A0A087YN26_POEFO Loading...

PX domain containing 1

AlphaFold DB , UniProt , Accession A0A087YN26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M36.6Very low43.5Very low247 Ų247132.1 Ų132.1100%1.21779%0.79SS**  099.20-71.4-159.4-78.900107.6
2A34.7Very low44.5Very low108 Ų108130.2 Ų130.289%0.89378%0.779SS**  trans-91.7103.9175.800000107.4A4A2-A4 PolarHBondContact O-N 3.42Å
3S43.5Very low46.6Very low99 Ų99128.8 Ų128.869%0.69277%0.765SS**  trans-68116.6166.5-177.50000106.8V5S3-V5 PolarHBondContact O-N 3.1Å
4A42.4Very low49.6Very low100 Ų100123.5 Ų123.583%0.82673%0.73SS**  trans-66.291.3166.200000107.4A2 F6A2-A4 PolarHBondContact O-N 3.42Å; A4-F6 PolarHBondContact O-N 2.68Å
5V46.9Very low52.5Low120 Ų120119.5 Ų119.573%0.72770%0.7SS**  trans-77.2108.7168.8178.70000105.5S3 E7S3-V5 PolarHBondContact O-N 3.1Å; V5-E7 PolarHBondContact O-N 3.24Å
6F48.5Very low55.3Low173 Ų173112.6 Ų112.676%0.75966%0.66SS**  trans-71.9111.7177.9-148.9-94.3000108.3A4 G8A4-F6 PolarHBondContact O-N 2.68Å; F6-G8 PolarHBondContact O-N 3.41Å
7E49.9Very low57.7Low201 Ų201114.9 Ų114.994%0.93966%0.655SS**  trans-94.483.3179.9-155168.5-149.600107.9V5V5-E7 PolarHBondContact O-N 3.24Å
8G38.6Very low60Low37 Ų37111.2 Ų111.238%0.38163%0.632SS.*  trans-140.2126.7178.400000109.7F6 S10F6-G8 PolarHBondContact O-N 3.41Å; G8-S10 PolarHBondContact O-N 3.05Å
9T41.3Very low62Low126 Ų126105.3 Ų105.377%0.77360%0.599SS**THydrogen-bonded Turntrans-32.9115.9-173.152.70000115.3L11T9-L11 PolarHBondContact O-N 3.3Å
10S45.9Very low63.8Low123 Ų123103.5 Ų103.586%0.8658%0.582SS**THydrogen-bonded Turntrans37.829.7149.9-162.20000119.4G8G8-S10 PolarHBondContact O-N 3.05Å
11L50Low65.4Low119 Ų11999.2 Ų99.262%0.62356%0.558SS**  trans-1126167.6-77.2163.8000111T9 N13 M14T9-L11 PolarHBondContact O-N 3.3Å; L11-N13 PolarHBondContact O-N 3.16Å; L11-M14 HydrophobicContact CD2-CE 4.42Å; L11-M14 HydrophobicContact CD2-SD 4.28Å; L11-M14 PolarHBondContact O-N 3.09Å
12V55.2Low68.2Low109 Ų10991.7 Ų91.766%0.66152%0.523SS*.THydrogen-bonded Turntrans-64.1-3-161-166.50000114.5
13N72.3Confident71.1Confident112 Ų11287.1 Ų87.160%0.59949%0.487SS*.THydrogen-bonded Turntrans-136.118.9177.2-92.5-35.7000113.8L11 F15 S46 R120L11-N13 PolarHBondContact O-N 3.16Å; N13-F15 WeakPolarHBondContact O-CD1 3.5Å; N13-F15 PolarHBondContact O-N 2.83Å; N13-S46 PolarHBondContact O-OG 3.31Å; N13-R120 PolarHBondContact OD1-NH1 3.44Å
14M88.1Confident73.5Confident55 Ų5584.6 Ų84.627%0.27147%0.465SS..  trans-75.5124.2173-162164.583.200109.6L11 W45 S46L11-M14 HydrophobicContact CD2-CE 4.42Å; L11-M14 HydrophobicContact CD2-SD 4.28Å; L11-M14 PolarHBondContact O-N 3.09Å; M14-W45 HydrophobicContact CE-CE3 4.1Å; M14-W45 HydrophobicContact CE-CH2 4.27Å; M14-W45 HydrophobicContact CE-CZ3 3.64Å; M14-W45 HydrophobicContact CG-CE3 3.58Å; M14-W45 HydrophobicContact CG-CZ3 3.8Å; M14-W45 HydrophobicContact SD-CE3 4.2Å; M14-W45 HydrophobicContact SD-CZ3 4.32Å; M14-S46 WeakPolarHBondContact CA-OG 3.49Å
15F94.2Very high75.9Confident63 Ų6383 Ų8328%0.27644%0.438SS..  trans-148159177.264.4-89.5000111N13 R17 W45 S46 R120N13-F15 WeakPolarHBondContact O-CD1 3.5Å; N13-F15 PolarHBondContact O-N 2.83Å; F15-R17 HydrophobicContact CE2-CB 4.29Å; F15-R17 PolarHBondContact O-N 3.07Å; F15-W45 CarbonylContact O-C 3.55Å; F15-W45 WeakPolarHBondContact O-CA 3.49Å; F15-S46 PolarHBondContact N-OG 2.86Å; F15-S46 PolarHBondContact O-N 3.13Å; F15-R120 HydrophobicContact CB-CG 4.02Å
16V96.9Very high78.1Confident9 Ų985.1 Ų85.16%0.05543%0.432CS..EExtended strand (participates in β ladder)trans-79.3119.1172.1-176.20000108.6T43 W45 I112 F128V16-T43 HydrophobicContact CG1-CG2 4.43Å; V16-W45 HydrophobicContact CG2-CD2 4.09Å; V16-W45 HydrophobicContact CG2-CE3 4.21Å; V16-W45 HydrophobicContact CG2-CH2 4.09Å; V16-W45 HydrophobicContact CG2-CZ2 3.9Å; V16-W45 HydrophobicContact CG2-CZ3 4.22Å; V16-I112 HydrophobicContact CB-CG2 3.94Å; V16-I112 HydrophobicContact CG1-CG2 3.93Å; V16-F128 HydrophobicContact CB-CD2 4.46Å; V16-F128 HydrophobicContact CG2-CB 3.63Å; V16-F128 HydrophobicContact CG2-CD1 4.44Å; V16-F128 HydrophobicContact CG2-CD2 3.66Å; V16-F128 HydrophobicContact CG2-CE2 4.39Å; V16-F128 HydrophobicContact CG2-CG 3.67Å
17R96.8Very high80Confident153 Ų15378.2 Ų78.258%0.57740%0.403SS*.EExtended strand (participates in β ladder)trans-80.8-42.9-178.8-175.7179.3179.1-106.7-9111.8F15 E44F15-R17 HydrophobicContact CE2-CB 4.29Å; F15-R17 PolarHBondContact O-N 3.07Å; R17-E44 WeakPolarHBondContact CA-O 3.08Å; R17-E44 WeakPolarHBondContact CB-O 3.41Å; R17-E44 WeakPolarHBondContact CD-OE1 3.47Å; R17-E44 IonicContact CZ-OE1 2.99Å; R17-E44 PolarHBondContact N-O 3.2Å; R17-E44 IonicContact NE-OE1 3.64Å; R17-E44 IonicContact NH1-OE1 2.75Å; R17-E44 PolarHBondContact NH1-OE1 3.08Å; R17-E44 IonicContact NH1-OE2 3.99Å
18D97.8Very high81.8Confident47 Ų4774.3 Ų74.325%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-155.8161.9179.6-156.5-2.7000111.3W20 T43 E44D18-W20 HydrophobicContact CB-CH2 3.53Å; D18-W20 HydrophobicContact CB-CZ2 4.02Å; D18-W20 HydrophobicContact CB-CZ3 3.92Å; D18-W20 WeakPolarHBondContact OD2-CH2 3.41Å; D18-W20 WeakPolarHBondContact OD2-CZ2 3.38Å; D18-T43 WeakPolarHBondContact O-CA 3.48Å; D18-E44 PolarHBondContact N-O 3.42Å; D18-E44 PolarHBondContact O-N 2.7Å
19C97.8Very high83.9Confident0 Ų076.8 Ų76.80%039%0.391CS..EExtended strand (participates in β ladder)trans-148.1149.6177.165.60000112.8I41 R42 T43 L108 K109C19-I41 HydrophobicContact CB-CG2 4.46Å; C19-R42 CarbonylContact C-O 3.59Å; C19-R42 WeakPolarHBondContact CA-O 3.02Å; C19-T43 HydrophobicContact CB-CG2 4.22Å; C19-L108 VanDerWaalsContact SG-CB 3.5Å; C19-K109 WeakPolarHBondContact O-CE 3.44Å
20W98.3Very high85.8Confident68 Ų6872.2 Ų72.226%0.25836%0.364SS..EExtended strand (participates in β ladder)trans-135.2148.6177.4-57.6-94.3000109.9D18 I41 R42 E44 E105D18-W20 HydrophobicContact CB-CH2 3.53Å; D18-W20 HydrophobicContact CB-CZ2 4.02Å; D18-W20 HydrophobicContact CB-CZ3 3.92Å; D18-W20 WeakPolarHBondContact OD2-CH2 3.41Å; D18-W20 WeakPolarHBondContact OD2-CZ2 3.38Å; W20-I41 CarbonylContact O-C 3.51Å; W20-I41 WeakPolarHBondContact O-CA 3.37Å; W20-R42 HydrophobicContact CE3-CB 4.42Å; W20-R42 HydrophobicContact CE3-CG 4.16Å; W20-R42 VanDerWaalsContact CH2-NH1 3.29Å; W20-R42 PolarHBondContact N-O 2.85Å; W20-R42 PolarHBondContact O-N 3.44Å; W20-E44 HydrophobicContact CH2-CB 4.27Å; W20-E44 HydrophobicContact CZ3-CB 3.98Å; W20-E105 WeakPolarHBondContact CA-OE2 3.33Å
21V98Very high87.5Confident14 Ų1476.4 Ų76.49%0.08537%0.37CS..EExtended strand (participates in β ladder)trans-109.8111.8174.9-166.50000108.5F39 E40 I41 L101 V104 E105 L108V21-F39 HydrophobicContact CG1-CB 4.05Å; V21-E40 CarbonylContact C-O 3.55Å; V21-I41 HydrophobicContact CG2-CG1 4.43Å; V21-L101 HydrophobicContact CB-CD2 4.38Å; V21-L101 HydrophobicContact CG1-CD2 3.49Å; V21-L101 VanDerWaalsContact CG1-CD2 3.49Å; V21-V104 HydrophobicContact CG1-CG1 4.45Å; V21-V104 HydrophobicContact CG2-CB 4.27Å; V21-V104 HydrophobicContact CG2-CG1 3.87Å; V21-E105 HydrophobicContact CB-CB 4.25Å; V21-E105 HydrophobicContact CG2-CB 3.67Å; V21-E105 HydrophobicContact CG2-CG 4.3Å; V21-E105 PolarHBondContact N-OE2 2.97Å; V21-L108 HydrophobicContact CG2-CD1 4.03Å
22N95.1Very high89.2Confident90 Ų9081.5 Ų81.548%0.48138%0.381SS..EExtended strand (participates in β ladder)trans-89.2-21.6-170.1-59.9-26.6000113.1E40N22-E40 PolarHBondContact N-O 3.26Å
23G95.1Very high90.5Very high12 Ų1278.3 Ų78.312%0.12437%0.37CS..EExtended strand (participates in β ladder)trans172.8-176-174.100000113.7E40G23-E40 PolarHBondContact O-N 2.96Å
24I94.5Very high91.2Very high45 Ų4578.1 Ų78.123%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-124.5133.3175.8-51.8-172.1000108.2E37 F38 F39 I97 K100 L101I24-E37 HydrophobicContact CG2-CB 3.87Å; I24-E37 HydrophobicContact CG2-CG 4.01Å; I24-F38 CarbonylContact C-O 3.04Å; I24-F38 WeakPolarHBondContact CA-O 3.31Å; I24-F39 HydrophobicContact CD1-CD1 4.04Å; I24-F39 HydrophobicContact CD1-CE1 3.71Å; I24-F39 HydrophobicContact CG1-CD1 3.89Å; I24-F39 HydrophobicContact CG1-CE1 4.1Å; I24-I97 HydrophobicContact CD1-CG2 4.12Å; I24-I97 HydrophobicContact CG1-CG2 4.48Å; I24-K100 HydrophobicContact CD1-CD 4.06Å; I24-L101 HydrophobicContact CD1-CD2 4.12Å; I24-L101 HydrophobicContact CD1-CG 4.35Å; I24-L101 HydrophobicContact CG1-CD2 3.54Å; I24-L101 HydrophobicContact CG1-CG 4.15Å
25R92.7Very high91.3Very high68 Ų6881.4 Ų81.426%0.25738%0.38SS..EExtended strand (participates in β ladder)trans-116.7125.5173-172.2171-179.9-172.9-8.5109.4L27 F38 E40 D140R25-L27 HydrophobicContact CG-CD2 3.9Å; R25-L27 HydrophobicContact CG-CG 4.27Å; R25-F38 PolarHBondContact N-O 3.14Å; R25-F38 PolarHBondContact O-N 3.12Å; R25-E40 HydrophobicContact CB-CG 4.37Å; R25-D140 IonicContact NH2-OD2 3.96Å; R25-D140 PolarHBondContact NH2-OD2 2.68Å; R25-D140 VanDerWaalsContact NH2-OD2 3.08Å
26R92.3Very high91.2Very high163 Ų16380.6 Ų80.662%0.61538%0.378SS*.EExtended strand (participates in β ladder)trans-88130.6170.9-75.1179.4-176-163.33.5109.8E36 E37R26-E36 WeakPolarHBondContact CA-O 3.32Å; R26-E37 HydrophobicContact CG-CG 3.62Å; R26-E37 IonicContact CZ-OE1 3.18Å; R26-E37 IonicContact NE-OE1 2.66Å; R26-E37 PolarHBondContact NE-OE1 2.96Å; R26-E37 IonicContact NH2-OE1 2.75Å; R26-E37 PolarHBondContact NH2-OE1 2.92Å
27L89Confident91.1Very high28 Ų2882.6 Ų82.615%0.14739%0.386CS..EExtended strand (participates in β ladder)trans-128.9141.1179.9-60.4177.6000109.9R25 I29 E35 E36 F38 L133 L137R25-L27 HydrophobicContact CG-CD2 3.9Å; R25-L27 HydrophobicContact CG-CG 4.27Å; L27-I29 PolarHBondContact O-N 2.72Å; L27-E35 CarbonylContact O-C 3.59Å; L27-E35 VanDerWaalsContact O-CA 3.31Å; L27-E35 WeakPolarHBondContact O-CA 3.39Å; L27-E36 PolarHBondContact N-O 2.89Å; L27-E36 PolarHBondContact O-N 3.05Å; L27-F38 HydrophobicContact CB-CD2 4.07Å; L27-F38 HydrophobicContact CB-CE2 3.99Å; L27-F38 HydrophobicContact CD1-CD2 3.63Å; L27-F38 HydrophobicContact CD1-CE2 3.89Å; L27-F38 HydrophobicContact CD1-CG 4.23Å; L27-F38 HydrophobicContact CG-CD2 3.93Å; L27-F38 HydrophobicContact CG-CE2 4.27Å; L27-L133 HydrophobicContact CD1-CD1 4.12Å; L27-L133 HydrophobicContact CD1-CD2 4.39Å; L27-L137 HydrophobicContact CD1-CD1 3.86Å; L27-L137 HydrophobicContact CD1-CD2 4.1Å; L27-L137 HydrophobicContact CD2-CD2 4.25Å
28I87.5Confident91.1Very high119 Ų11976 Ų7661%0.6136%0.362SS*.EExtended strand (participates in β ladder)trans-78.9115.2170-59.7168.5000107.6S30 E34 E35I28-S30 WeakPolarHBondContact CG2-O 3.48Å; I28-E34 CarbonylContact C-O 3.56Å; I28-E34 WeakPolarHBondContact CA-O 3.43Å; I28-E35 HydrophobicContact CG1-CG 4.01Å
29I83.6Confident91.1Very high89 Ų8973.8 Ų73.846%0.45635%0.35SS..  trans-103.3-11.5-172.755.4155.2000113.7L27 E34 E36 F38L27-I29 PolarHBondContact O-N 2.72Å; I29-E34 HydrophobicContact CG1-CB 4.42Å; I29-E34 WeakPolarHBondContact CG1-O 3.37Å; I29-E34 PolarHBondContact N-O 2.88Å; I29-E36 HydrophobicContact CD1-CB 3.76Å; I29-E36 WeakPolarHBondContact CD1-OE2 3.45Å; I29-E36 HydrophobicContact CG1-CB 4.04Å; I29-E36 HydrophobicContact CG2-CB 3.89Å; I29-F38 HydrophobicContact CG2-CE2 3.86Å; I29-F38 HydrophobicContact CG2-CZ 4.07Å
30S80.6Confident91Very high30 Ų3076.5 Ų76.521%0.2136%0.363CS..SBendtrans-132.1153.3179.882.20000112.4I28 R32 G33 E34I28-S30 WeakPolarHBondContact CG2-O 3.48Å; S30-R32 PolarHBondContact O-N 2.83Å; S30-R32 PolarHBondContact OG-N 3.07Å; S30-G33 PolarHBondContact O-N 3.08Å; S30-E34 WeakPolarHBondContact CB-OE2 3.27Å; S30-E34 VanDerWaalsContact OG-CB 3.27Å; S30-E34 WeakPolarHBondContact OG-CB 3.41Å; S30-E34 WeakPolarHBondContact OG-CG 3.46Å; S30-E34 PolarHBondContact OG-N 3.26Å; S30-E34 PolarHBondContact OG-OE2 3.12Å
31Q80.9Confident91Very high211 Ų21173.4 Ų73.499%0.98635%0.351SS*.THydrogen-bonded Turntrans-60.9-15.7174.5-65.4-179.6-2.300112.8G33Q31-G33 VanDerWaalsContact C-N 3.27Å
32R86.3Confident91Very high226 Ų22675.4 Ų75.485%0.85336%0.357SS*.THydrogen-bonded Turntrans-83.8-2.5176.6-61.7-179.2178.3-174.8-1.3112.9S30S30-R32 PolarHBondContact O-N 2.83Å; S30-R32 PolarHBondContact OG-N 3.07Å
33G83.8Confident91.2Very high42 Ų4271.1 Ų71.143%0.43333%0.334SS..  trans83.419.5-178.800000113.9S30 Q31 E35S30-G33 PolarHBondContact O-N 3.08Å; Q31-G33 VanDerWaalsContact C-N 3.27Å; G33-E35 PolarHBondContact O-N 3.43Å
34E86.9Confident91.3Very high109 Ų10972.2 Ų72.251%0.50934%0.336SS..  trans-70130.1174.6-64.5167.3157.200109.8I28 I29 S30I28-E34 CarbonylContact C-O 3.56Å; I28-E34 WeakPolarHBondContact CA-O 3.43Å; I29-E34 HydrophobicContact CG1-CB 4.42Å; I29-E34 WeakPolarHBondContact CG1-O 3.37Å; I29-E34 PolarHBondContact N-O 2.88Å; S30-E34 WeakPolarHBondContact CB-OE2 3.27Å; S30-E34 VanDerWaalsContact OG-CB 3.27Å; S30-E34 WeakPolarHBondContact OG-CB 3.41Å; S30-E34 WeakPolarHBondContact OG-CG 3.46Å; S30-E34 PolarHBondContact OG-N 3.26Å; S30-E34 PolarHBondContact OG-OE2 3.12Å
