A0A3Q0KDR4_SCHMA Loading...

ER membrane protein complex subunit 3

AlphaFold DB , UniProt , Accession A0A3Q0KDR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 210 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
1M39.1Very low56.7Low234 Ų234143.7 Ų143.7100%1.15373%0.734SS**  0-17.90-128.2174.8-17700113.7
2F47.9Very low58.3Low206 Ų206138.9 Ų138.990%0.90471%0.711SS**  trans-116.439.3172.9-60.8-70.2000113S4F2-S4 PolarHBondContact O-N 3.31Å; F2-S4 VanDerWaalsContact O-N 3.13Å
3S49Very low60Low114 Ų114133.7 Ų133.780%0.79768%0.684SS**  trans-75.3107.9171.6-155.10000107.2E5S3-E5 PolarHBondContact O-N 3.01Å
4S50.4Low61.8Low94 Ų94126.9 Ų126.966%0.65766%0.663SS**  trans-70.296.6174.5-173.60000107.7F2 K6F2-S4 PolarHBondContact O-N 3.31Å; F2-S4 VanDerWaalsContact O-N 3.13Å; S4-K6 PolarHBondContact O-N 3.19Å
5E48.5Very low63.3Low185 Ų185118.5 Ų118.586%0.86462%0.619SS**  trans-68.984.2162.3-81.3-173.6144.700107.5S3 K7S3-E5 PolarHBondContact O-N 3.01Å; E5-K7 PolarHBondContact O-N 3.49Å
6K55.5Low64.6Low104 Ų104114.8 Ų114.845%0.45261%0.606SS.*  trans-60.2115.2164.9-80.7-169.6176.1-173.40107S4 G8 E73S4-K6 PolarHBondContact O-N 3.19Å; K6-G8 PolarHBondContact O-N 2.91Å; K6-E73 WeakPolarHBondContact CE-OE2 3.49Å; K6-E73 IonicContact NZ-OE1 2.57Å; K6-E73 IonicContact NZ-OE2 2.76Å; K6-E73 PolarHBondContact NZ-OE2 2.95Å
7K52.1Low66Low211 Ų211115.1 Ų115.192%0.91760%0.604SS**  trans-61.493.8166.7-82.3-176.9174.6-179.90107.5E5 E9E5-K7 PolarHBondContact O-N 3.49Å; K7-E9 PolarHBondContact O-N 3.05Å
8G60.2Low67.3Low38 Ų38109.5 Ų109.539%0.39258%0.577SS.*  trans-57133.5172.100000108.7K6 L10 I13K6-G8 PolarHBondContact O-N 2.91Å; G8-L10 PolarHBondContact O-N 3.41Å; G8-I13 WeakPolarHBondContact O-CD1 3.32Å
9E68.1Low68.4Low131 Ų131105.3 Ų105.361%0.61255%0.554SS**  trans-56.7126.7171.7-163.7165.8-154.600108.2K7 E11 N12 I13K7-E9 PolarHBondContact O-N 3.05Å; E9-E11 HydrophobicContact CG-CB 4.5Å; E9-E11 PolarHBondContact O-N 3.15Å; E9-N12 PolarHBondContact O-N 3.18Å; E9-I13 PolarHBondContact O-N 2.97Å; E9-I13 VanDerWaalsContact O-N 3.15Å
10L75.8Confident69.5Low155 Ų155104.4 Ų104.481%0.81255%0.549SS*.Hα-helixtrans-53.1-33-172.4-75.3166.5000112.1G8 I13 G14G8-L10 PolarHBondContact O-N 3.41Å; L10-I13 PolarHBondContact O-N 3.23Å; L10-G14 PolarHBondContact O-N 3.38Å
11E77.1Confident70.5Confident109 Ų109106.5 Ų106.551%0.50955%0.55SS..Hα-helixtrans-60.1-48.5176-121.6-16689.100112.5E9 G14 D15 R57E9-E11 HydrophobicContact CG-CB 4.5Å; E9-E11 PolarHBondContact O-N 3.15Å; E11-G14 PolarHBondContact O-N 3.34Å; E11-D15 PolarHBondContact O-N 3Å; E11-R57 VanDerWaalsContact C-NH1 3.3Å; E11-R57 VanDerWaalsContact CD-NH1 3.29Å; E11-R57 VanDerWaalsContact CG-CZ 3.44Å; E11-R57 PolarHBondContact O-NH1 3Å; E11-R57 PolarHBondContact O-NH2 3.35Å; E11-R57 VanDerWaalsContact OE1-CD 3.25Å; E11-R57 WeakPolarHBondContact OE1-CD 3.39Å; E11-R57 IonicContact OE1-CZ 2.73Å; E11-R57 IonicContact OE1-NE 3.12Å; E11-R57 PolarHBondContact OE1-NE 2.94Å; E11-R57 VanDerWaalsContact OE1-NE 3.17Å; E11-R57 IonicContact OE1-NH1 2.73Å; E11-R57 PolarHBondContact OE1-NH1 3.46Å; E11-R57 IonicContact OE1-NH2 3.05Å
