A0A077YZI3_TRITR Loading...

Calponin like protein

AlphaFold DB , UniProt , Accession A0A077YZI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 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
1M44.1Very low43.4Very low244 Ų244154.1 Ų154.1100%1.20276%0.758SS**  0119.70-71.8175.9-143.800107.2
2T39.4Very low43.6Very low136 Ų136149.7 Ų149.783%0.83474%0.74SS**  trans-64.7131.4-166.9-54.50000111.3I4T2-I4 PolarHBondContact O-N 2.7Å
3N37.8Very low44Very low134 Ų134147.3 Ų147.372%0.71773%0.73SS**  trans-59.8104.2174.9-172-29.5000108.8R5N3-R5 VanDerWaalsContact C-N 3.26Å; N3-R5 PolarHBondContact O-N 3.47Å
4I43.2Very low44.3Very low150 Ų150146 Ų14677%0.76973%0.726SS**  trans-69.690.8173-61.8170.7000105.7T2 H6T2-I4 PolarHBondContact O-N 2.7Å; I4-H6 PolarHBondContact O-N 2.95Å; I4-H6 VanDerWaalsContact O-N 3.1Å
5R45.8Very low44.5Very low219 Ų219138.6 Ų138.683%0.82670%0.702SS**  trans-57.6117.6169.3-68.7-172.3-180-174.2-0106.7N3 F7N3-R5 VanDerWaalsContact C-N 3.26Å; N3-R5 PolarHBondContact O-N 3.47Å; R5-F7 PolarHBondContact O-N 2.83Å; R5-F7 VanDerWaalsContact O-N 3.1Å
6H42.7Very low44.7Very low174 Ų174138.6 Ų138.681%0.80670%0.698SS**  trans-45.3118.5171.9-96.851.3000108.6I4 E8I4-H6 PolarHBondContact O-N 2.95Å; I4-H6 VanDerWaalsContact O-N 3.1Å; H6-E8 PolarHBondContact O-N 3.05Å
7F43Very low45Very low199 Ų199134.4 Ų134.487%0.87369%0.689SS**  trans-75.582.7172.3-153.5-89.9000105.5R5 S9R5-F7 PolarHBondContact O-N 2.83Å; R5-F7 VanDerWaalsContact O-N 3.1Å; F7-S9 PolarHBondContact O-N 3.3Å; F7-S9 VanDerWaalsContact O-N 3.09Å
8E39.5Very low46Very low168 Ų168131.4 Ų131.479%0.78568%0.683SS**  trans-54.1119170-76.5-179.8155.700107.3H6 A10H6-E8 PolarHBondContact O-N 3.05Å; E8-A10 PolarHBondContact O-N 3.35Å
9S45.7Very low48Very low42 Ų42131.8 Ų131.829%0.29468%0.679SS.*  trans-70.1131-162.885.30000109.2F7 F11 D12F7-S9 PolarHBondContact O-N 3.3Å; F7-S9 VanDerWaalsContact O-N 3.09Å; S9-F11 PolarHBondContact O-N 2.68Å; S9-D12 PolarHBondContact O-N 2.79Å; S9-D12 PolarHBondContact OG-OD2 2.94Å
10A52.2Low50.1Low59 Ų59127.2 Ų127.249%0.48865%0.653SS.*Hα-helixtrans-57-16.7176.100000112.9E8 I13 L14E8-A10 PolarHBondContact O-N 3.35Å; A10-I13 PolarHBondContact O-N 2.76Å; A10-L14 WeakPolarHBondContact O-CG 3.32Å; A10-L14 PolarHBondContact O-N 3.33Å; A10-L14 VanDerWaalsContact O-N 3.08Å
11F44Very low52.1Low170 Ų170124.6 Ų124.675%0.74664%0.641SS**Hα-helixtrans-66.9-36.6173.1-83.5-85.3000113S9 I13 L14 G15S9-F11 PolarHBondContact O-N 2.68Å; F11-I13 VanDerWaalsContact C-N 3.27Å; F11-I13 PolarHBondContact O-N 3.41Å; F11-L14 PolarHBondContact O-N 3.15Å; F11-G15 PolarHBondContact O-N 3.45Å
12D45.7Very low54.5Low101 Ų101117.1 Ų117.154%0.5461%0.605SS.*Hα-helixtrans-70.8-27.9175.4-63-50.2000111.6S9 Q16S9-D12 PolarHBondContact O-N 2.79Å; S9-D12 PolarHBondContact OG-OD2 2.94Å; D12-Q16 WeakPolarHBondContact O-CG 3.41Å; D12-Q16 PolarHBondContact O-N 3.42Å; D12-Q16 PolarHBondContact O-NE2 3.48Å
13I48.6Very low57.1Low119 Ų119113.4 Ų113.461%0.6159%0.589SS**Hα-helixtrans-73-41.3175.9-55.2178.8000110.5A10 F11A10-I13 PolarHBondContact O-N 2.76Å; F11-I13 VanDerWaalsContact C-N 3.27Å; F11-I13 PolarHBondContact O-N 3.41Å
14L47.9Very low59.7Low129 Ų129110.4 Ų110.468%0.67557%0.57SS**Hα-helixtrans-73.6-37.9177.6-66.8175.5000112.4A10 F11 Q16 A17A10-L14 WeakPolarHBondContact O-CG 3.32Å; A10-L14 PolarHBondContact O-N 3.33Å; A10-L14 VanDerWaalsContact O-N 3.08Å; F11-L14 PolarHBondContact O-N 3.15Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 2.87Å
15G47.5Very low62.2Low35 Ų35103.2 Ų103.236%0.36153%0.534SS..Hα-helixtrans-72.3-16-179.700000114.8F11 K19F11-G15 PolarHBondContact O-N 3.45Å; G15-K19 WeakPolarHBondContact O-CE 3.3Å
16Q47.5Very low64.6Low139 Ų13996.6 Ų96.665%0.6551%0.512SS*.Hα-helixtrans-81.7-22.2175.2-89.6176.989.800113.6D12 L14 S18D12-Q16 WeakPolarHBondContact O-CG 3.41Å; D12-Q16 PolarHBondContact O-N 3.42Å; D12-Q16 PolarHBondContact O-NE2 3.48Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 3.49Å; Q16-S18 PolarHBondContact O-N 3.3Å
17A50.8Low67.1Low66 Ų6692.3 Ų92.355%0.54549%0.492SS..THydrogen-bonded Turntrans-66.8-7.2-170.400000115.2L14 Y117L14-A17 PolarHBondContact O-N 2.87Å; A17-Y117 PolarHBondContact O-OH 3.14Å; A17-Y117 VanDerWaalsContact O-OH 3.06Å
18S63.4Low69.6Low81 Ų8182.8 Ų82.857%0.56645%0.451SS*.THydrogen-bonded Turntrans-135.236.8-171.345.80000113.3Q16Q16-S18 PolarHBondContact O-N 3.3Å
19K83Confident72.4Confident140 Ų14074.8 Ų74.861%0.60941%0.413SS*.SBendtrans-122.3147.5176.9-65.4-178-177.2174.30110.9G15 N21 Y117G15-K19 WeakPolarHBondContact O-CE 3.3Å; K19-N21 PolarHBondContact O-N 3.37Å; K19-Y117 WeakPolarHBondContact O-CD2 3.48Å
20F90.3Very high74.8Confident39 Ų3975.5 Ų75.517%0.17141%0.412CS..  trans-54131.4167.7179.3-94.5000109.6D22 A25 R46 F49 L116F20-D22 WeakPolarHBondContact CD1-OD1 3.45Å; F20-D22 VanDerWaalsContact CE1-OD1 3.31Å; F20-D22 WeakPolarHBondContact CE1-OD1 3.37Å; F20-A25 HydrophobicContact CE1-CB 4.13Å; F20-A25 HydrophobicContact CE2-CB 3.85Å; F20-A25 HydrophobicContact CZ-CB 3.39Å; F20-R46 HydrophobicContact CD1-CB 4.27Å; F20-R46 HydrophobicContact CD1-CG 4.5Å; F20-R46 HydrophobicContact CE1-CB 3.93Å; F20-R46 HydrophobicContact CE1-CG 4.41Å; F20-F49 HydrophobicContact CE2-CB 4.29Å; F20-F49 AromaticContact CE2-CD1 3.69Å; F20-F49 HydrophobicContact CE2-CD1 3.69Å; F20-F49 HydrophobicContact CE2-CD2 4.42Å; F20-F49 HydrophobicContact CE2-CE1 4.03Å; F20-F49 AromaticContact CE2-CG 3.89Å; F20-F49 HydrophobicContact CE2-CG 3.89Å; F20-F49 HydrophobicContact CZ-CB 3.87Å; F20-F49 HydrophobicContact CZ-CD1 4.16Å; F20-F49 HydrophobicContact CZ-CD2 4.42Å; F20-F49 AromaticContact CZ-CG 3.92Å; F20-F49 HydrophobicContact CZ-CG 3.92Å; F20-L116 HydrophobicContact CB-CB 4.43Å; F20-L116 HydrophobicContact CD2-CB 3.44Å; F20-L116 VanDerWaalsContact CD2-CB 3.44Å; F20-L116 HydrophobicContact CD2-CD1 4.05Å; F20-L116 HydrophobicContact CD2-CG 4.45Å; F20-L116 HydrophobicContact CE2-CB 4.01Å; F20-L116 HydrophobicContact CE2-CD1 4.12Å; F20-L116 HydrophobicContact CG-CB 4.21Å
21N92.4Very high76.8Confident73 Ų7372.8 Ų72.839%0.3939%0.389SS..  trans-119.2118-177.5-176.7-41.4000109.8K19 A23 E24 A25K19-N21 PolarHBondContact O-N 3.37Å; N21-A23 VanDerWaalsContact C-N 3.27Å; N21-A23 PolarHBondContact O-N 3.13Å; N21-A23 WeakPolarHBondContact OD1-CB 3.37Å; N21-A23 PolarHBondContact OD1-N 3.03Å; N21-E24 HydrophobicContact CB-CB 4.17Å; N21-E24 HydrophobicContact CB-CG 4Å; N21-E24 PolarHBondContact O-N 3.48Å; N21-E24 PolarHBondContact OD1-N 3.19Å; N21-A25 WeakPolarHBondContact O-CB 3.42Å; N21-A25 PolarHBondContact O-N 3.05Å
22D94.3Very high79.3Confident86 Ų8664.7 Ų64.746%0.4635%0.354SS..Hα-helixtrans-62.5-32-176.1-63.312.9000112.6F20 A25 H26 G44F20-D22 WeakPolarHBondContact CD1-OD1 3.45Å; F20-D22 VanDerWaalsContact CE1-OD1 3.31Å; F20-D22 WeakPolarHBondContact CE1-OD1 3.37Å; D22-A25 PolarHBondContact O-N 3.21Å; D22-H26 WeakPolarHBondContact O-CB 3.47Å; D22-H26 PolarHBondContact O-N 3.38Å; D22-G44 WeakPolarHBondContact CA-O 3.33Å; D22-G44 WeakPolarHBondContact O-CA 3.48Å
23A92.9Very high81.7Confident59 Ų5962.8 Ų62.849%0.48834%0.34SS..Hα-helixtrans-70-43.117700000111.6N21 A25 H26 E27N21-A23 VanDerWaalsContact C-N 3.27Å; N21-A23 PolarHBondContact O-N 3.13Å; N21-A23 WeakPolarHBondContact OD1-CB 3.37Å; N21-A23 PolarHBondContact OD1-N 3.03Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-H26 PolarHBondContact O-N 3.37Å; A23-E27 PolarHBondContact O-N 3.25Å
24E92.9Very high83.7Confident70 Ų7058.7 Ų58.733%0.32732%0.324SS..Hα-helixtrans-64.3-40.7174.4-65.1-177158.800111.1N21 H26 E27 I28 L124N21-E24 HydrophobicContact CB-CB 4.17Å; N21-E24 HydrophobicContact CB-CG 4Å; N21-E24 PolarHBondContact O-N 3.48Å; N21-E24 PolarHBondContact OD1-N 3.19Å; E24-H26 PolarHBondContact O-N 3.19Å; E24-E27 PolarHBondContact O-N 3.23Å; E24-I28 WeakPolarHBondContact O-CB 3.3Å; E24-I28 WeakPolarHBondContact O-CD1 3.37Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 2.82Å; E24-L124 HydrophobicContact CB-CD1 4.41Å
25A96.2Very high85.9Confident0 Ų053.5 Ų53.50%030%0.298CS..Hα-helixtrans-61.7-41.9175.900000112.1F20 N21 D22 A23 I28 L29 G44 F49F20-A25 HydrophobicContact CE1-CB 4.13Å; F20-A25 HydrophobicContact CE2-CB 3.85Å; F20-A25 HydrophobicContact CZ-CB 3.39Å; N21-A25 WeakPolarHBondContact O-CB 3.42Å; N21-A25 PolarHBondContact O-N 3.05Å; D22-A25 PolarHBondContact O-N 3.21Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A25-I28 PolarHBondContact O-N 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 2.9Å; A25-G44 VanDerWaalsContact CB-O 3.24Å; A25-G44 WeakPolarHBondContact CB-O 3.47Å; A25-F49 HydrophobicContact CB-CD2 3.72Å; A25-F49 HydrophobicContact CB-CE2 4Å; A25-F49 HydrophobicContact CB-CG 4.36Å
26H96Very high88.2Confident79 Ų7952.1 Ų52.137%0.36628%0.282SS..Hα-helixtrans-59.7-48.5173.5175.568.2000111.6D22 A23 E24 I28 L29 E30 T42D22-H26 WeakPolarHBondContact O-CB 3.47Å; D22-H26 PolarHBondContact O-N 3.38Å; A23-H26 PolarHBondContact O-N 3.37Å; E24-H26 PolarHBondContact O-N 3.19Å; H26-I28 VanDerWaalsContact C-N 3.3Å; H26-I28 PolarHBondContact O-N 3.36Å; H26-L29 PolarHBondContact O-N 3.26Å; H26-L29 VanDerWaalsContact O-N 3.16Å; H26-E30 IonicContact CE1-OE1 3.75Å; H26-E30 PolarHBondContact O-N 2.87Å; H26-T42 PolarHBondContact ND1-O 3.42Å
27E94.6Very high90.4Very high84 Ų8451.9 Ų51.939%0.39329%0.286SS..Hα-helixtrans-60-40.5177.5-72.2-175.6-173.400112.3A23 E24 W31A23-E27 PolarHBondContact O-N 3.25Å; E24-E27 PolarHBondContact O-N 3.23Å; E27-W31 WeakPolarHBondContact O-CB 3.4Å; E27-W31 PolarHBondContact O-N 3.42Å
28I96.8Very high92.5Very high0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-62-46.9174.6-70.3161.8000110.7E24 A25 H26 W31 I32 F49 C120 L123 L124 I138E24-I28 WeakPolarHBondContact O-CB 3.3Å; E24-I28 WeakPolarHBondContact O-CD1 3.37Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 2.82Å; A25-I28 PolarHBondContact O-N 3.23Å; H26-I28 VanDerWaalsContact C-N 3.3Å; H26-I28 PolarHBondContact O-N 3.36Å; I28-W31 WeakPolarHBondContact O-CB 3.42Å; I28-W31 PolarHBondContact O-N 3.5Å; I28-I32 HydrophobicContact CG2-CD1 3.83Å; I28-I32 HydrophobicContact CG2-CG1 4.36Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.49Å; I28-I32 PolarHBondContact O-N 3Å; I28-F49 HydrophobicContact CB-CE2 4.31Å; I28-F49 HydrophobicContact CD1-CE2 4.49Å; I28-F49 HydrophobicContact CG2-CE2 3.93Å; I28-F49 HydrophobicContact CG2-CZ 4.34Å; I28-C120 HydrophobicContact CD1-CB 3.77Å; I28-L123 HydrophobicContact CD1-CB 4.18Å; I28-L123 HydrophobicContact CG1-CB 4.26Å; I28-L123 HydrophobicContact CG2-CB 3.86Å; I28-L123 HydrophobicContact CG2-CD1 3.64Å; I28-L123 HydrophobicContact CG2-CG 4.24Å; I28-L124 HydrophobicContact CD1-CD1 4.48Å; I28-L124 HydrophobicContact CD1-CD2 4.27Å; I28-L124 HydrophobicContact CD1-CG 3.95Å; I28-L124 HydrophobicContact CG1-CD2 3.95Å; I28-L124 HydrophobicContact CG1-CG 4.11Å; I28-I138 HydrophobicContact CG1-CD1 4.03Å