35E89.9Confident91.4Very high123 Ų12370.4 Ų70.458%0.57533%0.326SS*.EExtended strand (participates in β ladder)trans-98.6139177.1-65.6-176.9179.500110.7L27 I28 G33L27-E35 CarbonylContact O-C 3.59Å; L27-E35 VanDerWaalsContact O-CA 3.31Å; L27-E35 WeakPolarHBondContact O-CA 3.39Å; I28-E35 HydrophobicContact CG1-CG 4.01Å; G33-E35 PolarHBondContact O-N 3.43Å
36E92.5Very high91.5Very high47 Ų4769.3 Ų69.322%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-125.1142.7170.2-173.1170.5-161.700110.2R26 L27 I29 F38 S56 S58R26-E36 WeakPolarHBondContact CA-O 3.32Å; L27-E36 PolarHBondContact N-O 2.89Å; L27-E36 PolarHBondContact O-N 3.05Å; I29-E36 HydrophobicContact CD1-CB 3.76Å; I29-E36 WeakPolarHBondContact CD1-OE2 3.45Å; I29-E36 HydrophobicContact CG1-CB 4.04Å; I29-E36 HydrophobicContact CG2-CB 3.89Å; E36-F38 HydrophobicContact CB-CE2 3.88Å; E36-F38 HydrophobicContact CB-CZ 4.39Å; E36-F38 HydrophobicContact CG-CE2 4.04Å; E36-F38 HydrophobicContact CG-CZ 4.26Å; E36-F38 WeakPolarHBondContact O-CD2 3.48Å; E36-S56 WeakPolarHBondContact OE1-CB 3.3Å; E36-S56 PolarHBondContact OE1-OG 2.7Å; E36-S58 PolarHBondContact OE1-OG 2.67Å
37E94Very high91.6Very high51 Ų5165.3 Ų65.324%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-87.8129.4175.4-74.8-178.5158.700110.9I24 R26 S56 K100I24-E37 HydrophobicContact CG2-CB 3.87Å; I24-E37 HydrophobicContact CG2-CG 4.01Å; R26-E37 HydrophobicContact CG-CG 3.62Å; R26-E37 IonicContact CZ-OE1 3.18Å; R26-E37 IonicContact NE-OE1 2.66Å; R26-E37 PolarHBondContact NE-OE1 2.96Å; R26-E37 IonicContact NH2-OE1 2.75Å; R26-E37 PolarHBondContact NH2-OE1 2.92Å; E37-S56 WeakPolarHBondContact O-CA 3.48Å; E37-S56 WeakPolarHBondContact O-CB 3.38Å; E37-K100 IonicContact OE2-NZ 3.79Å; E37-K100 PolarHBondContact OE2-NZ 2.66Å
38F96.4Very high91.9Very high13 Ų1374 Ų746%0.05735%0.351CS..EExtended strand (participates in β ladder)trans-116.7129.3174.7-67.6-94000110.2I24 R25 L27 I29 E36 H54 L133I24-F38 CarbonylContact C-O 3.04Å; I24-F38 WeakPolarHBondContact CA-O 3.31Å; R25-F38 PolarHBondContact N-O 3.14Å; R25-F38 PolarHBondContact O-N 3.12Å; L27-F38 HydrophobicContact CB-CD2 4.07Å; L27-F38 HydrophobicContact CB-CE2 3.99Å; L27-F38 HydrophobicContact CD1-CD2 3.63Å; L27-F38 HydrophobicContact CD1-CE2 3.89Å; L27-F38 HydrophobicContact CD1-CG 4.23Å; L27-F38 HydrophobicContact CG-CD2 3.93Å; L27-F38 HydrophobicContact CG-CE2 4.27Å; I29-F38 HydrophobicContact CG2-CE2 3.86Å; I29-F38 HydrophobicContact CG2-CZ 4.07Å; E36-F38 HydrophobicContact CB-CE2 3.88Å; E36-F38 HydrophobicContact CB-CZ 4.39Å; E36-F38 HydrophobicContact CG-CE2 4.04Å; E36-F38 HydrophobicContact CG-CZ 4.26Å; E36-F38 WeakPolarHBondContact O-CD2 3.48Å; F38-H54 HydrophobicContact CB-CB 4.12Å; F38-H54 HydrophobicContact CD1-CB 4.3Å; F38-L133 HydrophobicContact CD1-CD2 3.68Å; F38-L133 HydrophobicContact CE1-CD2 3.43Å; F38-L133 VanDerWaalsContact CE1-CD2 3.43Å; F38-L133 HydrophobicContact CG-CD2 4.37Å; F38-L133 HydrophobicContact CZ-CD2 3.95Å
39F97.3Very high92.2Very high2 Ų272.7 Ų72.71%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-78128172.1-55.9-70.1000109.8V21 I24 I41 H54 R55 L60 I91 K100 L101 V104V21-F39 HydrophobicContact CG1-CB 4.05Å; I24-F39 HydrophobicContact CD1-CD1 4.04Å; I24-F39 HydrophobicContact CD1-CE1 3.71Å; I24-F39 HydrophobicContact CG1-CD1 3.89Å; I24-F39 HydrophobicContact CG1-CE1 4.1Å; F39-I41 HydrophobicContact CB-CD1 4.47Å; F39-I41 HydrophobicContact CB-CG1 4.23Å; F39-I41 PolarHBondContact O-N 3.28Å; F39-H54 WeakPolarHBondContact O-CA 3.43Å; F39-R55 VanDerWaalsContact CD2-O 3.26Å; F39-R55 WeakPolarHBondContact CD2-O 3.48Å; F39-R55 PolarHBondContact N-O 3.21Å; F39-R55 PolarHBondContact O-N 3.31Å; F39-L60 HydrophobicContact CD2-CD1 4.35Å; F39-L60 HydrophobicContact CE2-CD1 4.16Å; F39-I91 HydrophobicContact CZ-CG2 4.17Å; F39-K100 HydrophobicContact CE1-CD 4.32Å; F39-K100 HydrophobicContact CE1-CG 4.13Å; F39-K100 HydrophobicContact CZ-CG 4.4Å; F39-L101 HydrophobicContact CD1-CD2 4.29Å; F39-V104 HydrophobicContact CB-CG1 4.4Å; F39-V104 HydrophobicContact CD1-CG1 4.46Å; F39-V104 HydrophobicContact CD1-CG2 3.93Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.12Å; F39-V104 HydrophobicContact CE1-CG2 3.63Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å; F39-V104 HydrophobicContact CG-CG1 4.09Å; F39-V104 HydrophobicContact CG-CG2 4.17Å; F39-V104 HydrophobicContact CZ-CG2 3.57Å
40E97Very high92.8Very high57 Ų5771.6 Ų71.627%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-83.1104.5174.5-62-168.9150.600109.3V21 N22 G23 R25 L53 H54V21-E40 CarbonylContact C-O 3.55Å; N22-E40 PolarHBondContact N-O 3.26Å; G23-E40 PolarHBondContact O-N 2.96Å; R25-E40 HydrophobicContact CB-CG 4.37Å; E40-L53 CarbonylContact C-O 3.56Å; E40-L53 WeakPolarHBondContact CA-O 3.37Å; E40-H54 IonicContact OE1-NE2 2.64Å
41I98.2Very high93.5Very high2 Ų271 Ų711%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-107.1126.1-173.3-57.5161.3000109.1C19 W20 V21 F39 T43 Y52 L53 R55 L108C19-I41 HydrophobicContact CB-CG2 4.46Å; W20-I41 CarbonylContact O-C 3.51Å; W20-I41 WeakPolarHBondContact O-CA 3.37Å; V21-I41 HydrophobicContact CG2-CG1 4.43Å; F39-I41 HydrophobicContact CB-CD1 4.47Å; F39-I41 HydrophobicContact CB-CG1 4.23Å; F39-I41 PolarHBondContact O-N 3.28Å; I41-T43 HydrophobicContact CG2-CG2 3.89Å; I41-Y52 CarbonylContact O-C 3.59Å; I41-Y52 WeakPolarHBondContact O-CA 3.35Å; I41-L53 HydrophobicContact CB-CB 4.33Å; I41-L53 PolarHBondContact N-O 3.27Å; I41-L53 PolarHBondContact O-N 3.37Å; I41-R55 HydrophobicContact CD1-CB 3.79Å; I41-R55 HydrophobicContact CD1-CG 3.8Å; I41-L108 HydrophobicContact CD1-CD1 3.64Å; I41-L108 HydrophobicContact CG1-CD1 3.9Å; I41-L108 HydrophobicContact CG2-CD1 3.98Å
42R97.9Very high94.2Very high57 Ų5766.7 Ų66.722%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-95.7131.1165.9178.1179.9176.1-92.9-2.6108.7C19 W20 I50 L51 Y52C19-R42 CarbonylContact C-O 3.59Å; C19-R42 WeakPolarHBondContact CA-O 3.02Å; W20-R42 HydrophobicContact CE3-CB 4.42Å; W20-R42 HydrophobicContact CE3-CG 4.16Å; W20-R42 VanDerWaalsContact CH2-NH1 3.29Å; W20-R42 PolarHBondContact N-O 2.85Å; W20-R42 PolarHBondContact O-N 3.44Å; R42-I50 HydrophobicContact CG-CG2 3.83Å; R42-L51 CarbonylContact C-O 3.59Å; R42-L51 WeakPolarHBondContact CA-O 3.49Å; R42-Y52 HydrophobicContact CB-CD1 4.2Å; R42-Y52 HydrophobicContact CB-CE1 4.1Å; R42-Y52 HydrophobicContact CG-CD1 4.41Å; R42-Y52 HydrophobicContact CG-CE1 3.99Å
43T98.1Very high94.8Very high0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-123.1141.5175.462.80000110.9V16 D18 C19 I41 W45 I50 L51 L53 F128V16-T43 HydrophobicContact CG1-CG2 4.43Å; D18-T43 WeakPolarHBondContact O-CA 3.48Å; C19-T43 HydrophobicContact CB-CG2 4.22Å; I41-T43 HydrophobicContact CG2-CG2 3.89Å; T43-W45 PolarHBondContact OG1-NE1 3.29Å; T43-I50 VanDerWaalsContact O-CA 3.29Å; T43-I50 WeakPolarHBondContact O-CA 3.49Å; T43-L51 PolarHBondContact N-O 3.4Å; T43-L51 PolarHBondContact O-N 3.14Å; T43-L51 WeakPolarHBondContact OG1-CB 3.39Å; T43-L53 HydrophobicContact CG2-CD1 3.78Å; T43-F128 HydrophobicContact CG2-CD1 3.59Å; T43-F128 HydrophobicContact CG2-CE1 4.09Å; T43-F128 HydrophobicContact CG2-CG 4.49Å
44E98Very high95.4Very high35 Ų3554.5 Ų54.516%0.16425%0.251CS..EExtended strand (participates in β ladder)trans-106.9127168.1-176.1-178.2149.600109.3R17 D18 W20R17-E44 WeakPolarHBondContact CA-O 3.08Å; R17-E44 WeakPolarHBondContact CB-O 3.41Å; R17-E44 WeakPolarHBondContact CD-OE1 3.47Å; R17-E44 IonicContact CZ-OE1 2.99Å; R17-E44 PolarHBondContact N-O 3.2Å; R17-E44 IonicContact NE-OE1 3.64Å; R17-E44 IonicContact NH1-OE1 2.75Å; R17-E44 PolarHBondContact NH1-OE1 3.08Å; R17-E44 IonicContact NH1-OE2 3.99Å; D18-E44 PolarHBondContact N-O 3.42Å; D18-E44 PolarHBondContact O-N 2.7Å; W20-E44 HydrophobicContact CH2-CB 4.27Å; W20-E44 HydrophobicContact CZ3-CB 3.98Å
45W96.7Very high95.9Very high6 Ų650 Ų502%0.02323%0.229CC..EExtended strand (participates in β ladder)trans-96.4164.1178.8-7273.7000111.7M14 F15 V16 T43 D47 R48 N49 L51 L125 F128 E129M14-W45 HydrophobicContact CE-CE3 4.1Å; M14-W45 HydrophobicContact CE-CH2 4.27Å; M14-W45 HydrophobicContact CE-CZ3 3.64Å; M14-W45 HydrophobicContact CG-CE3 3.58Å; M14-W45 HydrophobicContact CG-CZ3 3.8Å; M14-W45 HydrophobicContact SD-CE3 4.2Å; M14-W45 HydrophobicContact SD-CZ3 4.32Å; F15-W45 CarbonylContact O-C 3.55Å; F15-W45 WeakPolarHBondContact O-CA 3.49Å; V16-W45 HydrophobicContact CG2-CD2 4.09Å; V16-W45 HydrophobicContact CG2-CE3 4.21Å; V16-W45 HydrophobicContact CG2-CH2 4.09Å; V16-W45 HydrophobicContact CG2-CZ2 3.9Å; V16-W45 HydrophobicContact CG2-CZ3 4.22Å; T43-W45 PolarHBondContact OG1-NE1 3.29Å; W45-D47 VanDerWaalsContact CB-OD1 3.24Å; W45-D47 WeakPolarHBondContact CB-OD1 3.49Å; W45-D47 PolarHBondContact O-N 2.93Å; W45-D47 VanDerWaalsContact O-N 3.14Å; W45-R48 WeakPolarHBondContact O-CA 3.43Å; W45-R48 PolarHBondContact O-N 2.94Å; W45-N49 HydrophobicContact CB-CB 4.39Å; W45-N49 PolarHBondContact N-O 3.4Å; W45-L51 HydrophobicContact CZ2-CD1 4.01Å; W45-L125 HydrophobicContact CH2-CB 4.44Å; W45-L125 HydrophobicContact CH2-CD2 4.39Å; W45-L125 HydrophobicContact CZ3-CD2 4.06Å; W45-F128 HydrophobicContact CH2-CB 4.26Å; W45-F128 HydrophobicContact CZ2-CB 3.67Å; W45-F128 WeakPolarHBondContact CZ2-O 3.45Å; W45-E129 HydrophobicContact CH2-CG 4.21Å; W45-E129 HydrophobicContact CZ2-CG 4.44Å
46S95.8Very high96.2Very high45 Ų4544.2 Ų44.232%0.31520%0.202SC..THydrogen-bonded Turntrans-58.5-24.5-17955.30000114.4N13 M14 F15 R48N13-S46 PolarHBondContact O-OG 3.31Å; M14-S46 WeakPolarHBondContact CA-OG 3.49Å; F15-S46 PolarHBondContact N-OG 2.86Å; F15-S46 PolarHBondContact O-N 3.13Å; S46-R48 VanDerWaalsContact C-N 3.28Å
47D94.2Very high96.3Very high79 Ų7945.9 Ų45.942%0.42221%0.207SC..THydrogen-bonded Turntrans-89.29.8174.664.2-4.5000113.2W45 N49W45-D47 VanDerWaalsContact CB-OD1 3.24Å; W45-D47 WeakPolarHBondContact CB-OD1 3.49Å; W45-D47 PolarHBondContact O-N 2.93Å; W45-D47 VanDerWaalsContact O-N 3.14Å; D47-N49 VanDerWaalsContact CG-ND2 3.31Å; D47-N49 PolarHBondContact O-N 2.73Å; D47-N49 WeakPolarHBondContact OD1-CB 3.3Å; D47-N49 PolarHBondContact OD1-N 3.08Å; D47-N49 PolarHBondContact OD2-ND2 3.45Å
48R93.8Very high96.3Very high212 Ų21246.5 Ų46.580%0.822%0.217SC*.SBendtrans67.89.7-174.8-48.3178.4-179-175.9-0.5114.4W45 S46 I50W45-R48 WeakPolarHBondContact O-CA 3.43Å; W45-R48 PolarHBondContact O-N 2.94Å; S46-R48 VanDerWaalsContact C-N 3.28Å; R48-I50 PolarHBondContact O-N 3.45Å
49N94.5Very high96.3Very high90 Ų9047.8 Ų47.848%0.48123%0.225SC..  trans-66.4136.1171.6-81.1-38.1000110.7W45 D47W45-N49 HydrophobicContact CB-CB 4.39Å; W45-N49 PolarHBondContact N-O 3.4Å; D47-N49 VanDerWaalsContact CG-ND2 3.31Å; D47-N49 PolarHBondContact O-N 2.73Å; D47-N49 WeakPolarHBondContact OD1-CB 3.3Å; D47-N49 PolarHBondContact OD1-N 3.08Å; D47-N49 PolarHBondContact OD2-ND2 3.45Å
50I96.4Very high96.3Very high67 Ų6747.7 Ų47.734%0.34422%0.224SC..EExtended strand (participates in β ladder)trans-106.5123.4175.3-61.3165000108.6R42 T43 R48 Y52R42-I50 HydrophobicContact CG-CG2 3.83Å; T43-I50 VanDerWaalsContact O-CA 3.29Å; T43-I50 WeakPolarHBondContact O-CA 3.49Å; R48-I50 PolarHBondContact O-N 3.45Å; I50-Y52 HydrophobicContact CG2-CD2 4.41Å; I50-Y52 HydrophobicContact CG2-CE2 3.79Å
51L95.7Very high96.2Very high16 Ų1646.3 Ų46.38%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-110.9149172.8-44.7-176.3000109.9R42 T43 W45 L53 F128 R130R42-L51 CarbonylContact C-O 3.59Å; R42-L51 WeakPolarHBondContact CA-O 3.49Å; T43-L51 PolarHBondContact N-O 3.4Å; T43-L51 PolarHBondContact O-N 3.14Å; T43-L51 WeakPolarHBondContact OG1-CB 3.39Å; W45-L51 HydrophobicContact CZ2-CD1 4.01Å; L51-L53 HydrophobicContact CB-CD2 3.98Å; L51-L53 HydrophobicContact CB-CG 4.35Å; L51-L53 HydrophobicContact CD1-CD2 4.49Å; L51-F128 WeakPolarHBondContact CD1-O 3.44Å; L51-R130 HydrophobicContact CD1-CG 4.46Å; L51-R130 HydrophobicContact CD2-CG 4.47Å; L51-R130 VanDerWaalsContact CD2-NH1 3.3Å; L51-R130 VanDerWaalsContact CD2-NH2 3.29Å
52Y95.9Very high96Very high121 Ų12152.6 Ų52.648%0.47525%0.249SC..EExtended strand (participates in β ladder)trans-118.4120.6171.2-65.5-91.7000106.9I41 R42 I50I41-Y52 CarbonylContact O-C 3.59Å; I41-Y52 WeakPolarHBondContact O-CA 3.35Å; R42-Y52 HydrophobicContact CB-CD1 4.2Å; R42-Y52 HydrophobicContact CB-CE1 4.1Å; R42-Y52 HydrophobicContact CG-CD1 4.41Å; R42-Y52 HydrophobicContact CG-CE1 3.99Å; I50-Y52 HydrophobicContact CG2-CD2 4.41Å; I50-Y52 HydrophobicContact CG2-CE2 3.79Å
