A0A077ZL74_TRITR Loading...

Helix-turn-helix domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZL74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M39.9Very low49Very low243 Ų243121.7 Ų121.7100%1.19775%0.746SS**  099.50-83179.8175.100108.4
2T35.2Very low52.3Low130 Ų130117.5 Ų117.580%0.79871%0.711SS**  trans-154.794.3151.6-33.60000106.4L4T2-L4 PolarHBondContact O-N 3.19Å
3S38.2Very low55.3Low114 Ų114113.5 Ų113.580%0.79768%0.684SS**PPolyproline II helixtrans-63.3119.416246.70000106.9
4L39.9Very low58.1Low160 Ų160110.9 Ų110.984%0.83867%0.668SS**PPolyproline II helixtrans-64.2126176-75.1165000108.7T2T2-L4 PolarHBondContact O-N 3.19Å
5P40.3Very low60.4Low110 Ų110111.7 Ų111.771%0.71466%0.66SS**PPolyproline II helixtrans-73.3138.8179.829.6-30.4000109.5N7P5-N7 PolarHBondContact O-N 3.07Å
6G44.8Very low62.5Low83 Ų83106.9 Ų106.986%0.85663%0.63SS**  trans-6097.9-168.600000114.6
7N42Very low64.4Low157 Ų157108.5 Ų108.584%0.8463%0.629SS**  trans-114.938.1163.4-163.542.4000110.3P5 G9P5-N7 PolarHBondContact O-N 3.07Å; N7-G9 VanDerWaalsContact C-N 3.33Å
8E52.4Low66.1Low141 Ų141106.6 Ų106.666%0.65962%0.62SS**  trans-81.8-12.6176.4-67.6-70.5157.100112.3G10 N11E8-G10 PolarHBondContact O-N 3.17Å; E8-N11 PolarHBondContact O-N 3.02Å
9G53.7Low67.5Low40 Ų40103.3 Ų103.341%0.41260%0.599SS.*THydrogen-bonded Turntrans-63.73-171.800000116.9N7 E12 N13N7-G9 VanDerWaalsContact C-N 3.33Å; G9-E12 VanDerWaalsContact CA-OE2 3.32Å; G9-E12 WeakPolarHBondContact CA-OE2 3.4Å; G9-N13 PolarHBondContact O-ND2 3.07Å; G9-N13 VanDerWaalsContact O-ND2 3.15Å
10G67.9Low68.9Low47 Ų47100.4 Ų100.449%0.48558%0.581SS.*THydrogen-bonded Turntrans-85.5-32.6175.600000113.9E8 V14E8-G10 PolarHBondContact O-N 3.17Å; G10-V14 WeakPolarHBondContact O-CG2 3.45Å
11N85.1Confident70.2Confident114 Ų114102.3 Ų102.361%0.6158%0.584SS**Hα-helixtrans-81.4-38.1-168.6-163-8.2000112.5E8 N13 V14 F15E8-N11 PolarHBondContact O-N 3.02Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 3.4Å; N11-V14 PolarHBondContact O-N 3.33Å; N11-F15 PolarHBondContact O-N 3.32Å
12E88.6Confident72.7Confident71 Ų7196.5 Ų96.533%0.33256%0.555SS.*Hα-helixtrans-72.1-31.8-176.5-41.990157.100112G9 F15 L16 I31G9-E12 VanDerWaalsContact CA-OE2 3.32Å; G9-E12 WeakPolarHBondContact CA-OE2 3.4Å; E12-F15 PolarHBondContact O-N 3.04Å; E12-L16 WeakPolarHBondContact O-CB 3.28Å; E12-L16 PolarHBondContact O-N 3.14Å; E12-I31 HydrophobicContact CB-CD1 3.74Å; E12-I31 HydrophobicContact CG-CD1 4.46Å
13N91.5Very high75.4Confident66 Ų6695.2 Ų95.235%0.35354%0.538SS..Hα-helixtrans-66.4-41.7173.8-68.5-21000110.9G9 N11 L16 E17 K33G9-N13 PolarHBondContact O-ND2 3.07Å; G9-N13 VanDerWaalsContact O-ND2 3.15Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 3.4Å; N13-L16 PolarHBondContact O-N 3.34Å; N13-E17 WeakPolarHBondContact O-CG 3.46Å; N13-E17 PolarHBondContact O-N 2.85Å; N13-K33 PolarHBondContact OD1-NZ 3.36Å
14V93.8Very high77.9Confident77 Ų7793.6 Ų93.647%0.46753%0.525SS..Hα-helixtrans-62.2-44.5174.7172.70000110.5G10 N11 L16 E17 V18G10-V14 WeakPolarHBondContact O-CG2 3.45Å; N11-V14 PolarHBondContact O-N 3.33Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.05Å; V14-E17 WeakPolarHBondContact O-CB 3.15Å; V14-E17 PolarHBondContact O-N 3.43Å; V14-V18 WeakPolarHBondContact O-CG2 3.38Å; V14-V18 PolarHBondContact O-N 3.21Å
15F92.7Very high80.3Confident123 Ų12394.3 Ų94.354%0.53953%0.529SS..Hα-helixtrans-59.6-44175.2-180-110.1000112.2N11 E12 E17 V18 L19N11-F15 PolarHBondContact O-N 3.32Å; E12-F15 PolarHBondContact O-N 3.04Å; F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 2.95Å; F15-V18 PolarHBondContact O-N 3.27Å; F15-L19 HydrophobicContact CD1-CD1 3.96Å; F15-L19 HydrophobicContact CD1-CG 4.44Å; F15-L19 HydrophobicContact CE1-CD1 3.41Å; F15-L19 VanDerWaalsContact CE1-CD1 3.41Å; F15-L19 HydrophobicContact CE1-CG 4.08Å; F15-L19 HydrophobicContact CE2-CD1 4.45Å; F15-L19 HydrophobicContact CE2-CD2 4.36Å; F15-L19 HydrophobicContact CE2-CG 4.28Å; F15-L19 HydrophobicContact CZ-CD1 3.7Å; F15-L19 HydrophobicContact CZ-CD2 4.11Å; F15-L19 HydrophobicContact CZ-CG 3.99Å; F15-L19 WeakPolarHBondContact O-CG 3.36Å; F15-L19 PolarHBondContact O-N 3.2Å
16L94.6Very high82.9Confident35 Ų3594.9 Ų94.918%0.18353%0.531CS..Hα-helixtrans-63.3-38.4176.5-17764.2000112.3E12 N13 V14 N20 F29 I31E12-L16 WeakPolarHBondContact O-CB 3.28Å; E12-L16 PolarHBondContact O-N 3.14Å; N13-L16 PolarHBondContact O-N 3.34Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.05Å; L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 PolarHBondContact O-N 3.48Å; L16-N20 PolarHBondContact O-ND2 3.12Å; L16-F29 HydrophobicContact CD1-CB 3.71Å; L16-F29 WeakPolarHBondContact CD1-O 3.13Å; L16-I31 HydrophobicContact CD2-CB 4.38Å; L16-I31 HydrophobicContact CD2-CG2 3.88Å
17E94.2Very high85.3Confident133 Ų13395 Ų9562%0.62151%0.511SS*.Hα-helixtrans-64.1-46.2174.7-76.2173.5-172.700111.3N13 V14 F15 L19 N20 H21N13-E17 WeakPolarHBondContact O-CG 3.46Å; N13-E17 PolarHBondContact O-N 2.85Å; V14-E17 WeakPolarHBondContact O-CB 3.15Å; V14-E17 PolarHBondContact O-N 3.43Å; F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 2.95Å; E17-L19 PolarHBondContact O-N 3.45Å; E17-N20 PolarHBondContact O-N 3Å; E17-H21 VanDerWaalsContact O-CB 3.27Å; E17-H21 WeakPolarHBondContact O-CB 3.36Å; E17-H21 PolarHBondContact O-N 3.44Å
18V94.7Very high87.8Confident75 Ų7596 Ų9646%0.45551%0.508SS..Hα-helixtrans-58.4-49.1175.4171.90000110.5V14 F15 N20 H21 E22V14-V18 WeakPolarHBondContact O-CG2 3.38Å; V14-V18 PolarHBondContact O-N 3.21Å; F15-V18 PolarHBondContact O-N 3.27Å; V18-N20 VanDerWaalsContact C-N 3.32Å; V18-N20 PolarHBondContact O-N 3.1Å; V18-H21 WeakPolarHBondContact O-CB 3.4Å; V18-H21 PolarHBondContact O-N 3.08Å; V18-H21 VanDerWaalsContact O-N 3.1Å; V18-E22 HydrophobicContact CG1-CG 4.28Å; V18-E22 WeakPolarHBondContact O-CG 3.34Å; V18-E22 PolarHBondContact O-N 2.99Å
19L93.9Very high89.9Confident43 Ų4392.6 Ų92.623%0.22549%0.491CS..Hα-helixtrans-59-41.7178.5-72.4-178.4000112.9F15 E17 H21 F23 F29F15-L19 HydrophobicContact CD1-CD1 3.96Å; F15-L19 HydrophobicContact CD1-CG 4.44Å; F15-L19 HydrophobicContact CE1-CD1 3.41Å; F15-L19 VanDerWaalsContact CE1-CD1 3.41Å; F15-L19 HydrophobicContact CE1-CG 4.08Å; F15-L19 HydrophobicContact CE2-CD1 4.45Å; F15-L19 HydrophobicContact CE2-CD2 4.36Å; F15-L19 HydrophobicContact CE2-CG 4.28Å; F15-L19 HydrophobicContact CZ-CD1 3.7Å; F15-L19 HydrophobicContact CZ-CD2 4.11Å; F15-L19 HydrophobicContact CZ-CG 3.99Å; F15-L19 WeakPolarHBondContact O-CG 3.36Å; F15-L19 PolarHBondContact O-N 3.2Å; E17-L19 PolarHBondContact O-N 3.45Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-F23 WeakPolarHBondContact O-CD2 3.11Å; L19-F29 HydrophobicContact CB-CB 4.49Å; L19-F29 HydrophobicContact CB-CD2 3.81Å; L19-F29 HydrophobicContact CB-CE2 4.24Å; L19-F29 HydrophobicContact CB-CG 4.18Å; L19-F29 HydrophobicContact CD1-CD1 4.45Å; L19-F29 HydrophobicContact CD1-CG 4.35Å
20N95.1Very high91.8Very high45 Ų4596.2 Ų96.224%0.24151%0.505CS..Hα-helixtrans-74.1-25.4177.8-76.8-53000112.9L16 E17 V18 K28 F29L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 PolarHBondContact O-N 3.48Å; L16-N20 PolarHBondContact O-ND2 3.12Å; E17-N20 PolarHBondContact O-N 3Å; V18-N20 VanDerWaalsContact C-N 3.32Å; V18-N20 PolarHBondContact O-N 3.1Å; N20-K28 WeakPolarHBondContact OD1-CA 3.46Å; N20-F29 PolarHBondContact ND2-O 2.84Å; N20-F29 PolarHBondContact OD1-N 3.34Å
21H94.9Very high93Very high141 Ų14197.5 Ų97.565%0.65350%0.5SS*.Hα-helixtrans-75.4-40176-175.176.1000112.6E17 V18 L19 F23 P24E17-H21 VanDerWaalsContact O-CB 3.27Å; E17-H21 WeakPolarHBondContact O-CB 3.36Å; E17-H21 PolarHBondContact O-N 3.44Å; V18-H21 WeakPolarHBondContact O-CB 3.4Å; V18-H21 PolarHBondContact O-N 3.08Å; V18-H21 VanDerWaalsContact O-N 3.1Å; L19-H21 VanDerWaalsContact C-N 3.33Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 2.89Å; H21-P24 VanDerWaalsContact O-CD 3.31Å; H21-P24 WeakPolarHBondContact O-CD 3.34Å
22E94.4Very high93.4Very high122 Ų12298.8 Ų98.857%0.5750%0.502SS*.Hα-helixtrans-70.2-27.6-178.2-70.3-60.413200113.1V18 P24V18-E22 HydrophobicContact CG1-CG 4.28Å; V18-E22 WeakPolarHBondContact O-CG 3.34Å; V18-E22 PolarHBondContact O-N 2.99Å; E22-P24 WeakPolarHBondContact O-CD 3.03Å
23F91.7Very high93.5Very high103 Ų103100.1 Ų100.145%0.45251%0.507SS..SBendtrans-122.854.5-177.9-55.6-74.5000113.1L19 H21 N25 V26 I27 F29L19-F23 WeakPolarHBondContact O-CD2 3.11Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 2.89Å; F23-N25 PolarHBondContact O-N 3.3Å; F23-V26 PolarHBondContact O-N 2.91Å; F23-I27 HydrophobicContact CB-CG2 3.84Å; F23-I27 HydrophobicContact CG-CG2 4.49Å; F23-F29 HydrophobicContact CD2-CE2 4.01Å
24P89.7Confident93.6Very high79 Ų79100.8 Ų100.851%0.51351%0.508SS..THydrogen-bonded Turntrans-67.2136.1-172.430.9-32.4000110H21 E22 V26H21-P24 VanDerWaalsContact O-CD 3.31Å; H21-P24 WeakPolarHBondContact O-CD 3.34Å; E22-P24 WeakPolarHBondContact O-CD 3.03Å; P24-V26 PolarHBondContact O-N 3.45Å; P24-V26 VanDerWaalsContact O-N 3.1Å
25N91Very high93.7Very high175 Ų175101.8 Ų101.894%0.93651%0.514SS*.THydrogen-bonded Turntrans63.25.6-179.7-47.8-56.4000116.2F23F23-N25 PolarHBondContact O-N 3.3Å
26V94.4Very high93.8Very high123 Ų123103.5 Ų103.575%0.74552%0.524SS*.THydrogen-bonded Turntrans-99.4-52.5175.4-179.20000110.4F23 P24F23-V26 PolarHBondContact O-N 2.91Å; P24-V26 PolarHBondContact O-N 3.45Å; P24-V26 VanDerWaalsContact O-N 3.1Å
27I95.1Very high93.9Very high86 Ų86107 Ų10744%0.44154%0.539SS..  trans-145.2143.2-178.8-176164.7000109F23 F29F23-I27 HydrophobicContact CB-CG2 3.84Å; F23-I27 HydrophobicContact CG-CG2 4.49Å; I27-F29 HydrophobicContact CB-CE2 4.48Å; I27-F29 HydrophobicContact CD1-CE1 4.09Å; I27-F29 HydrophobicContact CD1-CZ 4.08Å; I27-F29 HydrophobicContact CG1-CE2 4.41Å; I27-F29 HydrophobicContact CG1-CZ 4.37Å; I27-F29 HydrophobicContact CG2-CD2 4.13Å; I27-F29 HydrophobicContact CG2-CE2 3.37Å; I27-F29 HydrophobicContact CG2-CZ 3.67Å