29L97.8Very high94Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-67.4-39.9-178.5-69.3176.8000112.1A25 H26 W31 I32 K33 I40 T42 D43 F49 L52A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 2.9Å; H26-L29 PolarHBondContact O-N 3.26Å; H26-L29 VanDerWaalsContact O-N 3.16Å; L29-W31 VanDerWaalsContact C-N 3.26Å; L29-W31 PolarHBondContact O-N 3.42Å; L29-I32 PolarHBondContact O-N 3.17Å; L29-K33 VanDerWaalsContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.38Å; L29-K33 PolarHBondContact O-N 3.46Å; L29-I40 HydrophobicContact CD2-CD1 4.36Å; L29-T42 HydrophobicContact CB-CG2 4.15Å; L29-D43 VanDerWaalsContact CD1-O 3.27Å; L29-D43 WeakPolarHBondContact CD1-O 3.49Å; L29-F49 HydrophobicContact CD1-CD2 4.08Å; L29-F49 HydrophobicContact CD2-CD2 4.01Å; L29-F49 HydrophobicContact CD2-CE2 4.32Å; L29-F49 HydrophobicContact CG-CD2 3.91Å; L29-F49 HydrophobicContact CG-CE2 4.3Å; L29-L52 HydrophobicContact CD1-CD1 4.13Å; L29-L52 HydrophobicContact CD2-CD1 3.93Å
30E95.2Very high94.7Very high57 Ų5750.5 Ų50.527%0.26626%0.261SS..Hα-helixtrans-58.6-41170.7-77.7-64156.900111.2H26 K33 A34 T42 F143H26-E30 IonicContact CE1-OE1 3.75Å; H26-E30 PolarHBondContact O-N 2.87Å; E30-K33 WeakPolarHBondContact O-CB 3.35Å; E30-K33 PolarHBondContact O-N 3.06Å; E30-A34 WeakPolarHBondContact O-CB 3.46Å; E30-A34 PolarHBondContact O-N 3.42Å; E30-T42 HydrophobicContact CG-CG2 4.1Å; E30-T42 WeakPolarHBondContact OE1-CB 3.47Å; E30-T42 WeakPolarHBondContact OE1-CG2 3.49Å; E30-T42 PolarHBondContact OE1-OG1 3.05Å; E30-F143 HydrophobicContact CB-CE2 4.18Å; E30-F143 HydrophobicContact CB-CZ 3.71Å
31W94.6Very high95Very high2 Ų253.2 Ų53.21%0.00828%0.278CS..Hα-helixtrans-66.4-46.6178.2170.164.5000110.9E27 I28 L29 K33 A34 V35 L62 I66 L123 L126 M130 P136 G137 I138 F143E27-W31 WeakPolarHBondContact O-CB 3.4Å; E27-W31 PolarHBondContact O-N 3.42Å; I28-W31 WeakPolarHBondContact O-CB 3.42Å; I28-W31 PolarHBondContact O-N 3.5Å; L29-W31 VanDerWaalsContact C-N 3.26Å; L29-W31 PolarHBondContact O-N 3.42Å; W31-K33 VanDerWaalsContact C-N 3.33Å; W31-K33 PolarHBondContact O-N 3.07Å; W31-A34 PolarHBondContact O-N 2.84Å; W31-V35 HydrophobicContact CG-CG2 4.37Å; W31-V35 VanDerWaalsContact NE1-CG2 3.3Å; W31-V35 VanDerWaalsContact O-CG2 3.29Å; W31-V35 WeakPolarHBondContact O-CG2 3.46Å; W31-V35 PolarHBondContact O-N 3.08Å; W31-L62 HydrophobicContact CH2-CD1 4.11Å; W31-L62 HydrophobicContact CH2-CD2 3.86Å; W31-L62 HydrophobicContact CH2-CG 4.38Å; W31-L62 HydrophobicContact CZ2-CD1 4.2Å; W31-L62 HydrophobicContact CZ3-CD1 4.36Å; W31-L62 HydrophobicContact CZ3-CD2 3.77Å; W31-I66 HydrophobicContact CH2-CD1 4.38Å; W31-I66 HydrophobicContact CZ2-CD1 4.18Å; W31-L123 HydrophobicContact CZ3-CD2 4.17Å; W31-L126 HydrophobicContact CH2-CB 4.17Å; W31-L126 HydrophobicContact CH2-CD2 3.92Å; W31-L126 HydrophobicContact CH2-CG 3.83Å; W31-M130 HydrophobicContact CZ2-CG 4.38Å; W31-P136 PolarHBondContact NE1-O 2.95Å; W31-G137 VanDerWaalsContact NE1-CA 3.33Å; W31-I138 HydrophobicContact CB-CD1 4.02Å; W31-I138 HydrophobicContact CB-CG1 3.69Å; W31-I138 HydrophobicContact CD2-CD1 3.87Å; W31-I138 HydrophobicContact CD2-CG1 3.69Å; W31-I138 HydrophobicContact CE3-CD1 3.66Å; W31-I138 HydrophobicContact CE3-CG1 4.04Å; W31-I138 HydrophobicContact CG-CD1 4.04Å; W31-I138 HydrophobicContact CG-CG1 3.51Å; W31-I138 HydrophobicContact CZ3-CD1 4.38Å; W31-F143 HydrophobicContact CB-CE1 4.31Å; W31-F143 HydrophobicContact CB-CZ 3.99Å
32I96.8Very high95.3Very high0 Ų050.5 Ų50.50%026%0.264CS..Hα-helixtrans-57.5-47.2175.6-68.4174.9000110.5I28 L29 A34 V35 T36 I40 L53 L58 L62 L123I28-I32 HydrophobicContact CG2-CD1 3.83Å; I28-I32 HydrophobicContact CG2-CG1 4.36Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.49Å; I28-I32 PolarHBondContact O-N 3Å; L29-I32 PolarHBondContact O-N 3.17Å; I32-A34 PolarHBondContact O-N 2.76Å; I32-V35 PolarHBondContact O-N 3.07Å; I32-T36 HydrophobicContact CG2-CG2 4.13Å; I32-T36 VanDerWaalsContact O-CB 3.3Å; I32-T36 WeakPolarHBondContact O-CB 3.34Å; I32-T36 WeakPolarHBondContact O-CG2 3.23Å; I32-T36 PolarHBondContact O-N 3.4Å; I32-T36 PolarHBondContact O-OG1 3.21Å; I32-I40 HydrophobicContact CB-CD1 4.38Å; I32-I40 HydrophobicContact CG2-CD1 4.03Å; I32-L53 HydrophobicContact CD1-CD1 4.46Å; I32-L53 HydrophobicContact CD1-CD2 3.91Å; I32-L58 HydrophobicContact CG2-CD1 3.92Å; I32-L58 HydrophobicContact CG2-CD2 3.96Å; I32-L58 HydrophobicContact CG2-CG 3.8Å; I32-L62 HydrophobicContact CD1-CD2 4.42Å; I32-L62 HydrophobicContact CG1-CD1 4.34Å; I32-L62 HydrophobicContact CG1-CD2 4Å; I32-L123 HydrophobicContact CD1-CD1 4.46Å; I32-L123 HydrophobicContact CD1-CD2 4.37Å
33K95.9Very high95.5Very high61 Ų6150.1 Ų50.127%0.26526%0.262SS..Hα-helixtrans-55-50.4176.1171165.8-175.6-179.30111.8L29 E30 W31 N37 E38 I40 T42L29-K33 VanDerWaalsContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.38Å; L29-K33 PolarHBondContact O-N 3.46Å; E30-K33 WeakPolarHBondContact O-CB 3.35Å; E30-K33 PolarHBondContact O-N 3.06Å; W31-K33 VanDerWaalsContact C-N 3.33Å; W31-K33 PolarHBondContact O-N 3.07Å; K33-N37 VanDerWaalsContact O-CA 3.25Å; K33-N37 WeakPolarHBondContact O-CA 3.41Å; K33-N37 PolarHBondContact O-N 3.38Å; K33-E38 WeakPolarHBondContact CG-O 3.24Å; K33-E38 PolarHBondContact O-N 3.03Å; K33-I40 HydrophobicContact CB-CD1 4.14Å; K33-I40 HydrophobicContact CB-CG1 3.91Å; K33-I40 HydrophobicContact CD-CG1 4.46Å; K33-T42 HydrophobicContact CB-CG2 4.1Å; K33-T42 HydrophobicContact CD-CG2 3.56Å
34A92Very high95.6Very high32 Ų3247.5 Ų47.526%0.26424%0.241SC..Hα-helixtrans-65.2-40.6-178.900000113E30 W31 I32 F143E30-A34 WeakPolarHBondContact O-CB 3.46Å; E30-A34 PolarHBondContact O-N 3.42Å; W31-A34 PolarHBondContact O-N 2.84Å; I32-A34 PolarHBondContact O-N 2.76Å; A34-F143 HydrophobicContact CB-CD1 4.26Å; A34-F143 HydrophobicContact CB-CE1 3.74Å
35V93.4Very high95.8Very high21 Ų2146.4 Ų46.413%0.12724%0.237CC..Hα-helixtrans-76-38.5-178.5178.50000112.1W31 I32 L62 S65 I66 P136W31-V35 HydrophobicContact CG-CG2 4.37Å; W31-V35 VanDerWaalsContact NE1-CG2 3.3Å; W31-V35 VanDerWaalsContact O-CG2 3.29Å; W31-V35 WeakPolarHBondContact O-CG2 3.46Å; W31-V35 PolarHBondContact O-N 3.08Å; I32-V35 PolarHBondContact O-N 3.07Å; V35-L62 HydrophobicContact CB-CD1 3.89Å; V35-L62 HydrophobicContact CG1-CD1 3.79Å; V35-L62 HydrophobicContact CG2-CD1 4.48Å; V35-S65 VanDerWaalsContact O-CB 3.27Å; V35-S65 WeakPolarHBondContact O-CB 3.43Å; V35-S65 PolarHBondContact O-OG 3.3Å; V35-I66 HydrophobicContact CG1-CG1 4.01Å; V35-P136 HydrophobicContact CG2-CB 3.66Å
36T95.2Very high95.8Very high6 Ų651.6 Ų51.64%0.03726%0.257CS..Hα-helixtrans-86.7-15.7-177.8620000113.5I32 E38 L58 K61 L62I32-T36 HydrophobicContact CG2-CG2 4.13Å; I32-T36 VanDerWaalsContact O-CB 3.3Å; I32-T36 WeakPolarHBondContact O-CB 3.34Å; I32-T36 WeakPolarHBondContact O-CG2 3.23Å; I32-T36 PolarHBondContact O-N 3.4Å; I32-T36 PolarHBondContact O-OG1 3.21Å; T36-E38 PolarHBondContact O-N 3.04Å; T36-E38 WeakPolarHBondContact OG1-CB 3.44Å; T36-E38 WeakPolarHBondContact OG1-CG 3.44Å; T36-E38 PolarHBondContact OG1-N 3.31Å; T36-L58 HydrophobicContact CG2-CD1 4.36Å; T36-K61 HydrophobicContact CG2-CB 4.44Å; T36-K61 HydrophobicContact CG2-CG 4.09Å; T36-K61 VanDerWaalsContact O-CE 3.27Å; T36-K61 WeakPolarHBondContact O-CE 3.45Å; T36-L62 HydrophobicContact CG2-CB 4.01Å; T36-L62 HydrophobicContact CG2-CD1 4.35Å
37N94.2Very high95.8Very high134 Ų13453.8 Ų53.872%0.71727%0.271SS*.THydrogen-bonded Turntrans53.432.4-168.6-162.248.6000112.3K33K33-N37 VanDerWaalsContact O-CA 3.25Å; K33-N37 WeakPolarHBondContact O-CA 3.41Å; K33-N37 PolarHBondContact O-N 3.38Å
38E94.2Very high96Very high69 Ų6950.3 Ų50.332%0.32226%0.255SS..  trans-89.7140.3176.2-74.7-75.5-175.400111K33 T36 I40 L58 K61K33-E38 WeakPolarHBondContact CG-O 3.24Å; K33-E38 PolarHBondContact O-N 3.03Å; T36-E38 PolarHBondContact O-N 3.04Å; T36-E38 WeakPolarHBondContact OG1-CB 3.44Å; T36-E38 WeakPolarHBondContact OG1-CG 3.44Å; T36-E38 PolarHBondContact OG1-N 3.31Å; E38-I40 VanDerWaalsContact C-N 3.27Å; E38-I40 HydrophobicContact CB-CG2 3.98Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-L58 HydrophobicContact CB-CD1 4.36Å; E38-L58 HydrophobicContact CG-CD1 3.96Å; E38-K61 HydrophobicContact CG-CD 3.81Å; E38-K61 WeakPolarHBondContact OE1-CD 3.22Å; E38-K61 VanDerWaalsContact OE1-CE 3.29Å; E38-K61 WeakPolarHBondContact OE1-CE 3.36Å; E38-K61 IonicContact OE1-NZ 3.85Å; E38-K61 PolarHBondContact OE1-NZ 3.1Å
39Q95.4Very high96Very high165 Ų16550.3 Ų50.377%0.77126%0.255SS*.  trans-87.670.4176.6-63.6-70.860.300110.5
40I97.2Very high96.1Very high23 Ų2351 Ų5112%0.11826%0.26CS..  trans-92.3156.6175.363.3179000111.9L29 I32 K33 E38 T42 L52 L58L29-I40 HydrophobicContact CD2-CD1 4.36Å; I32-I40 HydrophobicContact CB-CD1 4.38Å; I32-I40 HydrophobicContact CG2-CD1 4.03Å; K33-I40 HydrophobicContact CB-CD1 4.14Å; K33-I40 HydrophobicContact CB-CG1 3.91Å; K33-I40 HydrophobicContact CD-CG1 4.46Å; E38-I40 VanDerWaalsContact C-N 3.27Å; E38-I40 HydrophobicContact CB-CG2 3.98Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-T42 HydrophobicContact CG1-CG2 4.29Å; I40-L52 HydrophobicContact CB-CD1 4.25Å; I40-L52 HydrophobicContact CB-CD2 4.08Å; I40-L52 HydrophobicContact CG2-CD2 4.02Å; I40-L58 HydrophobicContact CD1-CD2 3.99Å; I40-L58 HydrophobicContact CG2-CD2 4.03Å
41D98.1Very high96.2Very high96 Ų9656.3 Ų56.351%0.51328%0.282SS..  trans-74.6121.5166.4-174.6-4.1000109.2D43 N48 L52D41-D43 WeakPolarHBondContact OD1-CB 3.37Å; D41-D43 PolarHBondContact OD1-N 3.34Å; D41-N48 PolarHBondContact O-ND2 2.99Å; D41-L52 WeakPolarHBondContact O-CD1 3.29Å
42T97.7Very high96.4Very high16 Ų1657.7 Ų57.710%0.09829%0.289CS..  trans-93.96.7-175.551.90000113.1H26 L29 E30 K33 I40 G44H26-T42 PolarHBondContact ND1-O 3.42Å; L29-T42 HydrophobicContact CB-CG2 4.15Å; E30-T42 HydrophobicContact CG-CG2 4.1Å; E30-T42 WeakPolarHBondContact OE1-CB 3.47Å; E30-T42 WeakPolarHBondContact OE1-CG2 3.49Å; E30-T42 PolarHBondContact OE1-OG1 3.05Å; K33-T42 HydrophobicContact CB-CG2 4.1Å; K33-T42 HydrophobicContact CD-CG2 3.56Å; I40-T42 HydrophobicContact CG1-CG2 4.29Å; T42-G44 PolarHBondContact O-N 3.44Å; T42-G44 VanDerWaalsContact O-N 3.15Å
43D97.8Very high96.5Very high79 Ų7957.7 Ų57.742%0.42229%0.289SS..  trans-52.7121.4171.7-173.8-17.7000110.9L29 D41 N45 N48L29-D43 VanDerWaalsContact CD1-O 3.27Å; L29-D43 WeakPolarHBondContact CD1-O 3.49Å; D41-D43 WeakPolarHBondContact OD1-CB 3.37Å; D41-D43 PolarHBondContact OD1-N 3.34Å; D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact OD1-N 3.34Å; D43-N45 PolarHBondContact OD1-ND2 2.94Å; D43-N45 VanDerWaalsContact OD1-ND2 3.16Å; D43-N45 PolarHBondContact OD2-ND2 3.25Å; D43-N48 PolarHBondContact O-ND2 2.6Å
44G95.6Very high96.6Very high4 Ų458.7 Ų58.74%0.04129%0.293CS..  trans-76.30.4-175.200000115D22 A25 T42D22-G44 WeakPolarHBondContact CA-O 3.33Å; D22-G44 WeakPolarHBondContact O-CA 3.48Å; A25-G44 VanDerWaalsContact CB-O 3.24Å; A25-G44 WeakPolarHBondContact CB-O 3.47Å; T42-G44 PolarHBondContact O-N 3.44Å; T42-G44 VanDerWaalsContact O-N 3.15Å