12N76.4Confident73Confident86 Ų8695.4 Ų95.446%0.4650%0.495SS..Hα-helixtrans-68.4-36.6179.5-76.4-29.8000112E9 S16E9-N12 PolarHBondContact O-N 3.18Å; N12-S16 WeakPolarHBondContact O-CB 3.32Å; N12-S16 PolarHBondContact O-N 3.4Å
13I80.6Confident75Confident71 Ų7192.2 Ų92.236%0.36448%0.477SS..Hα-helixtrans-62.9-48.9174-64.9173.1000109.3G8 E9 L10 D15 S16 H17G8-I13 WeakPolarHBondContact O-CD1 3.32Å; E9-I13 PolarHBondContact O-N 2.97Å; E9-I13 VanDerWaalsContact O-N 3.15Å; L10-I13 PolarHBondContact O-N 3.23Å; I13-D15 VanDerWaalsContact C-N 3.32Å; I13-D15 PolarHBondContact O-N 3.42Å; I13-S16 WeakPolarHBondContact O-CB 3.37Å; I13-S16 PolarHBondContact O-N 3.15Å; I13-H17 PolarHBondContact O-CD2 3.02Å; I13-H17 PolarHBondContact O-N 3.44Å
14G84.5Confident77Confident38 Ų3890.9 Ų90.939%0.39246%0.46SS..Hα-helixtrans-55-45.1178.200000113L10 E11 H17 A18L10-G14 PolarHBondContact O-N 3.38Å; E11-G14 PolarHBondContact O-N 3.34Å; G14-H17 PolarHBondContact O-N 3.42Å; G14-A18 PolarHBondContact O-N 2.73Å
15D84.4Confident79Confident1 Ų187 Ų871%0.00543%0.432CS..Hα-helixtrans-67.5-41.4178-69.6-20.9000113.4E11 I13 H17 A18 L19 Q55 R57 M178 F182E11-D15 PolarHBondContact O-N 3Å; I13-D15 VanDerWaalsContact C-N 3.32Å; I13-D15 PolarHBondContact O-N 3.42Å; D15-H17 VanDerWaalsContact C-N 3.27Å; D15-H17 PolarHBondContact O-N 2.96Å; D15-A18 WeakPolarHBondContact O-CB 3.37Å; D15-A18 PolarHBondContact O-N 3.2Å; D15-A18 VanDerWaalsContact O-N 3.08Å; D15-L19 PolarHBondContact O-N 3.36Å; D15-Q55 PolarHBondContact OD1-OE1 2.83Å; D15-R57 IonicContact OD1-CZ 3.53Å; D15-R57 IonicContact OD1-NE 2.89Å; D15-R57 IonicContact OD1-NH1 3.7Å; D15-R57 IonicContact OD1-NH2 3.36Å; D15-R57 PolarHBondContact OD1-NH2 3.22Å; D15-R57 IonicContact OD2-CZ 3.18Å; D15-R57 IonicContact OD2-NE 3.67Å; D15-R57 PolarHBondContact OD2-NE 3.47Å; D15-R57 VanDerWaalsContact OD2-NE 3.12Å; D15-R57 IonicContact OD2-NH1 3.83Å; D15-R57 PolarHBondContact OD2-NH1 3.22Å; D15-R57 IonicContact OD2-NH2 2.62Å; D15-R57 PolarHBondContact OD2-NH2 2.62Å; D15-M178 HydrophobicContact CB-CE 4.36Å; D15-M178 HydrophobicContact CB-CG 4.49Å; D15-M178 HydrophobicContact CB-SD 3.26Å; D15-M178 WeakPolarHBondContact CB-SD 3.4Å; D15-F182 HydrophobicContact CB-CE1 4.28Å; D15-F182 HydrophobicContact CB-CZ 3.75Å; D15-F182 VanDerWaalsContact CG-CZ 3.49Å; D15-F182 WeakPolarHBondContact OD1-CZ 3.42Å
16S83.8Confident81Confident59 Ų5982 Ų8241%0.41341%0.405SS..Hα-helixtrans-57.6-44.9175.9-174.10000110.5N12 I13 A18 L19 I20N12-S16 WeakPolarHBondContact O-CB 3.32Å; N12-S16 PolarHBondContact O-N 3.4Å; I13-S16 WeakPolarHBondContact O-CB 3.37Å; I13-S16 PolarHBondContact O-N 3.15Å; S16-A18 PolarHBondContact O-N 3.05Å; S16-L19 PolarHBondContact O-N 2.88Å; S16-I20 VanDerWaalsContact O-CG1 3.26Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.11Å