53L97.2Very high95.9Very high1 Ų150.1 Ų50.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-123.9155.8-170-48.1173.8000110E40 I41 T43 L51 F128 R130 D134E40-L53 CarbonylContact C-O 3.56Å; E40-L53 WeakPolarHBondContact CA-O 3.37Å; I41-L53 HydrophobicContact CB-CB 4.33Å; I41-L53 PolarHBondContact N-O 3.27Å; I41-L53 PolarHBondContact O-N 3.37Å; T43-L53 HydrophobicContact CG2-CD1 3.78Å; L51-L53 HydrophobicContact CB-CD2 3.98Å; L51-L53 HydrophobicContact CB-CG 4.35Å; L51-L53 HydrophobicContact CD1-CD2 4.49Å; L53-F128 HydrophobicContact CD1-CB 4.29Å; L53-F128 HydrophobicContact CD1-CD1 4.08Å; L53-F128 WeakPolarHBondContact CD1-O 3.29Å; L53-R130 HydrophobicContact CD2-CG 4.41Å; L53-D134 VanDerWaalsContact CA-OD1 3.27Å; L53-D134 WeakPolarHBondContact CA-OD1 3.29Å
54H96.6Very high95.7Very high12 Ų1250.3 Ų50.36%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-126.2117175.8-57.279.8000107F38 F39 E40 L133 D134 L137F38-H54 HydrophobicContact CB-CB 4.12Å; F38-H54 HydrophobicContact CD1-CB 4.3Å; F39-H54 WeakPolarHBondContact O-CA 3.43Å; E40-H54 IonicContact OE1-NE2 2.64Å; H54-L133 HydrophobicContact CB-CD2 4.18Å; H54-D134 IonicContact CG-OD1 3.79Å; H54-D134 PolarHBondContact N-OD1 3.49Å; H54-D134 IonicContact ND1-OD1 2.68Å; H54-D134 PolarHBondContact ND1-OD1 2.75Å; H54-L137 HydrophobicContact CB-CD1 3.96Å; H54-L137 VanDerWaalsContact CD2-CD1 3.49Å; H54-L137 WeakPolarHBondContact CD2-CD1 3.18Å; H54-L137 VanDerWaalsContact CG-CD1 3.41Å
55R97.3Very high95.5Very high13 Ų1355 Ų555%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-131.7136-178.5-63-66.1179.1-93.5-1.7109.6F39 I41 D59 F127 E129 S131 D134F39-R55 VanDerWaalsContact CD2-O 3.26Å; F39-R55 WeakPolarHBondContact CD2-O 3.48Å; F39-R55 PolarHBondContact N-O 3.21Å; F39-R55 PolarHBondContact O-N 3.31Å; I41-R55 HydrophobicContact CD1-CB 3.79Å; I41-R55 HydrophobicContact CD1-CG 3.8Å; R55-D59 HydrophobicContact CB-CB 4.3Å; R55-F127 HydrophobicContact CB-CE2 4.27Å; R55-F127 HydrophobicContact CB-CZ 3.98Å; R55-F127 HydrophobicContact CG-CE1 4.28Å; R55-F127 HydrophobicContact CG-CE2 3.91Å; R55-F127 HydrophobicContact CG-CZ 3.62Å; R55-F127 PolarHBondContact NE-O 2.93Å; R55-F127 PolarHBondContact NH2-O 3.16Å; R55-E129 PolarHBondContact NH2-O 3.13Å; R55-S131 PolarHBondContact NH1-OG 2.96Å; R55-D134 IonicContact CZ-OD2 2.73Å; R55-D134 IonicContact NH1-OD1 2.75Å; R55-D134 IonicContact NH1-OD2 2.74Å; R55-D134 PolarHBondContact NH1-OD2 2.66Å; R55-D134 IonicContact NH2-OD2 3.08Å
56S96Very high95.4Very high2 Ų260.8 Ų60.81%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-88.7169.8175.583.40000111.7E36 E37 S58 D59 L60E36-S56 WeakPolarHBondContact OE1-CB 3.3Å; E36-S56 PolarHBondContact OE1-OG 2.7Å; E37-S56 WeakPolarHBondContact O-CA 3.48Å; E37-S56 WeakPolarHBondContact O-CB 3.38Å; S56-S58 PolarHBondContact O-N 2.64Å; S56-S58 WeakPolarHBondContact OG-CB 3.47Å; S56-S58 PolarHBondContact OG-N 2.71Å; S56-D59 PolarHBondContact N-OD2 3.24Å; S56-D59 WeakPolarHBondContact O-CB 3.49Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 VanDerWaalsContact O-N 3.14Å; S56-D59 PolarHBondContact OG-N 3.21Å; S56-L60 PolarHBondContact O-N 3.32Å
57Y95.3Very high95.2Very high82 Ų8258.7 Ų58.732%0.32227%0.267SS..Hα-helixtrans-56.2-37.2170.6-177.5-92.2000111.8D59 L60 G61 L88 I91 K92Y57-D59 VanDerWaalsContact C-N 3.32Å; Y57-D59 PolarHBondContact O-N 3.4Å; Y57-L60 WeakPolarHBondContact O-CB 3.46Å; Y57-L60 PolarHBondContact O-N 3.3Å; Y57-G61 PolarHBondContact O-N 3.31Å; Y57-G61 VanDerWaalsContact O-N 3.09Å; Y57-L88 HydrophobicContact CE2-CB 4.47Å; Y57-L88 HydrophobicContact CE2-CD2 4.21Å; Y57-L88 VanDerWaalsContact CE2-O 3.3Å; Y57-L88 WeakPolarHBondContact CE2-O 3.49Å; Y57-L88 PolarHBondContact OH-O 2.78Å; Y57-I91 HydrophobicContact CD2-CB 4.37Å; Y57-I91 HydrophobicContact CD2-CG2 3.77Å; Y57-I91 HydrophobicContact CE2-CB 4.07Å; Y57-I91 HydrophobicContact CE2-CG2 3.96Å; Y57-K92 HydrophobicContact CE2-CB 4.33Å
58S94.6Very high95.1Very high65 Ų6556.2 Ų56.246%0.45525%0.254SS..Hα-helixtrans-63.8-37.3177.6-53.30000112E36 S56 G61 R62E36-S58 PolarHBondContact OE1-OG 2.67Å; S56-S58 PolarHBondContact O-N 2.64Å; S56-S58 WeakPolarHBondContact OG-CB 3.47Å; S56-S58 PolarHBondContact OG-N 2.71Å; S58-G61 PolarHBondContact O-N 2.89Å; S58-R62 WeakPolarHBondContact O-CB 3.44Å; S58-R62 PolarHBondContact O-N 3.43Å
59D96.7Very high95.1Very high40 Ų4051.7 Ų51.721%0.21424%0.242CC..Hα-helixtrans-65.2-41.6176.2-65.6-37.1000111.8R55 S56 Y57 G61 R62 L63 F127R55-D59 HydrophobicContact CB-CB 4.3Å; S56-D59 PolarHBondContact N-OD2 3.24Å; S56-D59 WeakPolarHBondContact O-CB 3.49Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 VanDerWaalsContact O-N 3.14Å; S56-D59 PolarHBondContact OG-N 3.21Å; Y57-D59 VanDerWaalsContact C-N 3.32Å; Y57-D59 PolarHBondContact O-N 3.4Å; D59-G61 VanDerWaalsContact C-N 3.35Å; D59-G61 PolarHBondContact O-N 2.81Å; D59-R62 PolarHBondContact O-N 3.11Å; D59-L63 PolarHBondContact O-N 3.22Å; D59-F127 HydrophobicContact CB-CE2 4.12Å
60L95.8Very high95.1Very high0 Ų050.2 Ų50.20%024%0.239CC..Hα-helixtrans-60.7-44.5174.6-63.3170.9000111.2F39 S56 Y57 R62 L63 F64 L88 I91 V104 L107 L108 F127F39-L60 HydrophobicContact CD2-CD1 4.35Å; F39-L60 HydrophobicContact CE2-CD1 4.16Å; S56-L60 PolarHBondContact O-N 3.32Å; Y57-L60 WeakPolarHBondContact O-CB 3.46Å; Y57-L60 PolarHBondContact O-N 3.3Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.21Å; L60-L63 WeakPolarHBondContact O-CB 3.26Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-F64 WeakPolarHBondContact O-CD2 3.32Å; L60-F64 PolarHBondContact O-N 3.04Å; L60-L88 HydrophobicContact CB-CD2 3.75Å; L60-I91 HydrophobicContact CD1-CD1 4.13Å; L60-V104 HydrophobicContact CD1-CG1 4.32Å; L60-L107 HydrophobicContact CD1-CD2 4.08Å; L60-L107 HydrophobicContact CD2-CD2 4.2Å; L60-L108 HydrophobicContact CD2-CD2 3.84Å; L60-F127 HydrophobicContact CD2-CE1 4.41Å; L60-F127 HydrophobicContact CD2-CE2 4.21Å; L60-F127 HydrophobicContact CD2-CZ 3.59Å
61G94.8Very high95Very high27 Ų2749 Ų4928%0.27823%0.231SC..Hα-helixtrans-59.8-42.6174.400000112.7Y57 S58 D59 F64 K65Y57-G61 PolarHBondContact O-N 3.31Å; Y57-G61 VanDerWaalsContact O-N 3.09Å; S58-G61 PolarHBondContact O-N 2.89Å; D59-G61 VanDerWaalsContact C-N 3.35Å; D59-G61 PolarHBondContact O-N 2.81Å; G61-F64 PolarHBondContact O-N 3.16Å; G61-K65 WeakPolarHBondContact O-CB 3.27Å; G61-K65 PolarHBondContact O-N 3.21Å; G61-K65 VanDerWaalsContact O-N 3.09Å
62R95.8Very high94.8Very high134 Ų13452.2 Ų52.251%0.50625%0.253SS..Hα-helixtrans-66.2-38.4178-169.8-178.7-62.1174.23112.2S58 D59 L60 K65 R66S58-R62 WeakPolarHBondContact O-CB 3.44Å; S58-R62 PolarHBondContact O-N 3.43Å; D59-R62 PolarHBondContact O-N 3.11Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.21Å; R62-K65 PolarHBondContact O-N 2.89Å; R62-R66 WeakPolarHBondContact O-CB 3.48Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 3.3Å
63L95.4Very high94.6Very high6 Ų654.7 Ų54.73%0.03127%0.269CS..Hα-helixtrans-55.3-55174.9167.161.7000110.6D59 L60 K65 R66 L67 V123 M124 F127D59-L63 PolarHBondContact O-N 3.22Å; L60-L63 WeakPolarHBondContact O-CB 3.26Å; L60-L63 PolarHBondContact O-N 2.92Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 3.33Å; L63-R66 PolarHBondContact O-N 2.98Å; L63-L67 WeakPolarHBondContact O-CB 3.19Å; L63-L67 PolarHBondContact O-N 2.92Å; L63-V123 HydrophobicContact CD1-CG1 3.98Å; L63-M124 HydrophobicContact CD1-CE 4.43Å; L63-M124 HydrophobicContact CD1-SD 4.13Å; L63-M124 HydrophobicContact CD2-SD 4.11Å; L63-F127 HydrophobicContact CB-CD2 3.91Å; L63-F127 HydrophobicContact CB-CE2 4.29Å; L63-F127 HydrophobicContact CB-CG 4.4Å; L63-F127 HydrophobicContact CD1-CB 3.89Å; L63-F127 HydrophobicContact CD1-CD2 4.49Å; L63-F127 HydrophobicContact CD1-CG 4.19Å; L63-F127 HydrophobicContact CD2-CB 4.35Å; L63-F127 HydrophobicContact CD2-CD1 3.87Å; L63-F127 HydrophobicContact CD2-CD2 3.96Å; L63-F127 HydrophobicContact CD2-CE1 4.14Å; L63-F127 HydrophobicContact CD2-CE2 4.21Å; L63-F127 HydrophobicContact CD2-CG 3.78Å; L63-F127 HydrophobicContact CD2-CZ 4.3Å; L63-F127 HydrophobicContact CG-CD2 4.33Å; L63-F127 HydrophobicContact CG-CG 4.34Å
64F93.1Very high94.3Very high4 Ų456.4 Ų56.42%0.01828%0.278CS..Hα-helixtrans-67.9-35.5-177.5-62-52000113.1L60 G61 L67 L68 L83 I84 L88 L107L60-F64 WeakPolarHBondContact O-CD2 3.32Å; L60-F64 PolarHBondContact O-N 3.04Å; G61-F64 PolarHBondContact O-N 3.16Å; F64-L67 PolarHBondContact O-N 3.26Å; F64-L68 WeakPolarHBondContact O-CG 3.17Å; F64-L68 PolarHBondContact O-N 3.34Å; F64-L83 HydrophobicContact CD1-CD2 3.84Å; F64-L83 HydrophobicContact CE1-CD2 3.02Å; F64-L83 HydrophobicContact CE1-CG 4.49Å; F64-L83 HydrophobicContact CE2-CD2 4.16Å; F64-L83 HydrophobicContact CZ-CD2 3.21Å; F64-I84 HydrophobicContact CB-CD1 4.21Å; F64-I84 HydrophobicContact CB-CG1 4.16Å; F64-I84 HydrophobicContact CB-CG2 4.14Å; F64-I84 HydrophobicContact CD1-CD1 4.06Å; F64-I84 HydrophobicContact CD1-CG1 3.7Å; F64-I84 HydrophobicContact CE1-CG1 4.39Å; F64-I84 HydrophobicContact CG-CD1 4.39Å; F64-I84 HydrophobicContact CG-CG1 3.94Å; F64-L88 HydrophobicContact CD2-CD1 3.94Å; F64-L88 HydrophobicContact CD2-CD2 4.27Å; F64-L88 HydrophobicContact CD2-CG 4.05Å; F64-L88 HydrophobicContact CE2-CD2 4.09Å; F64-L88 HydrophobicContact CE2-CG 4.14Å; F64-L107 HydrophobicContact CE2-CD1 3.89Å; F64-L107 HydrophobicContact CE2-CD2 3.83Å; F64-L107 HydrophobicContact CE2-CG 4.18Å; F64-L107 HydrophobicContact CZ-CD1 3.69Å; F64-L107 HydrophobicContact CZ-CD2 4.05Å; F64-L107 HydrophobicContact CZ-CG 3.93Å
65K93.3Very high93.9Very high132 Ų13263.2 Ų63.257%0.57430%0.303SS*.Hα-helixtrans-58.9-50.3172.9-177.4177.6173.7-178.80111.2G61 R62 L63 L67 L68 E69G61-K65 WeakPolarHBondContact O-CB 3.27Å; G61-K65 PolarHBondContact O-N 3.21Å; G61-K65 VanDerWaalsContact O-N 3.09Å; R62-K65 PolarHBondContact O-N 2.89Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 3.33Å; K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.47Å; K65-L68 PolarHBondContact O-N 3.38Å; K65-E69 WeakPolarHBondContact CE-OE1 3.35Å; K65-E69 WeakPolarHBondContact O-CG 3.38Å; K65-E69 PolarHBondContact O-N 3.03Å
66R94.8Very high93.3Very high129 Ų12970.2 Ų70.249%0.48733%0.334SS..Hα-helixtrans-64.8-34.3178.1-74.8-175.4175.8174.7-2.2112.5R62 L63 E69 S70 V123R62-R66 WeakPolarHBondContact O-CB 3.48Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 3.3Å; L63-R66 PolarHBondContact O-N 2.98Å; R66-E69 PolarHBondContact O-N 3.31Å; R66-S70 WeakPolarHBondContact O-CB 3.35Å; R66-S70 PolarHBondContact O-N 3.28Å; R66-S70 PolarHBondContact O-OG 2.96Å; R66-V123 HydrophobicContact CB-CG1 3.54Å; R66-V123 HydrophobicContact CB-CG2 4.32Å
67L92.8Very high92.7Very high0 Ų075.6 Ų75.60%036%0.362CS..Hα-helixtrans-62.6-47.8175.5-167.972.4000110.3L63 F64 K65 E69 S70 F71 I84 M114 F118 M124L63-L67 WeakPolarHBondContact O-CB 3.19Å; L63-L67 PolarHBondContact O-N 2.92Å; F64-L67 PolarHBondContact O-N 3.26Å; K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.47Å; L67-E69 VanDerWaalsContact C-N 3.3Å; L67-E69 PolarHBondContact O-N 3.04Å; L67-S70 PolarHBondContact O-N 3.42Å; L67-F71 HydrophobicContact CD1-CD2 3.93Å; L67-F71 HydrophobicContact CD1-CE2 3.71Å; L67-F71 HydrophobicContact CG-CD2 4.27Å; L67-F71 VanDerWaalsContact O-CD2 3.28Å; L67-F71 WeakPolarHBondContact O-CD2 3.25Å; L67-F71 PolarHBondContact O-N 3.27Å; L67-F71 VanDerWaalsContact O-N 3.16Å; L67-I84 HydrophobicContact CD2-CD1 4.49Å; L67-M114 HydrophobicContact CD2-CE 3.85Å; L67-M114 HydrophobicContact CD2-SD 4.42Å; L67-F118 HydrophobicContact CD1-CB 4.47Å; L67-M124 HydrophobicContact CD1-CE 4.47Å; L67-M124 HydrophobicContact CD2-CE 4.29Å
68L92.6Very high92.2Very high28 Ų2872 Ų7215%0.14735%0.349CS..Hα-helixtrans-62.7-35.4176.2-68.6171000113F64 K65 R75 L78 I84F64-L68 WeakPolarHBondContact O-CG 3.17Å; F64-L68 PolarHBondContact O-N 3.34Å; K65-L68 PolarHBondContact O-N 3.38Å; L68-R75 HydrophobicContact CB-CG 4.47Å; L68-R75 HydrophobicContact CD2-CG 4.11Å; L68-L78 HydrophobicContact CD2-CB 3.46Å; L68-L78 VanDerWaalsContact CD2-CB 3.46Å; L68-L78 HydrophobicContact CD2-CD1 4.28Å; L68-I84 HydrophobicContact CD1-CG2 4.42Å; L68-I84 HydrophobicContact CD2-CD1 4.13Å; L68-I84 HydrophobicContact CG-CD1 4.23Å
69E93.7Very high91.6Very high117 Ų11771.2 Ų71.255%0.54734%0.344SS..Hα-helixtrans-70.2-33.4176.4-72.3168.5179.500112.3K65 R66 L67K65-E69 WeakPolarHBondContact CE-OE1 3.35Å; K65-E69 WeakPolarHBondContact O-CG 3.38Å; K65-E69 PolarHBondContact O-N 3.03Å; R66-E69 PolarHBondContact O-N 3.31Å; L67-E69 VanDerWaalsContact C-N 3.3Å; L67-E69 PolarHBondContact O-N 3.04Å
70S93.9Very high90.7Very high59 Ų5976.3 Ų76.341%0.41336%0.364SS..Hα-helixtrans-79.3-21.9-179.2-56.50000113.5R66 L67 P72 V123R66-S70 WeakPolarHBondContact O-CB 3.35Å; R66-S70 PolarHBondContact O-N 3.28Å; R66-S70 PolarHBondContact O-OG 2.96Å; L67-S70 PolarHBondContact O-N 3.42Å; S70-P72 VanDerWaalsContact C-CD 3.43Å; S70-P72 WeakPolarHBondContact O-CD 3.43Å; S70-V123 VanDerWaalsContact OG-CG2 3.26Å; S70-V123 WeakPolarHBondContact OG-CG2 3.28Å