45N96.8Very high96.9Very high47 Ų4759.5 Ų59.525%0.25129%0.293SS..SBendtrans-58.5150.5177.980.170.5000112D43 D47 N48 F49D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact OD1-N 3.34Å; D43-N45 PolarHBondContact OD1-ND2 2.94Å; D43-N45 VanDerWaalsContact OD1-ND2 3.16Å; D43-N45 PolarHBondContact OD2-ND2 3.25Å; N45-D47 VanDerWaalsContact C-N 3.34Å; N45-D47 PolarHBondContact O-N 3.08Å; N45-D47 PolarHBondContact OD1-N 3.05Å; N45-D47 VanDerWaalsContact OD1-N 3.13Å; N45-N48 PolarHBondContact O-N 3.29Å; N45-N48 PolarHBondContact OD1-N 2.85Å; N45-F49 PolarHBondContact O-N 3.3Å
46R95.7Very high97.2Very high109 Ų10958.5 Ų58.541%0.41129%0.287SS..Hα-helixtrans-54.5-44.8-174.3-171.6176.1-178.7164.6-1.2114F20 F49 V50 N113 L116F20-R46 HydrophobicContact CD1-CB 4.27Å; F20-R46 HydrophobicContact CD1-CG 4.5Å; F20-R46 HydrophobicContact CE1-CB 3.93Å; F20-R46 HydrophobicContact CE1-CG 4.41Å; R46-F49 PolarHBondContact O-N 3.41Å; R46-V50 VanDerWaalsContact O-CG2 3.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.46Å; R46-V50 PolarHBondContact O-N 2.96Å; R46-N113 PolarHBondContact NE-ND2 3.16Å; R46-N113 PolarHBondContact NE-OD1 3.35Å; R46-N113 PolarHBondContact NH2-O 2.93Å; R46-N113 PolarHBondContact NH2-OD1 2.92Å; R46-L116 HydrophobicContact CG-CD1 3.49Å; R46-L116 VanDerWaalsContact CG-CD1 3.49Å
47D96.9Very high97.4Very high124 Ų12460.5 Ų60.566%0.66330%0.299SS*.Hα-helixtrans-70.4-39.7-174.2-70.8-30.2000111.6N45 K51N45-D47 VanDerWaalsContact C-N 3.34Å; N45-D47 PolarHBondContact O-N 3.08Å; N45-D47 PolarHBondContact OD1-N 3.05Å; N45-D47 VanDerWaalsContact OD1-N 3.13Å; D47-K51 WeakPolarHBondContact O-CB 3.38Å; D47-K51 PolarHBondContact O-N 2.95Å
48N98.1Very high97.6Very high11 Ų1155 Ų556%0.05927%0.269CS..Hα-helixtrans-64.2-46.3173.9-175.453.5000111.2D41 D43 N45 V50 K51 L52D41-N48 PolarHBondContact O-ND2 2.99Å; D43-N48 PolarHBondContact O-ND2 2.6Å; N45-N48 PolarHBondContact O-N 3.29Å; N45-N48 PolarHBondContact OD1-N 2.85Å; N48-V50 PolarHBondContact O-N 3.03Å; N48-K51 PolarHBondContact O-N 3.15Å; N48-L52 WeakPolarHBondContact ND2-CD1 3.27Å; N48-L52 WeakPolarHBondContact O-CG 3.12Å; N48-L52 PolarHBondContact O-N 3.17Å
49F98.3Very high97.8Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-57.5-47178.2-167.1-95.3000112F20 A25 I28 L29 N45 R46 L53 V119 L123F20-F49 HydrophobicContact CE2-CB 4.29Å; F20-F49 AromaticContact CE2-CD1 3.69Å; F20-F49 HydrophobicContact CE2-CD1 3.69Å; F20-F49 HydrophobicContact CE2-CD2 4.42Å; F20-F49 HydrophobicContact CE2-CE1 4.03Å; F20-F49 AromaticContact CE2-CG 3.89Å; F20-F49 HydrophobicContact CE2-CG 3.89Å; F20-F49 HydrophobicContact CZ-CB 3.87Å; F20-F49 HydrophobicContact CZ-CD1 4.16Å; F20-F49 HydrophobicContact CZ-CD2 4.42Å; F20-F49 AromaticContact CZ-CG 3.92Å; F20-F49 HydrophobicContact CZ-CG 3.92Å; A25-F49 HydrophobicContact CB-CD2 3.72Å; A25-F49 HydrophobicContact CB-CE2 4Å; A25-F49 HydrophobicContact CB-CG 4.36Å; I28-F49 HydrophobicContact CB-CE2 4.31Å; I28-F49 HydrophobicContact CD1-CE2 4.49Å; I28-F49 HydrophobicContact CG2-CE2 3.93Å; I28-F49 HydrophobicContact CG2-CZ 4.34Å; L29-F49 HydrophobicContact CD1-CD2 4.08Å; L29-F49 HydrophobicContact CD2-CD2 4.01Å; L29-F49 HydrophobicContact CD2-CE2 4.32Å; L29-F49 HydrophobicContact CG-CD2 3.91Å; L29-F49 HydrophobicContact CG-CE2 4.3Å; N45-F49 PolarHBondContact O-N 3.3Å; R46-F49 PolarHBondContact O-N 3.41Å; F49-L53 HydrophobicContact CD1-CD1 4.01Å; F49-L53 HydrophobicContact CD2-CD1 4.11Å; F49-L53 HydrophobicContact CE1-CD1 3.58Å; F49-L53 HydrophobicContact CE2-CD1 3.69Å; F49-L53 HydrophobicContact CG-CD1 4.27Å; F49-L53 HydrophobicContact CZ-CD1 3.42Å; F49-L53 VanDerWaalsContact CZ-CD1 3.42Å; F49-L53 WeakPolarHBondContact O-CG 3.48Å; F49-L53 PolarHBondContact O-N 3.44Å; F49-V119 HydrophobicContact CE1-CB 4.44Å; F49-V119 HydrophobicContact CE1-CG1 3.94Å; F49-V119 HydrophobicContact CZ-CG1 4.32Å; F49-L123 HydrophobicContact CZ-CD1 3.97Å
50V98.3Very high98Very high16 Ų1643.8 Ų43.810%0.09722%0.217CC..Hα-helixtrans-62.7-50175173.80000110.5R46 N48 L52 L53 K54 N113 L116R46-V50 VanDerWaalsContact O-CG2 3.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.46Å; R46-V50 PolarHBondContact O-N 2.96Å; N48-V50 PolarHBondContact O-N 3.03Å; V50-L52 PolarHBondContact O-N 2.93Å; V50-L53 PolarHBondContact O-N 3.45Å; V50-K54 HydrophobicContact CG1-CB 4.06Å; V50-K54 HydrophobicContact CG1-CD 3.91Å; V50-K54 WeakPolarHBondContact O-CA 3.41Å; V50-K54 WeakPolarHBondContact O-CB 3.37Å; V50-K54 PolarHBondContact O-N 2.9Å; V50-N113 HydrophobicContact CG2-CB 4.38Å; V50-L116 HydrophobicContact CG2-CD1 3.54Å; V50-L116 HydrophobicContact CG2-CD2 3.89Å; V50-L116 HydrophobicContact CG2-CG 4.28Å
51K98.2Very high98Very high167 Ų16746.3 Ų46.373%0.72623%0.227SC*.Hα-helixtrans-53.9-41.2-178.2176.5-173.2170.1-167.60112.4D47 N48D47-K51 WeakPolarHBondContact O-CB 3.38Å; D47-K51 PolarHBondContact O-N 2.95Å; N48-K51 PolarHBondContact O-N 3.15Å
52L98.7Very high98Very high32 Ų3241.7 Ų41.717%0.16820%0.203CC..Hα-helixtrans-77.4-33.9-177.1-70.7171.2000113.8L29 I40 D41 N48 V50 L58L29-L52 HydrophobicContact CD1-CD1 4.13Å; L29-L52 HydrophobicContact CD2-CD1 3.93Å; I40-L52 HydrophobicContact CB-CD1 4.25Å; I40-L52 HydrophobicContact CB-CD2 4.08Å; I40-L52 HydrophobicContact CG2-CD2 4.02Å; D41-L52 WeakPolarHBondContact O-CD1 3.29Å; N48-L52 WeakPolarHBondContact ND2-CD1 3.27Å; N48-L52 WeakPolarHBondContact O-CG 3.12Å; N48-L52 PolarHBondContact O-N 3.17Å; V50-L52 PolarHBondContact O-N 2.93Å; L52-L58 HydrophobicContact CB-CD2 4.21Å
53L98.8Very high98Very high0 Ų041 Ų410%020%0.198CC..Hα-helixtrans-105.7-19.2-170.2-56.9-178.8000113.9I32 F49 V50 D55 G56 L58 L59 L110 L123I32-L53 HydrophobicContact CD1-CD1 4.46Å; I32-L53 HydrophobicContact CD1-CD2 3.91Å; F49-L53 HydrophobicContact CD1-CD1 4.01Å; F49-L53 HydrophobicContact CD2-CD1 4.11Å; F49-L53 HydrophobicContact CE1-CD1 3.58Å; F49-L53 HydrophobicContact CE2-CD1 3.69Å; F49-L53 HydrophobicContact CG-CD1 4.27Å; F49-L53 HydrophobicContact CZ-CD1 3.42Å; F49-L53 VanDerWaalsContact CZ-CD1 3.42Å; F49-L53 WeakPolarHBondContact O-CG 3.48Å; F49-L53 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 3.45Å; L53-D55 VanDerWaalsContact C-N 3.25Å; L53-D55 PolarHBondContact O-N 3.31Å; L53-D55 VanDerWaalsContact O-N 3.11Å; L53-G56 PolarHBondContact O-N 3.29Å; L53-L58 HydrophobicContact CD2-CB 4.32Å; L53-L58 HydrophobicContact CD2-CD2 3.87Å; L53-L58 HydrophobicContact CD2-CG 4.19Å; L53-L59 HydrophobicContact CB-CG 4.47Å; L53-L59 HydrophobicContact CD1-CD2 4.46Å; L53-L59 HydrophobicContact CD2-CD2 3.91Å; L53-L59 HydrophobicContact CD2-CG 4.14Å; L53-L110 HydrophobicContact CB-CD1 4.14Å; L53-L110 HydrophobicContact CB-CD2 4.04Å; L53-L110 WeakPolarHBondContact O-CD2 3.3Å; L53-L123 HydrophobicContact CD1-CD1 3.99Å
54K98.5Very high98Very high82 Ų8239.1 Ų39.136%0.35719%0.188SC..THydrogen-bonded Turntrans-56.6-29.9-170.1169.6165.3178.6151.20115.3V50 G56 I87 F111V50-K54 HydrophobicContact CG1-CB 4.06Å; V50-K54 HydrophobicContact CG1-CD 3.91Å; V50-K54 WeakPolarHBondContact O-CA 3.41Å; V50-K54 WeakPolarHBondContact O-CB 3.37Å; V50-K54 PolarHBondContact O-N 2.9Å; K54-G56 VanDerWaalsContact C-N 3.35Å; K54-I87 WeakPolarHBondContact O-CD1 3.4Å; K54-F111 WeakPolarHBondContact CE-O 3.3Å; K54-F111 HydrophobicContact CG-CD2 4.17Å; K54-F111 PolarHBondContact NZ-O 2.83Å
55D98.5Very high98Very high49 Ų4941.3 Ų41.326%0.26220%0.203SC..THydrogen-bonded Turntrans-89.3-4.3-179.674.36.2000114L53 V57 P77 C83 N86L53-D55 VanDerWaalsContact C-N 3.25Å; L53-D55 PolarHBondContact O-N 3.31Å; L53-D55 VanDerWaalsContact O-N 3.11Å; D55-V57 PolarHBondContact O-N 2.89Å; D55-V57 VanDerWaalsContact O-N 3.15Å; D55-V57 WeakPolarHBondContact OD1-CB 3.48Å; D55-V57 PolarHBondContact OD1-N 3.44Å; D55-P77 HydrophobicContact CB-CB 3.65Å; D55-P77 HydrophobicContact CB-CG 4.36Å; D55-C83 WeakPolarHBondContact O-CA 3.34Å; D55-N86 WeakPolarHBondContact O-CB 2.94Å; D55-N86 PolarHBondContact O-ND2 3.33Å; D55-N86 VanDerWaalsContact O-ND2 3.13Å
56G98.8Very high97.9Very high0 Ų039.7 Ų39.70%019%0.194CC..SBendtrans69.3-2.9-179.200000115.5L53 K54 L59 C60L53-G56 PolarHBondContact O-N 3.29Å; K54-G56 VanDerWaalsContact C-N 3.35Å; G56-L59 PolarHBondContact O-N 3.26Å; G56-C60 PolarHBondContact O-N 2.99Å; G56-C60 PolarHBondContact O-SG 3.13Å
57V98.8Very high97.8Very high47 Ų4739 Ų3929%0.28520%0.196SC..Hα-helixtrans-67.8-46.7-176.6175.10000110.4D55 L59 C60 K61 V74 P77 N86D55-V57 PolarHBondContact O-N 2.89Å; D55-V57 VanDerWaalsContact O-N 3.15Å; D55-V57 WeakPolarHBondContact OD1-CB 3.48Å; D55-V57 PolarHBondContact OD1-N 3.44Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.09Å; V57-C60 WeakPolarHBondContact O-CB 3.43Å; V57-C60 PolarHBondContact O-N 2.87Å; V57-K61 PolarHBondContact O-N 3.47Å; V57-V74 HydrophobicContact CG1-CG1 4.35Å; V57-V74 HydrophobicContact CG2-CG1 4.39Å; V57-P77 HydrophobicContact CG2-CB 4.18Å; V57-P77 HydrophobicContact CG2-CG 3.92Å; V57-N86 WeakPolarHBondContact CG2-ND2 3.17Å
58L98.8Very high97.8Very high18 Ų1837.7 Ų37.79%0.09419%0.194CC..Hα-helixtrans-64.1-37.6178.4-176.357.4000111.7I32 T36 E38 I40 L52 L53 K61 L62I32-L58 HydrophobicContact CG2-CD1 3.92Å; I32-L58 HydrophobicContact CG2-CD2 3.96Å; I32-L58 HydrophobicContact CG2-CG 3.8Å; T36-L58 HydrophobicContact CG2-CD1 4.36Å; E38-L58 HydrophobicContact CB-CD1 4.36Å; E38-L58 HydrophobicContact CG-CD1 3.96Å; I40-L58 HydrophobicContact CD1-CD2 3.99Å; I40-L58 HydrophobicContact CG2-CD2 4.03Å; L52-L58 HydrophobicContact CB-CD2 4.21Å; L53-L58 HydrophobicContact CD2-CB 4.32Å; L53-L58 HydrophobicContact CD2-CD2 3.87Å; L53-L58 HydrophobicContact CD2-CG 4.19Å; L58-K61 PolarHBondContact O-N 3.46Å; L58-L62 PolarHBondContact O-N 2.87Å
59L98.9Very high97.6Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-63-42.4172.9-67.7178.5000111.9L53 G56 V57 K61 L62 A63 F90 F105 L110 L123L53-L59 HydrophobicContact CB-CG 4.47Å; L53-L59 HydrophobicContact CD1-CD2 4.46Å; L53-L59 HydrophobicContact CD2-CD2 3.91Å; L53-L59 HydrophobicContact CD2-CG 4.14Å; G56-L59 PolarHBondContact O-N 3.26Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.09Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.97Å; L59-L62 WeakPolarHBondContact O-CB 3.32Å; L59-L62 PolarHBondContact O-N 2.85Å; L59-A63 PolarHBondContact O-N 3.36Å; L59-A63 VanDerWaalsContact O-N 3.09Å; L59-F90 HydrophobicContact CB-CB 3.86Å; L59-F90 HydrophobicContact CB-CD1 4.01Å; L59-F90 HydrophobicContact CB-CD2 3.82Å; L59-F90 HydrophobicContact CB-CE2 4.38Å; L59-F90 HydrophobicContact CB-CG 3.6Å; L59-F90 HydrophobicContact CD1-CD1 3.9Å; L59-F90 HydrophobicContact CD1-CE1 4.34Å; L59-F90 HydrophobicContact CD1-CG 4.32Å; L59-F90 HydrophobicContact CD2-CD1 4.24Å; L59-F90 HydrophobicContact CD2-CE1 4.02Å; L59-F90 HydrophobicContact CD2-CE2 4.39Å; L59-F90 HydrophobicContact CD2-CZ 4.1Å; L59-F90 HydrophobicContact CG-CD1 4.29Å; L59-F90 HydrophobicContact CG-CG 4.38Å; L59-F90 WeakPolarHBondContact O-CD2 3.27Å; L59-F105 HydrophobicContact CD1-CZ 4.17Å; L59-L110 HydrophobicContact CD1-CD2 3.6Å; L59-L123 HydrophobicContact CD2-CD1 4.27Å; L59-L123 HydrophobicContact CD2-CD2 3.84Å