28K95.5Very high94.1Very high178 Ų178104.8 Ų104.877%0.77453%0.528SS*.  trans-110.9112171.3-174.2174-177.7176.30108.6N20N20-K28 WeakPolarHBondContact OD1-CA 3.46Å
29F95.1Very high94.2Very high69 Ų69103.3 Ų103.330%0.30352%0.519SS..  trans-77.1147.6175.6-64.7-86.1000110.4L16 L19 N20 F23 I27L16-F29 HydrophobicContact CD1-CB 3.71Å; L16-F29 WeakPolarHBondContact CD1-O 3.13Å; L19-F29 HydrophobicContact CB-CB 4.49Å; L19-F29 HydrophobicContact CB-CD2 3.81Å; L19-F29 HydrophobicContact CB-CE2 4.24Å; L19-F29 HydrophobicContact CB-CG 4.18Å; L19-F29 HydrophobicContact CD1-CD1 4.45Å; L19-F29 HydrophobicContact CD1-CG 4.35Å; N20-F29 PolarHBondContact ND2-O 2.84Å; N20-F29 PolarHBondContact OD1-N 3.34Å; F23-F29 HydrophobicContact CD2-CE2 4.01Å; I27-F29 HydrophobicContact CB-CE2 4.48Å; I27-F29 HydrophobicContact CD1-CE1 4.09Å; I27-F29 HydrophobicContact CD1-CZ 4.08Å; I27-F29 HydrophobicContact CG1-CE2 4.41Å; I27-F29 HydrophobicContact CG1-CZ 4.37Å; I27-F29 HydrophobicContact CG2-CD2 4.13Å; I27-F29 HydrophobicContact CG2-CE2 3.37Å; I27-F29 HydrophobicContact CG2-CZ 3.67Å
30T94.6Very high94.3Very high116 Ų116104.1 Ų104.171%0.71252%0.523SS*.  trans-131.1151.9171.656.10000108.7
31I92.9Very high94.3Very high73 Ų73107.8 Ų107.837%0.37454%0.537SS..  trans-115133.2173.4-166.1171.2000109.3E12 L16 K33E12-I31 HydrophobicContact CB-CD1 3.74Å; E12-I31 HydrophobicContact CG-CD1 4.46Å; L16-I31 HydrophobicContact CD2-CB 4.38Å; L16-I31 HydrophobicContact CD2-CG2 3.88Å; I31-K33 HydrophobicContact CG2-CG 4.28Å
32E92.6Very high94.2Very high142 Ų142107.2 Ų107.266%0.66454%0.538SS*.PPolyproline II helixtrans-96.3122.8167.7-65.9-176.4175.700107.6
33K91.8Very high94.1Very high99 Ų99105.1 Ų105.143%0.4353%0.531SS..PPolyproline II helixtrans-99.4147-178.3-60.2-170.7-176.9-169.20109.8N13 I31 V35N13-K33 PolarHBondContact OD1-NZ 3.36Å; I31-K33 HydrophobicContact CG2-CG 4.28Å; K33-V35 PolarHBondContact O-N 2.94Å
34E93.7Very high94.4Very high79 Ų79102.4 Ų102.437%0.36952%0.521SS..PPolyproline II helixtrans-61.9132.6170.3-171.4-179.1-177.100110.1E37 K38 R48E34-E37 VanDerWaalsContact OE1-C 3.26Å; E34-E37 WeakPolarHBondContact OE1-CA 3.4Å; E34-K38 CarbonylContact C-O 3.6Å; E34-K38 WeakPolarHBondContact CA-O 3Å; E34-R48 VanDerWaalsContact CD-NH1 3.27Å; E34-R48 VanDerWaalsContact OE1-CB 3.26Å; E34-R48 WeakPolarHBondContact OE1-CB 3.27Å; E34-R48 WeakPolarHBondContact OE1-CD 3.2Å; E34-R48 IonicContact OE1-CZ 3.29Å; E34-R48 IonicContact OE1-NE 3.25Å; E34-R48 PolarHBondContact OE1-NE 3.06Å; E34-R48 IonicContact OE1-NH1 3.57Å; E34-R48 PolarHBondContact OE1-NH1 3.08Å; E34-R48 IonicContact OE1-NH2 3.37Å; E34-R48 IonicContact OE2-CZ 3.7Å; E34-R48 IonicContact OE2-NH1 3.1Å; E34-R48 PolarHBondContact OE2-NH1 2.69Å
35V95.3Very high94.8Very high99 Ų99100.4 Ų100.460%0.651%0.505SS*.BIsolated β-bridgetrans-129.6128.9177.4178.30000107.5K33 E37 K38K33-V35 PolarHBondContact O-N 2.94Å; V35-E37 VanDerWaalsContact C-N 3.25Å; V35-E37 PolarHBondContact O-N 3.02Å; V35-K38 PolarHBondContact N-O 3.16Å; V35-K38 WeakPolarHBondContact O-CB 3.2Å; V35-K38 PolarHBondContact O-N 2.67Å; V35-K38 VanDerWaalsContact O-O 3.13Å
36E95.4Very high95.1Very high158 Ų15894.2 Ų94.274%0.73847%0.472SS*.THydrogen-bonded Turntrans51.244.1-177.1-61.6179.8-179.200113.4K38E36-K38 WeakPolarHBondContact O-CG 3.49Å; E36-K38 PolarHBondContact O-N 2.81Å
37E96.6Very high95.3Very high108 Ų10889.3 Ų89.351%0.50544%0.441SS..THydrogen-bonded Turntrans63.620.7-179.6-48.2-166121.600114E34 V35 I47 R48E34-E37 VanDerWaalsContact OE1-C 3.26Å; E34-E37 WeakPolarHBondContact OE1-CA 3.4Å; V35-E37 VanDerWaalsContact C-N 3.25Å; V35-E37 PolarHBondContact O-N 3.02Å; E37-I47 CarbonylContact O-C 3.58Å; E37-I47 WeakPolarHBondContact O-CA 3.22Å; E37-R48 HydrophobicContact CB-CB 4.22Å; E37-R48 PolarHBondContact O-N 3.18Å; E37-R48 IonicContact OE1-NE 2.99Å; E37-R48 IonicContact OE1-NH2 2.71Å; E37-R48 PolarHBondContact OE1-NH2 3.44Å
38K97.1Very high95.3Very high88 Ų8891.1 Ų91.138%0.38344%0.442SS..EExtended strand (participates in β ladder)trans-130.5142-175.4-67166.8-169.51650111.6E34 V35 E36 L45 I46 I47E34-K38 CarbonylContact C-O 3.6Å; E34-K38 WeakPolarHBondContact CA-O 3Å; V35-K38 PolarHBondContact N-O 3.16Å; V35-K38 WeakPolarHBondContact O-CB 3.2Å; V35-K38 PolarHBondContact O-N 2.67Å; V35-K38 VanDerWaalsContact O-O 3.13Å; E36-K38 WeakPolarHBondContact O-CG 3.49Å; E36-K38 PolarHBondContact O-N 2.81Å; K38-L45 HydrophobicContact CB-CD1 3.93Å; K38-L45 HydrophobicContact CD-CD1 4.36Å; K38-L45 HydrophobicContact CG-CD1 4.21Å; K38-I46 CarbonylContact C-O 3.55Å; K38-I46 VanDerWaalsContact CA-O 3.3Å; K38-I46 WeakPolarHBondContact CA-O 3.15Å; K38-I47 HydrophobicContact CG-CG1 4.24Å; K38-I47 HydrophobicContact CG-CG2 4.4Å
39V96.8Very high95.3Very high44 Ų4484.5 Ų84.527%0.26742%0.418SS..EExtended strand (participates in β ladder)trans-141.3146.4170.466.50000109.7I46V39-I46 HydrophobicContact CG1-CB 3.85Å; V39-I46 HydrophobicContact CG1-CD1 4.38Å; V39-I46 HydrophobicContact CG1-CG2 4.24Å; V39-I46 PolarHBondContact N-O 3.29Å; V39-I46 WeakPolarHBondContact O-CB 3.31Å; V39-I46 PolarHBondContact O-N 3.22Å
40L96.1Very high95.2Very high60 Ų6091.1 Ų91.131%0.31445%0.45SS..EExtended strand (participates in β ladder)trans-95.6139.1179.7-59.7176.4000109.3L45 Y58L40-L45 HydrophobicContact CD2-CB 4.23Å; L40-L45 HydrophobicContact CD2-CD1 3.58Å; L40-Y58 HydrophobicContact CD1-CD1 4.25Å; L40-Y58 HydrophobicContact CD1-CD2 4.39Å; L40-Y58 HydrophobicContact CD1-CE1 3.62Å; L40-Y58 HydrophobicContact CD1-CE2 3.79Å; L40-Y58 WeakPolarHBondContact CD1-OH 3.32Å; L40-Y58 HydrophobicContact CD2-CD1 3.88Å; L40-Y58 HydrophobicContact CD2-CD2 3.37Å; L40-Y58 HydrophobicContact CD2-CE1 4.06Å; L40-Y58 HydrophobicContact CD2-CE2 3.6Å; L40-Y58 HydrophobicContact CD2-CG 3.52Å; L40-Y58 HydrophobicContact CG-CD1 4.48Å; L40-Y58 HydrophobicContact CG-CD2 4.49Å; L40-Y58 HydrophobicContact CG-CE1 4.32Å; L40-Y58 HydrophobicContact CG-CE2 4.35Å
41F94.8Very high95Very high121 Ų12193.3 Ų93.353%0.53145%0.453SS..EExtended strand (participates in β ladder)trans-141.7113.7167.4-176.6-108.5000110D43 I44 I46F41-D43 PolarHBondContact O-N 3.16Å; F41-I44 PolarHBondContact N-O 2.76Å; F41-I44 WeakPolarHBondContact O-CB 3.49Å; F41-I44 PolarHBondContact O-N 3.26Å; F41-I46 HydrophobicContact CB-CD1 3.91Å
42L92.8Very high95.1Very high129 Ų12991.5 Ų91.568%0.67545%0.451SS*.THydrogen-bonded Turntrans53.4-99.6-174.3-58.1174.5000111.8
43D93Very high95.3Very high79 Ų7990.5 Ų90.542%0.42245%0.449SS..THydrogen-bonded Turntrans-117.310.8-166.6-93.8-5.3000111.2F41 Y58 R89F41-D43 PolarHBondContact O-N 3.16Å; D43-Y58 PolarHBondContact O-N 3.14Å; D43-R89 VanDerWaalsContact CG-CZ 3.44Å; D43-R89 VanDerWaalsContact CG-NH1 3.34Å; D43-R89 PolarHBondContact O-NH2 3.35Å; D43-R89 IonicContact OD1-NH1 3.92Å; D43-R89 IonicContact OD1-NH2 3.41Å; D43-R89 PolarHBondContact OD1-NH2 2.91Å; D43-R89 IonicContact OD2-CZ 3.17Å; D43-R89 IonicContact OD2-NH1 2.7Å; D43-R89 PolarHBondContact OD2-NH1 2.86Å; D43-R89 IonicContact OD2-NH2 3.25Å; D43-R89 PolarHBondContact OD2-NH2 3.47Å
44I97.5Very high95.6Very high46 Ų4686.9 Ų86.924%0.23643%0.434CS..EExtended strand (participates in β ladder)trans-126131.2-172.8-53.8175.2000108.9F41 I46 T55 T56 I93F41-I44 PolarHBondContact N-O 2.76Å; F41-I44 WeakPolarHBondContact O-CB 3.49Å; F41-I44 PolarHBondContact O-N 3.26Å; I44-I46 HydrophobicContact CG2-CG1 3.91Å; I44-T55 HydrophobicContact CG2-CG2 3.66Å; I44-T56 WeakPolarHBondContact CA-O 3.3Å; I44-I93 HydrophobicContact CB-CG2 4.41Å; I44-I93 HydrophobicContact CD1-CD1 4.45Å; I44-I93 HydrophobicContact CD1-CG1 4.34Å; I44-I93 HydrophobicContact CG1-CD1 3.95Å; I44-I93 HydrophobicContact CG1-CG1 4.2Å; I44-I93 HydrophobicContact CG1-CG2 3.91Å; I44-I93 HydrophobicContact CG2-CG2 4.09Å
45L98Very high95.8Very high37 Ų3784.8 Ų84.819%0.19443%0.427CS..EExtended strand (participates in β ladder)trans-93.2114.5163.3171.664.5000107K38 L40 I47 T55 T56K38-L45 HydrophobicContact CB-CD1 3.93Å; K38-L45 HydrophobicContact CD-CD1 4.36Å; K38-L45 HydrophobicContact CG-CD1 4.21Å; L40-L45 HydrophobicContact CD2-CB 4.23Å; L40-L45 HydrophobicContact CD2-CD1 3.58Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CD2-CG1 4.32Å; L45-I47 HydrophobicContact CG-CD1 4.3Å; L45-I47 HydrophobicContact CG-CG1 3.95Å; L45-T55 WeakPolarHBondContact O-CA 3.5Å; L45-T56 HydrophobicContact CB-CG2 3.8Å; L45-T56 HydrophobicContact CD2-CG2 3.76Å; L45-T56 HydrophobicContact CG-CG2 4.09Å; L45-T56 PolarHBondContact N-O 2.9Å; L45-T56 PolarHBondContact O-N 3.35Å
46I98Very high95.9Very high45 Ų4581.1 Ų81.123%0.23140%0.404CS..EExtended strand (participates in β ladder)trans-94.9125.6178.6-56.3176.5000107.3K38 V39 F41 I44 I53 T55K38-I46 CarbonylContact C-O 3.55Å; K38-I46 VanDerWaalsContact CA-O 3.3Å; K38-I46 WeakPolarHBondContact CA-O 3.15Å; V39-I46 HydrophobicContact CG1-CB 3.85Å; V39-I46 HydrophobicContact CG1-CD1 4.38Å; V39-I46 HydrophobicContact CG1-CG2 4.24Å; V39-I46 PolarHBondContact N-O 3.29Å; V39-I46 WeakPolarHBondContact O-CB 3.31Å; V39-I46 PolarHBondContact O-N 3.22Å; F41-I46 HydrophobicContact CB-CD1 3.91Å; I44-I46 HydrophobicContact CG2-CG1 3.91Å; I46-I53 HydrophobicContact CG2-CG2 3.45Å; I46-I53 VanDerWaalsContact CG2-CG2 3.45Å; I46-T55 HydrophobicContact CG1-CG2 4.24Å
47I97.8Very high96Very high19 Ų1974.1 Ų74.110%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-120.6121.9-174.3-51.3174.2000107.7E37 K38 L45 K54 T56 Y98E37-I47 CarbonylContact O-C 3.58Å; E37-I47 WeakPolarHBondContact O-CA 3.22Å; K38-I47 HydrophobicContact CG-CG1 4.24Å; K38-I47 HydrophobicContact CG-CG2 4.4Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CD2-CG1 4.32Å; L45-I47 HydrophobicContact CG-CD1 4.3Å; L45-I47 HydrophobicContact CG-CG1 3.95Å; I47-K54 HydrophobicContact CB-CB 4.4Å; I47-K54 PolarHBondContact N-O 3.06Å; I47-K54 PolarHBondContact O-N 2.88Å; I47-T56 HydrophobicContact CD1-CG2 4.22Å; I47-Y98 HydrophobicContact CD1-CE1 4.21Å; I47-Y98 HydrophobicContact CD1-CE2 3.75Å; I47-Y98 WeakPolarHBondContact CD1-OH 3.35Å