71F93.6Very high90Very high42 Ų4277.4 Ų77.418%0.18437%0.371CS..  trans-123.166.7-179.6-61.7-78.8000111.2L67 E73 D74 R75 L78 K117 F118L67-F71 HydrophobicContact CD1-CD2 3.93Å; L67-F71 HydrophobicContact CD1-CE2 3.71Å; L67-F71 HydrophobicContact CG-CD2 4.27Å; L67-F71 VanDerWaalsContact O-CD2 3.28Å; L67-F71 WeakPolarHBondContact O-CD2 3.25Å; L67-F71 PolarHBondContact O-N 3.27Å; L67-F71 VanDerWaalsContact O-N 3.16Å; F71-E73 VanDerWaalsContact C-N 3.27Å; F71-E73 PolarHBondContact O-N 3.09Å; F71-D74 HydrophobicContact CB-CB 4.27Å; F71-D74 PolarHBondContact O-N 3.43Å; F71-R75 PolarHBondContact O-N 2.95Å; F71-R75 VanDerWaalsContact O-N 3.15Å; F71-L78 HydrophobicContact CB-CD1 3.84Å; F71-L78 HydrophobicContact CD2-CD1 4.5Å; F71-L78 HydrophobicContact CG-CD1 4.47Å; F71-K117 WeakPolarHBondContact CZ-O 3.34Å; F71-F118 HydrophobicContact CB-CE1 4.06Å; F71-F118 HydrophobicContact CD1-CD1 4.09Å; F71-F118 AromaticContact CD1-CE1 3.9Å; F71-F118 HydrophobicContact CD1-CE1 3.9Å; F71-F118 AromaticContact CD2-CD1 3.73Å; F71-F118 HydrophobicContact CD2-CD1 3.73Å; F71-F118 HydrophobicContact CD2-CE1 4.06Å; F71-F118 HydrophobicContact CE1-CD1 4.21Å; F71-F118 HydrophobicContact CE1-CE1 4.41Å; F71-F118 AromaticContact CE2-CD1 3.9Å; F71-F118 HydrophobicContact CE2-CD1 3.9Å; F71-F118 AromaticContact CG-CD1 3.86Å; F71-F118 HydrophobicContact CG-CD1 3.86Å; F71-F118 AromaticContact CG-CE1 3.73Å; F71-F118 HydrophobicContact CG-CE1 3.73Å; F71-F118 HydrophobicContact CZ-CD1 4.14Å
72P91.6Very high89.3Confident83 Ų8381.3 Ų81.354%0.53939%0.392SS..SBendtrans-62-34.6-174.524.6-34.1000112.9S70 R75S70-P72 VanDerWaalsContact C-CD 3.43Å; S70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-R75 VanDerWaalsContact O-CB 3.25Å; P72-R75 WeakPolarHBondContact O-CB 3.47Å; P72-R75 PolarHBondContact O-N 3.44Å
73E91.8Very high88.6Confident173 Ų17375.5 Ų75.581%0.80837%0.371SS*.THydrogen-bonded Turntrans-67.8-35.3179.4-56-54.1148.900112.6F71F71-E73 VanDerWaalsContact C-N 3.27Å; F71-E73 PolarHBondContact O-N 3.09Å
74D91.1Very high87.7Confident37 Ų3776.3 Ų76.320%0.19838%0.375CS..THydrogen-bonded Turntrans-92.93.4-179.8-64.7-63.7000112.6F71 K76 D77 L78 K117 F118F71-D74 HydrophobicContact CB-CB 4.27Å; F71-D74 PolarHBondContact O-N 3.43Å; D74-K76 VanDerWaalsContact C-N 3.27Å; D74-K76 PolarHBondContact O-N 3.28Å; D74-K76 VanDerWaalsContact O-N 3.16Å; D74-D77 PolarHBondContact O-N 3.34Å; D74-L78 HydrophobicContact CB-CD1 4.21Å; D74-L78 HydrophobicContact CB-CG 4.29Å; D74-L78 PolarHBondContact O-N 3.44Å; D74-K117 IonicContact OD1-NZ 3.74Å; D74-K117 PolarHBondContact OD1-NZ 3.22Å; D74-K117 IonicContact OD2-NZ 2.78Å; D74-K117 PolarHBondContact OD2-NZ 2.78Å; D74-F118 HydrophobicContact CB-CE1 4.08Å; D74-F118 HydrophobicContact CB-CZ 3.87Å
75R87.7Confident86.8Confident154 Ų15482.2 Ų82.258%0.58140%0.402SS*.Hα-helixtrans-55.8-40.2-169.3-175.6178.1178.9168.72113.1L68 F71 P72 S79L68-R75 HydrophobicContact CB-CG 4.47Å; L68-R75 HydrophobicContact CD2-CG 4.11Å; F71-R75 PolarHBondContact O-N 2.95Å; F71-R75 VanDerWaalsContact O-N 3.15Å; P72-R75 VanDerWaalsContact O-CB 3.25Å; P72-R75 WeakPolarHBondContact O-CB 3.47Å; P72-R75 PolarHBondContact O-N 3.44Å; R75-S79 WeakPolarHBondContact O-CB 3.26Å; R75-S79 PolarHBondContact O-N 3.49Å; R75-S79 PolarHBondContact O-OG 2.78Å; R75-S79 VanDerWaalsContact O-OG 3.05Å
76K84.4Confident86.4Confident161 Ų16177.6 Ų77.670%0.739%0.389SS*.Hα-helixtrans-64.2-42.3179.2-70.3-178.5-179.2174.70111.3D74 S79 K80D74-K76 VanDerWaalsContact C-N 3.27Å; D74-K76 PolarHBondContact O-N 3.28Å; D74-K76 VanDerWaalsContact O-N 3.16Å; K76-S79 PolarHBondContact O-OG 3Å; K76-K80 WeakPolarHBondContact O-CG 3.32Å; K76-K80 PolarHBondContact O-N 3.45Å
77D84.4Confident86Confident114 Ų11471.9 Ų71.961%0.6137%0.37SS*.Hα-helixtrans-74.3-42-177.4-61.6-25.7000110.9D74 K80 S81D74-D77 PolarHBondContact O-N 3.34Å; D77-K80 PolarHBondContact O-N 3.42Å; D77-S81 PolarHBondContact O-N 2.88Å
78L84.9Confident85.9Confident6 Ų673.1 Ų73.13%0.03138%0.377CS..Hα-helixtrans-62.7-43.6173.5-74.6175.3000112.1L68 F71 D74 K80 S81 I84 M114 F118L68-L78 HydrophobicContact CD2-CB 3.46Å; L68-L78 VanDerWaalsContact CD2-CB 3.46Å; L68-L78 HydrophobicContact CD2-CD1 4.28Å; F71-L78 HydrophobicContact CB-CD1 3.84Å; F71-L78 HydrophobicContact CD2-CD1 4.5Å; F71-L78 HydrophobicContact CG-CD1 4.47Å; D74-L78 HydrophobicContact CB-CD1 4.21Å; D74-L78 HydrophobicContact CB-CG 4.29Å; D74-L78 PolarHBondContact O-N 3.44Å; L78-K80 PolarHBondContact O-N 3.33Å; L78-S81 WeakPolarHBondContact O-CB 3.38Å; L78-S81 PolarHBondContact O-N 3.39Å; L78-S81 PolarHBondContact O-OG 2.88Å; L78-I84 HydrophobicContact CB-CD1 4.23Å; L78-I84 WeakPolarHBondContact O-CD1 3.42Å; L78-M114 HydrophobicContact CD2-SD 4.49Å; L78-F118 HydrophobicContact CD1-CD1 4.13Å; L78-F118 HydrophobicContact CD1-CE1 3.66Å; L78-F118 HydrophobicContact CD1-CZ 4.08Å; L78-F118 HydrophobicContact CD2-CD1 4.08Å; L78-F118 HydrophobicContact CD2-CD2 3.99Å; L78-F118 HydrophobicContact CD2-CE1 3.88Å; L78-F118 HydrophobicContact CD2-CE2 3.74Å; L78-F118 HydrophobicContact CD2-CG 4.13Å; L78-F118 HydrophobicContact CD2-CZ 3.66Å; L78-F118 HydrophobicContact CG-CE1 4.01Å; L78-F118 HydrophobicContact CG-CE2 4.44Å; L78-F118 HydrophobicContact CG-CZ 3.89Å
79S80.8Confident85.9Confident50 Ų5075.3 Ų75.335%0.3539%0.391SS..Hα-helixtrans-64.3-29.6-179.366.60000113.6R75 K76 S81R75-S79 WeakPolarHBondContact O-CB 3.26Å; R75-S79 PolarHBondContact O-N 3.49Å; R75-S79 PolarHBondContact O-OG 2.78Å; R75-S79 VanDerWaalsContact O-OG 3.05Å; K76-S79 PolarHBondContact O-OG 3Å; S79-S81 VanDerWaalsContact C-N 3.32Å
80K78.4Confident85.9Confident147 Ų14774.9 Ų74.964%0.63939%0.387SS*.THydrogen-bonded Turntrans-88.7-1.9175.8-67.8176.9-179.7-176.70112.6K76 D77 L78K76-K80 WeakPolarHBondContact O-CG 3.32Å; K76-K80 PolarHBondContact O-N 3.45Å; D77-K80 PolarHBondContact O-N 3.42Å; L78-K80 PolarHBondContact O-N 3.33Å
81S81Confident85.9Confident23 Ų2372.1 Ų72.116%0.16137%0.368CS..SBendtrans-65133.4177.173.80000108.4D77 L78 S79 L83 I84 E85D77-S81 PolarHBondContact O-N 2.88Å; L78-S81 WeakPolarHBondContact O-CB 3.38Å; L78-S81 PolarHBondContact O-N 3.39Å; L78-S81 PolarHBondContact O-OG 2.88Å; S79-S81 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.32Å; S81-I84 PolarHBondContact O-N 3.5Å; S81-I84 PolarHBondContact OG-N 3.26Å; S81-E85 PolarHBondContact O-N 3.09Å; S81-E85 VanDerWaalsContact O-N 3.08Å
82P79.4Confident85.9Confident108 Ų10877.4 Ų77.470%0.70139%0.391SS*.Hα-helixtrans-55.2-22.7177-26.834.2000113.1A86 G87P82-A86 WeakPolarHBondContact O-CB 3.15Å; P82-A86 PolarHBondContact O-N 2.96Å; P82-A86 VanDerWaalsContact O-N 3.15Å; P82-G87 PolarHBondContact O-N 3.3Å; P82-G87 VanDerWaalsContact O-N 3.16Å
83L81.4Confident86Confident13 Ų1378.1 Ų78.17%0.06839%0.39CS..Hα-helixtrans-64.3-52.1176.3-165.7162.3000112F64 S81 G87 L107 N110 A111 M114F64-L83 HydrophobicContact CD1-CD2 3.84Å; F64-L83 HydrophobicContact CE1-CD2 3.02Å; F64-L83 HydrophobicContact CE1-CG 4.49Å; F64-L83 HydrophobicContact CE2-CD2 4.16Å; F64-L83 HydrophobicContact CZ-CD2 3.21Å; S81-L83 PolarHBondContact O-N 3.32Å; L83-G87 WeakPolarHBondContact O-CA 3.37Å; L83-G87 PolarHBondContact O-N 3.21Å; L83-L107 HydrophobicContact CD2-CD1 3.74Å; L83-L107 HydrophobicContact CG-CD1 3.96Å; L83-L107 WeakPolarHBondContact O-CD1 3.38Å; L83-N110 HydrophobicContact CD1-CB 3.57Å; L83-N110 HydrophobicContact CG-CB 4.11Å; L83-A111 HydrophobicContact CD1-CB 4.14Å; L83-M114 HydrophobicContact CD1-CE 3.85Å; L83-M114 HydrophobicContact CD1-CG 4Å; L83-M114 HydrophobicContact CD1-SD 4.01Å; L83-M114 HydrophobicContact CD2-CE 4.44Å
84I77.5Confident86.1Confident23 Ų2370.5 Ų70.512%0.11836%0.357CS..Hα-helixtrans-81.5-41.5-176.1-61-175.1000111.3F64 L67 L68 L78 S81F64-I84 HydrophobicContact CB-CD1 4.21Å; F64-I84 HydrophobicContact CB-CG1 4.16Å; F64-I84 HydrophobicContact CB-CG2 4.14Å; F64-I84 HydrophobicContact CD1-CD1 4.06Å; F64-I84 HydrophobicContact CD1-CG1 3.7Å; F64-I84 HydrophobicContact CE1-CG1 4.39Å; F64-I84 HydrophobicContact CG-CD1 4.39Å; F64-I84 HydrophobicContact CG-CG1 3.94Å; L67-I84 HydrophobicContact CD2-CD1 4.49Å; L68-I84 HydrophobicContact CD1-CG2 4.42Å; L68-I84 HydrophobicContact CD2-CD1 4.13Å; L68-I84 HydrophobicContact CG-CD1 4.23Å; L78-I84 HydrophobicContact CB-CD1 4.23Å; L78-I84 WeakPolarHBondContact O-CD1 3.42Å; S81-I84 PolarHBondContact O-N 3.5Å; S81-I84 PolarHBondContact OG-N 3.26Å
85E74.4Confident86.1Confident127 Ų12777.6 Ų77.659%0.59339%0.388SS*.Hα-helixtrans-74.7-50.4-175.6-173.9175.8-173.400112.2S81 V89S81-E85 PolarHBondContact O-N 3.09Å; S81-E85 VanDerWaalsContact O-N 3.08Å; E85-V89 WeakPolarHBondContact O-CG2 3.17Å
86A83.6Confident86.4Confident35 Ų3574.5 Ų74.529%0.28938%0.383SS..THydrogen-bonded Turntrans-98.9-28.9-172.900000113P82 L88 V89 K90P82-A86 WeakPolarHBondContact O-CB 3.15Å; P82-A86 PolarHBondContact O-N 2.96Å; P82-A86 VanDerWaalsContact O-N 3.15Å; A86-L88 PolarHBondContact O-N 2.65Å; A86-V89 PolarHBondContact O-N 2.99Å; A86-K90 VanDerWaalsContact O-CG 3.31Å; A86-K90 WeakPolarHBondContact O-CG 3.39Å; A86-K90 PolarHBondContact O-N 2.8Å
87G87.1Confident86.9Confident9 Ų972 Ų729%0.09338%0.377CS..Hα-helixtrans-61.9-47.2-171.500000114.1P82 L83 V89 I91P82-G87 PolarHBondContact O-N 3.3Å; P82-G87 VanDerWaalsContact O-N 3.16Å; L83-G87 WeakPolarHBondContact O-CA 3.37Å; L83-G87 PolarHBondContact O-N 3.21Å; G87-V89 VanDerWaalsContact C-N 3.33Å; G87-V89 PolarHBondContact O-N 3.18Å; G87-I91 WeakPolarHBondContact O-CG1 3.31Å; G87-I91 PolarHBondContact O-N 2.8Å
88L91.4Very high87.4Confident27 Ų2773 Ų7314%0.14138%0.377CS..Hα-helixtrans-68-32.2176.2-71.4179.5000113.2Y57 L60 F64 A86 K92 L107Y57-L88 HydrophobicContact CE2-CB 4.47Å; Y57-L88 HydrophobicContact CE2-CD2 4.21Å; Y57-L88 VanDerWaalsContact CE2-O 3.3Å; Y57-L88 WeakPolarHBondContact CE2-O 3.49Å; Y57-L88 PolarHBondContact OH-O 2.78Å; L60-L88 HydrophobicContact CB-CD2 3.75Å; F64-L88 HydrophobicContact CD2-CD1 3.94Å; F64-L88 HydrophobicContact CD2-CD2 4.27Å; F64-L88 HydrophobicContact CD2-CG 4.05Å; F64-L88 HydrophobicContact CE2-CD2 4.09Å; F64-L88 HydrophobicContact CE2-CG 4.14Å; A86-L88 PolarHBondContact O-N 2.65Å; L88-K92 PolarHBondContact O-N 2.67Å; L88-L107 HydrophobicContact CD2-CD2 4.22Å
89V91.6Very high88Confident73 Ų7377.2 Ų77.244%0.44240%0.397SS..Hα-helixtrans-68.7-45.7178.8176.40000109.7E85 A86 G87 I91 K92 D93E85-V89 WeakPolarHBondContact O-CG2 3.17Å; A86-V89 PolarHBondContact O-N 2.99Å; G87-V89 VanDerWaalsContact C-N 3.33Å; G87-V89 PolarHBondContact O-N 3.18Å; V89-I91 VanDerWaalsContact C-N 3.34Å; V89-I91 PolarHBondContact O-N 3.39Å; V89-K92 WeakPolarHBondContact O-CA 3.44Å; V89-K92 WeakPolarHBondContact O-CB 3.27Å; V89-K92 PolarHBondContact O-N 2.84Å; V89-D93 VanDerWaalsContact CG1-OD2 3.32Å; V89-D93 WeakPolarHBondContact CG1-OD2 3.26Å; V89-D93 PolarHBondContact O-N 2.97Å
90K93.8Very high88.7Confident108 Ų10876.9 Ų76.947%0.4739%0.389SS..Hα-helixtrans-59.9-39.9177.5-69.8179.8179.3-1680113.5A86 K92 D93 A94 E103A86-K90 VanDerWaalsContact O-CG 3.31Å; A86-K90 WeakPolarHBondContact O-CG 3.39Å; A86-K90 PolarHBondContact O-N 2.8Å; K90-K92 VanDerWaalsContact C-N 3.26Å; K90-K92 PolarHBondContact O-N 2.79Å; K90-D93 PolarHBondContact O-N 3.41Å; K90-A94 WeakPolarHBondContact O-CB 3.33Å; K90-A94 PolarHBondContact O-N 2.79Å; K90-E103 HydrophobicContact CB-CG 4.15Å; K90-E103 WeakPolarHBondContact CB-OE2 3.22Å; K90-E103 VanDerWaalsContact CD-OE2 3.27Å; K90-E103 WeakPolarHBondContact CD-OE2 3.37Å
91I94.1Very high89.6Confident1 Ų171.3 Ų71.31%0.00537%0.366CS..Hα-helixtrans-63.4-35.5175.2-63.6162.7000111.3F39 Y57 L60 G87 V89 K100 E103 V104 L107F39-I91 HydrophobicContact CZ-CG2 4.17Å; Y57-I91 HydrophobicContact CD2-CB 4.37Å; Y57-I91 HydrophobicContact CD2-CG2 3.77Å; Y57-I91 HydrophobicContact CE2-CB 4.07Å; Y57-I91 HydrophobicContact CE2-CG2 3.96Å; L60-I91 HydrophobicContact CD1-CD1 4.13Å; G87-I91 WeakPolarHBondContact O-CG1 3.31Å; G87-I91 PolarHBondContact O-N 2.8Å; V89-I91 VanDerWaalsContact C-N 3.34Å; V89-I91 PolarHBondContact O-N 3.39Å; I91-K100 HydrophobicContact CG2-CG 4.12Å; I91-E103 HydrophobicContact CB-CB 4.48Å; I91-E103 HydrophobicContact CG1-CB 3.63Å; I91-V104 HydrophobicContact CD1-CB 4.39Å; I91-V104 HydrophobicContact CD1-CG2 3.73Å; I91-V104 HydrophobicContact CG1-CG2 3.86Å; I91-V104 HydrophobicContact CG2-CG2 3.81Å; I91-L107 HydrophobicContact CD1-CB 4.29Å; I91-L107 HydrophobicContact CD1-CD2 3.48Å; I91-L107 VanDerWaalsContact CD1-CD2 3.48Å; I91-L107 HydrophobicContact CD1-CG 4.48Å
92K92.4Very high90.3Very high154 Ų15473.8 Ų73.867%0.6738%0.378SS*.Hα-helixtrans-74.4-36.2179-174.9-176.5175.7-171.60112Y57 L88 V89 K90Y57-K92 HydrophobicContact CE2-CB 4.33Å; L88-K92 PolarHBondContact O-N 2.67Å; V89-K92 WeakPolarHBondContact O-CA 3.44Å; V89-K92 WeakPolarHBondContact O-CB 3.27Å; V89-K92 PolarHBondContact O-N 2.84Å; K90-K92 VanDerWaalsContact C-N 3.26Å; K90-K92 PolarHBondContact O-N 2.79Å