60C98.8Very high97.6Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-63.7-39.9174.7-69.80000112G56 V57 A63 N64 I71 V74 N86G56-C60 PolarHBondContact O-N 2.99Å; G56-C60 PolarHBondContact O-SG 3.13Å; V57-C60 WeakPolarHBondContact O-CB 3.43Å; V57-C60 PolarHBondContact O-N 2.87Å; C60-A63 PolarHBondContact O-N 3.22Å; C60-N64 PolarHBondContact O-N 3.42Å; C60-I71 HydrophobicContact CB-CD1 3.95Å; C60-I71 HydrophobicContact CB-CG2 4.47Å; C60-V74 HydrophobicContact CB-CB 4.42Å; C60-V74 HydrophobicContact CB-CG1 3.91Å; C60-V74 HydrophobicContact CB-CG2 3.63Å; C60-N86 PolarHBondContact SG-O 2.9Å
61K98.4Very high97.6Very high75 Ų7544.6 Ų44.633%0.32623%0.231SC..Hα-helixtrans-62.3-44175.3-174.4169.8174168.40111T36 E38 V57 L58 L59 A63 N64 S65T36-K61 HydrophobicContact CG2-CB 4.44Å; T36-K61 HydrophobicContact CG2-CG 4.09Å; T36-K61 VanDerWaalsContact O-CE 3.27Å; T36-K61 WeakPolarHBondContact O-CE 3.45Å; E38-K61 HydrophobicContact CG-CD 3.81Å; E38-K61 WeakPolarHBondContact OE1-CD 3.22Å; E38-K61 VanDerWaalsContact OE1-CE 3.29Å; E38-K61 WeakPolarHBondContact OE1-CE 3.36Å; E38-K61 IonicContact OE1-NZ 3.85Å; E38-K61 PolarHBondContact OE1-NZ 3.1Å; V57-K61 PolarHBondContact O-N 3.47Å; L58-K61 PolarHBondContact O-N 3.46Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.97Å; K61-A63 PolarHBondContact O-N 2.96Å; K61-N64 CarbonylContact O-C 3.54Å; K61-N64 PolarHBondContact O-N 3.19Å; K61-S65 WeakPolarHBondContact O-CB 3.34Å; K61-S65 PolarHBondContact O-N 3.41Å; K61-S65 PolarHBondContact O-OG 2.91Å
62L98.2Very high97.5Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-53.3-51.9173.5174.768.2000111.8W31 I32 V35 T36 L58 L59 N64 S65 I66 F90 L123 L126W31-L62 HydrophobicContact CH2-CD1 4.11Å; W31-L62 HydrophobicContact CH2-CD2 3.86Å; W31-L62 HydrophobicContact CH2-CG 4.38Å; W31-L62 HydrophobicContact CZ2-CD1 4.2Å; W31-L62 HydrophobicContact CZ3-CD1 4.36Å; W31-L62 HydrophobicContact CZ3-CD2 3.77Å; I32-L62 HydrophobicContact CD1-CD2 4.42Å; I32-L62 HydrophobicContact CG1-CD1 4.34Å; I32-L62 HydrophobicContact CG1-CD2 4Å; V35-L62 HydrophobicContact CB-CD1 3.89Å; V35-L62 HydrophobicContact CG1-CD1 3.79Å; V35-L62 HydrophobicContact CG2-CD1 4.48Å; T36-L62 HydrophobicContact CG2-CB 4.01Å; T36-L62 HydrophobicContact CG2-CD1 4.35Å; L58-L62 PolarHBondContact O-N 2.87Å; L59-L62 WeakPolarHBondContact O-CB 3.32Å; L59-L62 PolarHBondContact O-N 2.85Å; L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 3.41Å; L62-S65 PolarHBondContact O-N 2.91Å; L62-I66 HydrophobicContact CD1-CD1 4.15Å; L62-I66 HydrophobicContact CG-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CG1 3.24Å; L62-I66 PolarHBondContact O-N 3.38Å; L62-F90 HydrophobicContact CD2-CE2 4.02Å; L62-F90 HydrophobicContact CD2-CZ 4.38Å; L62-L123 HydrophobicContact CD2-CD2 3.84Å; L62-L126 HydrophobicContact CD2-CD2 4.28Å
63A98.1Very high97.4Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-60.3-41179.400000112.5L59 C60 K61 I66 Q67 I71 F90 A93 F97L59-A63 PolarHBondContact O-N 3.36Å; L59-A63 VanDerWaalsContact O-N 3.09Å; C60-A63 PolarHBondContact O-N 3.22Å; K61-A63 PolarHBondContact O-N 2.96Å; A63-I66 PolarHBondContact O-N 2.99Å; A63-Q67 PolarHBondContact O-N 3.26Å; A63-Q67 VanDerWaalsContact O-N 3.07Å; A63-I71 HydrophobicContact CB-CD1 3.71Å; A63-I71 HydrophobicContact CB-CG1 4.38Å; A63-F90 HydrophobicContact CB-CD2 4.17Å; A63-A93 HydrophobicContact CB-CB 3.92Å; A63-F97 HydrophobicContact CB-CE2 4.06Å
64N97.8Very high97.4Very high40 Ų4054 Ų5421%0.21428%0.275CS..Hα-helixtrans-73.3-26.3177.8-78.5-23000113.6C60 K61 L62 Q67 P68 T70 I71C60-N64 PolarHBondContact O-N 3.42Å; K61-N64 CarbonylContact O-C 3.54Å; K61-N64 PolarHBondContact O-N 3.19Å; L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 3.41Å; N64-Q67 WeakPolarHBondContact CA-O 3.44Å; N64-Q67 CarbonylContact O-C 3.25Å; N64-Q67 VanDerWaalsContact O-C 3.25Å; N64-P68 VanDerWaalsContact O-CA 3.3Å; N64-P68 WeakPolarHBondContact O-CA 3.46Å; N64-T70 PolarHBondContact OD1-N 2.99Å; N64-I71 PolarHBondContact ND2-O 3.32Å; N64-I71 PolarHBondContact OD1-N 3.07Å; N64-I71 PolarHBondContact OD1-O 3.04Å
65S95.6Very high97.4Very high50 Ų5052 Ų5235%0.3527%0.267SS..Hα-helixtrans-72.5-36.6170.7-74.50000112.3V35 K61 L62V35-S65 VanDerWaalsContact O-CB 3.27Å; V35-S65 WeakPolarHBondContact O-CB 3.43Å; V35-S65 PolarHBondContact O-OG 3.3Å; K61-S65 WeakPolarHBondContact O-CB 3.34Å; K61-S65 PolarHBondContact O-N 3.41Å; K61-S65 PolarHBondContact O-OG 2.91Å; L62-S65 PolarHBondContact O-N 2.91Å
66I94.4Very high97.4Very high14 Ų1457.5 Ų57.57%0.07229%0.289CS..Hα-helixtrans-65.8-44.9174.9-75.2167.2000111.5W31 V35 L62 A63 F97 L126 M130 K135W31-I66 HydrophobicContact CH2-CD1 4.38Å; W31-I66 HydrophobicContact CZ2-CD1 4.18Å; V35-I66 HydrophobicContact CG1-CG1 4.01Å; L62-I66 HydrophobicContact CD1-CD1 4.15Å; L62-I66 HydrophobicContact CG-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CG1 3.24Å; L62-I66 PolarHBondContact O-N 3.38Å; A63-I66 PolarHBondContact O-N 2.99Å; I66-F97 HydrophobicContact CB-CE2 4.3Å; I66-F97 HydrophobicContact CB-CZ 4.29Å; I66-F97 HydrophobicContact CG2-CD1 4.45Å; I66-F97 HydrophobicContact CG2-CD2 4.33Å; I66-F97 HydrophobicContact CG2-CE1 4.05Å; I66-F97 HydrophobicContact CG2-CE2 3.9Å; I66-F97 HydrophobicContact CG2-CZ 3.74Å; I66-L126 HydrophobicContact CD1-CD1 4.44Å; I66-L126 HydrophobicContact CD1-CD2 3.99Å; I66-L126 HydrophobicContact CD1-CG 4.23Å; I66-M130 HydrophobicContact CB-SD 4.36Å; I66-M130 HydrophobicContact CD1-CG 3.84Å; I66-M130 HydrophobicContact CD1-SD 4.19Å; I66-M130 HydrophobicContact CG1-CG 4.21Å; I66-M130 HydrophobicContact CG1-SD 4.27Å; I66-M130 HydrophobicContact CG2-CE 4.45Å; I66-M130 HydrophobicContact CG2-CG 4.26Å; I66-M130 HydrophobicContact CG2-SD 3.23Å; I66-M130 WeakPolarHBondContact CG2-SD 3.34Å; I66-K135 HydrophobicContact CG2-CD 4.22Å; I66-K135 PolarHBondContact O-NZ 3.35Å
67Q94Very high97.3Very high95 Ų9560.5 Ų60.544%0.44431%0.308SS..SBendtrans-146.3112.4177.3178.2174.2-44.900108.8A63 N64 T70 F97A63-Q67 PolarHBondContact O-N 3.26Å; A63-Q67 VanDerWaalsContact O-N 3.07Å; N64-Q67 WeakPolarHBondContact CA-O 3.44Å; N64-Q67 CarbonylContact O-C 3.25Å; N64-Q67 VanDerWaalsContact O-C 3.25Å; Q67-T70 WeakPolarHBondContact CB-OG1 3.5Å; Q67-T70 WeakPolarHBondContact O-CB 3.5Å; Q67-T70 PolarHBondContact O-N 3.05Å; Q67-T70 PolarHBondContact O-OG1 3.4Å; Q67-F97 HydrophobicContact CB-CE1 3.71Å; Q67-F97 HydrophobicContact CB-CZ 3.83Å; Q67-F97 HydrophobicContact CG-CE1 4.46Å
68P95.4Very high97.3Very high96 Ų9665.4 Ų65.462%0.62333%0.331SS*.THydrogen-bonded Turntrans-52.9142.3179.8-29.536000112.7N64 T70N64-P68 VanDerWaalsContact O-CA 3.3Å; N64-P68 WeakPolarHBondContact O-CA 3.46Å; P68-T70 VanDerWaalsContact C-N 3.26Å; P68-T70 PolarHBondContact O-N 2.66Å
69N95.3Very high97.3Very high133 Ų13367 Ų6771%0.71134%0.344SS*.THydrogen-bonded Turntrans63.121.1177.2-53.8-55.7000115.7
70T97.7Very high97.3Very high25 Ų2572 Ų7215%0.15337%0.37CS..SBendtrans-66.3-47.7175-62.10000111.7N64 Q67 P68 A93 F97N64-T70 PolarHBondContact OD1-N 2.99Å; Q67-T70 WeakPolarHBondContact CB-OG1 3.5Å; Q67-T70 WeakPolarHBondContact O-CB 3.5Å; Q67-T70 PolarHBondContact O-N 3.05Å; Q67-T70 PolarHBondContact O-OG1 3.4Å; P68-T70 VanDerWaalsContact C-N 3.26Å; P68-T70 PolarHBondContact O-N 2.66Å; T70-A93 HydrophobicContact CG2-CB 3.59Å; T70-F97 HydrophobicContact CG2-CE1 4.29Å; T70-F97 HydrophobicContact CG2-CE2 4.32Å; T70-F97 HydrophobicContact CG2-CZ 3.73Å
71I98.5Very high97.2Very high13 Ų1379.9 Ų79.97%0.06741%0.405CS..SBendtrans-107.3101.9174-61.5168.7000107.6C60 A63 N64 V74 A89 F90 A93C60-I71 HydrophobicContact CB-CD1 3.95Å; C60-I71 HydrophobicContact CB-CG2 4.47Å; A63-I71 HydrophobicContact CB-CD1 3.71Å; A63-I71 HydrophobicContact CB-CG1 4.38Å; N64-I71 PolarHBondContact ND2-O 3.32Å; N64-I71 PolarHBondContact OD1-N 3.07Å; N64-I71 PolarHBondContact OD1-O 3.04Å; I71-V74 HydrophobicContact CG2-CG2 3.99Å; I71-A89 HydrophobicContact CD1-CB 4.25Å; I71-A89 HydrophobicContact CG1-CB 4.36Å; I71-A89 HydrophobicContact CG2-CB 3.91Å; I71-F90 HydrophobicContact CD1-CB 4.45Å; I71-A93 HydrophobicContact CD1-CB 4.04Å; I71-A93 HydrophobicContact CG1-CB 4.04Å
72K96.4Very high97.2Very high197 Ų19776.7 Ų76.786%0.85739%0.393SS*.SBendtrans-70.5-32.2-173.9-64.2-178178.7-1790113.6
73K96.8Very high97.3Very high141 Ų14177.2 Ų77.261%0.61340%0.397SS*.  trans-130103.3-176.6-172.9-174.9178.8-152.50109.5Q75K73-Q75 VanDerWaalsContact CE-NE2 3.33Å; K73-Q75 VanDerWaalsContact CE-OE1 3.24Å
74V98.4Very high97.3Very high58 Ų5879.1 Ų79.135%0.35241%0.406SS..PPolyproline II helixtrans-90.7124168-173.90000107.5V57 C60 I71V57-V74 HydrophobicContact CG1-CG1 4.35Å; V57-V74 HydrophobicContact CG2-CG1 4.39Å; C60-V74 HydrophobicContact CB-CB 4.42Å; C60-V74 HydrophobicContact CB-CG1 3.91Å; C60-V74 HydrophobicContact CB-CG2 3.63Å; I71-V74 HydrophobicContact CG2-CG2 3.99Å
75Q98.5Very high97.3Very high40 Ų4082 Ų8219%0.18742%0.418CS..PPolyproline II helixtrans-75.9142.5178.4-52.2-65.5-7.600109.7K73 A82 E85 N86K73-Q75 VanDerWaalsContact CE-NE2 3.33Å; K73-Q75 VanDerWaalsContact CE-OE1 3.24Å; Q75-A82 HydrophobicContact CB-CB 3.79Å; Q75-A82 HydrophobicContact CG-CB 4.49Å; Q75-E85 HydrophobicContact CG-CB 4.04Å; Q75-E85 VanDerWaalsContact CG-OE2 3.32Å; Q75-E85 WeakPolarHBondContact CG-OE2 3.5Å; Q75-E85 PolarHBondContact NE2-OE2 2.95Å; Q75-N86 WeakPolarHBondContact CB-OD1 3.49Å; Q75-N86 PolarHBondContact N-OD1 3.32Å; Q75-N86 PolarHBondContact O-ND2 2.91Å
76K98.3Very high97.5Very high166 Ų16679.6 Ų79.672%0.72240%0.401SS*.PPolyproline II helixtrans-65.6131.9165.2-65.6-177.8179.3-1790108I78 A82K76-I78 HydrophobicContact CB-CG2 4.15Å; K76-I78 PolarHBondContact O-N 3.15Å; K76-A82 VanDerWaalsContact O-CB 3.3Å; K76-A82 WeakPolarHBondContact O-CB 3.3Å
77P97.3Very high97.7Very high62 Ų6278.9 Ų78.940%0.40340%0.398SS..SBendtrans-79.356.4-173.334.3-37.8000112.2D55 V57D55-P77 HydrophobicContact CB-CB 3.65Å; D55-P77 HydrophobicContact CB-CG 4.36Å; V57-P77 HydrophobicContact CG2-CB 4.18Å; V57-P77 HydrophobicContact CG2-CG 3.92Å
78I97.9Very high97.9Very high150 Ų15077.8 Ų77.877%0.76940%0.395SS*.SBendtrans-90.2-12.5-178.160.9171.7000113K76K76-I78 HydrophobicContact CB-CG2 4.15Å; K76-I78 PolarHBondContact O-N 3.15Å
79S98.2Very high98.1Very high51 Ų5174.6 Ų74.636%0.35738%0.377SS..SBendtrans-145.6156.3-179.2730000111F81 A82 C83S79-F81 PolarHBondContact O-N 3.36Å; S79-A82 WeakPolarHBondContact O-CB 3.39Å; S79-A82 PolarHBondContact O-N 3Å; S79-A82 WeakPolarHBondContact OG-CB 3.14Å; S79-A82 PolarHBondContact OG-N 3.35Å; S79-A82 VanDerWaalsContact OG-N 3.15Å; S79-C83 PolarHBondContact O-N 3.03Å; S79-C83 VanDerWaalsContact O-N 3.08Å; S79-C83 PolarHBondContact O-SG 2.85Å; S79-C83 VanDerWaalsContact O-SG 3.41Å