48R97.1Very high96.1Very high124 Ų12471.7 Ų71.747%0.46836%0.359SS..EExtended strand (participates in β ladder)trans-79.8128.1172-170.2178.170.6-159.33.7108.9E34 E37E34-R48 VanDerWaalsContact CD-NH1 3.27Å; E34-R48 VanDerWaalsContact OE1-CB 3.26Å; E34-R48 WeakPolarHBondContact OE1-CB 3.27Å; E34-R48 WeakPolarHBondContact OE1-CD 3.2Å; E34-R48 IonicContact OE1-CZ 3.29Å; E34-R48 IonicContact OE1-NE 3.25Å; E34-R48 PolarHBondContact OE1-NE 3.06Å; E34-R48 IonicContact OE1-NH1 3.57Å; E34-R48 PolarHBondContact OE1-NH1 3.08Å; E34-R48 IonicContact OE1-NH2 3.37Å; E34-R48 IonicContact OE2-CZ 3.7Å; E34-R48 IonicContact OE2-NH1 3.1Å; E34-R48 PolarHBondContact OE2-NH1 2.69Å; E37-R48 HydrophobicContact CB-CB 4.22Å; E37-R48 PolarHBondContact O-N 3.18Å; E37-R48 IonicContact OE1-NE 2.99Å; E37-R48 IonicContact OE1-NH2 2.71Å; E37-R48 PolarHBondContact OE1-NH2 3.44Å
49S93.6Very high96Very high39 Ų3970.3 Ų70.327%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-127168.5177.775.90000110E51 G52S49-E51 PolarHBondContact O-N 3.32Å; S49-E51 PolarHBondContact OG-N 3.14Å; S49-G52 CarbonylContact C-O 3.6Å; S49-G52 WeakPolarHBondContact CA-O 3.4Å; S49-G52 PolarHBondContact N-O 3.37Å; S49-G52 PolarHBondContact O-N 3.31Å; S49-G52 VanDerWaalsContact O-O 3.08Å; S49-G52 PolarHBondContact OG-N 2.67Å; S49-G52 PolarHBondContact OG-O 3.03Å
50Q93.3Very high95.9Very high208 Ų20874.6 Ų74.697%0.97237%0.366SS*.THydrogen-bonded Turntrans-63.4-27.5175.5-62.9-175.80.200112.8
51E91.9Very high95.9Very high163 Ų16377.8 Ų77.876%0.76239%0.391SS*.THydrogen-bonded Turntrans-88-4-179.1-60.7-178.416600113.2S49 K54S49-E51 PolarHBondContact O-N 3.32Å; S49-E51 PolarHBondContact OG-N 3.14Å; E51-K54 IonicContact OE2-NZ 2.59Å; E51-K54 PolarHBondContact OE2-NZ 2.62Å
52G94.5Very high95.9Very high34 Ų3478 Ų7835%0.35140%0.402SS..EExtended strand (participates in β ladder)trans127.9-147.8-175.300000112.3S49S49-G52 CarbonylContact C-O 3.6Å; S49-G52 WeakPolarHBondContact CA-O 3.4Å; S49-G52 PolarHBondContact N-O 3.37Å; S49-G52 PolarHBondContact O-N 3.31Å; S49-G52 VanDerWaalsContact O-O 3.08Å; S49-G52 PolarHBondContact OG-N 2.67Å; S49-G52 PolarHBondContact OG-O 3.03Å
53I96.4Very high96Very high121 Ų12175.8 Ų75.862%0.62139%0.388SS*.EExtended strand (participates in β ladder)trans-96.2130.7-179-63.3171.6000108.9I46 T55I46-I53 HydrophobicContact CG2-CG2 3.45Å; I46-I53 VanDerWaalsContact CG2-CG2 3.45Å; I53-T55 HydrophobicContact CG2-CG2 4.33Å
54K97.5Very high96.2Very high24 Ų2476 Ų7610%0.10440%0.396CS..EExtended strand (participates in β ladder)trans-112.4157.2168.8-52.5-76.9177.8146.90109.2I47 E51 D95 E97 Y98I47-K54 HydrophobicContact CB-CB 4.4Å; I47-K54 PolarHBondContact N-O 3.06Å; I47-K54 PolarHBondContact O-N 2.88Å; E51-K54 IonicContact OE2-NZ 2.59Å; E51-K54 PolarHBondContact OE2-NZ 2.62Å; K54-D95 VanDerWaalsContact CA-OD2 3.26Å; K54-D95 WeakPolarHBondContact CA-OD2 3.31Å; K54-D95 HydrophobicContact CB-CB 4.39Å; K54-D95 HydrophobicContact CD-CB 4.14Å; K54-E97 IonicContact NZ-OE1 3.67Å; K54-E97 PolarHBondContact NZ-OE1 2.68Å; K54-Y98 HydrophobicContact CB-CE2 3.97Å
55T98.1Very high96.2Very high35 Ų3575.6 Ų75.622%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-140.3145.8-173.642.20000111.3I44 L45 I46 I53 I93 C94 D95I44-T55 HydrophobicContact CG2-CG2 3.66Å; L45-T55 WeakPolarHBondContact O-CA 3.5Å; I46-T55 HydrophobicContact CG1-CG2 4.24Å; I53-T55 HydrophobicContact CG2-CG2 4.33Å; T55-I93 CarbonylContact C-O 3.46Å; T55-I93 VanDerWaalsContact CB-O 3.25Å; T55-I93 WeakPolarHBondContact CB-O 3.5Å; T55-I93 PolarHBondContact OG1-O 3.37Å; T55-C94 WeakPolarHBondContact O-CA 3.35Å; T55-D95 PolarHBondContact N-OD2 3.39Å; T55-D95 PolarHBondContact O-N 2.88Å; T55-D95 PolarHBondContact OG1-OD2 3.12Å
56T98.1Very high96.1Very high21 Ų2180.6 Ų80.613%0.12941%0.414CS..EExtended strand (participates in β ladder)trans-147.1165.2172-173.40000110.1I44 L45 I47 Y58 Y98I44-T56 WeakPolarHBondContact CA-O 3.3Å; L45-T56 HydrophobicContact CB-CG2 3.8Å; L45-T56 HydrophobicContact CD2-CG2 3.76Å; L45-T56 HydrophobicContact CG-CG2 4.09Å; L45-T56 PolarHBondContact N-O 2.9Å; L45-T56 PolarHBondContact O-N 3.35Å; I47-T56 HydrophobicContact CD1-CG2 4.22Å; T56-Y58 PolarHBondContact O-N 3.43Å; T56-Y98 HydrophobicContact CG2-CG 4.47Å
57V97.9Very high96Very high12 Ų1281.3 Ų81.37%0.07342%0.415CS..EExtended strand (participates in β ladder)trans-70.3119.4-179174.90000110.1R59 I93 E102V57-R59 HydrophobicContact CG1-CG 4.38Å; V57-I93 HydrophobicContact CG2-CB 4.1Å; V57-I93 HydrophobicContact CG2-CD1 4.33Å; V57-I93 HydrophobicContact CG2-CG2 3.9Å; V57-E102 WeakPolarHBondContact CB-OE1 3.35Å; V57-E102 HydrophobicContact CG2-CG 4.26Å; V57-E102 WeakPolarHBondContact CG2-OE1 3.04Å
58Y97.4Very high96Very high56 Ų5682.8 Ų82.822%0.2242%0.424CS..  trans-87.6134.5169.6180-116000110.9L40 D43 T56 K60L40-Y58 HydrophobicContact CD1-CD1 4.25Å; L40-Y58 HydrophobicContact CD1-CD2 4.39Å; L40-Y58 HydrophobicContact CD1-CE1 3.62Å; L40-Y58 HydrophobicContact CD1-CE2 3.79Å; L40-Y58 WeakPolarHBondContact CD1-OH 3.32Å; L40-Y58 HydrophobicContact CD2-CD1 3.88Å; L40-Y58 HydrophobicContact CD2-CD2 3.37Å; L40-Y58 HydrophobicContact CD2-CE1 4.06Å; L40-Y58 HydrophobicContact CD2-CE2 3.6Å; L40-Y58 HydrophobicContact CD2-CG 3.52Å; L40-Y58 HydrophobicContact CG-CD1 4.48Å; L40-Y58 HydrophobicContact CG-CD2 4.49Å; L40-Y58 HydrophobicContact CG-CE1 4.32Å; L40-Y58 HydrophobicContact CG-CE2 4.35Å; D43-Y58 PolarHBondContact O-N 3.14Å; T56-Y58 PolarHBondContact O-N 3.43Å; Y58-K60 HydrophobicContact CE1-CG 3.88Å
59R96.5Very high95.9Very high59 Ų5980 Ų8022%0.22342%0.417CS..  trans-119.8124.5170.9-65.8170.6-174.688.1-7.3107.9V57 H63 E102 H105V57-R59 HydrophobicContact CG1-CG 4.38Å; R59-H63 HydrophobicContact CB-CB 3.98Å; R59-E102 IonicContact CZ-OE1 2.85Å; R59-E102 IonicContact CZ-OE2 3.01Å; R59-E102 IonicContact NH1-OE1 3.9Å; R59-E102 IonicContact NH1-OE2 2.99Å; R59-E102 PolarHBondContact NH1-OE2 3.1Å; R59-E102 IonicContact NH2-OE1 3.2Å; R59-E102 PolarHBondContact NH2-OE1 2.7Å; R59-E102 IonicContact NH2-OE2 2.96Å; R59-E102 PolarHBondContact NH2-OE2 3.48Å; R59-H105 PolarHBondContact NE-NE2 3.28Å; R59-H105 PolarHBondContact NH2-CD2 3.34Å
60K94.5Very high96.1Very high134 Ų13479.8 Ų79.858%0.58341%0.41SS*.  trans-57.4151.9174.8-70.2-175177.6-175.90110.3Y58 T62 H63Y58-K60 HydrophobicContact CE1-CG 3.88Å; K60-T62 PolarHBondContact O-N 3.34Å; K60-H63 WeakPolarHBondContact O-CB 3.44Å; K60-H63 PolarHBondContact O-N 2.98Å
61P94.9Very high96.1Very high127 Ų12775.4 Ų75.483%0.82540%0.398SS*.THydrogen-bonded Turntrans-56.2-22176.4-28.135.6000114.8
62T95.3Very high96.2Very high127 Ų12769.5 Ų69.578%0.77938%0.375SS*.THydrogen-bonded Turntrans-86.6-2176.353.80000114.1K60 S64K60-T62 PolarHBondContact O-N 3.34Å; T62-S64 PolarHBondContact O-N 3.18Å
63H95.6Very high96Very high81 Ų8173.5 Ų73.538%0.37538%0.384SS..  trans-66.3124178.4-169.5-89.5000110.1R59 K60 D65R59-H63 HydrophobicContact CB-CB 3.98Å; K60-H63 WeakPolarHBondContact O-CB 3.44Å; K60-H63 PolarHBondContact O-N 2.98Å; H63-D65 IonicContact CE1-OD1 3.18Å; H63-D65 PolarHBondContact CE1-OD1 3.07Å; H63-D65 PolarHBondContact ND1-N 3.19Å; H63-D65 IonicContact ND1-OD1 3.92Å; H63-D65 PolarHBondContact ND1-OD1 2.97Å
64S96.4Very high95.6Very high84 Ų8471.7 Ų71.759%0.58737%0.373SS*.  trans-97.3-3.1-172.460.60000114.5T62 K66T62-S64 PolarHBondContact O-N 3.18Å; S64-K66 PolarHBondContact O-N 2.95Å; S64-K66 VanDerWaalsContact O-N 3.1Å; S64-K66 WeakPolarHBondContact OG-CB 3.25Å; S64-K66 PolarHBondContact OG-N 3.49Å
65D96.7Very high95.3Very high38 Ų3871.7 Ų71.720%0.20338%0.375CS..  trans54.125.1-171.1-69.6-38.4000113.1H63 H105 T109 N113H63-D65 IonicContact CE1-OD1 3.18Å; H63-D65 PolarHBondContact CE1-OD1 3.07Å; H63-D65 PolarHBondContact ND1-N 3.19Å; H63-D65 IonicContact ND1-OD1 3.92Å; H63-D65 PolarHBondContact ND1-OD1 2.97Å; D65-H105 VanDerWaalsContact CG-NE2 3.35Å; D65-H105 IonicContact OD1-CE1 2.69Å; D65-H105 IonicContact OD1-NE2 3.13Å; D65-H105 PolarHBondContact OD1-NE2 3.38Å; D65-H105 IonicContact OD2-CE1 3.45Å; D65-H105 PolarHBondContact OD2-CE1 2.89Å; D65-H105 IonicContact OD2-NE2 2.7Å; D65-H105 PolarHBondContact OD2-NE2 3.44Å; D65-T109 HydrophobicContact CB-CG2 3.69Å; D65-T109 WeakPolarHBondContact O-CG2 3.23Å; D65-N113 PolarHBondContact O-ND2 3.01Å
66K97.2Very high94.9Very high141 Ų14175.9 Ų75.961%0.61339%0.387SS*.  trans-90.7122.9176.7-69.6-60.7-172.51790111.3S64S64-K66 PolarHBondContact O-N 2.95Å; S64-K66 VanDerWaalsContact O-N 3.1Å; S64-K66 WeakPolarHBondContact OG-CB 3.25Å; S64-K66 PolarHBondContact OG-N 3.49Å
67Y96.6Very high94.6Very high61 Ų6180.5 Ų80.524%0.23941%0.407CS..  trans-119.4177.1172.5-66.8-86.3000109.3E69 I82 V86 T109 F110 N113Y67-E69 PolarHBondContact O-N 2.82Å; Y67-I82 HydrophobicContact CD1-CG2 3.79Å; Y67-I82 HydrophobicContact CE1-CG2 4.47Å; Y67-V86 HydrophobicContact CE1-CG2 3.75Å; Y67-T109 HydrophobicContact CD2-CG2 3.74Å; Y67-T109 HydrophobicContact CE2-CG2 3.49Å; Y67-T109 VanDerWaalsContact CE2-CG2 3.49Å; Y67-F110 HydrophobicContact CD1-CZ 4.23Å; Y67-F110 HydrophobicContact CD2-CE1 4.5Å; Y67-F110 HydrophobicContact CD2-CZ 4.28Å; Y67-F110 HydrophobicContact CE1-CZ 4.4Å; Y67-F110 HydrophobicContact CE2-CE2 4.5Å; Y67-F110 HydrophobicContact CE2-CZ 4.45Å; Y67-F110 HydrophobicContact CG-CE1 4.21Å; Y67-F110 HydrophobicContact CG-CZ 4.16Å; Y67-N113 PolarHBondContact N-OD1 3.28Å; Y67-N113 PolarHBondContact O-OD1 2.86Å