93D93.9Very high91.2Very high97 Ų9769.6 Ų69.652%0.51935%0.349SS..Hα-helixtrans-81.3-18.8-178.4-65.8-14000112.5V89 K90 H95V89-D93 VanDerWaalsContact CG1-OD2 3.32Å; V89-D93 WeakPolarHBondContact CG1-OD2 3.26Å; V89-D93 PolarHBondContact O-N 2.97Å; K90-D93 PolarHBondContact O-N 3.41Å; D93-H95 PolarHBondContact O-CE1 3.37Å; D93-H95 PolarHBondContact O-N 3.25Å; D93-H95 PolarHBondContact O-ND1 3.49Å
94A94.4Very high91.9Very high13 Ų1369 Ų6911%0.10735%0.346CS..  trans-59126.1174.800000111.3K90 E99 K100K90-A94 WeakPolarHBondContact O-CB 3.33Å; K90-A94 PolarHBondContact O-N 2.79Å; A94-E99 HydrophobicContact CB-CB 4.33Å; A94-E99 HydrophobicContact CB-CG 3.98Å; A94-K100 HydrophobicContact CB-CB 3.91Å; A94-K100 HydrophobicContact CB-CG 4.44Å
95H90.6Very high92.9Very high187 Ų18769.8 Ų69.887%0.86635%0.349SS*.  trans-96.1-29.5-178.5-68.1-34.9000112.8D93D93-H95 PolarHBondContact O-CE1 3.37Å; D93-H95 PolarHBondContact O-N 3.25Å; D93-H95 PolarHBondContact O-ND1 3.49Å
96D95.3Very high93.9Very high88 Ų8868.7 Ų68.747%0.47134%0.339SS..SBendtrans-97.4149.9178.2-176.638.7000112E98 E99 K100D96-E98 VanDerWaalsContact C-N 3.35Å; D96-E98 WeakPolarHBondContact OD2-CB 3.47Å; D96-E98 PolarHBondContact OD2-N 3.16Å; D96-E99 HydrophobicContact CB-CB 4.26Å; D96-K100 VanDerWaalsContact O-CB 3.28Å; D96-K100 WeakPolarHBondContact O-CB 3.23Å; D96-K100 PolarHBondContact O-N 3.34Å
97I93.8Very high94.5Very high110 Ų11067.2 Ų67.256%0.56433%0.326SS*.Hα-helixtrans-64.1-42.5180-64.4173.4000110I24 K100 L101I24-I97 HydrophobicContact CD1-CG2 4.12Å; I24-I97 HydrophobicContact CG1-CG2 4.48Å; I97-K100 PolarHBondContact O-N 2.98Å; I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.75Å
98E96Very high95Very high133 Ų13366.8 Ų66.862%0.62132%0.322SS*.Hα-helixtrans-65.6-45.6-179.3-171.3177.917400111.2D96 K100 L101 N102D96-E98 VanDerWaalsContact C-N 3.35Å; D96-E98 WeakPolarHBondContact OD2-CB 3.47Å; D96-E98 PolarHBondContact OD2-N 3.16Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 3.08Å; E98-L101 PolarHBondContact O-N 3.32Å; E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 VanDerWaalsContact O-CG 3.31Å; E98-N102 PolarHBondContact O-N 2.92Å; E98-N102 PolarHBondContact O-ND2 3.2Å; E98-N102 VanDerWaalsContact O-ND2 3.07Å
99E96.1Very high95.2Very high95 Ų9568.2 Ų68.244%0.44433%0.327SS..Hα-helixtrans-57.7-47.7173.6-173.9179-159.100111.1A94 D96 L101 N102 E103A94-E99 HydrophobicContact CB-CB 4.33Å; A94-E99 HydrophobicContact CB-CG 3.98Å; D96-E99 HydrophobicContact CB-CB 4.26Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 2.88Å; E99-N102 WeakPolarHBondContact O-CB 3.44Å; E99-N102 PolarHBondContact O-N 3.38Å; E99-E103 HydrophobicContact CG-CG 4.47Å; E99-E103 WeakPolarHBondContact O-CG 3.43Å; E99-E103 PolarHBondContact O-N 3.27Å
100K95.9Very high95.4Very high44 Ų4468.5 Ų68.519%0.19133%0.326CS..Hα-helixtrans-58.8-44178.5-170.3176-175.7174.50112I24 E37 F39 I91 A94 D96 I97 E98 E103 V104I24-K100 HydrophobicContact CD1-CD 4.06Å; E37-K100 IonicContact OE2-NZ 3.79Å; E37-K100 PolarHBondContact OE2-NZ 2.66Å; F39-K100 HydrophobicContact CE1-CD 4.32Å; F39-K100 HydrophobicContact CE1-CG 4.13Å; F39-K100 HydrophobicContact CZ-CG 4.4Å; I91-K100 HydrophobicContact CG2-CG 4.12Å; A94-K100 HydrophobicContact CB-CB 3.91Å; A94-K100 HydrophobicContact CB-CG 4.44Å; D96-K100 VanDerWaalsContact O-CB 3.28Å; D96-K100 WeakPolarHBondContact O-CB 3.23Å; D96-K100 PolarHBondContact O-N 3.34Å; I97-K100 PolarHBondContact O-N 2.98Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 3.08Å; K100-E103 PolarHBondContact O-N 3.48Å; K100-V104 VanDerWaalsContact O-CG2 3.26Å; K100-V104 WeakPolarHBondContact O-CG2 3.42Å; K100-V104 PolarHBondContact O-N 3.31Å; K100-V104 VanDerWaalsContact O-N 3.09Å
101L97.3Very high95.4Very high29 Ų2963.4 Ų63.415%0.15230%0.304CS..Hα-helixtrans-62.5-44.6176-72.5174.4000111.8V21 I24 F39 I97 E98 E99 E103 V104 E105V21-L101 HydrophobicContact CB-CD2 4.38Å; V21-L101 HydrophobicContact CG1-CD2 3.49Å; V21-L101 VanDerWaalsContact CG1-CD2 3.49Å; I24-L101 HydrophobicContact CD1-CD2 4.12Å; I24-L101 HydrophobicContact CD1-CG 4.35Å; I24-L101 HydrophobicContact CG1-CD2 3.54Å; I24-L101 HydrophobicContact CG1-CG 4.15Å; F39-L101 HydrophobicContact CD1-CD2 4.29Å; I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.75Å; E98-L101 PolarHBondContact O-N 3.32Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 2.88Å; L101-E103 PolarHBondContact O-N 3.22Å; L101-V104 PolarHBondContact O-N 3.26Å; L101-E105 PolarHBondContact O-N 2.92Å
102N97Very high95.5Very high76 Ų7664.1 Ų64.141%0.40631%0.308SS..Hα-helixtrans-63.1-40.5177.4-75.7-40.1000112.4E98 E99 E105 R106E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 VanDerWaalsContact O-CG 3.31Å; E98-N102 PolarHBondContact O-N 2.92Å; E98-N102 PolarHBondContact O-ND2 3.2Å; E98-N102 VanDerWaalsContact O-ND2 3.07Å; E99-N102 WeakPolarHBondContact O-CB 3.44Å; E99-N102 PolarHBondContact O-N 3.38Å; N102-E105 PolarHBondContact O-N 3.34Å; N102-R106 VanDerWaalsContact O-CB 3.31Å; N102-R106 WeakPolarHBondContact O-CB 3.35Å; N102-R106 PolarHBondContact O-N 3.24Å
103E96.8Very high95.6Very high20 Ų2062.7 Ų62.79%0.09331%0.307CS..Hα-helixtrans-62.9-43.2175.3-70.2-55.6125.600111.7K90 I91 E99 K100 L101 R106 L107K90-E103 HydrophobicContact CB-CG 4.15Å; K90-E103 WeakPolarHBondContact CB-OE2 3.22Å; K90-E103 VanDerWaalsContact CD-OE2 3.27Å; K90-E103 WeakPolarHBondContact CD-OE2 3.37Å; I91-E103 HydrophobicContact CB-CB 4.48Å; I91-E103 HydrophobicContact CG1-CB 3.63Å; E99-E103 HydrophobicContact CG-CG 4.47Å; E99-E103 WeakPolarHBondContact O-CG 3.43Å; E99-E103 PolarHBondContact O-N 3.27Å; K100-E103 PolarHBondContact O-N 3.48Å; L101-E103 PolarHBondContact O-N 3.22Å; E103-R106 PolarHBondContact O-N 3.47Å; E103-R106 IonicContact OE1-CZ 2.71Å; E103-R106 IonicContact OE1-NH1 3.6Å; E103-R106 PolarHBondContact OE1-NH1 3.33Å; E103-R106 IonicContact OE1-NH2 2.89Å; E103-R106 PolarHBondContact OE1-NH2 3Å; E103-R106 IonicContact OE2-CZ 3.17Å; E103-R106 IonicContact OE2-NH1 3.54Å; E103-R106 PolarHBondContact OE2-NH1 3.35Å; E103-L107 WeakPolarHBondContact O-CB 3.34Å; E103-L107 PolarHBondContact O-N 3.48Å
104V97.1Very high95.5Very high0 Ų059.1 Ų59.10%029%0.288CS..Hα-helixtrans-65.1-46.1176.21780000111V21 F39 L60 I91 K100 L101 R106 L107 L108V21-V104 HydrophobicContact CG1-CG1 4.45Å; V21-V104 HydrophobicContact CG2-CB 4.27Å; V21-V104 HydrophobicContact CG2-CG1 3.87Å; F39-V104 HydrophobicContact CB-CG1 4.4Å; F39-V104 HydrophobicContact CD1-CG1 4.46Å; F39-V104 HydrophobicContact CD1-CG2 3.93Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.12Å; F39-V104 HydrophobicContact CE1-CG2 3.63Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å; F39-V104 HydrophobicContact CG-CG1 4.09Å; F39-V104 HydrophobicContact CG-CG2 4.17Å; F39-V104 HydrophobicContact CZ-CG2 3.57Å; L60-V104 HydrophobicContact CD1-CG1 4.32Å; I91-V104 HydrophobicContact CD1-CB 4.39Å; I91-V104 HydrophobicContact CD1-CG2 3.73Å; I91-V104 HydrophobicContact CG1-CG2 3.86Å; I91-V104 HydrophobicContact CG2-CG2 3.81Å; K100-V104 VanDerWaalsContact O-CG2 3.26Å; K100-V104 WeakPolarHBondContact O-CG2 3.42Å; K100-V104 PolarHBondContact O-N 3.31Å; K100-V104 VanDerWaalsContact O-N 3.09Å; L101-V104 PolarHBondContact O-N 3.26Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 2.74Å; V104-L107 WeakPolarHBondContact O-CB 3.2Å; V104-L107 PolarHBondContact O-N 3.22Å; V104-L108 HydrophobicContact CG1-CD1 3.97Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CG 3.08Å; V104-L108 PolarHBondContact O-N 3.47Å
105E97.6Very high95.4Very high40 Ų4062.5 Ų62.519%0.18731%0.308CS..Hα-helixtrans-60.7-44.7178.8-173.7172.2122.700110.9W20 V21 L101 N102 L107 L108 K109W20-E105 WeakPolarHBondContact CA-OE2 3.33Å; V21-E105 HydrophobicContact CB-CB 4.25Å; V21-E105 HydrophobicContact CG2-CB 3.67Å; V21-E105 HydrophobicContact CG2-CG 4.3Å; V21-E105 PolarHBondContact N-OE2 2.97Å; L101-E105 PolarHBondContact O-N 2.92Å; N102-E105 PolarHBondContact O-N 3.34Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.29Å; E105-L108 PolarHBondContact O-N 2.98Å; E105-K109 HydrophobicContact CG-CD 4.11Å; E105-K109 HydrophobicContact CG-CG 4.43Å; E105-K109 WeakPolarHBondContact O-CB 3.17Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.81Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.67Å; E105-K109 PolarHBondContact OE1-NZ 3.28Å
106R96.4Very high95.5Very high103 Ų10357 Ų5739%0.38929%0.29SS..Hα-helixtrans-62.9-41177.7-161.5-178.4-40.9100.3-4.9111.8N102 E103 V104 N110N102-R106 VanDerWaalsContact O-CB 3.31Å; N102-R106 WeakPolarHBondContact O-CB 3.35Å; N102-R106 PolarHBondContact O-N 3.24Å; E103-R106 PolarHBondContact O-N 3.47Å; E103-R106 IonicContact OE1-CZ 2.71Å; E103-R106 IonicContact OE1-NH1 3.6Å; E103-R106 PolarHBondContact OE1-NH1 3.33Å; E103-R106 IonicContact OE1-NH2 2.89Å; E103-R106 PolarHBondContact OE1-NH2 3Å; E103-R106 IonicContact OE2-CZ 3.17Å; E103-R106 IonicContact OE2-NH1 3.54Å; E103-R106 PolarHBondContact OE2-NH1 3.35Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 2.74Å; R106-N110 WeakPolarHBondContact O-CB 3.38Å; R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 PolarHBondContact O-ND2 3.3Å
107L96.3Very high95.3Very high4 Ų457.8 Ų57.82%0.02129%0.29CS..Hα-helixtrans-59.1-49.8175.4177.473.2000111.2L60 F64 L83 L88 I91 E103 V104 E105 N110 A111L60-L107 HydrophobicContact CD1-CD2 4.08Å; L60-L107 HydrophobicContact CD2-CD2 4.2Å; F64-L107 HydrophobicContact CE2-CD1 3.89Å; F64-L107 HydrophobicContact CE2-CD2 3.83Å; F64-L107 HydrophobicContact CE2-CG 4.18Å; F64-L107 HydrophobicContact CZ-CD1 3.69Å; F64-L107 HydrophobicContact CZ-CD2 4.05Å; F64-L107 HydrophobicContact CZ-CG 3.93Å; L83-L107 HydrophobicContact CD2-CD1 3.74Å; L83-L107 HydrophobicContact CG-CD1 3.96Å; L83-L107 WeakPolarHBondContact O-CD1 3.38Å; L88-L107 HydrophobicContact CD2-CD2 4.22Å; I91-L107 HydrophobicContact CD1-CB 4.29Å; I91-L107 HydrophobicContact CD1-CD2 3.48Å; I91-L107 VanDerWaalsContact CD1-CD2 3.48Å; I91-L107 HydrophobicContact CD1-CG 4.48Å; E103-L107 WeakPolarHBondContact O-CB 3.34Å; E103-L107 PolarHBondContact O-N 3.48Å; V104-L107 WeakPolarHBondContact O-CB 3.2Å; V104-L107 PolarHBondContact O-N 3.22Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.29Å; L107-N110 PolarHBondContact O-N 3.09Å; L107-A111 WeakPolarHBondContact O-CB 3.37Å; L107-A111 PolarHBondContact O-N 3.14Å
108L97Very high95.2Very high0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-65.9-42.3-179.4-66174000111.7C19 V21 I41 L60 V104 E105 N110 A111 I112 F127 F128C19-L108 VanDerWaalsContact SG-CB 3.5Å; V21-L108 HydrophobicContact CG2-CD1 4.03Å; I41-L108 HydrophobicContact CD1-CD1 3.64Å; I41-L108 HydrophobicContact CG1-CD1 3.9Å; I41-L108 HydrophobicContact CG2-CD1 3.98Å; L60-L108 HydrophobicContact CD2-CD2 3.84Å; V104-L108 HydrophobicContact CG1-CD1 3.97Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CG 3.08Å; V104-L108 PolarHBondContact O-N 3.47Å; E105-L108 PolarHBondContact O-N 2.98Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 3.41Å; L108-A111 WeakPolarHBondContact O-CA 3.32Å; L108-A111 WeakPolarHBondContact O-CB 3.39Å; L108-A111 PolarHBondContact O-N 3.38Å; L108-I112 PolarHBondContact O-N 2.91Å; L108-F127 HydrophobicContact CD2-CE1 3.75Å; L108-F127 HydrophobicContact CD2-CZ 4.22Å; L108-F128 HydrophobicContact CD2-CE1 4.1Å; L108-F128 HydrophobicContact CD2-CZ 4Å
109K96.4Very high95.1Very high58 Ų5847.5 Ų47.525%0.25224%0.24SC..Hα-helixtrans-60.2-42.4174.1-80-177.9173.6167.70111.9C19 E105 A111 I112 N113C19-K109 WeakPolarHBondContact O-CE 3.44Å; E105-K109 HydrophobicContact CG-CD 4.11Å; E105-K109 HydrophobicContact CG-CG 4.43Å; E105-K109 WeakPolarHBondContact O-CB 3.17Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.81Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.67Å; E105-K109 PolarHBondContact OE1-NZ 3.28Å; K109-A111 VanDerWaalsContact C-N 3.25Å; K109-A111 PolarHBondContact O-N 3.31Å; K109-I112 VanDerWaalsContact O-CG1 3.29Å; K109-I112 WeakPolarHBondContact O-CG1 3.33Å; K109-N113 VanDerWaalsContact O-CB 3.31Å; K109-N113 WeakPolarHBondContact O-CB 3.27Å; K109-N113 PolarHBondContact O-N 3.45Å; K109-N113 VanDerWaalsContact O-N 3.16Å; K109-N113 PolarHBondContact O-ND2 3.26Å
110N95.1Very high95.1Very high79 Ų7947.3 Ų47.342%0.42224%0.236SC..Hα-helixtrans-64.9-34174.3-68.7-24.6000111.3L83 R106 L107 L108 N113 M114L83-N110 HydrophobicContact CD1-CB 3.57Å; L83-N110 HydrophobicContact CG-CB 4.11Å; R106-N110 WeakPolarHBondContact O-CB 3.38Å; R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 PolarHBondContact O-ND2 3.3Å; L107-N110 PolarHBondContact O-N 3.09Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 3.41Å; N110-N113 PolarHBondContact O-N 3.33Å; N110-M114 WeakPolarHBondContact O-CG 3.48Å; N110-M114 PolarHBondContact O-N 3.18Å; N110-M114 VanDerWaalsContact O-N 3.16Å