80N98.4Very high98.2Very high105 Ų10568.3 Ų68.356%0.56134%0.343SS*.Hα-helixtrans-56.5-40.5176.5-61.7-2.8000111.5A82 C83 M84 F111N80-A82 PolarHBondContact O-N 2.89Å; N80-C83 PolarHBondContact O-N 2.63Å; N80-M84 WeakPolarHBondContact O-CG 3.31Å; N80-M84 PolarHBondContact O-N 3.2Å; N80-F111 HydrophobicContact CB-CE1 3.97Å; N80-F111 HydrophobicContact CB-CE2 4.44Å; N80-F111 HydrophobicContact CB-CZ 3.58Å; N80-F111 VanDerWaalsContact CG-CZ 3.45Å; N80-F111 WeakPolarHBondContact OD1-CZ 3.47Å
81F98.2Very high98.3Very high166 Ų16667.4 Ų67.473%0.72834%0.338SS*.Hα-helixtrans-60.9-42.6175.6-66.6-72.6000112.1S79 C83 M84 E85S79-F81 PolarHBondContact O-N 3.36Å; F81-C83 PolarHBondContact O-N 2.93Å; F81-M84 PolarHBondContact O-N 3.49Å; F81-E85 WeakPolarHBondContact O-CB 3.04Å; F81-E85 WeakPolarHBondContact O-CG 3.02Å; F81-E85 PolarHBondContact O-N 2.94Å
82A98.6Very high98.3Very high9 Ų971.1 Ų71.17%0.07436%0.355CS..Hα-helixtrans-63.2-41.4177.200000112.1Q75 K76 S79 N80 E85 N86Q75-A82 HydrophobicContact CB-CB 3.79Å; Q75-A82 HydrophobicContact CG-CB 4.49Å; K76-A82 VanDerWaalsContact O-CB 3.3Å; K76-A82 WeakPolarHBondContact O-CB 3.3Å; S79-A82 WeakPolarHBondContact O-CB 3.39Å; S79-A82 PolarHBondContact O-N 3Å; S79-A82 WeakPolarHBondContact OG-CB 3.14Å; S79-A82 PolarHBondContact OG-N 3.35Å; S79-A82 VanDerWaalsContact OG-N 3.15Å; N80-A82 PolarHBondContact O-N 2.89Å; A82-E85 PolarHBondContact O-N 3.46Å; A82-N86 PolarHBondContact O-N 3.41Å; A82-N86 PolarHBondContact O-ND2 2.85Å
83C98.6Very high98.4Very high11 Ų1161.8 Ų61.87%0.07432%0.315CS..Hα-helixtrans-63.2-46.8175.5-60.90000111.7D55 S79 N80 F81 E85 N86 I87 F111D55-C83 WeakPolarHBondContact O-CA 3.34Å; S79-C83 PolarHBondContact O-N 3.03Å; S79-C83 VanDerWaalsContact O-N 3.08Å; S79-C83 PolarHBondContact O-SG 2.85Å; S79-C83 VanDerWaalsContact O-SG 3.41Å; N80-C83 PolarHBondContact O-N 2.63Å; F81-C83 PolarHBondContact O-N 2.93Å; C83-E85 VanDerWaalsContact C-N 3.33Å; C83-E85 PolarHBondContact O-N 3.23Å; C83-N86 WeakPolarHBondContact O-CB 3.46Å; C83-N86 PolarHBondContact O-N 3.42Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.11Å; C83-F111 HydrophobicContact CB-CD2 3.76Å; C83-F111 HydrophobicContact CB-CE2 3.63Å
84M98.4Very high98.5Very high40 Ų4055.1 Ų55.120%0.19729%0.285CS..Hα-helixtrans-63.1-38.7177-70.1-177178.100112.2N80 F81 I87 N88 V108 F111N80-M84 WeakPolarHBondContact O-CG 3.31Å; N80-M84 PolarHBondContact O-N 3.2Å; F81-M84 PolarHBondContact O-N 3.49Å; M84-I87 PolarHBondContact O-N 3.25Å; M84-N88 WeakPolarHBondContact O-CB 3.25Å; M84-N88 PolarHBondContact O-N 3.37Å; M84-N88 PolarHBondContact O-ND2 3.36Å; M84-V108 HydrophobicContact CE-CG1 4.03Å; M84-F111 HydrophobicContact CE-CD1 3.4Å; M84-F111 HydrophobicContact CE-CE1 3.87Å; M84-F111 HydrophobicContact CE-CG 4.13Å; M84-F111 HydrophobicContact CG-CD1 4.39Å; M84-F111 HydrophobicContact CG-CG 4.27Å
85E98.7Very high98.5Very high99 Ų9955.4 Ų55.446%0.46328%0.282SS..Hα-helixtrans-60.9-43.8173.7-81.5-172.7-17100112.1Q75 F81 A82 C83 N88 A89Q75-E85 HydrophobicContact CG-CB 4.04Å; Q75-E85 VanDerWaalsContact CG-OE2 3.32Å; Q75-E85 WeakPolarHBondContact CG-OE2 3.5Å; Q75-E85 PolarHBondContact NE2-OE2 2.95Å; F81-E85 WeakPolarHBondContact O-CB 3.04Å; F81-E85 WeakPolarHBondContact O-CG 3.02Å; F81-E85 PolarHBondContact O-N 2.94Å; A82-E85 PolarHBondContact O-N 3.46Å; C83-E85 VanDerWaalsContact C-N 3.33Å; C83-E85 PolarHBondContact O-N 3.23Å; E85-N88 PolarHBondContact O-N 2.84Å; E85-A89 WeakPolarHBondContact O-CB 3.31Å; E85-A89 PolarHBondContact O-N 3.02Å
86N98.9Very high98.5Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-60.9-46.3175.6-72.9-22.6000111.6D55 V57 C60 Q75 A82 C83 N88 A89 F90D55-N86 WeakPolarHBondContact O-CB 2.94Å; D55-N86 PolarHBondContact O-ND2 3.33Å; D55-N86 VanDerWaalsContact O-ND2 3.13Å; V57-N86 WeakPolarHBondContact CG2-ND2 3.17Å; C60-N86 PolarHBondContact SG-O 2.9Å; Q75-N86 WeakPolarHBondContact CB-OD1 3.49Å; Q75-N86 PolarHBondContact N-OD1 3.32Å; Q75-N86 PolarHBondContact O-ND2 2.91Å; A82-N86 PolarHBondContact O-N 3.41Å; A82-N86 PolarHBondContact O-ND2 2.85Å; C83-N86 WeakPolarHBondContact O-CB 3.46Å; C83-N86 PolarHBondContact O-N 3.42Å; N86-N88 PolarHBondContact O-N 3.09Å; N86-A89 PolarHBondContact O-N 2.9Å; N86-F90 PolarHBondContact O-N 2.84Å
87I98.9Very high98.4Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-62.3-45.9178.8-63.8164.6000110.7K54 C83 M84 A89 F90 T91 F105 L110 F111K54-I87 WeakPolarHBondContact O-CD1 3.4Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.11Å; M84-I87 PolarHBondContact O-N 3.25Å; I87-A89 VanDerWaalsContact C-N 3.31Å; I87-A89 PolarHBondContact O-N 3.06Å; I87-F90 WeakPolarHBondContact O-CB 3.4Å; I87-F90 PolarHBondContact O-N 3.27Å; I87-F90 VanDerWaalsContact O-N 3.17Å; I87-T91 PolarHBondContact O-N 3.35Å; I87-T91 PolarHBondContact O-OG1 2.96Å; I87-F105 HydrophobicContact CG2-CD2 4.36Å; I87-F105 HydrophobicContact CG2-CE2 3.43Å; I87-F105 VanDerWaalsContact CG2-CE2 3.43Å; I87-F105 HydrophobicContact CG2-CZ 3.94Å; I87-L110 HydrophobicContact CD1-CB 4.33Å; I87-L110 HydrophobicContact CD1-CD2 4.16Å; I87-L110 HydrophobicContact CD1-CG 4.28Å; I87-L110 HydrophobicContact CG1-CD2 4.24Å; I87-F111 HydrophobicContact CD1-CB 4Å
88N98.8Very high98.4Very high71 Ų7152.9 Ų52.938%0.3827%0.274SS..Hα-helixtrans-62.8-38177.3-67.6-22.2000111.6M84 E85 N86 F90 T91 E92 S107M84-N88 WeakPolarHBondContact O-CB 3.25Å; M84-N88 PolarHBondContact O-N 3.37Å; M84-N88 PolarHBondContact O-ND2 3.36Å; E85-N88 PolarHBondContact O-N 2.84Å; N86-N88 PolarHBondContact O-N 3.09Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 3.3Å; N88-T91 PolarHBondContact O-N 3.37Å; N88-T91 PolarHBondContact O-OG1 3.35Å; N88-T91 VanDerWaalsContact O-OG1 3.08Å; N88-E92 WeakPolarHBondContact O-CG 3.44Å; N88-E92 PolarHBondContact O-N 3.43Å; N88-E92 VanDerWaalsContact O-N 3.07Å; N88-S107 WeakPolarHBondContact OD1-CB 3.5Å; N88-S107 PolarHBondContact OD1-OG 3.4Å
89A98.9Very high98.4Very high30 Ų3046 Ų4625%0.24824%0.239CC..Hα-helixtrans-63.7-38.3175.300000112I71 E85 N86 I87 A93I71-A89 HydrophobicContact CD1-CB 4.25Å; I71-A89 HydrophobicContact CG1-CB 4.36Å; I71-A89 HydrophobicContact CG2-CB 3.91Å; E85-A89 WeakPolarHBondContact O-CB 3.31Å; E85-A89 PolarHBondContact O-N 3.02Å; N86-A89 PolarHBondContact O-N 2.9Å; I87-A89 VanDerWaalsContact C-N 3.31Å; I87-A89 PolarHBondContact O-N 3.06Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 3.49Å
90F98.9Very high98.3Very high0 Ų045.3 Ų45.30%023%0.234CC..Hα-helixtrans-65.1-47.7173.5169.5-103.1000112.6L59 L62 A63 I71 N86 I87 N88 E92 A93 A94 F105 L123 L126L59-F90 HydrophobicContact CB-CB 3.86Å; L59-F90 HydrophobicContact CB-CD1 4.01Å; L59-F90 HydrophobicContact CB-CD2 3.82Å; L59-F90 HydrophobicContact CB-CE2 4.38Å; L59-F90 HydrophobicContact CB-CG 3.6Å; L59-F90 HydrophobicContact CD1-CD1 3.9Å; L59-F90 HydrophobicContact CD1-CE1 4.34Å; L59-F90 HydrophobicContact CD1-CG 4.32Å; L59-F90 HydrophobicContact CD2-CD1 4.24Å; L59-F90 HydrophobicContact CD2-CE1 4.02Å; L59-F90 HydrophobicContact CD2-CE2 4.39Å; L59-F90 HydrophobicContact CD2-CZ 4.1Å; L59-F90 HydrophobicContact CG-CD1 4.29Å; L59-F90 HydrophobicContact CG-CG 4.38Å; L59-F90 WeakPolarHBondContact O-CD2 3.27Å; L62-F90 HydrophobicContact CD2-CE2 4.02Å; L62-F90 HydrophobicContact CD2-CZ 4.38Å; A63-F90 HydrophobicContact CB-CD2 4.17Å; I71-F90 HydrophobicContact CD1-CB 4.45Å; N86-F90 PolarHBondContact O-N 2.84Å; I87-F90 WeakPolarHBondContact O-CB 3.4Å; I87-F90 PolarHBondContact O-N 3.27Å; I87-F90 VanDerWaalsContact O-N 3.17Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 3.3Å; F90-E92 VanDerWaalsContact C-N 3.29Å; F90-E92 PolarHBondContact O-N 3.36Å; F90-A93 CarbonylContact O-C 3.6Å; F90-A93 WeakPolarHBondContact O-CA 3.29Å; F90-A93 WeakPolarHBondContact O-CB 3.39Å; F90-A93 PolarHBondContact O-N 3.38Å; F90-A94 PolarHBondContact O-N 2.77Å; F90-F105 HydrophobicContact CD1-CE1 4.23Å; F90-F105 HydrophobicContact CD1-CZ 4.15Å; F90-F105 AromaticContact CE1-CE1 3.99Å; F90-F105 HydrophobicContact CE1-CE1 3.99Å; F90-F105 HydrophobicContact CE1-CZ 4.28Å; F90-L123 HydrophobicContact CE1-CD2 4.18Å; F90-L123 HydrophobicContact CZ-CD2 3.64Å; F90-L126 HydrophobicContact CE2-CD2 3.8Å; F90-L126 HydrophobicContact CZ-CD2 3.82Å
91T98.8Very high98.3Very high7 Ų744.4 Ų44.44%0.04323%0.232CC..Hα-helixtrans-64.9-36.1-178.155.70000111.7I87 N88 A94 K95 F105I87-T91 PolarHBondContact O-N 3.35Å; I87-T91 PolarHBondContact O-OG1 2.96Å; N88-T91 PolarHBondContact O-N 3.37Å; N88-T91 PolarHBondContact O-OG1 3.35Å; N88-T91 VanDerWaalsContact O-OG1 3.08Å; T91-A94 PolarHBondContact O-N 3.38Å; T91-K95 WeakPolarHBondContact O-CG 3.29Å; T91-K95 PolarHBondContact O-N 3.01Å; T91-F105 HydrophobicContact CG2-CD1 3.99Å; T91-F105 HydrophobicContact CG2-CD2 4.47Å; T91-F105 HydrophobicContact CG2-CE1 3.69Å; T91-F105 HydrophobicContact CG2-CE2 4.21Å; T91-F105 HydrophobicContact CG2-CG 4.37Å; T91-F105 HydrophobicContact CG2-CZ 3.8Å
92E98.7Very high98.2Very high90 Ų9044.2 Ų44.242%0.42123%0.234SC..Hα-helixtrans-66-35.5170.8-69.9-56.2124.100112.8N88 F90 K95 K96N88-E92 WeakPolarHBondContact O-CG 3.44Å; N88-E92 PolarHBondContact O-N 3.43Å; N88-E92 VanDerWaalsContact O-N 3.07Å; F90-E92 VanDerWaalsContact C-N 3.29Å; F90-E92 PolarHBondContact O-N 3.36Å; E92-K95 IonicContact OE1-NZ 3.49Å; E92-K95 PolarHBondContact OE1-NZ 3.43Å; E92-K96 WeakPolarHBondContact O-CG 3.45Å; E92-K96 PolarHBondContact O-N 3.07Å
93A98.7Very high98.1Very high2 Ų246.4 Ų46.42%0.01724%0.242CC..Hα-helixtrans-65.9-42.9171.700000111.9A63 T70 I71 A89 F90 K95 K96 F97A63-A93 HydrophobicContact CB-CB 3.92Å; T70-A93 HydrophobicContact CG2-CB 3.59Å; I71-A93 HydrophobicContact CD1-CB 4.04Å; I71-A93 HydrophobicContact CG1-CB 4.04Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 3.49Å; F90-A93 CarbonylContact O-C 3.6Å; F90-A93 WeakPolarHBondContact O-CA 3.29Å; F90-A93 WeakPolarHBondContact O-CB 3.39Å; F90-A93 PolarHBondContact O-N 3.38Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.5Å; A93-K96 WeakPolarHBondContact O-CB 3.08Å; A93-K96 PolarHBondContact O-N 2.92Å; A93-K96 VanDerWaalsContact O-N 3.12Å; A93-F97 HydrophobicContact CB-CE2 4.31Å; A93-F97 VanDerWaalsContact O-CD2 3.24Å; A93-F97 WeakPolarHBondContact O-CD2 3.21Å; A93-F97 WeakPolarHBondContact O-CG 3.49Å; A93-F97 PolarHBondContact O-N 3.24Å
94A98.6Very high98.1Very high0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-59.1-43.2176.800000111.6F90 T91 K96 F97 G98 V99F90-A94 PolarHBondContact O-N 2.77Å; T91-A94 PolarHBondContact O-N 3.38Å; A94-K96 VanDerWaalsContact C-N 3.35Å; A94-K96 PolarHBondContact O-N 2.83Å; A94-F97 CarbonylContact O-C 3.56Å; A94-F97 WeakPolarHBondContact O-CA 3.14Å; A94-F97 WeakPolarHBondContact O-CB 3.47Å; A94-F97 PolarHBondContact O-N 2.88Å; A94-F97 VanDerWaalsContact O-N 3.1Å; A94-G98 PolarHBondContact O-N 2.83Å; A94-V99 HydrophobicContact CB-CB 4.18Å; A94-V99 HydrophobicContact CB-CG2 4.04Å; A94-V99 WeakPolarHBondContact O-CB 3.27Å; A94-V99 WeakPolarHBondContact O-CG2 3.11Å; A94-V99 PolarHBondContact O-N 3.19Å