68V96Very high94.4Very high49 Ų4983.4 Ų83.430%0.29742%0.421SS..  trans-60.2116173.2176.60000108.8Y70 H74 I82 Y115V68-Y70 PolarHBondContact O-N 2.93Å; V68-H74 VanDerWaalsContact CG1-CD2 3.49Å; V68-H74 WeakPolarHBondContact CG1-CD2 3.44Å; V68-I82 HydrophobicContact CB-CD1 3.89Å; V68-I82 HydrophobicContact CG2-CD1 3.73Å; V68-Y115 VanDerWaalsContact O-CE2 3.22Å; V68-Y115 WeakPolarHBondContact O-CE2 3.13Å; V68-Y115 PolarHBondContact O-OH 3.1Å
69E96.8Very high94.2Very high66 Ų6680.8 Ų80.831%0.30841%0.411SS..  trans-55136.8178.2-168.267.8-147.300110Y67 T71 S72 N113 G114Y67-E69 PolarHBondContact O-N 2.82Å; E69-T71 WeakPolarHBondContact CG-OG1 3.44Å; E69-T71 PolarHBondContact O-N 3.24Å; E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 3.23Å; E69-S72 PolarHBondContact O-OG 2.96Å; E69-N113 WeakPolarHBondContact CA-O 3.25Å; E69-N113 VanDerWaalsContact CD-C 3.47Å; E69-N113 VanDerWaalsContact CD-O 3.28Å; E69-N113 VanDerWaalsContact OE1-O 3.05Å; E69-G114 WeakPolarHBondContact OE1-CA 3.44Å; E69-G114 PolarHBondContact OE1-N 2.84Å
70Y96.1Very high94.2Very high35 Ų3578.9 Ų78.914%0.13741%0.406CS..THydrogen-bonded Turntrans-62.9-19.9-175.4-167.7-107.7000113.5V68 S72 R76 M79 N113 G114 Y115 P116 I119V68-Y70 PolarHBondContact O-N 2.93Å; Y70-S72 VanDerWaalsContact C-N 3.34Å; Y70-R76 VanDerWaalsContact CZ-NH1 3.33Å; Y70-R76 PolarHBondContact O-NH1 3.43Å; Y70-M79 HydrophobicContact CD2-CB 4.19Å; Y70-M79 HydrophobicContact CD2-SD 3.73Å; Y70-M79 HydrophobicContact CE2-CB 4.35Å; Y70-M79 HydrophobicContact CE2-SD 4.01Å; Y70-M79 HydrophobicContact CG-SD 4.29Å; Y70-M79 WeakPolarHBondContact O-CE 3.48Å; Y70-N113 PolarHBondContact N-O 2.93Å; Y70-G114 VanDerWaalsContact CB-C 3.44Å; Y70-G114 WeakPolarHBondContact CB-O 3.44Å; Y70-Y115 AromaticContact CD2-CD1 3.7Å; Y70-Y115 HydrophobicContact CD2-CD1 3.7Å; Y70-Y115 HydrophobicContact CD2-CD2 4.28Å; Y70-Y115 AromaticContact CD2-CE1 3.87Å; Y70-Y115 HydrophobicContact CD2-CE1 3.87Å; Y70-Y115 HydrophobicContact CD2-CE2 4.4Å; Y70-Y115 AromaticContact CD2-CG 3.91Å; Y70-Y115 HydrophobicContact CD2-CG 3.91Å; Y70-Y115 HydrophobicContact CE2-CD1 4.25Å; Y70-Y115 HydrophobicContact CE2-CE1 4.48Å; Y70-Y115 HydrophobicContact CG-CD2 4.48Å; Y70-Y115 HydrophobicContact CG-CG 4.34Å; Y70-P116 VanDerWaalsContact CD1-CD 3.45Å; Y70-P116 HydrophobicContact CD1-CG 3.99Å; Y70-P116 HydrophobicContact CE1-CG 3.53Å; Y70-I119 HydrophobicContact CE2-CD1 4.19Å; Y70-I119 WeakPolarHBondContact OH-CD1 3.24Å
71T93.6Very high94.3Very high115 Ų11574 Ų7471%0.70639%0.394SS*.THydrogen-bonded Turntrans-86.9-3.6176.155.50000113.6E69E69-T71 WeakPolarHBondContact CG-OG1 3.44Å; E69-T71 PolarHBondContact O-N 3.24Å
72S93.4Very high94.4Very high40 Ų4070.3 Ų70.328%0.2837%0.367SS..SBendtrans-61157.2-179.3-610000112.7E69 Y70 H74 M79E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 3.23Å; E69-S72 PolarHBondContact O-OG 2.96Å; Y70-S72 VanDerWaalsContact C-N 3.34Å; S72-H74 PolarHBondContact O-N 2.89Å; S72-M79 WeakPolarHBondContact O-CE 3.36Å
73H90.6Very high94.5Very high118 Ų11864.2 Ų64.255%0.54633%0.329SS..SBendtrans-77.658-179.6-160.995.7000112.5Y147 A149H73-Y147 AromaticContact CD2-CD1 3.93Å; H73-Y147 AromaticContact CD2-CE1 3.62Å; H73-Y147 AromaticContact NE2-CE1 3.94Å; H73-Y147 WeakPolarHBondContact O-CE1 3.36Å; H73-A149 WeakPolarHBondContact CE1-CB 3.35Å; H73-A149 WeakPolarHBondContact NE2-CB 3.43Å; H73-A149 PolarHBondContact NE2-N 2.83Å; H73-A149 VanDerWaalsContact NE2-N 3.2Å
74H89.5Confident94.6Very high83 Ų8365 Ų6538%0.38433%0.329SS..SBendtrans-123.8152.9175.2-63.9-70.5000111V68 S72 R76 M79V68-H74 VanDerWaalsContact CG1-CD2 3.49Å; V68-H74 WeakPolarHBondContact CG1-CD2 3.44Å; S72-H74 PolarHBondContact O-N 2.89Å; H74-R76 PolarHBondContact O-N 3.35Å; H74-M79 HydrophobicContact CB-CE 4.05Å
75P89.6Confident94.6Very high23 Ų2362.8 Ų62.815%0.14932%0.32CS..  trans-56139.4171.4-14.220.9000111.1H77 I78 Y147P75-H77 WeakPolarHBondContact CB-CE1 3.13Å; P75-H77 WeakPolarHBondContact CB-ND1 3.44Å; P75-H77 PolarHBondContact O-N 2.91Å; P75-H77 VanDerWaalsContact O-N 3.08Å; P75-I78 HydrophobicContact CB-CG1 4.14Å; P75-I78 HydrophobicContact CG-CG1 3.95Å; P75-I78 WeakPolarHBondContact O-CB 3.48Å; P75-I78 PolarHBondContact O-N 3.25Å; P75-Y147 HydrophobicContact CB-CD2 4.09Å; P75-Y147 HydrophobicContact CB-CE2 4.05Å; P75-Y147 HydrophobicContact CG-CD1 4.23Å; P75-Y147 HydrophobicContact CG-CD2 3.44Å; P75-Y147 VanDerWaalsContact CG-CD2 3.44Å; P75-Y147 HydrophobicContact CG-CE2 3.85Å; P75-Y147 HydrophobicContact CG-CG 3.61Å
76R90.7Very high94.7Very high123 Ų12362 Ų6246%0.46432%0.316SS..Hα-helixtrans-53.6-35.8-179.9-64.1-66.2170.2-164.2-6113.9Y70 H74 I78 M79 T80Y70-R76 VanDerWaalsContact CZ-NH1 3.33Å; Y70-R76 PolarHBondContact O-NH1 3.43Å; H74-R76 PolarHBondContact O-N 3.35Å; R76-I78 VanDerWaalsContact C-N 3.26Å; R76-I78 PolarHBondContact O-N 3.2Å; R76-M79 PolarHBondContact O-N 3.48Å; R76-T80 PolarHBondContact O-N 3.01Å; R76-T80 PolarHBondContact O-OG1 2.82Å; R76-T80 VanDerWaalsContact O-OG1 3.08Å
77H91.1Very high94.7Very high119 Ų11955.2 Ų55.255%0.55129%0.287SS*.Hα-helixtrans-67.5-24.9-179.975.1-91.4000113.6P75 G81P75-H77 WeakPolarHBondContact CB-CE1 3.13Å; P75-H77 WeakPolarHBondContact CB-ND1 3.44Å; P75-H77 PolarHBondContact O-N 2.91Å; P75-H77 VanDerWaalsContact O-N 3.08Å; H77-G81 PolarHBondContact O-N 2.97Å
78I93.1Very high94.7Very high73 Ų7355.5 Ų55.537%0.37429%0.292SS..Hα-helixtrans-71-49.6175.1-61.9-63.2000109.3P75 R76 T80 G81 I82P75-I78 HydrophobicContact CB-CG1 4.14Å; P75-I78 HydrophobicContact CG-CG1 3.95Å; P75-I78 WeakPolarHBondContact O-CB 3.48Å; P75-I78 PolarHBondContact O-N 3.25Å; R76-I78 VanDerWaalsContact C-N 3.26Å; R76-I78 PolarHBondContact O-N 3.2Å; I78-T80 PolarHBondContact O-N 3.12Å; I78-G81 CarbonylContact O-C 3.55Å; I78-G81 WeakPolarHBondContact O-CA 3.28Å; I78-G81 PolarHBondContact O-N 3.2Å; I78-I82 HydrophobicContact CG2-CD1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 3.37Å
79M95.2Very high94.8Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-56.8-50.4176-62.7165.3179.200111.2Y70 S72 H74 R76 G81 I82 L83 Y115Y70-M79 HydrophobicContact CD2-CB 4.19Å; Y70-M79 HydrophobicContact CD2-SD 3.73Å; Y70-M79 HydrophobicContact CE2-CB 4.35Å; Y70-M79 HydrophobicContact CE2-SD 4.01Å; Y70-M79 HydrophobicContact CG-SD 4.29Å; Y70-M79 WeakPolarHBondContact O-CE 3.48Å; S72-M79 WeakPolarHBondContact O-CE 3.36Å; H74-M79 HydrophobicContact CB-CE 4.05Å; R76-M79 PolarHBondContact O-N 3.48Å; M79-G81 PolarHBondContact O-N 3.41Å; M79-I82 WeakPolarHBondContact O-CB 3.34Å; M79-I82 PolarHBondContact O-N 3.13Å; M79-L83 PolarHBondContact O-N 3.32Å; M79-Y115 HydrophobicContact CB-CE1 3.88Å; M79-Y115 WeakPolarHBondContact CB-OH 3.37Å; M79-Y115 WeakPolarHBondContact O-CE1 3.49Å
80T95Very high94.8Very high19 Ų1953.9 Ų53.912%0.11728%0.278CS..Hα-helixtrans-63.8-30175.6-46.90000112.1R76 I78 R84 I119R76-T80 PolarHBondContact O-N 3.01Å; R76-T80 PolarHBondContact O-OG1 2.82Å; R76-T80 VanDerWaalsContact O-OG1 3.08Å; I78-T80 PolarHBondContact O-N 3.12Å; T80-R84 WeakPolarHBondContact O-CB 3.34Å; T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.43Å; T80-R84 PolarHBondContact O-N 2.99Å; T80-I119 HydrophobicContact CG2-CG2 4.46Å
81G96.4Very high94.8Very high33 Ų3354.9 Ų54.934%0.3429%0.285SS..Hα-helixtrans-64.3-42.2173.800000112.7H77 I78 M79 R84 G85H77-G81 PolarHBondContact O-N 2.97Å; I78-G81 CarbonylContact O-C 3.55Å; I78-G81 WeakPolarHBondContact O-CA 3.28Å; I78-G81 PolarHBondContact O-N 3.2Å; M79-G81 PolarHBondContact O-N 3.41Å; G81-R84 PolarHBondContact O-N 3.41Å; G81-G85 PolarHBondContact O-N 2.95Å
82I97.6Very high95Very high48 Ų4853.6 Ų53.625%0.24629%0.286CS..Hα-helixtrans-59.6-53.2174.9-65.2166.1000109.8Y67 V68 I78 M79 R84 G85 V86 F110Y67-I82 HydrophobicContact CD1-CG2 3.79Å; Y67-I82 HydrophobicContact CE1-CG2 4.47Å; V68-I82 HydrophobicContact CB-CD1 3.89Å; V68-I82 HydrophobicContact CG2-CD1 3.73Å; I78-I82 HydrophobicContact CG2-CD1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 3.37Å; M79-I82 WeakPolarHBondContact O-CB 3.34Å; M79-I82 PolarHBondContact O-N 3.13Å; I82-R84 VanDerWaalsContact C-N 3.31Å; I82-R84 PolarHBondContact O-N 3.33Å; I82-G85 PolarHBondContact O-N 3.35Å; I82-G85 VanDerWaalsContact O-N 3.14Å; I82-V86 WeakPolarHBondContact O-CG2 3.18Å; I82-V86 PolarHBondContact O-N 2.99Å; I82-F110 HydrophobicContact CG2-CE1 4.16Å; I82-F110 HydrophobicContact CG2-CZ 4.2Å
83L98Very high95.1Very high0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-54.1-48176.6171.864.1000111.7M79 G85 V86 V87 F110 Y115 I119 T123M79-L83 PolarHBondContact O-N 3.32Å; L83-G85 VanDerWaalsContact C-N 3.35Å; L83-G85 PolarHBondContact O-N 2.99Å; L83-V86 PolarHBondContact O-N 3.47Å; L83-V87 HydrophobicContact CD1-CG2 4.08Å; L83-V87 WeakPolarHBondContact O-CG2 3.32Å; L83-V87 PolarHBondContact O-N 3.28Å; L83-F110 HydrophobicContact CB-CD1 4.25Å; L83-F110 HydrophobicContact CB-CE1 3.93Å; L83-F110 HydrophobicContact CB-CZ 4.18Å; L83-F110 HydrophobicContact CD1-CB 4.37Å; L83-F110 HydrophobicContact CD1-CD1 4.03Å; L83-F110 HydrophobicContact CD1-CD2 3.55Å; L83-F110 HydrophobicContact CD1-CE1 4.21Å; L83-F110 HydrophobicContact CD1-CE2 3.75Å; L83-F110 HydrophobicContact CD1-CG 3.71Å; L83-F110 HydrophobicContact CD1-CZ 4.08Å; L83-Y115 HydrophobicContact CB-CE1 4.41Å; L83-I119 HydrophobicContact CD2-CG2 4.16Å; L83-T123 HydrophobicContact CD2-CG2 3.95Å; L83-T123 HydrophobicContact CG-CG2 3.92Å
84R97.2Very high95.5Very high96 Ų9647.8 Ų47.836%0.36226%0.257SS..Hα-helixtrans-59.2-44.9177.9-76.5171.7-174150.55.5112.2T80 G81 I82 V86 V87 D88 T123T80-R84 WeakPolarHBondContact O-CB 3.34Å; T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.43Å; T80-R84 PolarHBondContact O-N 2.99Å; G81-R84 PolarHBondContact O-N 3.41Å; I82-R84 VanDerWaalsContact C-N 3.31Å; I82-R84 PolarHBondContact O-N 3.33Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 PolarHBondContact O-N 3.32Å; R84-V87 PolarHBondContact O-N 3.22Å; R84-D88 WeakPolarHBondContact O-CB 3.45Å; R84-D88 PolarHBondContact O-N 3.25Å; R84-T123 HydrophobicContact CB-CG2 4.5Å; R84-T123 HydrophobicContact CG-CG2 3.55Å