111A94.4Very high95Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-70-43.7-17800000112.5L83 L107 L108 K109 N113 M114 M124L83-A111 HydrophobicContact CD1-CB 4.14Å; L107-A111 WeakPolarHBondContact O-CB 3.37Å; L107-A111 PolarHBondContact O-N 3.14Å; L108-A111 WeakPolarHBondContact O-CA 3.32Å; L108-A111 WeakPolarHBondContact O-CB 3.39Å; L108-A111 PolarHBondContact O-N 3.38Å; K109-A111 VanDerWaalsContact C-N 3.25Å; K109-A111 PolarHBondContact O-N 3.31Å; A111-N113 VanDerWaalsContact C-N 3.28Å; A111-N113 PolarHBondContact O-N 2.93Å; A111-M114 HydrophobicContact CB-CE 3.97Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.07Å; A111-M124 HydrophobicContact CB-CE 4.01Å; A111-M124 HydrophobicContact CB-SD 4.12Å
112I95.3Very high94.8Very high16 Ų1651.3 Ų51.38%0.08226%0.256CS..Hα-helixtrans-70.3-26.417665.8175.8000112.2V16 L108 K109 S119 F128V16-I112 HydrophobicContact CB-CG2 3.94Å; V16-I112 HydrophobicContact CG1-CG2 3.93Å; L108-I112 PolarHBondContact O-N 2.91Å; K109-I112 VanDerWaalsContact O-CG1 3.29Å; K109-I112 WeakPolarHBondContact O-CG1 3.33Å; I112-S119 WeakPolarHBondContact O-CB 3.37Å; I112-F128 HydrophobicContact CG2-CE2 3.65Å; I112-F128 HydrophobicContact CG2-CZ 3.65Å
113N94.1Very high94.7Very high124 Ų12448.9 Ų48.966%0.66324%0.243SC*.THydrogen-bonded Turntrans-88.92.4177.6-71.8-52000114.2K109 N110 A111K109-N113 VanDerWaalsContact O-CB 3.31Å; K109-N113 WeakPolarHBondContact O-CB 3.27Å; K109-N113 PolarHBondContact O-N 3.45Å; K109-N113 VanDerWaalsContact O-N 3.16Å; K109-N113 PolarHBondContact O-ND2 3.26Å; N110-N113 PolarHBondContact O-N 3.33Å; A111-N113 VanDerWaalsContact C-N 3.28Å; A111-N113 PolarHBondContact O-N 2.93Å
114M92.4Very high94.6Very high23 Ų2348 Ų4811%0.11324%0.239CC..SBendtrans-60.2160.1170.5-78.7-164.9-87.800111.4L67 L78 L83 N110 A111 C116 F118 S119 M124L67-M114 HydrophobicContact CD2-CE 3.85Å; L67-M114 HydrophobicContact CD2-SD 4.42Å; L78-M114 HydrophobicContact CD2-SD 4.49Å; L83-M114 HydrophobicContact CD1-CE 3.85Å; L83-M114 HydrophobicContact CD1-CG 4Å; L83-M114 HydrophobicContact CD1-SD 4.01Å; L83-M114 HydrophobicContact CD2-CE 4.44Å; N110-M114 WeakPolarHBondContact O-CG 3.48Å; N110-M114 PolarHBondContact O-N 3.18Å; N110-M114 VanDerWaalsContact O-N 3.16Å; A111-M114 HydrophobicContact CB-CE 3.97Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.07Å; M114-C116 PolarHBondContact O-N 2.94Å; M114-F118 HydrophobicContact CB-CB 4.15Å; M114-F118 HydrophobicContact SD-CB 4.23Å; M114-S119 WeakPolarHBondContact O-CB 3.31Å; M114-S119 PolarHBondContact O-OG 3.29Å; M114-M124 HydrophobicContact CE-CE 3.4Å; M114-M124 VanDerWaalsContact CE-CE 3.4Å
115P92.3Very high94.5Very high83 Ų8349.2 Ų49.254%0.53925%0.246SC..  trans-45.4139.8170.7-29.834.3000112.1K117 F118 S119P115-K117 HydrophobicContact CB-CG 4.2Å; P115-K117 PolarHBondContact O-N 2.8Å; P115-F118 HydrophobicContact CB-CD2 4.06Å; P115-F118 HydrophobicContact CB-CE2 4.4Å; P115-F118 HydrophobicContact CG-CD2 4.18Å; P115-F118 HydrophobicContact CG-CE2 4.34Å; P115-F118 PolarHBondContact O-N 2.89Å; P115-S119 PolarHBondContact O-N 3.38Å; P115-S119 VanDerWaalsContact O-N 3.1Å; P115-S119 PolarHBondContact O-OG 2.82Å
116C92.3Very high94.4Very high72 Ų7250.1 Ų50.149%0.48625%0.254SS..Hα-helixtrans-53-30.6-171.4-71.70000113.8M114 F118 S119 R120M114-C116 PolarHBondContact O-N 2.94Å; C116-F118 PolarHBondContact O-N 3.37Å; C116-S119 WeakPolarHBondContact CA-OG 3.42Å; C116-R120 HydrophobicContact CB-CG 4.35Å; C116-R120 VanDerWaalsContact O-CB 3.29Å; C116-R120 WeakPolarHBondContact O-CB 3.34Å; C116-R120 PolarHBondContact O-N 3.02Å
117K91.8Very high94.4Very high105 Ų10546 Ų4646%0.45724%0.239SC..Hα-helixtrans-56.6-30174.261.9167.4174.8164.90113.6F71 D74 P115F71-K117 WeakPolarHBondContact CZ-O 3.34Å; D74-K117 IonicContact OD1-NZ 3.74Å; D74-K117 PolarHBondContact OD1-NZ 3.22Å; D74-K117 IonicContact OD2-NZ 2.78Å; D74-K117 PolarHBondContact OD2-NZ 2.78Å; P115-K117 HydrophobicContact CB-CG 4.2Å; P115-K117 PolarHBondContact O-N 2.8Å
118F92.7Very high94.5Very high15 Ų1545.9 Ų45.97%0.06624%0.238CC..Hα-helixtrans-99.7-49.6178.2-51.5-54.9000111.9L67 F71 D74 L78 M114 P115 C116 R120 S121 M124L67-F118 HydrophobicContact CD1-CB 4.47Å; F71-F118 HydrophobicContact CB-CE1 4.06Å; F71-F118 HydrophobicContact CD1-CD1 4.09Å; F71-F118 AromaticContact CD1-CE1 3.9Å; F71-F118 HydrophobicContact CD1-CE1 3.9Å; F71-F118 AromaticContact CD2-CD1 3.73Å; F71-F118 HydrophobicContact CD2-CD1 3.73Å; F71-F118 HydrophobicContact CD2-CE1 4.06Å; F71-F118 HydrophobicContact CE1-CD1 4.21Å; F71-F118 HydrophobicContact CE1-CE1 4.41Å; F71-F118 AromaticContact CE2-CD1 3.9Å; F71-F118 HydrophobicContact CE2-CD1 3.9Å; F71-F118 AromaticContact CG-CD1 3.86Å; F71-F118 HydrophobicContact CG-CD1 3.86Å; F71-F118 AromaticContact CG-CE1 3.73Å; F71-F118 HydrophobicContact CG-CE1 3.73Å; F71-F118 HydrophobicContact CZ-CD1 4.14Å; D74-F118 HydrophobicContact CB-CE1 4.08Å; D74-F118 HydrophobicContact CB-CZ 3.87Å; L78-F118 HydrophobicContact CD1-CD1 4.13Å; L78-F118 HydrophobicContact CD1-CE1 3.66Å; L78-F118 HydrophobicContact CD1-CZ 4.08Å; L78-F118 HydrophobicContact CD2-CD1 4.08Å; L78-F118 HydrophobicContact CD2-CD2 3.99Å; L78-F118 HydrophobicContact CD2-CE1 3.88Å; L78-F118 HydrophobicContact CD2-CE2 3.74Å; L78-F118 HydrophobicContact CD2-CG 4.13Å; L78-F118 HydrophobicContact CD2-CZ 3.66Å; L78-F118 HydrophobicContact CG-CE1 4.01Å; L78-F118 HydrophobicContact CG-CE2 4.44Å; L78-F118 HydrophobicContact CG-CZ 3.89Å; M114-F118 HydrophobicContact CB-CB 4.15Å; M114-F118 HydrophobicContact SD-CB 4.23Å; P115-F118 HydrophobicContact CB-CD2 4.06Å; P115-F118 HydrophobicContact CB-CE2 4.4Å; P115-F118 HydrophobicContact CG-CD2 4.18Å; P115-F118 HydrophobicContact CG-CE2 4.34Å; P115-F118 PolarHBondContact O-N 2.89Å; C116-F118 PolarHBondContact O-N 3.37Å; F118-R120 VanDerWaalsContact C-N 3.26Å; F118-R120 PolarHBondContact O-N 3.2Å; F118-S121 VanDerWaalsContact O-CB 3.27Å; F118-S121 WeakPolarHBondContact O-CB 3.43Å; F118-S121 PolarHBondContact O-N 3.16Å; F118-S121 VanDerWaalsContact O-N 3.13Å; F118-S121 PolarHBondContact O-OG 2.88Å; F118-M124 WeakPolarHBondContact O-CB 3.21Å
119S93.9Very high94.4Very high12 Ų1250 Ų508%0.08426%0.257CS..Hα-helixtrans-68.2-24.4-175.252.70000113.6I112 M114 P115 C116 M124I112-S119 WeakPolarHBondContact O-CB 3.37Å; M114-S119 WeakPolarHBondContact O-CB 3.31Å; M114-S119 PolarHBondContact O-OG 3.29Å; P115-S119 PolarHBondContact O-N 3.38Å; P115-S119 VanDerWaalsContact O-N 3.1Å; P115-S119 PolarHBondContact O-OG 2.82Å; C116-S119 WeakPolarHBondContact CA-OG 3.42Å; S119-M124 WeakPolarHBondContact O-CG 3.2Å
120R94.6Very high94.3Very high91 Ų9153.1 Ų53.134%0.34327%0.268SS..THydrogen-bonded Turntrans-10713.8174.6-49.4-173.8-178-174.5-1.8113N13 F15 C116 F118N13-R120 PolarHBondContact OD1-NH1 3.44Å; F15-R120 HydrophobicContact CB-CG 4.02Å; C116-R120 HydrophobicContact CB-CG 4.35Å; C116-R120 VanDerWaalsContact O-CB 3.29Å; C116-R120 WeakPolarHBondContact O-CB 3.34Å; C116-R120 PolarHBondContact O-N 3.02Å; F118-R120 VanDerWaalsContact C-N 3.26Å; F118-R120 PolarHBondContact O-N 3.2Å
121S93.6Very high94.1Very high13 Ų1350.7 Ų50.79%0.09126%0.257CS..SBendtrans-69151.9173.969.10000110.8F118 V123 M124 L125F118-S121 VanDerWaalsContact O-CB 3.27Å; F118-S121 WeakPolarHBondContact O-CB 3.43Å; F118-S121 PolarHBondContact O-N 3.16Å; F118-S121 VanDerWaalsContact O-N 3.13Å; F118-S121 PolarHBondContact O-OG 2.88Å; S121-V123 PolarHBondContact O-N 3.31Å; S121-M124 PolarHBondContact O-N 2.69Å; S121-M124 PolarHBondContact OG-N 3.37Å; S121-L125 WeakPolarHBondContact O-CG 3.38Å; S121-L125 PolarHBondContact O-N 3.05Å
122E93.9Very high93.9Very high144 Ų14455.7 Ų55.767%0.67329%0.289SS*.Hα-helixtrans-52-44176.3-177.1-176171.300111.9M124 L125 T126E122-M124 VanDerWaalsContact C-N 3.29Å; E122-M124 PolarHBondContact O-N 3.15Å; E122-L125 PolarHBondContact O-N 2.9Å; E122-T126 HydrophobicContact CG-CG2 4.03Å; E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 WeakPolarHBondContact O-CG2 3.44Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.29Å
123V94.7Very high93.7Very high24 Ų2457.4 Ų57.415%0.14530%0.298CS..Hα-helixtrans-60.4-38.1178.6174.70000112.4L63 R66 S70 S121 T126 F127L63-V123 HydrophobicContact CD1-CG1 3.98Å; R66-V123 HydrophobicContact CB-CG1 3.54Å; R66-V123 HydrophobicContact CB-CG2 4.32Å; S70-V123 VanDerWaalsContact OG-CG2 3.26Å; S70-V123 WeakPolarHBondContact OG-CG2 3.28Å; S121-V123 PolarHBondContact O-N 3.31Å; V123-T126 PolarHBondContact O-OG1 2.85Å; V123-F127 PolarHBondContact O-N 3.2Å
124M95.2Very high93.6Very high1 Ų151.7 Ų51.71%0.00527%0.268CS..Hα-helixtrans-72.5-47.1177-17065.266.800111.4L63 L67 A111 M114 F118 S119 S121 E122 F127 F128L63-M124 HydrophobicContact CD1-CE 4.43Å; L63-M124 HydrophobicContact CD1-SD 4.13Å; L63-M124 HydrophobicContact CD2-SD 4.11Å; L67-M124 HydrophobicContact CD1-CE 4.47Å; L67-M124 HydrophobicContact CD2-CE 4.29Å; A111-M124 HydrophobicContact CB-CE 4.01Å; A111-M124 HydrophobicContact CB-SD 4.12Å; M114-M124 HydrophobicContact CE-CE 3.4Å; M114-M124 VanDerWaalsContact CE-CE 3.4Å; F118-M124 WeakPolarHBondContact O-CB 3.21Å; S119-M124 WeakPolarHBondContact O-CG 3.2Å; S121-M124 PolarHBondContact O-N 2.69Å; S121-M124 PolarHBondContact OG-N 3.37Å; E122-M124 VanDerWaalsContact C-N 3.29Å; E122-M124 PolarHBondContact O-N 3.15Å; M124-F127 WeakPolarHBondContact O-CB 3.29Å; M124-F127 PolarHBondContact O-N 2.95Å; M124-F128 HydrophobicContact CG-CD2 4.36Å; M124-F128 HydrophobicContact CG-CE2 4.11Å; M124-F128 VanDerWaalsContact O-CD2 3.27Å; M124-F128 WeakPolarHBondContact O-CD2 3.38Å; M124-F128 HydrophobicContact SD-CD2 4.45Å; M124-F128 HydrophobicContact SD-CE2 3.78Å
125L95.5Very high93.5Very high27 Ų2755.8 Ų55.814%0.14129%0.286CS..Hα-helixtrans-65.4-44-176.7-62.4-178.8000111.4W45 S121 E122 F127 F128 E129W45-L125 HydrophobicContact CH2-CB 4.44Å; W45-L125 HydrophobicContact CH2-CD2 4.39Å; W45-L125 HydrophobicContact CZ3-CD2 4.06Å; S121-L125 WeakPolarHBondContact O-CG 3.38Å; S121-L125 PolarHBondContact O-N 3.05Å; E122-L125 PolarHBondContact O-N 2.9Å; L125-F127 PolarHBondContact O-N 3.15Å; L125-F128 CarbonylContact O-C 3.59Å; L125-F128 PolarHBondContact O-N 2.69Å; L125-E129 PolarHBondContact O-N 3Å; L125-E129 VanDerWaalsContact O-N 3.14Å
126T94.8Very high93.3Very high58 Ų5855.9 Ų55.936%0.35629%0.285SS..Hα-helixtrans-62.3-28.8177.353.30000113.1E122 V123 F128 E129E122-T126 HydrophobicContact CG-CG2 4.03Å; E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 WeakPolarHBondContact O-CG2 3.44Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.29Å; V123-T126 PolarHBondContact O-OG1 2.85Å; T126-F128 VanDerWaalsContact C-N 3.29Å; T126-F128 PolarHBondContact O-N 2.95Å; T126-E129 PolarHBondContact O-N 3.05Å
127F97Very high93Very high18 Ų1852.7 Ų52.78%0.07926%0.264CS..Hα-helixtrans-64.9-35.3172.8173.3-91.8000112.3R55 D59 L60 L63 L108 V123 M124 L125R55-F127 HydrophobicContact CB-CE2 4.27Å; R55-F127 HydrophobicContact CB-CZ 3.98Å; R55-F127 HydrophobicContact CG-CE1 4.28Å; R55-F127 HydrophobicContact CG-CE2 3.91Å; R55-F127 HydrophobicContact CG-CZ 3.62Å; R55-F127 PolarHBondContact NE-O 2.93Å; R55-F127 PolarHBondContact NH2-O 3.16Å; D59-F127 HydrophobicContact CB-CE2 4.12Å; L60-F127 HydrophobicContact CD2-CE1 4.41Å; L60-F127 HydrophobicContact CD2-CE2 4.21Å; L60-F127 HydrophobicContact CD2-CZ 3.59Å; L63-F127 HydrophobicContact CB-CD2 3.91Å; L63-F127 HydrophobicContact CB-CE2 4.29Å; L63-F127 HydrophobicContact CB-CG 4.4Å; L63-F127 HydrophobicContact CD1-CB 3.89Å; L63-F127 HydrophobicContact CD1-CD2 4.49Å; L63-F127 HydrophobicContact CD1-CG 4.19Å; L63-F127 HydrophobicContact CD2-CB 4.35Å; L63-F127 HydrophobicContact CD2-CD1 3.87Å; L63-F127 HydrophobicContact CD2-CD2 3.96Å; L63-F127 HydrophobicContact CD2-CE1 4.14Å; L63-F127 HydrophobicContact CD2-CE2 4.21Å; L63-F127 HydrophobicContact CD2-CG 3.78Å; L63-F127 HydrophobicContact CD2-CZ 4.3Å; L63-F127 HydrophobicContact CG-CD2 4.33Å; L63-F127 HydrophobicContact CG-CG 4.34Å; L108-F127 HydrophobicContact CD2-CE1 3.75Å; L108-F127 HydrophobicContact CD2-CZ 4.22Å; V123-F127 PolarHBondContact O-N 3.2Å; M124-F127 WeakPolarHBondContact O-CB 3.29Å; M124-F127 PolarHBondContact O-N 2.95Å; L125-F127 PolarHBondContact O-N 3.15Å
128F96.9Very high92.5Very high0 Ų055.6 Ų55.60%027%0.272CS..Hα-helixtrans-89.3-4.2179.6-69.1-69.2000114V16 T43 W45 L51 L53 L108 I112 M124 L125 T126V16-F128 HydrophobicContact CB-CD2 4.46Å; V16-F128 HydrophobicContact CG2-CB 3.63Å; V16-F128 HydrophobicContact CG2-CD1 4.44Å; V16-F128 HydrophobicContact CG2-CD2 3.66Å; V16-F128 HydrophobicContact CG2-CE2 4.39Å; V16-F128 HydrophobicContact CG2-CG 3.67Å; T43-F128 HydrophobicContact CG2-CD1 3.59Å; T43-F128 HydrophobicContact CG2-CE1 4.09Å; T43-F128 HydrophobicContact CG2-CG 4.49Å; W45-F128 HydrophobicContact CH2-CB 4.26Å; W45-F128 HydrophobicContact CZ2-CB 3.67Å; W45-F128 WeakPolarHBondContact CZ2-O 3.45Å; L51-F128 WeakPolarHBondContact CD1-O 3.44Å; L53-F128 HydrophobicContact CD1-CB 4.29Å; L53-F128 HydrophobicContact CD1-CD1 4.08Å; L53-F128 WeakPolarHBondContact CD1-O 3.29Å; L108-F128 HydrophobicContact CD2-CE1 4.1Å; L108-F128 HydrophobicContact CD2-CZ 4Å; I112-F128 HydrophobicContact CG2-CE2 3.65Å; I112-F128 HydrophobicContact CG2-CZ 3.65Å; M124-F128 HydrophobicContact CG-CD2 4.36Å; M124-F128 HydrophobicContact CG-CE2 4.11Å; M124-F128 VanDerWaalsContact O-CD2 3.27Å; M124-F128 WeakPolarHBondContact O-CD2 3.38Å; M124-F128 HydrophobicContact SD-CD2 4.45Å; M124-F128 HydrophobicContact SD-CE2 3.78Å; L125-F128 CarbonylContact O-C 3.59Å; L125-F128 PolarHBondContact O-N 2.69Å; T126-F128 VanDerWaalsContact C-N 3.29Å; T126-F128 PolarHBondContact O-N 2.95Å