95K98.6Very high98Very high64 Ų6445.6 Ų45.628%0.27824%0.239SC..Hα-helixtrans-58.5-44.1173.2-68.8174.3-169.9168.50112.3T91 E92 A93 F97 G98 T104T91-K95 WeakPolarHBondContact O-CG 3.29Å; T91-K95 PolarHBondContact O-N 3.01Å; E92-K95 IonicContact OE1-NZ 3.49Å; E92-K95 PolarHBondContact OE1-NZ 3.43Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.5Å; K95-F97 PolarHBondContact O-N 3.11Å; K95-G98 WeakPolarHBondContact O-CA 3.44Å; K95-G98 PolarHBondContact O-N 3.43Å; K95-T104 HydrophobicContact CD-CG2 4.48Å; K95-T104 HydrophobicContact CG-CG2 3.8Å
96K97.7Very high98Very high158 Ų15846.9 Ų46.969%0.68725%0.245SC*.Hα-helixtrans-62.9-30.9175.9-69.5171.7-173173.90112.8E92 A93 A94 G98E92-K96 WeakPolarHBondContact O-CG 3.45Å; E92-K96 PolarHBondContact O-N 3.07Å; A93-K96 WeakPolarHBondContact O-CB 3.08Å; A93-K96 PolarHBondContact O-N 2.92Å; A93-K96 VanDerWaalsContact O-N 3.12Å; A94-K96 VanDerWaalsContact C-N 3.35Å; A94-K96 PolarHBondContact O-N 2.83Å; K96-G98 PolarHBondContact O-N 3.45Å
97F97Very high98Very high21 Ų2147.6 Ų47.69%0.09225%0.249CC..THydrogen-bonded Turntrans-78.60.1173.2-63.1-36.4000113.9A63 I66 Q67 T70 A93 A94 K95 L126 M130A63-F97 HydrophobicContact CB-CE2 4.06Å; I66-F97 HydrophobicContact CB-CE2 4.3Å; I66-F97 HydrophobicContact CB-CZ 4.29Å; I66-F97 HydrophobicContact CG2-CD1 4.45Å; I66-F97 HydrophobicContact CG2-CD2 4.33Å; I66-F97 HydrophobicContact CG2-CE1 4.05Å; I66-F97 HydrophobicContact CG2-CE2 3.9Å; I66-F97 HydrophobicContact CG2-CZ 3.74Å; Q67-F97 HydrophobicContact CB-CE1 3.71Å; Q67-F97 HydrophobicContact CB-CZ 3.83Å; Q67-F97 HydrophobicContact CG-CE1 4.46Å; T70-F97 HydrophobicContact CG2-CE1 4.29Å; T70-F97 HydrophobicContact CG2-CE2 4.32Å; T70-F97 HydrophobicContact CG2-CZ 3.73Å; A93-F97 HydrophobicContact CB-CE2 4.31Å; A93-F97 VanDerWaalsContact O-CD2 3.24Å; A93-F97 WeakPolarHBondContact O-CD2 3.21Å; A93-F97 WeakPolarHBondContact O-CG 3.49Å; A93-F97 PolarHBondContact O-N 3.24Å; A94-F97 CarbonylContact O-C 3.56Å; A94-F97 WeakPolarHBondContact O-CA 3.14Å; A94-F97 WeakPolarHBondContact O-CB 3.47Å; A94-F97 PolarHBondContact O-N 2.88Å; A94-F97 VanDerWaalsContact O-N 3.1Å; K95-F97 PolarHBondContact O-N 3.11Å; F97-L126 HydrophobicContact CB-CD1 3.66Å; F97-L126 HydrophobicContact CD2-CD1 3.66Å; F97-L126 HydrophobicContact CG-CD1 4.08Å; F97-M130 HydrophobicContact CB-CE 3.73Å; F97-M130 HydrophobicContact CG-CE 4.15Å
98G96.6Very high98Very high36 Ų3649.1 Ų49.137%0.37126%0.259SS..THydrogen-bonded Turntrans94.714.2174.100000114.8A94 K95 K96 P100 K129A94-G98 PolarHBondContact O-N 2.83Å; K95-G98 WeakPolarHBondContact O-CA 3.44Å; K95-G98 PolarHBondContact O-N 3.43Å; K96-G98 PolarHBondContact O-N 3.45Å; G98-P100 WeakPolarHBondContact O-CD 3.28Å; G98-K129 WeakPolarHBondContact O-CE 3.06Å
99V97.7Very high97.9Very high5 Ų546.5 Ų46.53%0.0325%0.245CC..  trans-68.6123.7167.1179.10000108.6A94 E103 T104 L126A94-V99 HydrophobicContact CB-CB 4.18Å; A94-V99 HydrophobicContact CB-CG2 4.04Å; A94-V99 WeakPolarHBondContact O-CB 3.27Å; A94-V99 WeakPolarHBondContact O-CG2 3.11Å; A94-V99 PolarHBondContact O-N 3.19Å; V99-E103 HydrophobicContact CG1-CB 4.03Å; V99-T104 HydrophobicContact CG1-CG2 4.02Å; V99-L126 HydrophobicContact CG2-CB 3.81Å; V99-L126 HydrophobicContact CG2-CD1 4.05Å
100P97Very high97.9Very high38 Ų3845.1 Ų45.125%0.24723%0.233CC..  trans-56.9148.9175-21.131.8000111.9G98 E102 E103 T104G98-P100 WeakPolarHBondContact O-CD 3.28Å; P100-E102 VanDerWaalsContact C-N 3.26Å; P100-E102 HydrophobicContact CB-CG 3.97Å; P100-E102 VanDerWaalsContact CB-OE2 3.3Å; P100-E102 WeakPolarHBondContact CB-OE2 3.25Å; P100-E102 PolarHBondContact O-N 3.32Å; P100-E103 HydrophobicContact CB-CG 4.38Å; P100-E103 VanDerWaalsContact CD-OE2 3.25Å; P100-E103 WeakPolarHBondContact CD-OE2 3.33Å; P100-E103 HydrophobicContact CG-CG 4.38Å; P100-E103 PolarHBondContact O-N 2.49Å; P100-T104 PolarHBondContact O-N 3Å
101T97.5Very high97.9Very high86 Ų8646 Ų4653%0.52824%0.237SC..G310 helixtrans-64.4-35.7-176.1-64.90000111.5E103 T104T101-E103 PolarHBondContact O-N 2.87Å; T101-T104 WeakPolarHBondContact O-CB 3.2Å; T101-T104 PolarHBondContact O-N 3.21Å; T101-T104 PolarHBondContact O-OG1 2.93Å
102E96.3Very high97.8Very high162 Ų16250.9 Ų50.976%0.75726%0.259SS*.G310 helixtrans-65.4-18.6175.160.9-91-142.800114.2P100P100-E102 VanDerWaalsContact C-N 3.26Å; P100-E102 HydrophobicContact CB-CG 3.97Å; P100-E102 VanDerWaalsContact CB-OE2 3.3Å; P100-E102 WeakPolarHBondContact CB-OE2 3.25Å; P100-E102 PolarHBondContact O-N 3.32Å
103E96.5Very high97.6Very high54 Ų5448.8 Ų48.825%0.25225%0.251SS..G310 helixtrans-981.2173.4-66.1-173.3153.500111.9V99 P100 T101 V121 C122 S125 R128V99-E103 HydrophobicContact CG1-CB 4.03Å; P100-E103 HydrophobicContact CB-CG 4.38Å; P100-E103 VanDerWaalsContact CD-OE2 3.25Å; P100-E103 WeakPolarHBondContact CD-OE2 3.33Å; P100-E103 HydrophobicContact CG-CG 4.38Å; P100-E103 PolarHBondContact O-N 2.49Å; T101-E103 PolarHBondContact O-N 2.87Å; E103-V121 HydrophobicContact CB-CG1 4.03Å; E103-V121 HydrophobicContact CG-CG1 4.11Å; E103-C122 WeakPolarHBondContact O-CA 3.27Å; E103-C122 WeakPolarHBondContact O-CB 3.37Å; E103-C122 PolarHBondContact O-N 2.9Å; E103-S125 WeakPolarHBondContact OE2-CB 3.16Å; E103-S125 PolarHBondContact OE2-OG 3.49Å; E103-R128 IonicContact OE1-NH2 3.06Å
104T98.1Very high97.5Very high26 Ų2655.4 Ų55.416%0.1628%0.276CS..  trans-88165.317167.90000111.8K95 V99 P100 T101K95-T104 HydrophobicContact CD-CG2 4.48Å; K95-T104 HydrophobicContact CG-CG2 3.8Å; V99-T104 HydrophobicContact CG1-CG2 4.02Å; P100-T104 PolarHBondContact O-N 3Å; T101-T104 WeakPolarHBondContact O-CB 3.2Å; T101-T104 PolarHBondContact O-N 3.21Å; T101-T104 PolarHBondContact O-OG1 2.93Å
105F98.3Very high97.3Very high9 Ų958.5 Ų58.54%0.03929%0.292CS..  trans-121.6162.7-179.363.5-81.9000111.3L59 I87 F90 T91 D109 L110 S118 V119 C122L59-F105 HydrophobicContact CD1-CZ 4.17Å; I87-F105 HydrophobicContact CG2-CD2 4.36Å; I87-F105 HydrophobicContact CG2-CE2 3.43Å; I87-F105 VanDerWaalsContact CG2-CE2 3.43Å; I87-F105 HydrophobicContact CG2-CZ 3.94Å; F90-F105 HydrophobicContact CD1-CE1 4.23Å; F90-F105 HydrophobicContact CD1-CZ 4.15Å; F90-F105 AromaticContact CE1-CE1 3.99Å; F90-F105 HydrophobicContact CE1-CE1 3.99Å; F90-F105 HydrophobicContact CE1-CZ 4.28Å; T91-F105 HydrophobicContact CG2-CD1 3.99Å; T91-F105 HydrophobicContact CG2-CD2 4.47Å; T91-F105 HydrophobicContact CG2-CE1 3.69Å; T91-F105 HydrophobicContact CG2-CE2 4.21Å; T91-F105 HydrophobicContact CG2-CG 4.37Å; T91-F105 HydrophobicContact CG2-CZ 3.8Å; F105-D109 HydrophobicContact CB-CB 4.49Å; F105-L110 HydrophobicContact CD2-CB 4.24Å; F105-L110 HydrophobicContact CE2-CB 3.79Å; F105-L110 HydrophobicContact CE2-CD2 3.97Å; F105-L110 HydrophobicContact CZ-CD2 4.24Å; F105-S118 VanDerWaalsContact CB-OG 3.27Å; F105-S118 WeakPolarHBondContact CB-OG 3.41Å; F105-V119 HydrophobicContact CB-CG2 4.44Å; F105-V119 HydrophobicContact CD1-CG2 4.38Å; F105-V119 HydrophobicContact CD2-CG2 3.73Å; F105-V119 HydrophobicContact CE1-CG1 4.23Å; F105-V119 HydrophobicContact CE2-CG1 4.46Å; F105-V119 HydrophobicContact CE2-CG2 3.99Å; F105-V119 HydrophobicContact CG-CG2 3.95Å; F105-V119 HydrophobicContact CZ-CG1 4.16Å; F105-V119 HydrophobicContact CZ-CG2 4.43Å; F105-C122 HydrophobicContact CD1-CB 3.58Å; F105-C122 HydrophobicContact CE1-CB 3.91Å
106Q98.4Very high97.2Very high126 Ų12655.6 Ų55.659%0.58928%0.28SS*.  trans-87.5150.9173.3-49.5-171.4-91.200110.3V108 D109Q106-V108 HydrophobicContact CB-CG2 3.99Å; Q106-V108 PolarHBondContact O-N 3.41Å; Q106-V108 VanDerWaalsContact O-N 3.13Å; Q106-D109 WeakPolarHBondContact CA-OD2 3.49Å; Q106-D109 VanDerWaalsContact CB-OD2 3.24Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.13Å; Q106-D109 PolarHBondContact N-OD2 2.9Å; Q106-D109 WeakPolarHBondContact O-CB 3.4Å; Q106-D109 PolarHBondContact O-N 3.2Å
107S98.3Very high97.1Very high14 Ų1451.9 Ų51.910%0.09826%0.262CS..Hα-helixtrans-55.8-36.1-17935.30000114.1N88 D109 L110 F111N88-S107 WeakPolarHBondContact OD1-CB 3.5Å; N88-S107 PolarHBondContact OD1-OG 3.4Å; S107-D109 VanDerWaalsContact C-N 3.26Å; S107-D109 PolarHBondContact O-N 2.99Å; S107-L110 PolarHBondContact O-N 3.18Å; S107-F111 WeakPolarHBondContact O-CB 3.29Å; S107-F111 PolarHBondContact O-N 2.93Å
108V97.8Very high97Very high33 Ų3351.8 Ų51.820%0.226%0.263CS..Hα-helixtrans-63.6-28.2175.8-690000113.4M84 Q106 L110 E112M84-V108 HydrophobicContact CE-CG1 4.03Å; Q106-V108 HydrophobicContact CB-CG2 3.99Å; Q106-V108 PolarHBondContact O-N 3.41Å; Q106-V108 VanDerWaalsContact O-N 3.13Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 2.91Å; V108-E112 WeakPolarHBondContact O-CA 3.27Å; V108-E112 WeakPolarHBondContact O-CB 3.33Å; V108-E112 PolarHBondContact O-N 3.06Å
109D98Very high97.1Very high16 Ų1650 Ų509%0.08625%0.246CC..Hα-helixtrans-66.7-34.2-177.1-57.3-29.8000111.4F105 Q106 S107 N113 R114 D115F105-D109 HydrophobicContact CB-CB 4.49Å; Q106-D109 WeakPolarHBondContact CA-OD2 3.49Å; Q106-D109 VanDerWaalsContact CB-OD2 3.24Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.13Å; Q106-D109 PolarHBondContact N-OD2 2.9Å; Q106-D109 WeakPolarHBondContact O-CB 3.4Å; Q106-D109 PolarHBondContact O-N 3.2Å; S107-D109 VanDerWaalsContact C-N 3.26Å; S107-D109 PolarHBondContact O-N 2.99Å; D109-N113 CarbonylContact O-C 3.48Å; D109-N113 WeakPolarHBondContact O-CA 3.37Å; D109-R114 PolarHBondContact O-N 3.38Å; D109-R114 IonicContact OD1-CZ 2.76Å; D109-R114 IonicContact OD1-NE 3.74Å; D109-R114 PolarHBondContact OD1-NE 2.87Å; D109-R114 IonicContact OD1-NH2 2.6Å; D109-R114 PolarHBondContact OD1-NH2 3.47Å; D109-D115 HydrophobicContact CB-CB 4.09Å; D109-D115 PolarHBondContact O-N 3Å; D109-D115 VanDerWaalsContact O-N 3.12Å
110L98.5Very high97.1Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-89.2-51.4171.1178.954.6000112.5L53 L59 I87 F105 S107 V108 E112 N113 L116 V119L53-L110 HydrophobicContact CB-CD1 4.14Å; L53-L110 HydrophobicContact CB-CD2 4.04Å; L53-L110 WeakPolarHBondContact O-CD2 3.3Å; L59-L110 HydrophobicContact CD1-CD2 3.6Å; I87-L110 HydrophobicContact CD1-CB 4.33Å; I87-L110 HydrophobicContact CD1-CD2 4.16Å; I87-L110 HydrophobicContact CD1-CG 4.28Å; I87-L110 HydrophobicContact CG1-CD2 4.24Å; F105-L110 HydrophobicContact CD2-CB 4.24Å; F105-L110 HydrophobicContact CE2-CB 3.79Å; F105-L110 HydrophobicContact CE2-CD2 3.97Å; F105-L110 HydrophobicContact CZ-CD2 4.24Å; S107-L110 PolarHBondContact O-N 3.18Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 2.91Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.2Å; L110-N113 PolarHBondContact O-N 3.33Å; L110-N113 VanDerWaalsContact O-N 3.09Å; L110-L116 HydrophobicContact CD1-CD2 3.83Å; L110-V119 HydrophobicContact CB-CG2 3.85Å; L110-V119 HydrophobicContact CD1-CG1 4.4Å; L110-V119 HydrophobicContact CD1-CG2 4.36Å; L110-V119 HydrophobicContact CD2-CG1 4.36Å