85G96.9Very high95.8Very high38 Ų3845.7 Ų45.739%0.39225%0.249SC..Hα-helixtrans-63.2-38.9-179.800000112.6G81 I82 L83 D88 R89G81-G85 PolarHBondContact O-N 2.95Å; I82-G85 PolarHBondContact O-N 3.35Å; I82-G85 VanDerWaalsContact O-N 3.14Å; L83-G85 VanDerWaalsContact C-N 3.35Å; L83-G85 PolarHBondContact O-N 2.99Å; G85-D88 PolarHBondContact O-N 2.98Å; G85-R89 WeakPolarHBondContact O-CB 3.41Å; G85-R89 PolarHBondContact O-N 3.47Å
86V97.4Very high96.1Very high21 Ų2149.9 Ų49.913%0.12728%0.276CS..Hα-helixtrans-70.6-39.8177.2-177.80000111.4Y67 I82 L83 R84 R89 A90 L106 F110Y67-V86 HydrophobicContact CE1-CG2 3.75Å; I82-V86 WeakPolarHBondContact O-CG2 3.18Å; I82-V86 PolarHBondContact O-N 2.99Å; L83-V86 PolarHBondContact O-N 3.47Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 PolarHBondContact O-N 3.32Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.42Å; V86-A90 PolarHBondContact O-N 3.02Å; V86-L106 HydrophobicContact CG1-CD1 3.84Å; V86-L106 HydrophobicContact CG1-CD2 3.34Å; V86-L106 HydrophobicContact CG1-CG 4.22Å; V86-F110 HydrophobicContact CB-CE2 4.06Å; V86-F110 HydrophobicContact CB-CZ 4.16Å; V86-F110 HydrophobicContact CG1-CE2 4.14Å; V86-F110 HydrophobicContact CG2-CE2 4.31Å; V86-F110 HydrophobicContact CG2-CZ 3.99Å
87V97.7Very high96.4Very high0 Ų049.7 Ų49.70%028%0.28CS..Hα-helixtrans-65-42.6173.4173.80000111.3L83 R84 R89 A90 L91 L106 I124 K127L83-V87 HydrophobicContact CD1-CG2 4.08Å; L83-V87 WeakPolarHBondContact O-CG2 3.32Å; L83-V87 PolarHBondContact O-N 3.28Å; R84-V87 PolarHBondContact O-N 3.22Å; V87-R89 VanDerWaalsContact C-N 3.28Å; V87-R89 PolarHBondContact O-N 2.89Å; V87-A90 PolarHBondContact O-N 3.07Å; V87-L91 HydrophobicContact CG1-CD1 4.04Å; V87-L91 HydrophobicContact CG1-CG 4.45Å; V87-L91 WeakPolarHBondContact O-CG 3.22Å; V87-L91 PolarHBondContact O-N 3.38Å; V87-L106 HydrophobicContact CG2-CD1 4.19Å; V87-I124 HydrophobicContact CG1-CG1 4.46Å; V87-I124 HydrophobicContact CG2-CG1 3.84Å; V87-K127 HydrophobicContact CG1-CB 3.81Å; V87-K127 HydrophobicContact CG1-CG 3.93Å
88D97Very high96.7Very high66 Ų6646.9 Ų46.935%0.35327%0.265SS..Hα-helixtrans-60.1-40.6175.4-75.6-30.8000111.4R84 G85 L91 A92 K127R84-D88 WeakPolarHBondContact O-CB 3.45Å; R84-D88 PolarHBondContact O-N 3.25Å; G85-D88 PolarHBondContact O-N 2.98Å; D88-L91 PolarHBondContact O-N 3.29Å; D88-A92 VanDerWaalsContact O-CB 3.32Å; D88-A92 WeakPolarHBondContact O-CB 3.36Å; D88-A92 PolarHBondContact O-N 3.27Å; D88-K127 VanDerWaalsContact OD1-CD 3.25Å; D88-K127 WeakPolarHBondContact OD1-CD 3.26Å; D88-K127 WeakPolarHBondContact OD1-CE 3.47Å; D88-K127 IonicContact OD1-NZ 2.62Å; D88-K127 PolarHBondContact OD1-NZ 3.19Å; D88-K127 WeakPolarHBondContact OD2-CE 3.13Å; D88-K127 IonicContact OD2-NZ 2.68Å; D88-K127 PolarHBondContact OD2-NZ 2.98Å
89R97.2Very high96.9Very high81 Ų8145 Ų4531%0.30626%0.255SS..Hα-helixtrans-60.9-47.4173.9172.5-178.6163.3168.1-6.1111.5D43 G85 V86 V87 L91 A92 I93D43-R89 VanDerWaalsContact CG-CZ 3.44Å; D43-R89 VanDerWaalsContact CG-NH1 3.34Å; D43-R89 PolarHBondContact O-NH2 3.35Å; D43-R89 IonicContact OD1-NH1 3.92Å; D43-R89 IonicContact OD1-NH2 3.41Å; D43-R89 PolarHBondContact OD1-NH2 2.91Å; D43-R89 IonicContact OD2-CZ 3.17Å; D43-R89 IonicContact OD2-NH1 2.7Å; D43-R89 PolarHBondContact OD2-NH1 2.86Å; D43-R89 IonicContact OD2-NH2 3.25Å; D43-R89 PolarHBondContact OD2-NH2 3.47Å; G85-R89 WeakPolarHBondContact O-CB 3.41Å; G85-R89 PolarHBondContact O-N 3.47Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.42Å; V87-R89 VanDerWaalsContact C-N 3.28Å; V87-R89 PolarHBondContact O-N 2.89Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3.5Å; R89-A92 PolarHBondContact O-N 2.93Å; R89-I93 HydrophobicContact CG-CD1 3.47Å; R89-I93 VanDerWaalsContact CG-CD1 3.47Å; R89-I93 HydrophobicContact CG-CG1 4.35Å; R89-I93 WeakPolarHBondContact O-CB 3.43Å; R89-I93 WeakPolarHBondContact O-CG1 3.29Å; R89-I93 PolarHBondContact O-N 3.49Å
90A97.6Very high97Very high0 Ų050.8 Ų50.80%028%0.283CS..Hα-helixtrans-59.5-44.9177.900000111.7V86 V87 A92 I93 C94 L99 E102 L106V86-A90 PolarHBondContact O-N 3.02Å; V87-A90 PolarHBondContact O-N 3.07Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 2.96Å; A90-I93 PolarHBondContact O-N 3.35Å; A90-C94 VanDerWaalsContact O-CB 3.31Å; A90-C94 WeakPolarHBondContact O-CB 3.42Å; A90-C94 PolarHBondContact O-N 2.89Å; A90-L99 HydrophobicContact CB-CD1 4.48Å; A90-E102 HydrophobicContact CB-CG 3.55Å; A90-L106 HydrophobicContact CB-CD1 3.94Å
91L96.6Very high97.2Very high56 Ų5657 Ų5729%0.29331%0.31SS..Hα-helixtrans-66.8-28.9178.3-67.1171.7000113.6V87 D88 R89 L99 K127 L128V87-L91 HydrophobicContact CG1-CD1 4.04Å; V87-L91 HydrophobicContact CG1-CG 4.45Å; V87-L91 WeakPolarHBondContact O-CG 3.22Å; V87-L91 PolarHBondContact O-N 3.38Å; D88-L91 PolarHBondContact O-N 3.29Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3.5Å; L91-L99 HydrophobicContact CD2-CD1 3.86Å; L91-L99 HydrophobicContact CD2-CD2 3.81Å; L91-L99 HydrophobicContact CD2-CG 4.43Å; L91-K127 HydrophobicContact CD1-CB 3.65Å; L91-L128 HydrophobicContact CD2-CD2 3.61Å
92A96.2Very high97.3Very high88 Ų8855.9 Ų55.973%0.72730%0.296SS*.Hα-helixtrans-83.1-26178.300000113.3D88 R89 A90D88-A92 VanDerWaalsContact O-CB 3.32Å; D88-A92 WeakPolarHBondContact O-CB 3.36Å; D88-A92 PolarHBondContact O-N 3.27Å; R89-A92 PolarHBondContact O-N 2.93Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 2.96Å
93I97.1Very high97.3Very high24 Ų2453.7 Ų53.712%0.12329%0.285CS..Hα-helixtrans-102.7-38.6-173.5-68175.2000112.4I44 T55 V57 R89 A90I44-I93 HydrophobicContact CB-CG2 4.41Å; I44-I93 HydrophobicContact CD1-CD1 4.45Å; I44-I93 HydrophobicContact CD1-CG1 4.34Å; I44-I93 HydrophobicContact CG1-CD1 3.95Å; I44-I93 HydrophobicContact CG1-CG1 4.2Å; I44-I93 HydrophobicContact CG1-CG2 3.91Å; I44-I93 HydrophobicContact CG2-CG2 4.09Å; T55-I93 CarbonylContact C-O 3.46Å; T55-I93 VanDerWaalsContact CB-O 3.25Å; T55-I93 WeakPolarHBondContact CB-O 3.5Å; T55-I93 PolarHBondContact OG1-O 3.37Å; V57-I93 HydrophobicContact CG2-CB 4.1Å; V57-I93 HydrophobicContact CG2-CD1 4.33Å; V57-I93 HydrophobicContact CG2-CG2 3.9Å; R89-I93 HydrophobicContact CG-CD1 3.47Å; R89-I93 VanDerWaalsContact CG-CD1 3.47Å; R89-I93 HydrophobicContact CG-CG1 4.35Å; R89-I93 WeakPolarHBondContact O-CB 3.43Å; R89-I93 WeakPolarHBondContact O-CG1 3.29Å; R89-I93 PolarHBondContact O-N 3.49Å; A90-I93 PolarHBondContact O-N 3.35Å
94C97.9Very high97.3Very high13 Ų1355.5 Ų55.59%0.08830%0.296CS..  trans-84.1129.1-171.6-680000111.9T55 A90 L99T55-C94 WeakPolarHBondContact O-CA 3.35Å; A90-C94 VanDerWaalsContact O-CB 3.31Å; A90-C94 WeakPolarHBondContact O-CB 3.42Å; A90-C94 PolarHBondContact O-N 2.89Å; C94-L99 HydrophobicContact CB-CB 4.01Å; C94-L99 HydrophobicContact CB-CD1 4.03Å
95D97.2Very high97.3Very high39 Ų3953.6 Ų53.621%0.20929%0.291CS..  trans-64.4154.8160.8-80.4-88.6000111.1K54 T55 E97 Y98 L99K54-D95 VanDerWaalsContact CA-OD2 3.26Å; K54-D95 WeakPolarHBondContact CA-OD2 3.31Å; K54-D95 HydrophobicContact CB-CB 4.39Å; K54-D95 HydrophobicContact CD-CB 4.14Å; T55-D95 PolarHBondContact N-OD2 3.39Å; T55-D95 PolarHBondContact O-N 2.88Å; T55-D95 PolarHBondContact OG1-OD2 3.12Å; D95-E97 PolarHBondContact O-N 3.27Å; D95-Y98 HydrophobicContact CB-CD2 4.31Å; D95-Y98 PolarHBondContact O-N 3.03Å; D95-L99 PolarHBondContact O-N 3.25Å; D95-L99 VanDerWaalsContact O-N 3.11Å
96P95.9Very high97.4Very high110 Ų11051.8 Ų51.871%0.71427%0.272SS*.Hα-helixtrans-52.4-31.8-173.8-29.736000115.1Y98P96-Y98 VanDerWaalsContact C-N 3.32Å; P96-Y98 PolarHBondContact O-N 3.43Å
97E95.6Very high97.4Very high120 Ų12053.4 Ų53.456%0.56128%0.278SS*.Hα-helixtrans-67.4-28.9-179.9-65.8166.9-14100113.3K54 D95K54-E97 IonicContact NZ-OE1 3.67Å; K54-E97 PolarHBondContact NZ-OE1 2.68Å; D95-E97 PolarHBondContact O-N 3.27Å
98Y97.2Very high97.5Very high60 Ų6060.7 Ų60.724%0.23531%0.306CS..Hα-helixtrans-107.4-11.5-176.9-54.5-65.5000113.2I47 K54 T56 D95 P96 E100 E102I47-Y98 HydrophobicContact CD1-CE1 4.21Å; I47-Y98 HydrophobicContact CD1-CE2 3.75Å; I47-Y98 WeakPolarHBondContact CD1-OH 3.35Å; K54-Y98 HydrophobicContact CB-CE2 3.97Å; T56-Y98 HydrophobicContact CG2-CG 4.47Å; D95-Y98 HydrophobicContact CB-CD2 4.31Å; D95-Y98 PolarHBondContact O-N 3.03Å; P96-Y98 VanDerWaalsContact C-N 3.32Å; P96-Y98 PolarHBondContact O-N 3.43Å; Y98-E100 PolarHBondContact O-N 2.75Å; Y98-E102 WeakPolarHBondContact O-CB 3.43Å; Y98-E102 PolarHBondContact O-N 3.29Å; Y98-E102 VanDerWaalsContact O-N 3.14Å
99L98Very high97.5Very high32 Ų3257.7 Ų57.717%0.16829%0.29CS..Hα-helixtrans-63.8-42.8-174.1178.660.8000112.4A90 L91 C94 D95 E102 L103 L128A90-L99 HydrophobicContact CB-CD1 4.48Å; L91-L99 HydrophobicContact CD2-CD1 3.86Å; L91-L99 HydrophobicContact CD2-CD2 3.81Å; L91-L99 HydrophobicContact CD2-CG 4.43Å; C94-L99 HydrophobicContact CB-CB 4.01Å; C94-L99 HydrophobicContact CB-CD1 4.03Å; D95-L99 PolarHBondContact O-N 3.25Å; D95-L99 VanDerWaalsContact O-N 3.11Å; L99-E102 WeakPolarHBondContact O-CB 3.34Å; L99-E102 PolarHBondContact O-N 2.96Å; L99-L103 HydrophobicContact CD1-CD1 4.18Å; L99-L103 HydrophobicContact CD1-CD2 4.38Å; L99-L103 HydrophobicContact CD1-CG 4.01Å; L99-L103 HydrophobicContact CG-CD1 4.04Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 2.99Å; L99-L128 HydrophobicContact CD2-CD2 4.38Å
100E97.9Very high97.6Very high123 Ų12353.9 Ų53.958%0.57528%0.276SS*.Hα-helixtrans-64.7-44.3-177.7-176.158.3-155.200111.9Y98 E102 L103 V104Y98-E100 PolarHBondContact O-N 2.75Å; E100-E102 VanDerWaalsContact C-N 3.29Å; E100-E102 PolarHBondContact O-N 2.83Å; E100-L103 PolarHBondContact O-N 3.17Å; E100-V104 WeakPolarHBondContact O-CG2 3.23Å; E100-V104 PolarHBondContact O-N 3.41Å