129E94.9Very high91.6Very high86 Ų8658.8 Ų58.840%0.40229%0.289SS..SBendtrans-74160174-75.4172.7-17800112.1W45 R55 L125 T126 S131W45-E129 HydrophobicContact CH2-CG 4.21Å; W45-E129 HydrophobicContact CZ2-CG 4.44Å; R55-E129 PolarHBondContact NH2-O 3.13Å; L125-E129 PolarHBondContact O-N 3Å; L125-E129 VanDerWaalsContact O-N 3.14Å; T126-E129 PolarHBondContact O-N 3.05Å; E129-S131 PolarHBondContact O-N 3.31Å
130R94.4Very high90.3Very high125 Ų12561.2 Ų61.247%0.47230%0.301SS..PPolyproline II helixtrans-65.5121.6177.2-72.4-176174.9104.31.1110.6L51 L53L51-R130 HydrophobicContact CD1-CG 4.46Å; L51-R130 HydrophobicContact CD2-CG 4.47Å; L51-R130 VanDerWaalsContact CD2-NH1 3.3Å; L51-R130 VanDerWaalsContact CD2-NH2 3.29Å; L53-R130 HydrophobicContact CD2-CG 4.41Å
131S91.5Very high88.4Confident28 Ų2863.1 Ų63.120%0.19631%0.312CS..PPolyproline II helixtrans-80.6165.3169.574.10000111.2R55 E129 L133 D134 Q135R55-S131 PolarHBondContact NH1-OG 2.96Å; E129-S131 PolarHBondContact O-N 3.31Å; S131-L133 PolarHBondContact O-N 2.95Å; S131-L133 PolarHBondContact OG-N 3.3Å; S131-D134 VanDerWaalsContact CB-OD2 3.32Å; S131-D134 WeakPolarHBondContact CB-OD2 3.38Å; S131-D134 PolarHBondContact N-OD2 3.42Å; S131-D134 WeakPolarHBondContact O-CB 3.39Å; S131-D134 PolarHBondContact O-N 3.01Å; S131-D134 VanDerWaalsContact O-N 3.11Å; S131-D134 PolarHBondContact OG-N 2.96Å; S131-D134 PolarHBondContact OG-OD2 3.33Å; S131-Q135 PolarHBondContact O-N 2.73Å
132P90.5Very high86.4Confident104 Ų10467.8 Ų67.868%0.67534%0.34SS*.Hα-helixtrans-56.1-37.1170.7-26.135.6000112.9D134 Q135 V136P132-D134 VanDerWaalsContact C-N 3.31Å; P132-D134 PolarHBondContact O-N 3.19Å; P132-Q135 PolarHBondContact O-N 3.43Å; P132-V136 WeakPolarHBondContact O-CG2 3.18Å; P132-V136 PolarHBondContact O-N 2.92Å; P132-V136 VanDerWaalsContact O-N 3.16Å
133L90.5Very high84.1Confident53 Ų5366.8 Ų66.828%0.27734%0.335SS..Hα-helixtrans-60.2-42.9176-179.864.7000111L27 F38 H54 S131 Q135 V136 L137L27-L133 HydrophobicContact CD1-CD1 4.12Å; L27-L133 HydrophobicContact CD1-CD2 4.39Å; F38-L133 HydrophobicContact CD1-CD2 3.68Å; F38-L133 HydrophobicContact CE1-CD2 3.43Å; F38-L133 VanDerWaalsContact CE1-CD2 3.43Å; F38-L133 HydrophobicContact CG-CD2 4.37Å; F38-L133 HydrophobicContact CZ-CD2 3.95Å; H54-L133 HydrophobicContact CB-CD2 4.18Å; S131-L133 PolarHBondContact O-N 2.95Å; S131-L133 PolarHBondContact OG-N 3.3Å; L133-Q135 VanDerWaalsContact C-N 3.25Å; L133-Q135 PolarHBondContact O-N 2.87Å; L133-V136 PolarHBondContact O-N 3.49Å; L133-L137 HydrophobicContact CD1-CD1 3.8Å; L133-L137 HydrophobicContact CD1-CD2 4.32Å; L133-L137 HydrophobicContact CD1-CG 3.93Å; L133-L137 HydrophobicContact CD2-CD1 4.24Å; L133-L137 HydrophobicContact CG-CD1 3.67Å; L133-L137 HydrophobicContact CG-CG 4.17Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.18Å; L133-L137 PolarHBondContact O-N 3.23Å
134D92.6Very high81.7Confident4 Ų476.5 Ų76.52%0.02137%0.369CS..Hα-helixtrans-62.5-34.8179.7-60.1-44.4000112.5L53 H54 R55 S131 P132 R138L53-D134 VanDerWaalsContact CA-OD1 3.27Å; L53-D134 WeakPolarHBondContact CA-OD1 3.29Å; H54-D134 IonicContact CG-OD1 3.79Å; H54-D134 PolarHBondContact N-OD1 3.49Å; H54-D134 IonicContact ND1-OD1 2.68Å; H54-D134 PolarHBondContact ND1-OD1 2.75Å; R55-D134 IonicContact CZ-OD2 2.73Å; R55-D134 IonicContact NH1-OD1 2.75Å; R55-D134 IonicContact NH1-OD2 2.74Å; R55-D134 PolarHBondContact NH1-OD2 2.66Å; R55-D134 IonicContact NH2-OD2 3.08Å; S131-D134 VanDerWaalsContact CB-OD2 3.32Å; S131-D134 WeakPolarHBondContact CB-OD2 3.38Å; S131-D134 PolarHBondContact N-OD2 3.42Å; S131-D134 WeakPolarHBondContact O-CB 3.39Å; S131-D134 PolarHBondContact O-N 3.01Å; S131-D134 VanDerWaalsContact O-N 3.11Å; S131-D134 PolarHBondContact OG-N 2.96Å; S131-D134 PolarHBondContact OG-OD2 3.33Å; P132-D134 VanDerWaalsContact C-N 3.31Å; P132-D134 PolarHBondContact O-N 3.19Å; D134-R138 WeakPolarHBondContact O-CB 3.31Å; D134-R138 PolarHBondContact O-N 3.44Å
135Q89.3Confident79.5Confident108 Ų10882.4 Ų82.451%0.50540%0.399SS..Hα-helixtrans-68.9-44.5177.2-62176.44100111S131 P132 L133 R138 N139S131-Q135 PolarHBondContact O-N 2.73Å; P132-Q135 PolarHBondContact O-N 3.43Å; L133-Q135 VanDerWaalsContact C-N 3.25Å; L133-Q135 PolarHBondContact O-N 2.87Å; Q135-R138 PolarHBondContact O-N 3.32Å; Q135-N139 VanDerWaalsContact O-CG 3.22Å; Q135-N139 PolarHBondContact O-N 2.94Å; Q135-N139 PolarHBondContact O-ND2 2.85Å
136V87.9Confident77Confident85 Ų8588.2 Ų88.252%0.51543%0.426SS..Hα-helixtrans-61.6-50.6176.1175.90000110.4P132 L133 R138 N139 D140P132-V136 WeakPolarHBondContact O-CG2 3.18Å; P132-V136 PolarHBondContact O-N 2.92Å; P132-V136 VanDerWaalsContact O-N 3.16Å; L133-V136 PolarHBondContact O-N 3.49Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 2.85Å; V136-N139 PolarHBondContact O-N 3.46Å; V136-D140 PolarHBondContact O-N 3.03Å
137L86.1Confident74.6Confident6 Ų690.1 Ų90.13%0.03144%0.439CS..Hα-helixtrans-69.8-25.5-176.8-60.5176.3000113.2L27 H54 L133 D140L27-L137 HydrophobicContact CD1-CD1 3.86Å; L27-L137 HydrophobicContact CD1-CD2 4.1Å; L27-L137 HydrophobicContact CD2-CD2 4.25Å; H54-L137 HydrophobicContact CB-CD1 3.96Å; H54-L137 VanDerWaalsContact CD2-CD1 3.49Å; H54-L137 WeakPolarHBondContact CD2-CD1 3.18Å; H54-L137 VanDerWaalsContact CG-CD1 3.41Å; L133-L137 HydrophobicContact CD1-CD1 3.8Å; L133-L137 HydrophobicContact CD1-CD2 4.32Å; L133-L137 HydrophobicContact CD1-CG 3.93Å; L133-L137 HydrophobicContact CD2-CD1 4.24Å; L133-L137 HydrophobicContact CG-CD1 3.67Å; L133-L137 HydrophobicContact CG-CG 4.17Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.18Å; L133-L137 PolarHBondContact O-N 3.23Å; L137-D140 WeakPolarHBondContact O-CB 3.44Å
138R81.5Confident72.2Confident166 Ų16695 Ų9563%0.62647%0.474SS*.Hα-helixtrans-65.2-42.3169.1179179.2-179.6-1002.5111.1D134 Q135 V136 K141D134-R138 WeakPolarHBondContact O-CB 3.31Å; D134-R138 PolarHBondContact O-N 3.44Å; Q135-R138 PolarHBondContact O-N 3.32Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 2.85Å; R138-K141 PolarHBondContact O-N 3.42Å
139N73.4Confident69.7Low82 Ų82103.3 Ų103.344%0.43951%0.511SS..Hα-helixtrans-75.1-27.7179.9-62.2-20.2000112Q135 V136 K141 V142 H143Q135-N139 VanDerWaalsContact O-CG 3.22Å; Q135-N139 PolarHBondContact O-N 2.94Å; Q135-N139 PolarHBondContact O-ND2 2.85Å; V136-N139 PolarHBondContact O-N 3.46Å; N139-K141 PolarHBondContact O-N 2.88Å; N139-V142 WeakPolarHBondContact O-CB 3.49Å; N139-V142 PolarHBondContact O-N 2.69Å; N139-H143 PolarHBondContact O-N 3.24Å; N139-H143 PolarHBondContact O-ND1 3.36Å
140D67.2Low67.8Low62 Ų62107.9 Ų107.933%0.33253%0.532SS..Hα-helixtrans-59.7-28.3171-1008.9000113.2R25 V136 L137 V142 H143 R144R25-D140 IonicContact NH2-OD2 3.96Å; R25-D140 PolarHBondContact NH2-OD2 2.68Å; R25-D140 VanDerWaalsContact NH2-OD2 3.08Å; V136-D140 PolarHBondContact O-N 3.03Å; L137-D140 WeakPolarHBondContact O-CB 3.44Å; D140-V142 PolarHBondContact O-N 3.49Å; D140-H143 CarbonylContact O-C 3.54Å; D140-H143 WeakPolarHBondContact O-CA 3.5Å; D140-H143 PolarHBondContact O-N 2.88Å; D140-R144 PolarHBondContact O-N 2.94Å
141K55.1Low65.8Low131 Ų131105.3 Ų105.357%0.5753%0.533SS*.THydrogen-bonded Turntrans-64.7-23.9174.8-66.5-170.8-180-1740112.2R138 N139R138-K141 PolarHBondContact O-N 3.42Å; N139-K141 PolarHBondContact O-N 2.88Å
142V50.5Low64.3Low112 Ų112110 Ų11068%0.67956%0.563SS**THydrogen-bonded Turntrans-81.3-23.9171-173.80000110.9N139 D140N139-V142 WeakPolarHBondContact O-CB 3.49Å; N139-V142 PolarHBondContact O-N 2.69Å; D140-V142 PolarHBondContact O-N 3.49Å
143H46.6Very low62.8Low123 Ų123109.4 Ų109.457%0.56955%0.553SS**  trans-109.634.9179.1-56.378.4000112.8N139 D140 I145N139-H143 PolarHBondContact O-N 3.24Å; N139-H143 PolarHBondContact O-ND1 3.36Å; D140-H143 CarbonylContact O-C 3.54Å; D140-H143 WeakPolarHBondContact O-CA 3.5Å; D140-H143 PolarHBondContact O-N 2.88Å; H143-I145 PolarHBondContact O-N 2.97Å
144R43.9Very low61.6Low227 Ų227111.6 Ų111.686%0.85757%0.565SS**  trans-64.834.9154.7-78.6-164.9178.1-167.21.3111.2D140D140-R144 PolarHBondContact O-N 2.94Å
145I48.3Very low60.1Low126 Ų126117.5 Ų117.565%0.64660%0.596SS**  trans-93.198.1166.5-59.5176.9000105H143H143-I145 PolarHBondContact O-N 2.97Å
146Q43.1Very low58.7Low148 Ų148115.9 Ų115.969%0.69260%0.596SS**  trans68.9127.5148.5-148.4156.717.200116C148Q146-C148 PolarHBondContact O-N 2.74Å; Q146-C148 VanDerWaalsContact O-N 3.08Å
147P44.8Very low57.6Low99 Ų99117 Ų11764%0.64360%0.596SS**  trans-51.7127.816423.6-30.7000106.6F149P147-F149 HydrophobicContact CG-CD2 4.21Å; P147-F149 HydrophobicContact CG-CE2 3.98Å; P147-F149 PolarHBondContact O-N 2.75Å
148C46.5Very low56.5Low121 Ų121119.8 Ų119.882%0.81861%0.61SS**  trans-63.582.2170.1-55.80000107Q146 Q150Q146-C148 PolarHBondContact O-N 2.74Å; Q146-C148 VanDerWaalsContact O-N 3.08Å; C148-Q150 PolarHBondContact O-N 3.35Å
149F45.9Very low55.3Low173 Ų173119.3 Ų119.376%0.75962%0.617SS**  trans-51.7105.6143.4-74.7-81.5000103.4P147 S151P147-F149 HydrophobicContact CG-CD2 4.21Å; P147-F149 HydrophobicContact CG-CE2 3.98Å; P147-F149 PolarHBondContact O-N 2.75Å; F149-S151 PolarHBondContact O-N 3.24Å
150Q54.6Low55Low183 Ų183125.9 Ų125.986%0.85564%0.635SS**  trans-61.386.8157.1-79-177.3-12.500104.7C148 P152C148-Q150 PolarHBondContact O-N 3.35Å; Q150-P152 WeakPolarHBondContact O-CD 3.47Å; Q150-P152 VanDerWaalsContact O-N 3.13Å
151S52.5Low54.4Low70 Ų70125.4 Ų125.449%0.4964%0.637SS.*  trans-48.3119.3160.4157.10000104.9F149 I153F149-S151 PolarHBondContact O-N 3.24Å; S151-I153 PolarHBondContact O-N 2.87Å; S151-I153 PolarHBondContact OG-N 3.33Å; S151-I153 PolarHBondContact OG-O 3.2Å
152P58.7Low54.4Low128 Ų128127.4 Ų127.483%0.83165%0.654SS**SBendtrans-64.11.5177.224.5-31.3000112.5Q150Q150-P152 WeakPolarHBondContact O-CD 3.47Å; Q150-P152 VanDerWaalsContact O-N 3.13Å
153I59.7Low54.9Low91 Ų91124.9 Ų124.947%0.46765%0.65SS.*SBendtrans-114.7124.9-175.2-53.8174.5000108.6S151 E157 I158S151-I153 PolarHBondContact O-N 2.87Å; S151-I153 PolarHBondContact OG-N 3.33Å; S151-I153 PolarHBondContact OG-O 3.2Å; I153-E157 WeakPolarHBondContact CA-OE2 3.24Å; I153-E157 HydrophobicContact CG2-CB 3.89Å; I153-E157 WeakPolarHBondContact CG2-OE2 3.39Å; I153-I158 HydrophobicContact CG2-CG1 3.97Å
154N66Low55.2Low99 Ų99125.8 Ų125.853%0.52965%0.653SS.*  trans-78.1146.9-179.8-165-62000110.4S156 E157 I158N154-S156 PolarHBondContact O-N 2.79Å; N154-S156 VanDerWaalsContact O-N 3.07Å; N154-S156 PolarHBondContact OD1-N 3.1Å; N154-S156 VanDerWaalsContact OD1-N 3.08Å; N154-S156 PolarHBondContact OD1-OG 3Å; N154-E157 HydrophobicContact CB-CG 4.48Å; N154-E157 PolarHBondContact N-OE2 3.16Å; N154-E157 VanDerWaalsContact N-OE2 3.1Å; N154-E157 WeakPolarHBondContact O-CA 3.49Å; N154-E157 WeakPolarHBondContact O-CB 3.48Å; N154-E157 PolarHBondContact O-N 2.96Å; N154-I158 PolarHBondContact O-N 3.34Å
155I60.1Low55.7Low128 Ų128120.8 Ų120.866%0.65665%0.651SS**Hα-helixtrans-54.4-32.5176.4-63.9168.4000111.2E157 I158 M159I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 2.79Å; I155-I158 PolarHBondContact O-N 3.46Å; I155-M159 HydrophobicContact CG2-SD 4.37Å; I155-M159 WeakPolarHBondContact O-CG 3.07Å; I155-M159 PolarHBondContact O-N 3.16Å
156S60Low56.2Low73 Ų73122.5 Ų122.551%0.5166%0.661SS.*Hα-helixtrans-67.4-26.117552.30000114.4N154 R160N154-S156 PolarHBondContact O-N 2.79Å; N154-S156 VanDerWaalsContact O-N 3.07Å; N154-S156 PolarHBondContact OD1-N 3.1Å; N154-S156 VanDerWaalsContact OD1-N 3.08Å; N154-S156 PolarHBondContact OD1-OG 3Å; S156-R160 WeakPolarHBondContact O-CB 3.48Å; S156-R160 PolarHBondContact O-N 3.38Å
157E64.4Low56.7Low110 Ų110119.7 Ų119.751%0.51466%0.663SS.*Hα-helixtrans-76.7-37.4171.6-72.5176.6140.400111.9I153 N154 I155 R160 S161I153-E157 WeakPolarHBondContact CA-OE2 3.24Å; I153-E157 HydrophobicContact CG2-CB 3.89Å; I153-E157 WeakPolarHBondContact CG2-OE2 3.39Å; N154-E157 HydrophobicContact CB-CG 4.48Å; N154-E157 PolarHBondContact N-OE2 3.16Å; N154-E157 VanDerWaalsContact N-OE2 3.1Å; N154-E157 WeakPolarHBondContact O-CA 3.49Å; N154-E157 WeakPolarHBondContact O-CB 3.48Å; N154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 2.79Å; E157-R160 PolarHBondContact O-N 3.42Å; E157-R160 VanDerWaalsContact O-N 3.16Å; E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 VanDerWaalsContact O-N 3.09Å