111F98.2Very high97Very high19 Ų1949.5 Ų49.58%0.08324%0.242CC..Hα-helixtrans-61.3-42-172-178-101.6000112.5K54 N80 C83 M84 I87 S107K54-F111 WeakPolarHBondContact CE-O 3.3Å; K54-F111 HydrophobicContact CG-CD2 4.17Å; K54-F111 PolarHBondContact NZ-O 2.83Å; N80-F111 HydrophobicContact CB-CE1 3.97Å; N80-F111 HydrophobicContact CB-CE2 4.44Å; N80-F111 HydrophobicContact CB-CZ 3.58Å; N80-F111 VanDerWaalsContact CG-CZ 3.45Å; N80-F111 WeakPolarHBondContact OD1-CZ 3.47Å; C83-F111 HydrophobicContact CB-CD2 3.76Å; C83-F111 HydrophobicContact CB-CE2 3.63Å; M84-F111 HydrophobicContact CE-CD1 3.4Å; M84-F111 HydrophobicContact CE-CE1 3.87Å; M84-F111 HydrophobicContact CE-CG 4.13Å; M84-F111 HydrophobicContact CG-CD1 4.39Å; M84-F111 HydrophobicContact CG-CG 4.27Å; I87-F111 HydrophobicContact CD1-CB 4Å; S107-F111 WeakPolarHBondContact O-CB 3.29Å; S107-F111 PolarHBondContact O-N 2.93Å
112E97.1Very high97.1Very high110 Ų11045.4 Ų45.451%0.51422%0.217SC..THydrogen-bonded Turntrans-99.17.7177.6-54.7-175.9176.500112.4V108 L110 R114V108-E112 WeakPolarHBondContact O-CA 3.27Å; V108-E112 WeakPolarHBondContact O-CB 3.33Å; V108-E112 PolarHBondContact O-N 3.06Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.2Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 HydrophobicContact CB-CG 3.95Å; E112-R114 PolarHBondContact O-N 3.12Å
113N95.3Very high97.2Very high45 Ų4537.7 Ų37.724%0.24118%0.181CC..  trans5639.1178.1-174.721.2000113R46 V50 D109 L110 L116R46-N113 PolarHBondContact NE-ND2 3.16Å; R46-N113 PolarHBondContact NE-OD1 3.35Å; R46-N113 PolarHBondContact NH2-O 2.93Å; R46-N113 PolarHBondContact NH2-OD1 2.92Å; V50-N113 HydrophobicContact CG2-CB 4.38Å; D109-N113 CarbonylContact O-C 3.48Å; D109-N113 WeakPolarHBondContact O-CA 3.37Å; L110-N113 PolarHBondContact O-N 3.33Å; L110-N113 VanDerWaalsContact O-N 3.09Å; N113-L116 WeakPolarHBondContact OD1-CD1 3.29Å; N113-L116 VanDerWaalsContact OD1-CG 3.29Å; N113-L116 WeakPolarHBondContact OD1-CG 3.15Å
114R95.3Very high97.1Very high142 Ų14236 Ų3654%0.53617%0.173SC..SBendtrans-81.2-41.6-178.1-51.6-164.5-501696.5113D109 E112D109-R114 PolarHBondContact O-N 3.38Å; D109-R114 IonicContact OD1-CZ 2.76Å; D109-R114 IonicContact OD1-NE 3.74Å; D109-R114 PolarHBondContact OD1-NE 2.87Å; D109-R114 IonicContact OD1-NH2 2.6Å; D109-R114 PolarHBondContact OD1-NH2 3.47Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 HydrophobicContact CB-CG 3.95Å; E112-R114 PolarHBondContact O-N 3.12Å
115D95.5Very high97Very high65 Ų6534.9 Ų34.935%0.34817%0.166SC..  trans-148.684.3-177.1-177.42.7000111.3D109 Y117 S118D109-D115 HydrophobicContact CB-CB 4.09Å; D109-D115 PolarHBondContact O-N 3Å; D109-D115 VanDerWaalsContact O-N 3.12Å; D115-Y117 VanDerWaalsContact C-N 3.26Å; D115-Y117 PolarHBondContact O-N 2.99Å; D115-Y117 WeakPolarHBondContact OD1-CB 3.48Å; D115-Y117 PolarHBondContact OD1-N 2.9Å; D115-S118 PolarHBondContact O-OG 3.17Å; D115-S118 PolarHBondContact OD1-N 2.72Å; D115-S118 WeakPolarHBondContact OD2-CB 3.48Å
116L96.2Very high96.9Very high3 Ų334.5 Ų34.52%0.01617%0.165CC..Hα-helixtrans-74.6-16.6175.2-60.1178000113.5F20 R46 V50 L110 N113 V119 C120F20-L116 HydrophobicContact CB-CB 4.43Å; F20-L116 HydrophobicContact CD2-CB 3.44Å; F20-L116 VanDerWaalsContact CD2-CB 3.44Å; F20-L116 HydrophobicContact CD2-CD1 4.05Å; F20-L116 HydrophobicContact CD2-CG 4.45Å; F20-L116 HydrophobicContact CE2-CB 4.01Å; F20-L116 HydrophobicContact CE2-CD1 4.12Å; F20-L116 HydrophobicContact CG-CB 4.21Å; R46-L116 HydrophobicContact CG-CD1 3.49Å; R46-L116 VanDerWaalsContact CG-CD1 3.49Å; V50-L116 HydrophobicContact CG2-CD1 3.54Å; V50-L116 HydrophobicContact CG2-CD2 3.89Å; V50-L116 HydrophobicContact CG2-CG 4.28Å; L110-L116 HydrophobicContact CD1-CD2 3.83Å; N113-L116 WeakPolarHBondContact OD1-CD1 3.29Å; N113-L116 VanDerWaalsContact OD1-CG 3.29Å; N113-L116 WeakPolarHBondContact OD1-CG 3.15Å; L116-V119 HydrophobicContact CD2-CG2 4.32Å; L116-V119 WeakPolarHBondContact O-CB 3.39Å; L116-V119 PolarHBondContact O-N 3.05Å; L116-C120 PolarHBondContact O-N 3.05Å; L116-C120 PolarHBondContact O-SG 3.46Å
117Y95Very high96.8Very high80 Ų8028.5 Ų28.531%0.31414%0.137SC..Hα-helixtrans-64.2-45.8175168.4-97.7000109.6A17 K19 D115 V119 C120 V121A17-Y117 PolarHBondContact O-OH 3.14Å; A17-Y117 VanDerWaalsContact O-OH 3.06Å; K19-Y117 WeakPolarHBondContact O-CD2 3.48Å; D115-Y117 VanDerWaalsContact C-N 3.26Å; D115-Y117 PolarHBondContact O-N 2.99Å; D115-Y117 WeakPolarHBondContact OD1-CB 3.48Å; D115-Y117 PolarHBondContact OD1-N 2.9Å; Y117-V119 VanDerWaalsContact C-N 3.26Å; Y117-V119 PolarHBondContact O-N 3.06Å; Y117-C120 PolarHBondContact O-N 3.04Å; Y117-C120 VanDerWaalsContact O-N 3.14Å; Y117-V121 HydrophobicContact CD1-CG2 4.23Å; Y117-V121 HydrophobicContact CD2-CG2 4.47Å; Y117-V121 HydrophobicContact CE1-CG2 3.76Å; Y117-V121 HydrophobicContact CE2-CG2 4.06Å; Y117-V121 WeakPolarHBondContact O-CG2 3.19Å; Y117-V121 PolarHBondContact O-N 2.57Å
118S96.2Very high96.6Very high18 Ų1833.8 Ų33.813%0.12615%0.154CC..Hα-helixtrans-58.8-35.7173.772.90000113.2F105 D115 V121 C122F105-S118 VanDerWaalsContact CB-OG 3.27Å; F105-S118 WeakPolarHBondContact CB-OG 3.41Å; D115-S118 PolarHBondContact O-OG 3.17Å; D115-S118 PolarHBondContact OD1-N 2.72Å; D115-S118 WeakPolarHBondContact OD2-CB 3.48Å; S118-V121 PolarHBondContact O-N 2.69Å; S118-C122 PolarHBondContact O-N 3.31Å
119V98.1Very high96.3Very high0 Ų036.2 Ų36.20%016%0.162CC..Hα-helixtrans-64.4-45.9175.6-175.90000110.6F49 F105 L110 L116 Y117 C122 L123F49-V119 HydrophobicContact CE1-CB 4.44Å; F49-V119 HydrophobicContact CE1-CG1 3.94Å; F49-V119 HydrophobicContact CZ-CG1 4.32Å; F105-V119 HydrophobicContact CB-CG2 4.44Å; F105-V119 HydrophobicContact CD1-CG2 4.38Å; F105-V119 HydrophobicContact CD2-CG2 3.73Å; F105-V119 HydrophobicContact CE1-CG1 4.23Å; F105-V119 HydrophobicContact CE2-CG1 4.46Å; F105-V119 HydrophobicContact CE2-CG2 3.99Å; F105-V119 HydrophobicContact CG-CG2 3.95Å; F105-V119 HydrophobicContact CZ-CG1 4.16Å; F105-V119 HydrophobicContact CZ-CG2 4.43Å; L110-V119 HydrophobicContact CB-CG2 3.85Å; L110-V119 HydrophobicContact CD1-CG1 4.4Å; L110-V119 HydrophobicContact CD1-CG2 4.36Å; L110-V119 HydrophobicContact CD2-CG1 4.36Å; L116-V119 HydrophobicContact CD2-CG2 4.32Å; L116-V119 WeakPolarHBondContact O-CB 3.39Å; L116-V119 PolarHBondContact O-N 3.05Å; Y117-V119 VanDerWaalsContact C-N 3.26Å; Y117-V119 PolarHBondContact O-N 3.06Å; V119-C122 PolarHBondContact O-N 3.13Å; V119-L123 HydrophobicContact CG1-CD1 3.96Å; V119-L123 WeakPolarHBondContact O-CG 3.35Å; V119-L123 PolarHBondContact O-N 2.77Å; V119-L123 VanDerWaalsContact O-N 3.07Å
120C96.8Very high96.1Very high0 Ų035.4 Ų35.40%016%0.158CC..Hα-helixtrans-62.5-45.1175.6-69.90000111.7I28 L116 Y117 C122 L123 L124I28-C120 HydrophobicContact CD1-CB 3.77Å; L116-C120 PolarHBondContact O-N 3.05Å; L116-C120 PolarHBondContact O-SG 3.46Å; Y117-C120 PolarHBondContact O-N 3.04Å; Y117-C120 VanDerWaalsContact O-N 3.14Å; C120-C122 VanDerWaalsContact C-N 3.31Å; C120-C122 PolarHBondContact O-N 3.27Å; C120-L123 PolarHBondContact O-N 3.02Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.37Å; C120-L124 PolarHBondContact O-N 3.15Å
121V95.9Very high95.6Very high32 Ų3236.6 Ų36.619%0.19417%0.168CC..Hα-helixtrans-55.3-46.7176.1168.90000111.1E103 Y117 S118 L123 S125E103-V121 HydrophobicContact CB-CG1 4.03Å; E103-V121 HydrophobicContact CG-CG1 4.11Å; Y117-V121 HydrophobicContact CD1-CG2 4.23Å; Y117-V121 HydrophobicContact CD2-CG2 4.47Å; Y117-V121 HydrophobicContact CE1-CG2 3.76Å; Y117-V121 HydrophobicContact CE2-CG2 4.06Å; Y117-V121 WeakPolarHBondContact O-CG2 3.19Å; Y117-V121 PolarHBondContact O-N 2.57Å; S118-V121 PolarHBondContact O-N 2.69Å; V121-L123 PolarHBondContact O-N 3.26Å; V121-S125 VanDerWaalsContact O-CB 3.28Å; V121-S125 WeakPolarHBondContact O-CB 3.24Å; V121-S125 PolarHBondContact O-N 2.71Å
122C98.2Very high95.1Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-61.3-45.5177.8-175.30000112.4E103 F105 S118 V119 C120 S125 L126E103-C122 WeakPolarHBondContact O-CA 3.27Å; E103-C122 WeakPolarHBondContact O-CB 3.37Å; E103-C122 PolarHBondContact O-N 2.9Å; F105-C122 HydrophobicContact CD1-CB 3.58Å; F105-C122 HydrophobicContact CE1-CB 3.91Å; S118-C122 PolarHBondContact O-N 3.31Å; V119-C122 PolarHBondContact O-N 3.13Å; C120-C122 VanDerWaalsContact C-N 3.31Å; C120-C122 PolarHBondContact O-N 3.27Å; C122-S125 PolarHBondContact O-N 3.44Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 PolarHBondContact O-N 3.49Å
123L98.4Very high94.6Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-70.1-40.1-178.3-73.9164.5000112.1I28 W31 I32 F49 L53 L59 L62 F90 V119 C120 V121 L126 G127I28-L123 HydrophobicContact CD1-CB 4.18Å; I28-L123 HydrophobicContact CG1-CB 4.26Å; I28-L123 HydrophobicContact CG2-CB 3.86Å; I28-L123 HydrophobicContact CG2-CD1 3.64Å; I28-L123 HydrophobicContact CG2-CG 4.24Å; W31-L123 HydrophobicContact CZ3-CD2 4.17Å; I32-L123 HydrophobicContact CD1-CD1 4.46Å; I32-L123 HydrophobicContact CD1-CD2 4.37Å; F49-L123 HydrophobicContact CZ-CD1 3.97Å; L53-L123 HydrophobicContact CD1-CD1 3.99Å; L59-L123 HydrophobicContact CD2-CD1 4.27Å; L59-L123 HydrophobicContact CD2-CD2 3.84Å; L62-L123 HydrophobicContact CD2-CD2 3.84Å; F90-L123 HydrophobicContact CE1-CD2 4.18Å; F90-L123 HydrophobicContact CZ-CD2 3.64Å; V119-L123 HydrophobicContact CG1-CD1 3.96Å; V119-L123 WeakPolarHBondContact O-CG 3.35Å; V119-L123 PolarHBondContact O-N 2.77Å; V119-L123 VanDerWaalsContact O-N 3.07Å; C120-L123 PolarHBondContact O-N 3.02Å; V121-L123 PolarHBondContact O-N 3.26Å; L123-L126 PolarHBondContact O-N 3.35Å; L123-G127 PolarHBondContact O-N 2.98Å
124L95.8Very high94Very high19 Ų1941.8 Ų41.810%0.09923%0.229CC..Hα-helixtrans-64.2-42.6173.1-70.2167.6000111.2E24 I28 C120 G127 R128 I138E24-L124 HydrophobicContact CB-CD1 4.41Å; I28-L124 HydrophobicContact CD1-CD1 4.48Å; I28-L124 HydrophobicContact CD1-CD2 4.27Å; I28-L124 HydrophobicContact CD1-CG 3.95Å; I28-L124 HydrophobicContact CG1-CD2 3.95Å; I28-L124 HydrophobicContact CG1-CG 4.11Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.37Å; C120-L124 PolarHBondContact O-N 3.15Å; L124-G127 PolarHBondContact O-N 2.94Å; L124-R128 WeakPolarHBondContact O-CG 3.31Å; L124-R128 PolarHBondContact O-N 3.22Å; L124-I138 HydrophobicContact CD2-CD1 3.93Å; L124-I138 HydrophobicContact CD2-CG2 4.17Å
125S95.6Very high93.3Very high2 Ų238.3 Ų38.31%0.01422%0.218CC..Hα-helixtrans-59.6-48.6174.4-175.50000111.4E103 V121 C122 G127 R128 K129E103-S125 WeakPolarHBondContact OE2-CB 3.16Å; E103-S125 PolarHBondContact OE2-OG 3.49Å; V121-S125 VanDerWaalsContact O-CB 3.28Å; V121-S125 WeakPolarHBondContact O-CB 3.24Å; V121-S125 PolarHBondContact O-N 2.71Å; C122-S125 PolarHBondContact O-N 3.44Å; S125-G127 VanDerWaalsContact C-N 3.34Å; S125-G127 PolarHBondContact O-N 3.3Å; S125-R128 PolarHBondContact O-N 3.4Å; S125-K129 VanDerWaalsContact O-CG 3.31Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 3.36Å
