHBondContact O-N 3.33Å
253R96.1Very high87.8Confident130 Ų13063.1 Ų63.149%0.49135%0.351SS..THydrogen-bonded Turntrans55.134.7178.9-52.4173.4-174.41712.9112.1N122 H249 R250 L251N122-R253 PolarHBondContact ND2-NH1 3.17Å; N122-R253 PolarHBondContact O-NH1 3.2Å; N122-R253 PolarHBondContact O-NH2 3.31Å; N122-R253 PolarHBondContact OD1-NH2 2.68Å; H249-R253 CarbonylContact O-C 3.57Å; H249-R253 VanDerWaalsContact O-CA 3.29Å; H249-R253 WeakPolarHBondContact O-CA 3.45Å; H249-R253 PolarHBondContact O-N 3.16Å; R250-R253 PolarHBondContact O-N 2.67Å; L251-R253 PolarHBondContact O-N 3.41Å
254I95.1Very high87.1Confident20 Ų2064.9 Ų64.910%0.10336%0.364CS..PPolyproline II helixtrans-77.1124176.3-62.2165.2000106.9F3 Y57 V88 H249 F252 A256F3-I254 HydrophobicContact CE2-CD1 3.59Å; F3-I254 HydrophobicContact CZ-CD1 3.96Å; Y57-I254 HydrophobicContact CD1-CD1 3.95Å; Y57-I254 HydrophobicContact CD1-CG1 4.13Å; Y57-I254 HydrophobicContact CD2-CD1 3.8Å; Y57-I254 HydrophobicContact CE1-CD1 3.82Å; Y57-I254 HydrophobicContact CE1-CG1 3.79Å; Y57-I254 HydrophobicContact CE1-CG2 4.05Å; Y57-I254 HydrophobicContact CE2-CD1 3.67Å; Y57-I254 HydrophobicContact CE2-CG1 4.47Å; Y57-I254 HydrophobicContact CE2-CG2 4.46Å; Y57-I254 HydrophobicContact CG-CD1 3.94Å; Y57-I254 WeakPolarHBondContact OH-CG2 3.08Å; V88-I254 HydrophobicContact CG1-CD1 4.46Å; V88-I254 HydrophobicContact CG1-CG1 4.18Å; H249-I254 PolarHBondContact O-N 3.4Å; F252-I254 HydrophobicContact CB-CD1 3.65Å; F252-I254 HydrophobicContact CB-CG1 3.77Å; F252-I254 HydrophobicContact CD2-CD1 4.14Å; F252-I254 HydrophobicContact CG-CD1 4.38Å; F252-I254 PolarHBondContact O-N 3.33Å; I254-A256 PolarHBondContact O-N 3.47Å
255K81.5Confident86.3Confident190 Ų19069.4 Ų69.483%0.82639%0.389SS*.PPolyproline II helixtrans-71.4124.4172.3-66.7-176.5-179.1178.60107.5N257K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 VanDerWaalsContact O-N 3.16Å
256A59.6Low85.3Confident75 Ų7574 Ų7462%0.6241%0.414SS*.PPolyproline II helixtrans-55124.1167.300000107.9I254 G258I254-A256 PolarHBondContact O-N 3.47Å; A256-G258 VanDerWaalsContact C-N 3.31Å; A256-G258 PolarHBondContact O-N 3.08Å
257N53.9Low84.2Confident124 Ų12473.9 Ų73.966%0.66342%0.42SS*.  trans-60.8100.9166.3-77.4-13.7000106.4E54 K255E54-N257 PolarHBondContact OE1-ND2 2.97Å; K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 VanDerWaalsContact O-N 3.16Å
258G34.4Very low82.9Confident147 Ų14780.6 Ų80.6100%1.51546%0.458SS*.  trans-75.30173.300000111.6A256A256-G258 VanDerWaalsContact C-N 3.31Å; A256-G258 PolarHBondContact O-N 3.08Å

Retrieved 258 of 258 residues in 58.5 ms (Link to these results)

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