158I63.7Low56.7Low64 Ų64122 Ų12233%0.32867%0.67SS.*Hα-helixtrans-62.8-46.3176.1-60.6174.1000110I153 N154 I155 R160 S161 F164I153-I158 HydrophobicContact CG2-CG1 3.97Å; N154-I158 PolarHBondContact O-N 3.34Å; I155-I158 PolarHBondContact O-N 3.46Å; I158-R160 PolarHBondContact O-N 2.98Å; I158-S161 PolarHBondContact O-N 2.79Å; I158-S161 PolarHBondContact O-OG 3.42Å; I158-F164 HydrophobicContact CG1-CE2 4.44Å; I158-F164 HydrophobicContact CG2-CD2 3.88Å; I158-F164 HydrophobicContact CG2-CE2 4.05Å; I158-F164 HydrophobicContact CG2-CG 4.45Å
159M56.9Low57.1Low156 Ų156122.4 Ų122.477%0.76867%0.669SS**THydrogen-bonded Turntrans-66-19.3177.6-67.6-176.376.600113.4I155I155-M159 HydrophobicContact CG2-SD 4.37Å; I155-M159 WeakPolarHBondContact O-CG 3.07Å; I155-M159 PolarHBondContact O-N 3.16Å
160R66.1Low57.7Low220 Ų220122 Ų12283%0.8367%0.669SS**THydrogen-bonded Turntrans-87.4-19.3175.6-157.7175.3-173.61140.2112.5S156 E157 I158 N162S156-R160 WeakPolarHBondContact O-CB 3.48Å; S156-R160 PolarHBondContact O-N 3.38Å; E157-R160 PolarHBondContact O-N 3.42Å; E157-R160 VanDerWaalsContact O-N 3.16Å; I158-R160 PolarHBondContact O-N 2.98Å; R160-N162 PolarHBondContact O-N 3.44Å
161S56Low57.7Low51 Ų51119.4 Ų119.436%0.35767%0.666SS.*SBendtrans-81.2108.7173.5660000110.1E157 I158 G163E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 VanDerWaalsContact O-N 3.09Å; I158-S161 PolarHBondContact O-N 2.79Å; I158-S161 PolarHBondContact O-OG 3.42Å; S161-G163 PolarHBondContact O-N 2.82Å
162N54.8Low57.8Low174 Ų174122.1 Ų122.193%0.9367%0.674SS**SBendtrans-72.644.6178.7-75.6-29.4000113.1R160R160-N162 PolarHBondContact O-N 3.44Å
163G59.7Low57.1Low59 Ų59122.1 Ų122.161%0.60867%0.671SS**  trans174.388.6-179.400000112.4S161S161-G163 PolarHBondContact O-N 2.82Å
164F52.7Low56.3Low141 Ų141125.8 Ų125.862%0.61868%0.684SS**  trans-114109.5163.6-121.6-88.3000108.2I158I158-F164 HydrophobicContact CG1-CE2 4.44Å; I158-F164 HydrophobicContact CG2-CD2 3.88Å; I158-F164 HydrophobicContact CG2-CE2 4.05Å; I158-F164 HydrophobicContact CG2-CG 4.45Å
165C54.5Low55Low122 Ų122128.5 Ų128.582%0.82470%0.699SS**  trans-95.9114168.8-62.80000107.5A167C165-A167 PolarHBondContact O-N 3.02Å; C165-A167 VanDerWaalsContact O-N 3.12Å
166L59.7Low54.4Low163 Ų163129.9 Ų129.985%0.85371%0.707SS**  trans-72.6101.1168.8-64.8174.3000107.6N168L166-N168 PolarHBondContact O-N 3.23Å
167A53.4Low53.7Low89 Ų89131.1 Ų131.174%0.73672%0.716SS**  trans-73112169.100000108C165 T169C165-A167 PolarHBondContact O-N 3.02Å; C165-A167 VanDerWaalsContact O-N 3.12Å; A167-T169 PolarHBondContact O-N 3.42Å; A167-T169 VanDerWaalsContact O-N 3.14Å
168N43.8Very low52.6Low148 Ų148133.5 Ų133.579%0.79173%0.731SS**  trans-67.6105.6176.2-145.712.9000107.8L166 E170L166-N168 PolarHBondContact O-N 3.23Å; N168-E170 VanDerWaalsContact C-N 3.33Å; N168-E170 PolarHBondContact O-N 3.45Å; N168-E170 VanDerWaalsContact O-N 3.13Å
169T56.8Low51.7Low129 Ų129136.4 Ų136.479%0.79175%0.754SS**  trans-85.679.9176.156.10000109.1A167A167-T169 PolarHBondContact O-N 3.42Å; A167-T169 VanDerWaalsContact O-N 3.14Å
170E58.5Low50.8Low163 Ų163137.6 Ų137.676%0.76276%0.757SS**  trans-68.2132.8163.251.9-165164.200110N168 I172N168-E170 VanDerWaalsContact C-N 3.33Å; N168-E170 PolarHBondContact O-N 3.45Å; N168-E170 VanDerWaalsContact O-N 3.13Å; E170-I172 PolarHBondContact O-N 2.86Å
171T53.1Low49.2Very low130 Ų130133.9 Ų133.980%0.79875%0.75SS**  trans-56.6115.1-171.6-53.60000112.5V173T171-V173 PolarHBondContact O-N 3.48Å
172I54.3Low48.3Very low127 Ų127139 Ų13965%0.65177%0.765SS**  trans-83.6111.5170.4-52.6174.6000108.1E170 F174E170-I172 PolarHBondContact O-N 2.86Å; I172-F174 HydrophobicContact CB-CE2 4.16Å; I172-F174 HydrophobicContact CB-CZ 4.29Å; I172-F174 HydrophobicContact CG2-CD1 4.38Å; I172-F174 HydrophobicContact CG2-CD2 4.31Å; I172-F174 HydrophobicContact CG2-CE1 4Å; I172-F174 HydrophobicContact CG2-CE2 3.92Å; I172-F174 HydrophobicContact CG2-CZ 3.75Å
173V44.8Very low47.2Very low128 Ų128140.1 Ų140.178%0.77677%0.765SS**  trans-82.6119.1167.9-174.40000107.1T171T171-V173 PolarHBondContact O-N 3.48Å
174F43.8Very low45.8Very low168 Ų168148.7 Ų148.774%0.73778%0.779SS**  trans-90.7121.5174.6-67.2-84.1000109.2I172I172-F174 HydrophobicContact CB-CE2 4.16Å; I172-F174 HydrophobicContact CB-CZ 4.29Å; I172-F174 HydrophobicContact CG2-CD1 4.38Å; I172-F174 HydrophobicContact CG2-CD2 4.31Å; I172-F174 HydrophobicContact CG2-CE1 4Å; I172-F174 HydrophobicContact CG2-CE2 3.92Å; I172-F174 HydrophobicContact CG2-CZ 3.75Å
175D38.8Very low45.6Very low155 Ų155147.4 Ų147.483%0.82979%0.785SS**  trans-97.3107.8170.9-160.811.1000107.9
176D46.9Very low44.3Very low157 Ų157146.7 Ų146.784%0.8478%0.781SS**  trans-94.194.2-178.4-99.1-17.9000109.7
177S44.8Very low42.8Very low100 Ų100143.8 Ų143.870%0.69977%0.774SS**  trans-169.990.7149.555.40000113.7
178I41.3Very low41.8Very low160 Ų160145.9 Ų145.982%0.82178%0.778SS**  trans-151.2132.4149.2-53-179.8000109.8
179P45.1Very low41Very low124 Ų124145.8 Ų145.881%0.80578%0.777SS**  trans-104.5136.5147.712.37.1000111.6
180E37.8Very low39.9Very low181 Ų181144.8 Ų144.885%0.84678%0.776SS**  trans-56160.3169.1-57.4178.8135.500111.4
181E33.2Very low38.6Very low143 Ų143140.6 Ų140.667%0.66878%0.777SS**  cis-174.2157.437.4-145.3-162.3164.300109.1
182K35.5Very low37.5Very low159 Ų159142.5 Ų142.569%0.69178%0.777SS**  trans65.7113.5155-73.7179.7-179.3111.80121.9
183E32.2Very low36.5Very low196 Ų196145.6 Ų145.692%0.91679%0.788SS**  172.1149.3105.1-89-168.916600110.8
184R31Very low35.8Very low240 Ų240144.7 Ų144.791%0.90678%0.783SS**  trans-79.4-167.5-176-61.5174.3158.5158.5-5112.6
185P48.1Very low35.2Very low114 Ų114147.1 Ų147.174%0.7479%0.789SS**  -120.2158.5-8438.9-23.5000111.7
186S27Very low34.7Very low107 Ų107147.9 Ų147.975%0.74879%0.787SS**  trans165.8125144.856.60000113.6
187S29.2Very low34Very low102 Ų102147.2 Ų147.271%0.71378%0.784SS**  trans49.2154.3133.261.50000123.7
188T31.1Very low33.3Very low132 Ų132145 Ų14581%0.8178%0.776SS**  trans77.4103.716431.50000115.8
189D28.1Very low32.9Very low146 Ų146144.3 Ų144.378%0.78178%0.78SS**  85.8146.774-170.937.1000112.7
190S33.5Very low32.2Very low108 Ų108145.4 Ų145.476%0.75577%0.774SS**  trans80.3132.9172-38.60000116
191G30.6Very low31.7Very low76 Ų76144.7 Ų144.778%0.78477%0.769SS**  cis-175.6156.26.100000110
192E31Very low31.7Very low170 Ų170145 Ų14579%0.79477%0.774SS**  trans-53.8159.2176-58.2165.2144.500113.1
193H33.5Very low32.4Very low191 Ų191142.8 Ų142.888%0.88478%0.776SS**  -161.9104.5129.9-83.9-52.6000111.2
194T29.4Very low32.3Very low110 Ų110141.8 Ų141.868%0.67577%0.773SS**  trans-75.8151.2160.6-60.70000111.3
195Y30.7Very low32.4Very low219 Ų219138 Ų13886%0.85977%0.766SS**  trans-179.1112.2142.6-78.5-63.1000106.1
196E29.7Very low31.8Very low171 Ų171136.5 Ų136.580%0.79976%0.763SS**  41.6134.867.6-75.9-103.9129.500112.4
197D30.7Very low31.9Very low143 Ų143138.9 Ų138.977%0.76577%0.768SS**  cis-174.6140.215.6171.145.9000104.5
198G31.4Very low32.2Very low53 Ų53139.3 Ų139.355%0.54677%0.766SS.*  98.6112.989.600000114.5
199T31.1Very low32.3Very low146 Ų146139.5 Ų139.590%0.89677%0.771SS**  trans-178.3159.7146.5-10.40000111.1
200E31Very low32.7Very low147 Ų147139.5 Ų139.569%0.68777%0.771SS**  -168.2149.8-71.9-150.5176.5-164.800105.9
201F28.1Very low33.1Very low165 Ų165143 Ų14372%0.72478%0.775SS**  trans71.1145.2167.3-57.9-82.1000120.4
202L32.3Very low33.6Very low151 Ų151146.8 Ų146.879%0.79177%0.773SS**  cis-173.1173.4-19.5-108.6-170.6000107.5
203P51.7Low34.3Very low111 Ų111145.8 Ų145.872%0.72178%0.778SS**  trans-95.1172.1-161.639.5-38.5000115.3
204M29.6Very low34.9Very low175 Ų175144 Ų14486%0.86277%0.77SS**  trans-155.8114.7164-163.8151.4179.300113.9
205E33.7Very low35.8Very low160 Ų160142.8 Ų142.875%0.74877%0.772SS**  trans37.1122.5131.6-49.4-59.811300119.8
206A33.7Very low36.5Very low83 Ų83142.9 Ų142.969%0.68677%0.772SS**  86116.361.600000115.4
207D30.5Very low37.3Very low157 Ų157140.3 Ų140.384%0.8477%0.768SS**  trans-173.792139.3-136.52.3000109.5
208V35.9Very low38.2Very low112 Ų112138.9 Ų138.968%0.67977%0.765SS**  55.3108.894.7-167.60000115.9
209C31.4Very low39.2Very low136 Ų136143.5 Ų143.592%0.91978%0.777SS**  trans-146111.4137.7-139.90000109.1
210D38.1Very low40.5Very low146 Ų146142.1 Ų142.178%0.78176%0.763SS**  trans-57.2133177.1-83.7-49.4000113
211Q40.5Very low41.6Very low180 Ų180140.3 Ų140.384%0.84177%0.766SS**  trans-154.1100.6140.5-150.7137.536.800111.5
212E40.8Very low42.9Very low157 Ų157141.7 Ų141.773%0.73477%0.768SS**  trans29.2105.7153.4-71.5170.7159.200119.3E214E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 2.74Å
213T46.8Very low44.3Very low149 Ų149144.8 Ų144.891%0.91477%0.771SS**  trans-69.181.3163.1-46.90000110.7A215T213-A215 PolarHBondContact O-N 3.29Å
214E45.4Very low44.5Very low152 Ų152148 Ų14871%0.7178%0.776SS**  trans-77.7101.8167-72.6-103.7145.600108.9E212 Y216E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 2.74Å; E214-Y216 PolarHBondContact O-N 2.86Å
215A48.3Very low45.9Very low85 Ų85147.3 Ų147.370%0.70278%0.775SS**  trans-61.6109170.700000109T213 V217T213-A215 PolarHBondContact O-N 3.29Å; A215-V217 PolarHBondContact O-N 2.68Å
216Y45.4Very low47.1Very low221 Ų221145.2 Ų145.287%0.86777%0.773SS**  trans-60101.5172.5-71.9-88.7000109.4E214 T218E214-Y216 PolarHBondContact O-N 2.86Å; Y216-T218 PolarHBondContact O-N 2.92Å
217V47.8Very low48.3Very low117 Ų117146.9 Ų146.971%0.70978%0.777SS**  trans-69.896.9166.3178.80000107A215 N219A215-V217 PolarHBondContact O-N 2.68Å; V217-N219 VanDerWaalsContact C-N 3.35Å; V217-N219 PolarHBondContact O-N 3.14Å
218T48.9Very low49.5Very low114 Ų114148 Ų14870%0.69977%0.774SS**  trans-66.294.1166.430.90000109.2Y216 L220Y216-T218 PolarHBondContact O-N 2.92Å; T218-L220 HydrophobicContact CG2-CD1 4.1Å; T218-L220 PolarHBondContact O-N 3.34Å
219N52.8Low50.6Low150 Ų150151.8 Ų151.880%0.80279%0.785SS**  trans-71.180.4161.3-83.8-36000108.8V217 S221V217-N219 VanDerWaalsContact C-N 3.35Å; V217-N219 PolarHBondContact O-N 3.14Å; N219-S221 PolarHBondContact O-N 2.87Å
220L57.5Low51.8Low117 Ų117150.6 Ų150.661%0.61377%0.773SS**  trans-76.8105.1164.6-100.182.2000108.6T218 Y222T218-L220 HydrophobicContact CG2-CD1 4.1Å; T218-L220 PolarHBondContact O-N 3.34Å; L220-Y222 HydrophobicContact CB-CD2 4.47Å; L220-Y222 HydrophobicContact CB-CE2 4.43Å; L220-Y222 HydrophobicContact CD2-CE2 4.01Å; L220-Y222 PolarHBondContact O-N 2.96Å
221S55.6Low52.8Low108 Ų108151.2 Ų151.276%0.75578%0.777SS**  trans-77.4106.1160400000108.9N219 Y223N219-S221 PolarHBondContact O-N 2.87Å; S221-Y223 PolarHBondContact O-N 3.02Å
222Y55.2Low53.7Low195 Ų195150.1 Ų150.177%0.76578%0.775SS**  trans-70.6125.6169.2-89.8-94.9000109.5L220 H224L220-Y222 HydrophobicContact CB-CD2 4.47Å; L220-Y222 HydrophobicContact CB-CE2 4.43Å; L220-Y222 HydrophobicContact CD2-CE2 4.01Å; L220-Y222 PolarHBondContact O-N 2.96Å; Y222-H224 PolarHBondContact O-N 2.86Å
223Y60.6Low54.5Low216 Ų216150.9 Ų150.985%0.84778%0.783SS**  trans-66.9115.9165.9-73-85.2000108.8S221 L225S221-Y223 PolarHBondContact O-N 3.02Å; Y223-L225 PolarHBondContact O-N 3.02Å
224H56.6Low54.8Low177 Ų177156.5 Ų156.582%0.81980%0.799SS**  trans-73.1110.2168.6-103.9-88.1000108.8Y222 V226Y222-H224 PolarHBondContact O-N 2.86Å; H224-V226 PolarHBondContact O-N 2.75Å
225L58.1Low55.2Low162 Ų162156.7 Ų156.785%0.84880%0.803SS**  trans-75.1114169.3-67.6173.4000108.5Y223Y223-L225 PolarHBondContact O-N 3.02Å
226V58.8Low55.6Low116 Ų116160.5 Ų160.570%0.70381%0.809SS**  trans-80.8126.9174.4-175.70000108H224 F228H224-V226 PolarHBondContact O-N 2.75Å; V226-F228 PolarHBondContact O-N 3.07Å
227P60.3Low56.2Low117 Ų117157.1 Ų157.176%0.7681%0.805SS**  trans-66.9128.5174.925.5-30.1000109.9
228F55.2Low56.7Low181 Ų181159.5 Ų159.579%0.79481%0.811SS**  trans-90.8115.2168.327-89.9000108V226 T230V226-F228 PolarHBondContact O-N 3.07Å; F228-T230 PolarHBondContact O-N 3.25Å
229E59.2Low57.2Low192 Ų192162.3 Ų162.390%0.89782%0.818SS**  trans-65.9117.3167.8-68.6-177.8158.400108.1
230T56.1Low57.4Low110 Ų110163.1 Ų163.168%0.67582%0.819SS**  trans-90.8105.8167.549.90000107.8F228 I232F228-T230 PolarHBondContact O-N 3.25Å; T230-I232 PolarHBondContact O-N 2.95Å; T230-I232 VanDerWaalsContact O-N 3.12Å
231D58.8Low57.4Low160 Ų160166.4 Ų166.486%0.85683%0.834SS**  trans-60.7109.8165.5-92.9-24.8000108.8
232I59.1Low57.6Low157 Ų157170.9 Ų170.981%0.80584%0.84SS**  trans-90.8105.2168.6-39.9176.5000105.5T230T230-I232 PolarHBondContact O-N 2.95Å; T230-I232 VanDerWaalsContact O-N 3.12Å
233L59.1Low57.8Low172 Ų172168.9 Ų168.990%0.90185%0.846SS**  trans-69.2131171-82.1161.7000109.5
234E51.6Low57.5Low267 Ų267164.6 Ų164.6100%1.24885%0.846SS**  trans-63.80-176.7-159.2174.1-158.600114.1

Retrieved 234 of 234 residues in 114.8 ms (Link to these results)

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