101E98.1Very high97.6Very high149 Ų14959.3 Ų59.370%0.69630%0.301SS*.Hα-helixtrans-59.3-43.2175.6-177.3178.6-174.300111.1V104 H105E101-V104 PolarHBondContact O-N 3.45Å; E101-H105 PolarHBondContact O-N 3.39Å
102E98.1Very high97.7Very high9 Ų964.2 Ų64.24%0.04232%0.32CS..Hα-helixtrans-62.2-45.7176.8176.563.5-175.200111.7V57 R59 A90 Y98 L99 E100 V104 H105 L106V57-E102 WeakPolarHBondContact CB-OE1 3.35Å; V57-E102 HydrophobicContact CG2-CG 4.26Å; V57-E102 WeakPolarHBondContact CG2-OE1 3.04Å; R59-E102 IonicContact CZ-OE1 2.85Å; R59-E102 IonicContact CZ-OE2 3.01Å; R59-E102 IonicContact NH1-OE1 3.9Å; R59-E102 IonicContact NH1-OE2 2.99Å; R59-E102 PolarHBondContact NH1-OE2 3.1Å; R59-E102 IonicContact NH2-OE1 3.2Å; R59-E102 PolarHBondContact NH2-OE1 2.7Å; R59-E102 IonicContact NH2-OE2 2.96Å; R59-E102 PolarHBondContact NH2-OE2 3.48Å; A90-E102 HydrophobicContact CB-CG 3.55Å; Y98-E102 WeakPolarHBondContact O-CB 3.43Å; Y98-E102 PolarHBondContact O-N 3.29Å; Y98-E102 VanDerWaalsContact O-N 3.14Å; L99-E102 WeakPolarHBondContact O-CB 3.34Å; L99-E102 PolarHBondContact O-N 2.96Å; E100-E102 VanDerWaalsContact C-N 3.29Å; E100-E102 PolarHBondContact O-N 2.83Å; E102-V104 VanDerWaalsContact C-N 3.34Å; E102-V104 PolarHBondContact O-N 3.24Å; E102-H105 WeakPolarHBondContact O-CB 3.3Å; E102-H105 PolarHBondContact O-N 3.25Å; E102-L106 WeakPolarHBondContact O-CG 3.36Å; E102-L106 PolarHBondContact O-N 2.95Å
103L98.2Very high97.8Very high3 Ų360 Ų602%0.01629%0.286CS..Hα-helixtrans-63.6-39.4178.6-69177.6000112L99 E100 H105 L106 Q107 I124 L128L99-L103 HydrophobicContact CD1-CD1 4.18Å; L99-L103 HydrophobicContact CD1-CD2 4.38Å; L99-L103 HydrophobicContact CD1-CG 4.01Å; L99-L103 HydrophobicContact CG-CD1 4.04Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 2.99Å; E100-L103 PolarHBondContact O-N 3.17Å; L103-H105 VanDerWaalsContact C-N 3.35Å; L103-L106 PolarHBondContact O-N 2.95Å; L103-Q107 WeakPolarHBondContact O-CG 3.26Å; L103-Q107 PolarHBondContact O-N 3.14Å; L103-I124 HydrophobicContact CD1-CG2 4.06Å; L103-I124 HydrophobicContact CD2-CG2 4.07Å; L103-L128 HydrophobicContact CD1-CD1 4.15Å; L103-L128 HydrophobicContact CD1-CD2 4.25Å
104V98.2Very high97.8Very high38 Ų3860.5 Ų60.523%0.2330%0.296CS..Hα-helixtrans-63.6-40.8174171.40000111.1E100 E101 E102 L106 Q107 R108E100-V104 WeakPolarHBondContact O-CG2 3.23Å; E100-V104 PolarHBondContact O-N 3.41Å; E101-V104 PolarHBondContact O-N 3.45Å; E102-V104 VanDerWaalsContact C-N 3.34Å; E102-V104 PolarHBondContact O-N 3.24Å; V104-L106 VanDerWaalsContact C-N 3.35Å; V104-Q107 PolarHBondContact O-N 2.85Å; V104-R108 WeakPolarHBondContact O-CG 3.47Å; V104-R108 PolarHBondContact O-N 2.81Å; V104-R108 VanDerWaalsContact O-N 3.12Å
105H98.3Very high97.8Very high55 Ų5560 Ų6026%0.25529%0.292SS..Hα-helixtrans-60.1-45.5173.4-178.883.4000111.5R59 D65 E101 E102 L103 Q107 R108 T109R59-H105 PolarHBondContact NE-NE2 3.28Å; R59-H105 PolarHBondContact NH2-CD2 3.34Å; D65-H105 VanDerWaalsContact CG-NE2 3.35Å; D65-H105 IonicContact OD1-CE1 2.69Å; D65-H105 IonicContact OD1-NE2 3.13Å; D65-H105 PolarHBondContact OD1-NE2 3.38Å; D65-H105 IonicContact OD2-CE1 3.45Å; D65-H105 PolarHBondContact OD2-CE1 2.89Å; D65-H105 IonicContact OD2-NE2 2.7Å; D65-H105 PolarHBondContact OD2-NE2 3.44Å; E101-H105 PolarHBondContact O-N 3.39Å; E102-H105 WeakPolarHBondContact O-CB 3.3Å; E102-H105 PolarHBondContact O-N 3.25Å; L103-H105 VanDerWaalsContact C-N 3.35Å; H105-Q107 PolarHBondContact O-N 2.96Å; H105-R108 PolarHBondContact O-N 3.28Å; H105-T109 PolarHBondContact CD2-OG1 3.47Å; H105-T109 PolarHBondContact NE2-OG1 2.68Å; H105-T109 VanDerWaalsContact O-CB 3.23Å; H105-T109 WeakPolarHBondContact O-CB 3.49Å; H105-T109 PolarHBondContact O-N 2.69Å; H105-T109 PolarHBondContact O-OG1 2.97Å
106L98.1Very high97.8Very high0 Ų059.9 Ų59.90%029%0.294CS..Hα-helixtrans-62.2-41.8177.3-65.9-173.3000111.9V86 V87 A90 E102 L103 V104 R108 T109 F110V86-L106 HydrophobicContact CG1-CD1 3.84Å; V86-L106 HydrophobicContact CG1-CD2 3.34Å; V86-L106 HydrophobicContact CG1-CG 4.22Å; V87-L106 HydrophobicContact CG2-CD1 4.19Å; A90-L106 HydrophobicContact CB-CD1 3.94Å; E102-L106 WeakPolarHBondContact O-CG 3.36Å; E102-L106 PolarHBondContact O-N 2.95Å; L103-L106 PolarHBondContact O-N 2.95Å; V104-L106 VanDerWaalsContact C-N 3.35Å; L106-R108 PolarHBondContact O-N 3.11Å; L106-T109 PolarHBondContact O-N 2.95Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.19Å
107Q98.3Very high97.9Very high55 Ų5558.5 Ų58.526%0.25728%0.279SS..Hα-helixtrans-56.7-53.4176-73.2172.86.600111.5L103 V104 H105 T109 F110 E111 I120 I124L103-Q107 WeakPolarHBondContact O-CG 3.26Å; L103-Q107 PolarHBondContact O-N 3.14Å; V104-Q107 PolarHBondContact O-N 2.85Å; H105-Q107 PolarHBondContact O-N 2.96Å; Q107-T109 VanDerWaalsContact C-N 3.29Å; Q107-T109 PolarHBondContact O-N 2.59Å; Q107-F110 PolarHBondContact O-N 2.84Å; Q107-E111 VanDerWaalsContact O-CB 3.3Å; Q107-E111 WeakPolarHBondContact O-CB 3.48Å; Q107-E111 PolarHBondContact O-N 3.25Å; Q107-I120 HydrophobicContact CB-CG2 4.2Å; Q107-I120 HydrophobicContact CG-CG2 3.8Å; Q107-I124 HydrophobicContact CG-CD1 3.51Å
108R98.3Very high98Very high154 Ų15458.8 Ų58.858%0.58128%0.281SS*.Hα-helixtrans-60.8-40.3178.6-68173.7-178.4168.72.6111.8V104 H105 L106 K112V104-R108 WeakPolarHBondContact O-CG 3.47Å; V104-R108 PolarHBondContact O-N 2.81Å; V104-R108 VanDerWaalsContact O-N 3.12Å; H105-R108 PolarHBondContact O-N 3.28Å; L106-R108 PolarHBondContact O-N 3.11Å; R108-K112 WeakPolarHBondContact O-CB 3.42Å; R108-K112 VanDerWaalsContact O-CG 3.23Å; R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 2.7Å
109T98.2Very high98Very high3 Ų357.1 Ų57.12%0.01828%0.275CS..Hα-helixtrans-64.7-51.1-179.4-68.40000111.3D65 Y67 H105 L106 Q107 E111 K112 N113D65-T109 HydrophobicContact CB-CG2 3.69Å; D65-T109 WeakPolarHBondContact O-CG2 3.23Å; Y67-T109 HydrophobicContact CD2-CG2 3.74Å; Y67-T109 HydrophobicContact CE2-CG2 3.49Å; Y67-T109 VanDerWaalsContact CE2-CG2 3.49Å; H105-T109 PolarHBondContact CD2-OG1 3.47Å; H105-T109 PolarHBondContact NE2-OG1 2.68Å; H105-T109 VanDerWaalsContact O-CB 3.23Å; H105-T109 WeakPolarHBondContact O-CB 3.49Å; H105-T109 PolarHBondContact O-N 2.69Å; H105-T109 PolarHBondContact O-OG1 2.97Å; L106-T109 PolarHBondContact O-N 2.95Å; Q107-T109 VanDerWaalsContact C-N 3.29Å; Q107-T109 PolarHBondContact O-N 2.59Å; T109-E111 PolarHBondContact O-N 3.1Å; T109-K112 WeakPolarHBondContact O-CB 3.47Å; T109-K112 PolarHBondContact O-N 2.99Å; T109-N113 PolarHBondContact O-N 3.05Å; T109-N113 VanDerWaalsContact O-N 3.17Å; T109-N113 PolarHBondContact O-ND2 2.96Å
110F98.4Very high98Very high0 Ų055.6 Ų55.60%027%0.267CS..Hα-helixtrans-70.4-32.9-179.4-82.4-82.8000112.6Y67 I82 L83 V86 L106 Q107 N113 G114 Y115 I120Y67-F110 HydrophobicContact CD1-CZ 4.23Å; Y67-F110 HydrophobicContact CD2-CE1 4.5Å; Y67-F110 HydrophobicContact CD2-CZ 4.28Å; Y67-F110 HydrophobicContact CE1-CZ 4.4Å; Y67-F110 HydrophobicContact CE2-CE2 4.5Å; Y67-F110 HydrophobicContact CE2-CZ 4.45Å; Y67-F110 HydrophobicContact CG-CE1 4.21Å; Y67-F110 HydrophobicContact CG-CZ 4.16Å; I82-F110 HydrophobicContact CG2-CE1 4.16Å; I82-F110 HydrophobicContact CG2-CZ 4.2Å; L83-F110 HydrophobicContact CB-CD1 4.25Å; L83-F110 HydrophobicContact CB-CE1 3.93Å; L83-F110 HydrophobicContact CB-CZ 4.18Å; L83-F110 HydrophobicContact CD1-CB 4.37Å; L83-F110 HydrophobicContact CD1-CD1 4.03Å; L83-F110 HydrophobicContact CD1-CD2 3.55Å; L83-F110 HydrophobicContact CD1-CE1 4.21Å; L83-F110 HydrophobicContact CD1-CE2 3.75Å; L83-F110 HydrophobicContact CD1-CG 3.71Å; L83-F110 HydrophobicContact CD1-CZ 4.08Å; V86-F110 HydrophobicContact CB-CE2 4.06Å; V86-F110 HydrophobicContact CB-CZ 4.16Å; V86-F110 HydrophobicContact CG1-CE2 4.14Å; V86-F110 HydrophobicContact CG2-CE2 4.31Å; V86-F110 HydrophobicContact CG2-CZ 3.99Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.19Å; Q107-F110 PolarHBondContact O-N 2.84Å; F110-N113 CarbonylContact O-C 3.44Å; F110-N113 PolarHBondContact O-N 3.41Å; F110-N113 VanDerWaalsContact O-N 3.13Å; F110-G114 PolarHBondContact O-N 2.99Å; F110-Y115 HydrophobicContact CB-CD2 4.39Å; F110-Y115 HydrophobicContact CB-CG 4.22Å; F110-Y115 AromaticContact CD1-CD1 3.93Å; F110-Y115 HydrophobicContact CD1-CD1 3.93Å; F110-Y115 AromaticContact CD1-CD2 3.74Å; F110-Y115 HydrophobicContact CD1-CD2 3.74Å; F110-Y115 AromaticContact CD1-CE1 3.95Å; F110-Y115 HydrophobicContact CD1-CE1 3.95Å; F110-Y115 AromaticContact CD1-CE2 3.79Å; F110-Y115 HydrophobicContact CD1-CE2 3.79Å; F110-Y115 AromaticContact CD1-CG 3.84Å; F110-Y115 HydrophobicContact CD1-CG 3.84Å; F110-Y115 AromaticContact CD1-CZ 3.91Å; F110-Y115 HydrophobicContact CE1-CE1 4.22Å; F110-Y115 HydrophobicContact CE1-CE2 4.27Å; F110-Y115 WeakPolarHBondContact O-CB 3.5Å; F110-Y115 WeakPolarHBondContact O-CD2 3.43Å; F110-Y115 PolarHBondContact O-N 3.18Å; F110-I120 HydrophobicContact CB-CD1 3.75Å; F110-I120 HydrophobicContact CB-CG1 4.05Å
111E98.2Very high98Very high114 Ų11453 Ų5353%0.53326%0.257SS..Hα-helixtrans-60.2-44.8171.1-175.2179.1-169.200111.3Q107 T109 N113 G114 I120Q107-E111 VanDerWaalsContact O-CB 3.3Å; Q107-E111 WeakPolarHBondContact O-CB 3.48Å; Q107-E111 PolarHBondContact O-N 3.25Å; T109-E111 PolarHBondContact O-N 3.1Å; E111-N113 PolarHBondContact O-N 3.44Å; E111-G114 PolarHBondContact O-N 2.96Å; E111-I120 HydrophobicContact CB-CD1 4.17Å
112K98.2Very high97.9Very high159 Ų15948.5 Ų48.569%0.69124%0.243SC*.Hα-helixtrans-63.8-21.3174.2-74.8174.2-177.8-179.90114.3R108 T109 G114R108-K112 WeakPolarHBondContact O-CB 3.42Å; R108-K112 VanDerWaalsContact O-CG 3.23Å; R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 2.7Å; T109-K112 WeakPolarHBondContact O-CB 3.47Å; T109-K112 PolarHBondContact O-N 2.99Å; K112-G114 VanDerWaalsContact C-N 3.32Å