126L97.1Very high92.4Very high0 Ų038.6 Ų38.60%022%0.224CC..Hα-helixtrans-58.9-46.6176-177.959.4000111.3W31 L62 I66 F90 F97 V99 C122 L123 R128 K129 M130W31-L126 HydrophobicContact CH2-CB 4.17Å; W31-L126 HydrophobicContact CH2-CD2 3.92Å; W31-L126 HydrophobicContact CH2-CG 3.83Å; L62-L126 HydrophobicContact CD2-CD2 4.28Å; I66-L126 HydrophobicContact CD1-CD1 4.44Å; I66-L126 HydrophobicContact CD1-CD2 3.99Å; I66-L126 HydrophobicContact CD1-CG 4.23Å; F90-L126 HydrophobicContact CE2-CD2 3.8Å; F90-L126 HydrophobicContact CZ-CD2 3.82Å; F97-L126 HydrophobicContact CB-CD1 3.66Å; F97-L126 HydrophobicContact CD2-CD1 3.66Å; F97-L126 HydrophobicContact CG-CD1 4.08Å; V99-L126 HydrophobicContact CG2-CB 3.81Å; V99-L126 HydrophobicContact CG2-CD1 4.05Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 PolarHBondContact O-N 3.49Å; L123-L126 PolarHBondContact O-N 3.35Å; L126-R128 VanDerWaalsContact C-N 3.35Å; L126-R128 PolarHBondContact O-N 2.92Å; L126-K129 PolarHBondContact O-N 3.49Å; L126-M130 HydrophobicContact CD1-CE 3.96Å; L126-M130 HydrophobicContact CD1-CG 4.27Å; L126-M130 HydrophobicContact CG-CG 4.46Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 2.85Å
127G94.6Very high91.7Very high0 Ų038.7 Ų38.70%023%0.225CC..Hα-helixtrans-57.1-44.6176.700000112.6L123 L124 S125 M130 A131 G137 I138L123-G127 PolarHBondContact O-N 2.98Å; L124-G127 PolarHBondContact O-N 2.94Å; S125-G127 VanDerWaalsContact C-N 3.34Å; S125-G127 PolarHBondContact O-N 3.3Å; G127-M130 PolarHBondContact O-N 3.16Å; G127-A131 PolarHBondContact O-N 3.34Å; G127-G137 WeakPolarHBondContact O-CA 3.47Å; G127-I138 PolarHBondContact O-N 3.06Å; G127-I138 VanDerWaalsContact O-N 3.11Å
128R93.9Very high91Very high125 Ų12535.7 Ų35.747%0.47221%0.214SC..Hα-helixtrans-64.1-42.9175.2-71.8-173.4-60.4-102.95.7112E103 L124 S125 L126 M130 A131 A132E103-R128 IonicContact OE1-NH2 3.06Å; L124-R128 WeakPolarHBondContact O-CG 3.31Å; L124-R128 PolarHBondContact O-N 3.22Å; S125-R128 PolarHBondContact O-N 3.4Å; L126-R128 VanDerWaalsContact C-N 3.35Å; L126-R128 PolarHBondContact O-N 2.92Å; R128-M130 VanDerWaalsContact C-N 3.34Å; R128-A131 PolarHBondContact O-N 2.93Å; R128-A132 WeakPolarHBondContact O-CB 3.39Å; R128-A132 PolarHBondContact O-N 3.08Å
129K92.8Very high89.3Confident84 Ų8437.8 Ų37.837%0.36523%0.226SC..Hα-helixtrans-62.3-42.3176.2-67.2-67.3176.7173.40111.2G98 S125 L126 A132 L133G98-K129 WeakPolarHBondContact O-CE 3.06Å; S125-K129 VanDerWaalsContact O-CG 3.31Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 3.36Å; L126-K129 PolarHBondContact O-N 3.49Å; K129-A132 PolarHBondContact O-N 3.05Å; K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 2.95Å; K129-L133 VanDerWaalsContact O-N 3.15Å
130M92.5Very high87.2Confident0 Ų040.5 Ų40.50%026%0.255CS..Hα-helixtrans-64.7-44.5177.8-69.5-49.598.200111.8W31 I66 F97 L126 G127 R128 A132 L133 G134 K135W31-M130 HydrophobicContact CZ2-CG 4.38Å; I66-M130 HydrophobicContact CB-SD 4.36Å; I66-M130 HydrophobicContact CD1-CG 3.84Å; I66-M130 HydrophobicContact CD1-SD 4.19Å; I66-M130 HydrophobicContact CG1-CG 4.21Å; I66-M130 HydrophobicContact CG1-SD 4.27Å; I66-M130 HydrophobicContact CG2-CE 4.45Å; I66-M130 HydrophobicContact CG2-CG 4.26Å; I66-M130 HydrophobicContact CG2-SD 3.23Å; I66-M130 WeakPolarHBondContact CG2-SD 3.34Å; F97-M130 HydrophobicContact CB-CE 3.73Å; F97-M130 HydrophobicContact CG-CE 4.15Å; L126-M130 HydrophobicContact CD1-CE 3.96Å; L126-M130 HydrophobicContact CD1-CG 4.27Å; L126-M130 HydrophobicContact CG-CG 4.46Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 2.85Å; G127-M130 PolarHBondContact O-N 3.16Å; R128-M130 VanDerWaalsContact C-N 3.34Å; M130-A132 VanDerWaalsContact C-N 3.33Å; M130-A132 PolarHBondContact O-N 2.9Å; M130-L133 HydrophobicContact CE-CD1 3.82Å; M130-L133 CarbonylContact O-C 3.44Å; M130-L133 PolarHBondContact O-N 3.3Å; M130-L133 VanDerWaalsContact O-N 3.07Å; M130-G134 PolarHBondContact O-N 2.97Å; M130-K135 CarbonylContact C-O 3.53Å; M130-K135 HydrophobicContact CB-CB 4.1Å; M130-K135 WeakPolarHBondContact O-CA 3.35Å; M130-K135 WeakPolarHBondContact O-CB 3.41Å; M130-K135 PolarHBondContact O-N 3.37Å; M130-K135 HydrophobicContact SD-CB 4.33Å; M130-K135 HydrophobicContact SD-CD 3.81Å
131A89.4Confident84.7Confident25 Ų2550.1 Ų50.121%0.20730%0.296CS..Hα-helixtrans-59.1-43.5175.300000112.2G127 R128 L133 G134 T139G127-A131 PolarHBondContact O-N 3.34Å; R128-A131 PolarHBondContact O-N 2.93Å; A131-L133 PolarHBondContact O-N 3.39Å; A131-G134 PolarHBondContact O-N 3.47Å; A131-T139 HydrophobicContact CB-CG2 3.55Å
132A88Confident82.1Confident89 Ų8953.1 Ų53.174%0.73632%0.315SS*.Hα-helixtrans-63.3-25.7177.100000113.3R128 K129 M130 G134R128-A132 WeakPolarHBondContact O-CB 3.39Å; R128-A132 PolarHBondContact O-N 3.08Å; K129-A132 PolarHBondContact O-N 3.05Å; M130-A132 VanDerWaalsContact C-N 3.33Å; M130-A132 PolarHBondContact O-N 2.9Å; A132-G134 VanDerWaalsContact C-N 3.32Å
133L86.5Confident79.5Confident119 Ų11957.6 Ų57.662%0.62334%0.335SS*.THydrogen-bonded Turntrans-89.16174.9-65174000113.2K129 M130 A131 K135K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 2.95Å; K129-L133 VanDerWaalsContact O-N 3.15Å; M130-L133 HydrophobicContact CE-CD1 3.82Å; M130-L133 CarbonylContact O-C 3.44Å; M130-L133 PolarHBondContact O-N 3.3Å; M130-L133 VanDerWaalsContact O-N 3.07Å; A131-L133 PolarHBondContact O-N 3.39Å; L133-K135 HydrophobicContact CB-CG 4.47Å; L133-K135 PolarHBondContact O-N 3.42Å
134G82.8Confident76.9Confident74 Ų7461.3 Ų61.376%0.76336%0.361SS*.THydrogen-bonded Turntrans70.714.3-176.300000114.1M130 A131 A132M130-G134 PolarHBondContact O-N 2.97Å; A131-G134 PolarHBondContact O-N 3.47Å; A132-G134 VanDerWaalsContact C-N 3.32Å
135K81Confident74.3Confident69 Ų6966.9 Ų66.930%0.338%0.381SS..SBendtrans-91.3161.2173.5-65.1-171.6174.4-1650110.2I66 M130 L133 G137I66-K135 HydrophobicContact CG2-CD 4.22Å; I66-K135 PolarHBondContact O-NZ 3.35Å; M130-K135 CarbonylContact C-O 3.53Å; M130-K135 HydrophobicContact CB-CB 4.1Å; M130-K135 WeakPolarHBondContact O-CA 3.35Å; M130-K135 WeakPolarHBondContact O-CB 3.41Å; M130-K135 PolarHBondContact O-N 3.37Å; M130-K135 HydrophobicContact SD-CB 4.33Å; M130-K135 HydrophobicContact SD-CD 3.81Å; L133-K135 HydrophobicContact CB-CG 4.47Å; L133-K135 PolarHBondContact O-N 3.42Å; K135-G137 PolarHBondContact O-N 2.78Å
136P76.5Confident71.6Confident72 Ų7273.1 Ų73.147%0.46842%0.419SS..SBendtrans-53.2114.5172.9-27.236.5000111.3W31 V35W31-P136 PolarHBondContact NE1-O 2.95Å; V35-P136 HydrophobicContact CG2-CB 3.66Å
137G80.3Confident68.9Low4 Ų477.8 Ų77.84%0.04144%0.443CS..  trans-143.4174.4-171.400000112.5W31 G127 K135W31-G137 VanDerWaalsContact NE1-CA 3.33Å; G127-G137 WeakPolarHBondContact O-CA 3.47Å; K135-G137 PolarHBondContact O-N 2.78Å
138I79.8Confident66.2Low17 Ų1783.3 Ų83.39%0.08748%0.479CS..  trans-91.3103175.9-58.8175.5000107.4I28 W31 L124 G127I28-I138 HydrophobicContact CG1-CD1 4.03Å; W31-I138 HydrophobicContact CB-CD1 4.02Å; W31-I138 HydrophobicContact CB-CG1 3.69Å; W31-I138 HydrophobicContact CD2-CD1 3.87Å; W31-I138 HydrophobicContact CD2-CG1 3.69Å; W31-I138 HydrophobicContact CE3-CD1 3.66Å; W31-I138 HydrophobicContact CE3-CG1 4.04Å; W31-I138 HydrophobicContact CG-CD1 4.04Å; W31-I138 HydrophobicContact CG-CG1 3.51Å; W31-I138 HydrophobicContact CZ3-CD1 4.38Å; L124-I138 HydrophobicContact CD2-CD1 3.93Å; L124-I138 HydrophobicContact CD2-CG2 4.17Å; G127-I138 PolarHBondContact O-N 3.06Å; G127-I138 VanDerWaalsContact O-N 3.11Å
139T61.3Low63Low62 Ų6287 Ų8738%0.3850%0.502SS..  trans-103.4125.4161.982.90000106.8A131 K141 T142A131-T139 HydrophobicContact CB-CG2 3.55Å; T139-K141 PolarHBondContact O-N 3.42Å; T139-T142 PolarHBondContact O-N 3.09Å; T139-T142 VanDerWaalsContact O-N 3.17Å; T139-T142 PolarHBondContact OG1-O 2.97Å
140G53.7Low60.6Low58 Ų5891.2 Ų91.260%0.59855%0.552SS**THydrogen-bonded Turntrans-61.812.3-162.100000118
141K44.5Very low59Low201 Ų20195.8 Ų95.887%0.87458%0.58SS**THydrogen-bonded Turntrans-148.6-1.8166-71.5-160.7174173.20116.5T139T139-K141 PolarHBondContact O-N 3.42Å
142T40.7Very low57.4Low96 Ų9699.5 Ų99.559%0.58960%0.599SS**  trans-154111.9-177.2-37.80000110.7T139 S144T139-T142 PolarHBondContact O-N 3.09Å; T139-T142 VanDerWaalsContact O-N 3.17Å; T139-T142 PolarHBondContact OG1-O 2.97Å; T142-S144 PolarHBondContact O-N 3.1Å
143F44.9Very low55.7Low94 Ų94100.1 Ų100.141%0.41259%0.592SS.*  trans-54.5102.5159-88.9-108.6000108E30 W31 A34 Y145E30-F143 HydrophobicContact CB-CE2 4.18Å; E30-F143 HydrophobicContact CB-CZ 3.71Å; W31-F143 HydrophobicContact CB-CE1 4.31Å; W31-F143 HydrophobicContact CB-CZ 3.99Å; A34-F143 HydrophobicContact CB-CD1 4.26Å; A34-F143 HydrophobicContact CB-CE1 3.74Å; F143-Y145 PolarHBondContact O-N 3.1Å
144S43.5Very low53.9Low78 Ų7898.9 Ų98.955%0.54559%0.59SS.*  trans-75.580.6169.5590000107.3T142T142-S144 PolarHBondContact O-N 3.1Å
145Y42.1Very low52.1Low136 Ų136100.5 Ų100.553%0.53358%0.579SS.*  trans-82.8119.2174.3-156.2-115.9000108.6F143 I147F143-Y145 PolarHBondContact O-N 3.1Å; Y145-I147 HydrophobicContact CD1-CD1 4.38Å; Y145-I147 HydrophobicContact CD1-CG1 3.69Å; Y145-I147 HydrophobicContact CE1-CB 4.41Å; Y145-I147 HydrophobicContact CE1-CD1 3.29Å; Y145-I147 HydrophobicContact CE1-CG1 2.96Å; Y145-I147 HydrophobicContact CE2-CG1 4.17Å; Y145-I147 VanDerWaalsContact CZ-CD1 3.46Å; Y145-I147 WeakPolarHBondContact OH-CD1 3.45Å; Y145-I147 VanDerWaalsContact OH-CG1 3.31Å; Y145-I147 WeakPolarHBondContact OH-CG1 3.45Å
146T37.8Very low50.1Low132 Ų132102.6 Ų102.681%0.8160%0.598SS**  trans-13498.2154-580000106.1
147I41Very low48.2Very low99 Ų99104.8 Ų104.851%0.50861%0.607SS.*PPolyproline II helixtrans-62.9133.5164.5-45-171.1000106.8Y145 Q149Y145-I147 HydrophobicContact CD1-CD1 4.38Å; Y145-I147 HydrophobicContact CD1-CG1 3.69Å; Y145-I147 HydrophobicContact CE1-CB 4.41Å; Y145-I147 HydrophobicContact CE1-CD1 3.29Å; Y145-I147 HydrophobicContact CE1-CG1 2.96Å; Y145-I147 HydrophobicContact CE2-CG1 4.17Å; Y145-I147 VanDerWaalsContact CZ-CD1 3.46Å; Y145-I147 WeakPolarHBondContact OH-CD1 3.45Å; Y145-I147 VanDerWaalsContact OH-CG1 3.31Å; Y145-I147 WeakPolarHBondContact OH-CG1 3.45Å; I147-Q149 PolarHBondContact O-N 2.92Å
148P36.9Very low45.8Very low116 Ų116112.5 Ų112.575%0.75365%0.65SS**PPolyproline II helixtrans-54.2122.8163.1-2131.9000110A150P148-A150 PolarHBondContact O-N 3.04Å
149Q27.6Very low42.9Very low202 Ų202120.5 Ų120.594%0.94470%0.697SS**PPolyproline II helixtrans-70.3117166-64.7-175.142.800108.3I147I147-Q149 PolarHBondContact O-N 2.92Å
150A41.1Very low41.3Very low172 Ų172125.8 Ų125.8100%1.42173%0.726SS**  trans-156.10152.900000109P148P148-A150 PolarHBondContact O-N 3.04Å

Retrieved 150 of 150 residues in 45.4 ms (Link to these results)

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