113N98Very high97.9Very high1 Ų148.5 Ų48.51%0.00524%0.243CC..THydrogen-bonded Turntrans-95.817.5173.2-69.6-89000112D65 Y67 E69 Y70 T109 F110 E111 Y115D65-N113 PolarHBondContact O-ND2 3.01Å; Y67-N113 PolarHBondContact N-OD1 3.28Å; Y67-N113 PolarHBondContact O-OD1 2.86Å; E69-N113 WeakPolarHBondContact CA-O 3.25Å; E69-N113 VanDerWaalsContact CD-C 3.47Å; E69-N113 VanDerWaalsContact CD-O 3.28Å; E69-N113 VanDerWaalsContact OE1-O 3.05Å; Y70-N113 PolarHBondContact N-O 2.93Å; T109-N113 PolarHBondContact O-N 3.05Å; T109-N113 VanDerWaalsContact O-N 3.17Å; T109-N113 PolarHBondContact O-ND2 2.96Å; F110-N113 CarbonylContact O-C 3.44Å; F110-N113 PolarHBondContact O-N 3.41Å; F110-N113 VanDerWaalsContact O-N 3.13Å; E111-N113 PolarHBondContact O-N 3.44Å; N113-Y115 HydrophobicContact CB-CD2 4.1Å; N113-Y115 HydrophobicContact CB-CE2 4.16Å; N113-Y115 WeakPolarHBondContact O-CD2 3.49Å; N113-Y115 PolarHBondContact O-N 3.35Å
114G97.8Very high97.8Very high33 Ų3348.7 Ų48.734%0.3424%0.244SC..THydrogen-bonded Turntrans80.59.7171.100000115.3E69 Y70 F110 E111 K112E69-G114 WeakPolarHBondContact OE1-CA 3.44Å; E69-G114 PolarHBondContact OE1-N 2.84Å; Y70-G114 VanDerWaalsContact CB-C 3.44Å; Y70-G114 WeakPolarHBondContact CB-O 3.44Å; F110-G114 PolarHBondContact O-N 2.99Å; E111-G114 PolarHBondContact O-N 2.96Å; K112-G114 VanDerWaalsContact C-N 3.32Å
115Y98.3Very high97.7Very high4 Ų451.5 Ų51.52%0.01626%0.255CS..  trans-72.6131.7179.7-74.1-117.5000110V68 Y70 M79 L83 F110 N113 I117V68-Y115 VanDerWaalsContact O-CE2 3.22Å; V68-Y115 WeakPolarHBondContact O-CE2 3.13Å; V68-Y115 PolarHBondContact O-OH 3.1Å; Y70-Y115 AromaticContact CD2-CD1 3.7Å; Y70-Y115 HydrophobicContact CD2-CD1 3.7Å; Y70-Y115 HydrophobicContact CD2-CD2 4.28Å; Y70-Y115 AromaticContact CD2-CE1 3.87Å; Y70-Y115 HydrophobicContact CD2-CE1 3.87Å; Y70-Y115 HydrophobicContact CD2-CE2 4.4Å; Y70-Y115 AromaticContact CD2-CG 3.91Å; Y70-Y115 HydrophobicContact CD2-CG 3.91Å; Y70-Y115 HydrophobicContact CE2-CD1 4.25Å; Y70-Y115 HydrophobicContact CE2-CE1 4.48Å; Y70-Y115 HydrophobicContact CG-CD2 4.48Å; Y70-Y115 HydrophobicContact CG-CG 4.34Å; M79-Y115 HydrophobicContact CB-CE1 3.88Å; M79-Y115 WeakPolarHBondContact CB-OH 3.37Å; M79-Y115 WeakPolarHBondContact O-CE1 3.49Å; L83-Y115 HydrophobicContact CB-CE1 4.41Å; F110-Y115 HydrophobicContact CB-CD2 4.39Å; F110-Y115 HydrophobicContact CB-CG 4.22Å; F110-Y115 AromaticContact CD1-CD1 3.93Å; F110-Y115 HydrophobicContact CD1-CD1 3.93Å; F110-Y115 AromaticContact CD1-CD2 3.74Å; F110-Y115 HydrophobicContact CD1-CD2 3.74Å; F110-Y115 AromaticContact CD1-CE1 3.95Å; F110-Y115 HydrophobicContact CD1-CE1 3.95Å; F110-Y115 AromaticContact CD1-CE2 3.79Å; F110-Y115 HydrophobicContact CD1-CE2 3.79Å; F110-Y115 AromaticContact CD1-CG 3.84Å; F110-Y115 HydrophobicContact CD1-CG 3.84Å; F110-Y115 AromaticContact CD1-CZ 3.91Å; F110-Y115 HydrophobicContact CE1-CE1 4.22Å; F110-Y115 HydrophobicContact CE1-CE2 4.27Å; F110-Y115 WeakPolarHBondContact O-CB 3.5Å; F110-Y115 WeakPolarHBondContact O-CD2 3.43Å; F110-Y115 PolarHBondContact O-N 3.18Å; N113-Y115 HydrophobicContact CB-CD2 4.1Å; N113-Y115 HydrophobicContact CB-CE2 4.16Å; N113-Y115 WeakPolarHBondContact O-CD2 3.49Å; N113-Y115 PolarHBondContact O-N 3.35Å; Y115-I117 PolarHBondContact O-N 2.99Å
116P97.6Very high97.6Very high36 Ų3655 Ų5523%0.23427%0.266CS..  trans-60.9131.9176.8-23.832.1000111.9Y70 H118 I119 I120Y70-P116 VanDerWaalsContact CD1-CD 3.45Å; Y70-P116 HydrophobicContact CD1-CG 3.99Å; Y70-P116 HydrophobicContact CE1-CG 3.53Å; P116-H118 WeakPolarHBondContact CB-CE1 3.46Å; P116-H118 PolarHBondContact O-N 2.85Å; P116-H118 VanDerWaalsContact O-N 3.12Å; P116-I119 HydrophobicContact CB-CD1 4.22Å; P116-I119 HydrophobicContact CB-CG1 4.18Å; P116-I119 HydrophobicContact CG-CD1 3.95Å; P116-I119 HydrophobicContact CG-CG1 4.45Å; P116-I119 WeakPolarHBondContact O-CA 3.43Å; P116-I119 WeakPolarHBondContact O-CB 3.4Å; P116-I119 PolarHBondContact O-N 2.82Å; P116-I120 PolarHBondContact O-N 3.05Å
117I97.9Very high97.4Very high81 Ų8158 Ų5842%0.41528%0.279SS..Hα-helixtrans-54-37.1-175.8-168.560.7000113.7Y115 I119 I120 N121Y115-I117 PolarHBondContact O-N 2.99Å; I117-I119 VanDerWaalsContact C-N 3.3Å; I117-I119 PolarHBondContact O-N 2.79Å; I117-I120 PolarHBondContact O-N 2.86Å; I117-N121 WeakPolarHBondContact O-CB 3.41Å; I117-N121 PolarHBondContact O-N 2.93Å
118H97.5Very high97.2Very high126 Ų12659.3 Ų59.358%0.58329%0.287SS*.Hα-helixtrans-65.8-31.5177.967.5-89.8000112.6P116 S122P116-H118 WeakPolarHBondContact CB-CE1 3.46Å; P116-H118 PolarHBondContact O-N 2.85Å; P116-H118 VanDerWaalsContact O-N 3.12Å; H118-S122 WeakPolarHBondContact O-CB 3.38Å; H118-S122 PolarHBondContact O-N 3Å; H118-S122 PolarHBondContact O-OG 2.78Å
119I96.5Very high96.9Very high25 Ų2558 Ų5813%0.12829%0.288CS..Hα-helixtrans-72.8-41.8175.4-62-176.5000109.9Y70 T80 L83 P116 I117 S122 T123Y70-I119 HydrophobicContact CE2-CD1 4.19Å; Y70-I119 WeakPolarHBondContact OH-CD1 3.24Å; T80-I119 HydrophobicContact CG2-CG2 4.46Å; L83-I119 HydrophobicContact CD2-CG2 4.16Å; P116-I119 HydrophobicContact CB-CD1 4.22Å; P116-I119 HydrophobicContact CB-CG1 4.18Å; P116-I119 HydrophobicContact CG-CD1 3.95Å; P116-I119 HydrophobicContact CG-CG1 4.45Å; P116-I119 WeakPolarHBondContact O-CA 3.43Å; P116-I119 WeakPolarHBondContact O-CB 3.4Å; P116-I119 PolarHBondContact O-N 2.82Å; I117-I119 VanDerWaalsContact C-N 3.3Å; I117-I119 PolarHBondContact O-N 2.79Å; I119-S122 PolarHBondContact O-OG 3.47Å; I119-T123 WeakPolarHBondContact O-CB 3.5Å; I119-T123 PolarHBondContact O-N 2.95Å; I119-T123 PolarHBondContact O-OG1 3.35Å
120I98.3Very high96.3Very high0 Ų060.3 Ų60.30%031%0.312CS..Hα-helixtrans-58.4-59.8176.6-60174.5000109.5Q107 F110 E111 P116 I117 S122 T123 I124Q107-I120 HydrophobicContact CB-CG2 4.2Å; Q107-I120 HydrophobicContact CG-CG2 3.8Å; F110-I120 HydrophobicContact CB-CD1 3.75Å; F110-I120 HydrophobicContact CB-CG1 4.05Å; E111-I120 HydrophobicContact CB-CD1 4.17Å; P116-I120 PolarHBondContact O-N 3.05Å; I117-I120 PolarHBondContact O-N 2.86Å; I120-S122 PolarHBondContact O-N 2.98Å; I120-T123 PolarHBondContact O-N 3.44Å; I120-T123 VanDerWaalsContact O-N 3.14Å; I120-I124 HydrophobicContact CG2-CD1 3.95Å; I120-I124 WeakPolarHBondContact O-CG1 3.31Å; I120-I124 PolarHBondContact O-N 3.23Å
121N97.9Very high94.9Very high68 Ų6864.1 Ų64.136%0.36434%0.338SS..Hα-helixtrans-62.7-45.2-175.3-66.9-4.4000112I117 T123 I124 Q125I117-N121 WeakPolarHBondContact O-CB 3.41Å; I117-N121 PolarHBondContact O-N 2.93Å; N121-T123 VanDerWaalsContact C-N 3.26Å; N121-T123 PolarHBondContact O-N 3.31Å; N121-I124 PolarHBondContact O-N 3.39Å; N121-Q125 VanDerWaalsContact O-CB 3.28Å; N121-Q125 WeakPolarHBondContact O-CB 3.43Å; N121-Q125 PolarHBondContact O-N 3.3Å
122S96.6Very high93.2Very high55 Ų5564.7 Ų64.739%0.38535%0.35SS..Hα-helixtrans-66.8-26.9178.564.50000113.4H118 I119 I120 R126H118-S122 WeakPolarHBondContact O-CB 3.38Å; H118-S122 PolarHBondContact O-N 3Å; H118-S122 PolarHBondContact O-OG 2.78Å; I119-S122 PolarHBondContact O-OG 3.47Å; I120-S122 PolarHBondContact O-N 2.98Å; S122-R126 VanDerWaalsContact O-CB 3.22Å; S122-R126 WeakPolarHBondContact O-CB 3.45Å; S122-R126 PolarHBondContact O-N 2.8Å
123T96.5Very high91.5Very high8 Ų867.8 Ų67.85%0.04936%0.357CS..Hα-helixtrans-74.4-47.1175.2-61.90000110.7L83 R84 I119 I120 N121 K127L83-T123 HydrophobicContact CD2-CG2 3.95Å; L83-T123 HydrophobicContact CG-CG2 3.92Å; R84-T123 HydrophobicContact CB-CG2 4.5Å; R84-T123 HydrophobicContact CG-CG2 3.55Å; I119-T123 WeakPolarHBondContact O-CB 3.5Å; I119-T123 PolarHBondContact O-N 2.95Å; I119-T123 PolarHBondContact O-OG1 3.35Å; I120-T123 PolarHBondContact O-N 3.44Å; I120-T123 VanDerWaalsContact O-N 3.14Å; N121-T123 VanDerWaalsContact C-N 3.26Å; N121-T123 PolarHBondContact O-N 3.31Å; T123-K127 VanDerWaalsContact O-CG 3.27Å; T123-K127 WeakPolarHBondContact O-CG 3.35Å; T123-K127 PolarHBondContact O-N 2.94Å
124I97.2Very high89.8Confident8 Ų873.7 Ų73.74%0.04139%0.394CS..Hα-helixtrans-59.1-51.8176.5-67.9170.9000110.1V87 L103 Q107 I120 N121 R126 K127 L128V87-I124 HydrophobicContact CG1-CG1 4.46Å; V87-I124 HydrophobicContact CG2-CG1 3.84Å; L103-I124 HydrophobicContact CD1-CG2 4.06Å; L103-I124 HydrophobicContact CD2-CG2 4.07Å; Q107-I124 HydrophobicContact CG-CD1 3.51Å; I120-I124 HydrophobicContact CG2-CD1 3.95Å; I120-I124 WeakPolarHBondContact O-CG1 3.31Å; I120-I124 PolarHBondContact O-N 3.23Å; N121-I124 PolarHBondContact O-N 3.39Å; I124-R126 PolarHBondContact O-N 3.18Å; I124-K127 WeakPolarHBondContact O-CB 3.49Å; I124-K127 PolarHBondContact O-N 2.88Å; I124-L128 HydrophobicContact CG2-CD1 3.86Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 PolarHBondContact O-N 3.48Å
125Q96.4Very high88.1Confident97 Ų9781.7 Ų81.745%0.45342%0.419SS..Hα-helixtrans-57.6-47.7-178.2-174.561.22200112.1N121 K127 L128 E129N121-Q125 VanDerWaalsContact O-CB 3.28Å; N121-Q125 WeakPolarHBondContact O-CB 3.43Å; N121-Q125 PolarHBondContact O-N 3.3Å; Q125-K127 PolarHBondContact O-N 2.75Å; Q125-L128 PolarHBondContact O-N 2.82Å; Q125-E129 HydrophobicContact CG-CG 4.49Å; Q125-E129 VanDerWaalsContact CG-OE1 3.31Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.38Å; Q125-E129 PolarHBondContact NE2-OE1 3.26Å; Q125-E129 WeakPolarHBondContact O-CB 3.3Å; Q125-E129 VanDerWaalsContact O-CG 3.32Å; Q125-E129 WeakPolarHBondContact O-CG 3.35Å; Q125-E129 PolarHBondContact O-N 2.9Å
126R95.2Very high86.7Confident128 Ų12886.2 Ų86.248%0.48345%0.451SS..Hα-helixtrans-60.8-33.8178.9-175-174-50.9-149.5-2.1112.9S122 I124 S131S122-R126 VanDerWaalsContact O-CB 3.22Å; S122-R126 WeakPolarHBondContact O-CB 3.45Å; S122-R126 PolarHBondContact O-N 2.8Å; I124-R126 PolarHBondContact O-N 3.18Å; R126-S131 PolarHBondContact O-N 3.05Å
127K94.4Very high85.2Confident64 Ų6490.6 Ų90.628%0.27848%0.479SS..Hα-helixtrans-74.6-41179.1-71.9-64-164.3161.50111.4V87 D88 L91 T123 I124 Q125 E129 G130V87-K127 HydrophobicContact CG1-CB 3.81Å; V87-K127 HydrophobicContact CG1-CG 3.93Å; D88-K127 VanDerWaalsContact OD1-CD 3.25Å; D88-K127 WeakPolarHBondContact OD1-CD 3.26Å; D88-K127 WeakPolarHBondContact OD1-CE 3.47Å; D88-K127 IonicContact OD1-NZ 2.62Å; D88-K127 PolarHBondContact OD1-NZ 3.19Å; D88-K127 WeakPolarHBondContact OD2-CE 3.13Å; D88-K127 IonicContact OD2-NZ 2.68Å; D88-K127 PolarHBondContact OD2-NZ 2.98Å; L91-K127 HydrophobicContact CD1-CB 3.65Å; T123-K127 VanDerWaalsContact O-CG 3.27Å; T123-K127 WeakPolarHBondContact O-CG 3.35Å; T123-K127 PolarHBondContact O-N 2.94Å; I124-K127 WeakPolarHBondContact O-CB 3.49Å; I124-K127 PolarHBondContact O-N 2.88Å; Q125-K127 PolarHBondContact O-N 2.75Å; K127-E129 VanDerWaalsContact C-N 3.34Å; K127-G130 PolarHBondContact O-N 3.34Å; K127-G130 VanDerWaalsContact O-N 3.16Å
128L93.9Very high83.8Confident82 Ų8290.8 Ų90.843%0.42949%0.493SS..Hα-helixtrans-62.4-39.8172.9-70.8171.8000112.5L91 L99 L103 I124 Q125 G130L91-L128 HydrophobicContact CD2-CD2 3.61Å; L99-L128 HydrophobicContact CD2-CD2 4.38Å; L103-L128 HydrophobicContact CD1-CD1 4.15Å; L103-L128 HydrophobicContact CD1-CD2 4.25Å; I124-L128 HydrophobicContact CG2-CD1 3.86Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 PolarHBondContact O-N 3.48Å; Q125-L128 PolarHBondContact O-N 2.82Å; L128-G130 PolarHBondContact O-N 3.28Å; L128-G130 VanDerWaalsContact O-N 3.16Å
129E92.8Very high82.3Confident127 Ų12791.6 Ų91.659%0.59351%0.509SS*.THydrogen-bonded Turntrans-70.7-4.1176.9-70.4169.8178.900113.6Q125 K127 S131Q125-E129 HydrophobicContact CG-CG 4.49Å; Q125-E129 VanDerWaalsContact CG-OE1 3.31Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.38Å; Q125-E129 PolarHBondContact NE2-OE1 3.26Å; Q125-E129 WeakPolarHBondContact O-CB 3.3Å; Q125-E129 VanDerWaalsContact O-CG 3.32Å; Q125-E129 WeakPolarHBondContact O-CG 3.35Å; Q125-E129 PolarHBondContact O-N 2.9Å; K127-E129 VanDerWaalsContact C-N 3.34Å; E129-S131 PolarHBondContact O-N 3.44Å
130G83.9Confident81.3Confident51 Ų5193.3 Ų93.353%0.52653%0.533SS..THydrogen-bonded Turntrans6525.1178.500000113.9K127 L128 T132K127-G130 PolarHBondContact O-N 3.34Å; K127-G130 VanDerWaalsContact O-N 3.16Å; L128-G130 PolarHBondContact O-N 3.28Å; L128-G130 VanDerWaalsContact O-N 3.16Å; G130-T132 PolarHBondContact O-N 2.95Å
131S69.4Low80.3Confident79 Ų79101.8 Ų101.855%0.55258%0.578SS**  trans-61.599.9-173.8-173.60000111.7R126 E129 R133R126-S131 PolarHBondContact O-N 3.05Å; E129-S131 PolarHBondContact O-N 3.44Å; S131-R133 PolarHBondContact O-N 3.48Å
132T62.9Low79.3Confident127 Ų127109.4 Ų109.478%0.77960%0.601SS**  trans-82.5110.5171.642.20000108.5G130 T134G130-T132 PolarHBondContact O-N 2.95Å; T132-T134 PolarHBondContact O-N 3.32Å; T132-T134 VanDerWaalsContact O-N 3.1Å
133R61.8Low78.4Confident223 Ų223114 Ų11484%0.84262%0.621SS**  trans-68.7111.1167.7-139.6177.898.9164.78.4107.1S131 K135S131-R133 PolarHBondContact O-N 3.48Å; R133-K135 PolarHBondContact O-N 2.92Å
134T62.2Low77.5Confident126 Ų126119.9 Ų119.977%0.77366%0.657SS**  trans-54.5112.7168.946.40000108.1T132 S136T132-T134 PolarHBondContact O-N 3.32Å; T132-T134 VanDerWaalsContact O-N 3.1Å; T134-S136 PolarHBondContact O-N 3.47Å
135K62.9Low76.5Confident201 Ų201124.9 Ų124.987%0.87468%0.683SS**  trans-73.397.8175.8-69.9-178.9-177.8173.50107.3R133 P137R133-K135 PolarHBondContact O-N 2.92Å; K135-P137 WeakPolarHBondContact O-CD 3.46Å
136S68.7Low75.6Confident99 Ų99126 Ų12669%0.69270%0.699SS**  trans-65.3122.2160.455.30000107.5T134 A138T134-S136 PolarHBondContact O-N 3.47Å; S136-A138 PolarHBondContact O-N 3.23Å
137P66.8Low74.8Confident127 Ų127123.6 Ų123.683%0.82569%0.69SS**  trans-60.8115.4172.522.5-28.6000108.3K135 P139K135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-P139 WeakPolarHBondContact O-CD 3.5Å
138A68.4Low74Confident86 Ų86128.2 Ų128.271%0.71171%0.707SS**  trans-93.8114.1173.500000108.2S136 G140S136-A138 PolarHBondContact O-N 3.23Å; A138-G140 PolarHBondContact O-N 2.87Å
139P65.4Low73.1Confident142 Ų142125.9 Ų125.992%0.92270%0.699SS**  trans-83.634.4-171.732.1-33.6000114.2P137P137-P139 WeakPolarHBondContact O-CD 3.5Å
140G75.2Confident72.3Confident61 Ų61121.6 Ų121.663%0.62969%0.689SS**  trans-99.3151.1-174.300000114.9A138 R142A138-G140 PolarHBondContact O-N 2.87Å; G140-R142 PolarHBondContact O-N 2.93Å
141L77.4Confident72Confident179 Ų179123.7 Ų123.794%0.93769%0.686SS**  trans-53.2128.6164.1-82.2147.1000110.1
142R77.7Confident72.1Confident227 Ų227121.4 Ų121.486%0.85767%0.674SS**  trans-105.8111.1175.2-175.1-177.9-68.9-137.61109.5G140G140-R142 PolarHBondContact O-N 2.93Å
143L77.2Confident72.8Confident153 Ų153119.2 Ų119.280%0.80166%0.655SS**  trans-92.5132.9170.7-66.5168.5000109.7
144V77.4Confident73.5Confident131 Ų131114.9 Ų114.979%0.79464%0.642SS**  trans-112.4115.9174.8-178.10000107.7
145L75.9Confident73.9Confident112 Ų112113 Ų11359%0.58663%0.627SS**  trans-113.7146.3178.9-64.9172000109.7Y147 I155L145-Y147 PolarHBondContact O-N 3.3Å; L145-I155 HydrophobicContact CD1-CG2 4.32Å
146P78.4Confident74.1Confident121 Ų121112 Ų11279%0.78662%0.622SS**  trans-52.7139.2168-24.534.1000111Y148P146-Y148 PolarHBondContact O-N 3.1Å
147Y77.5Confident73.8Confident78 Ų78118.1 Ų118.131%0.30663%0.63SS.*  trans-72.8129.1178.9177-107.2000110.8H73 P75 L145 A149 E153H73-Y147 AromaticContact CD2-CD1 3.93Å; H73-Y147 AromaticContact CD2-CE1 3.62Å; H73-Y147 AromaticContact NE2-CE1 3.94Å; H73-Y147 WeakPolarHBondContact O-CE1 3.36Å; P75-Y147 HydrophobicContact CB-CD2 4.09Å; P75-Y147 HydrophobicContact CB-CE2 4.05Å; P75-Y147 HydrophobicContact CG-CD1 4.23Å; P75-Y147 HydrophobicContact CG-CD2 3.44Å; P75-Y147 VanDerWaalsContact CG-CD2 3.44Å; P75-Y147 HydrophobicContact CG-CE2 3.85Å; P75-Y147 HydrophobicContact CG-CG 3.61Å; L145-Y147 PolarHBondContact O-N 3.3Å; Y147-A149 HydrophobicContact CE1-CB 4.06Å; Y147-E153 WeakPolarHBondContact CE2-OE1 3.27Å; Y147-E153 PolarHBondContact OH-OE1 3.43Å; Y147-E153 VanDerWaalsContact OH-OE1 3.12Å
148Y78.2Confident73.4Confident160 Ų160121.9 Ų121.963%0.62764%0.642SS**  trans-135.6114.7169.4-170.5-87.8000108P146 G150 Q151 G152P146-Y148 PolarHBondContact O-N 3.1Å; Y148-G150 PolarHBondContact O-N 3.29Å; Y148-Q151 HydrophobicContact CD1-CB 3.86Å; Y148-Q151 HydrophobicContact CD1-CG 3.58Å; Y148-Q151 HydrophobicContact CE1-CG 3.93Å; Y148-Q151 PolarHBondContact O-N 3.37Å; Y148-G152 PolarHBondContact O-N 2.83Å
149A75.8Confident73.7Confident33 Ų33123.7 Ų123.727%0.27364%0.639SS.*THydrogen-bonded Turntrans-62139.1-17300000111.5H73 Y147 Q151H73-A149 WeakPolarHBondContact CE1-CB 3.35Å; H73-A149 WeakPolarHBondContact NE2-CB 3.43Å; H73-A149 PolarHBondContact NE2-N 2.83Å; H73-A149 VanDerWaalsContact NE2-N 3.2Å; Y147-A149 HydrophobicContact CE1-CB 4.06Å; A149-Q151 PolarHBondContact O-N 2.71Å
150G76.4Confident74.1Confident37 Ų37122.7 Ų122.738%0.38162%0.624SS.*THydrogen-bonded Turntrans85-23.3-179.700000114Y148 E153 K154Y148-G150 PolarHBondContact O-N 3.29Å; G150-E153 PolarHBondContact N-OE2 2.96Å; G150-K154 WeakPolarHBondContact O-CD 3.49Å; G150-K154 WeakPolarHBondContact O-CE 3.33Å; G150-K154 VanDerWaalsContact O-CG 3.28Å; G150-K154 WeakPolarHBondContact O-CG 3.32Å
151Q76.9Confident74Confident96 Ų96126.1 Ų126.145%0.44962%0.624SS.*THydrogen-bonded Turntrans-100.6-43.7174.1-61.9-66.68500111.5Y148 A149 E153 K154 I155Y148-Q151 HydrophobicContact CD1-CB 3.86Å; Y148-Q151 HydrophobicContact CD1-CG 3.58Å; Y148-Q151 HydrophobicContact CE1-CG 3.93Å; Y148-Q151 PolarHBondContact O-N 3.37Å; A149-Q151 PolarHBondContact O-N 2.71Å; Q151-E153 VanDerWaalsContact C-N 3.31Å; Q151-E153 PolarHBondContact O-N 3.27Å; Q151-K154 PolarHBondContact O-N 3.27Å; Q151-K154 VanDerWaalsContact O-N 3.14Å; Q151-I155 WeakPolarHBondContact O-CG1 3.5Å; Q151-I155 PolarHBondContact O-N 3.44Å
152G72Confident73.9Confident31 Ų31123 Ų12332%0.3261%0.605SS.*Hα-helixtrans-60.6-38-179.800000113.1Y148 K156Y148-G152 PolarHBondContact O-N 2.83Å; G152-K156 PolarHBondContact O-N 3.23Å
153E76.3Confident73.6Confident81 Ų81116.5 Ų116.538%0.37959%0.59SS.*Hα-helixtrans-69.3-33.9176.5-65.881.8-18000113Y147 G150 Q151Y147-E153 WeakPolarHBondContact CE2-OE1 3.27Å; Y147-E153 PolarHBondContact OH-OE1 3.43Å; Y147-E153 VanDerWaalsContact OH-OE1 3.12Å; G150-E153 PolarHBondContact N-OE2 2.96Å; Q151-E153 VanDerWaalsContact C-N 3.31Å; Q151-E153 PolarHBondContact O-N 3.27Å
154K76.4Confident73.4Confident131 Ų131114.1 Ų114.157%0.5758%0.575SS**Hα-helixtrans-72.8-44.8179.3-70.2177.5-170.5165.30111.1G150 Q151 K156 R157G150-K154 WeakPolarHBondContact O-CD 3.49Å; G150-K154 WeakPolarHBondContact O-CE 3.33Å; G150-K154 VanDerWaalsContact O-CG 3.28Å; G150-K154 WeakPolarHBondContact O-CG 3.32Å; Q151-K154 PolarHBondContact O-N 3.27Å; Q151-K154 VanDerWaalsContact O-N 3.14Å; K154-K156 PolarHBondContact O-N 2.79Å; K154-R157 WeakPolarHBondContact O-CB 3.33Å; K154-R157 PolarHBondContact O-N 3.15Å
155I70.7Confident73.1Confident87 Ų87112.9 Ų112.945%0.44656%0.56SS.*Hα-helixtrans-62-34.9179.9-65.9166.7000110.8L145 Q151 R157 L158L145-I155 HydrophobicContact CD1-CG2 4.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.5Å; Q151-I155 PolarHBondContact O-N 3.44Å; I155-R157 PolarHBondContact O-N 3.33Å; I155-R157 VanDerWaalsContact O-N 3.17Å; I155-L158 PolarHBondContact O-N 2.94Å
156K66.9Low72.9Confident180 Ų180112.9 Ų112.978%0.78356%0.558SS**THydrogen-bonded Turntrans-64.8-16.4176.5-165.7176178.8-177.80114.1G152 K154G152-K156 PolarHBondContact O-N 3.23Å; K154-K156 PolarHBondContact O-N 2.79Å
157R63Low72.4Confident228 Ų228112.3 Ų112.386%0.8654%0.539SS*.THydrogen-bonded Turntrans-93.2-11.5178-65.1-176.4-179.2-166.6-0.1113.5K154 I155K154-R157 WeakPolarHBondContact O-CB 3.33Å; K154-R157 PolarHBondContact O-N 3.15Å; I155-R157 PolarHBondContact O-N 3.33Å; I155-R157 VanDerWaalsContact O-N 3.17Å
158L59Low72Confident205 Ų205115.4 Ų115.4100%1.07356%0.56SS**  trans-80.60171.2-64.8171.9000109.4I155I155-L158 PolarHBondContact O-N 2.94Å

Retrieved 158 of 158 residues in 199.9 ms (Link to these results)

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