17H88.7Confident82.7Confident121 Ų12182 Ų8256%0.5641%0.407SS*.Hα-helixtrans-64.1-37.5174.5-77.6-75.3000112.9I13 G14 D15 I20 R21I13-H17 PolarHBondContact O-CD2 3.02Å; I13-H17 PolarHBondContact O-N 3.44Å; G14-H17 PolarHBondContact O-N 3.42Å; D15-H17 VanDerWaalsContact C-N 3.27Å; D15-H17 PolarHBondContact O-N 2.96Å; H17-I20 PolarHBondContact O-N 3.31Å; H17-R21 VanDerWaalsContact O-CB 3.27Å; H17-R21 WeakPolarHBondContact O-CB 3.49Å; H17-R21 PolarHBondContact O-N 3.35Å
18A89Confident84.6Confident14 Ų1475.3 Ų75.312%0.11638%0.381CS..Hα-helixtrans-63.6-43.5175.700000112G14 D15 S16 R21 S22 F51G14-A18 PolarHBondContact O-N 2.73Å; D15-A18 WeakPolarHBondContact O-CB 3.37Å; D15-A18 PolarHBondContact O-N 3.2Å; D15-A18 VanDerWaalsContact O-N 3.08Å; S16-A18 PolarHBondContact O-N 3.05Å; A18-R21 PolarHBondContact O-N 3.37Å; A18-S22 PolarHBondContact O-N 3.01Å; A18-F51 HydrophobicContact CB-CD1 4.23Å; A18-F51 HydrophobicContact CB-CE1 3.49Å; A18-F51 VanDerWaalsContact CB-CE1 3.49Å; A18-F51 HydrophobicContact CB-CZ 3.8Å
19L89.7Confident85.9Confident29 Ų2973.5 Ų73.515%0.15236%0.363CS..Hα-helixtrans-61.1-48.4173.7-76.7177.7000111.9D15 S16 R21 S22 R23 F52 M178 A181 F182 E185D15-L19 PolarHBondContact O-N 3.36Å; S16-L19 PolarHBondContact O-N 2.88Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.29Å; L19-S22 PolarHBondContact O-N 3.24Å; L19-S22 VanDerWaalsContact O-N 3.16Å; L19-R23 PolarHBondContact O-N 3.38Å; L19-F52 HydrophobicContact CD2-CE1 4.18Å; L19-M178 HydrophobicContact CD1-CE 3.47Å; L19-M178 VanDerWaalsContact CD1-CE 3.47Å; L19-M178 HydrophobicContact CD1-SD 4.12Å; L19-M178 HydrophobicContact CD2-CE 4.32Å; L19-M178 HydrophobicContact CG-CE 3.96Å; L19-A181 HydrophobicContact CD1-CB 4Å; L19-A181 HydrophobicContact CD2-CB 4.49Å; L19-F182 HydrophobicContact CD2-CD1 3.66Å; L19-F182 HydrophobicContact CD2-CE1 4.05Å; L19-F182 HydrophobicContact CG-CD1 4.11Å; L19-F182 HydrophobicContact CG-CE1 3.99Å; L19-E185 HydrophobicContact CD2-CB 4.02Å; L19-E185 HydrophobicContact CD2-CG 4.4Å
20I90Very high87Confident87 Ų8773.5 Ų73.545%0.44636%0.357SS..Hα-helixtrans-58.4-43.5177.4-68.6164.5000110.2S16 H17 S22 R23 L24S16-I20 VanDerWaalsContact O-CG1 3.26Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.11Å; H17-I20 PolarHBondContact O-N 3.31Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.47Å; I20-R23 PolarHBondContact O-N 3.28Å; I20-L24 HydrophobicContact CG2-CD1 3.94Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.05Å; I20-L24 PolarHBondContact O-N 2.89Å
21R90.7Very high87.6Confident150 Ų15071.3 Ų71.357%0.56634%0.341SS*.Hα-helixtrans-62.4-39.5178.5-175.7175.4178173.5-0.4112.2H17 A18 L19 L25 F44H17-R21 VanDerWaalsContact O-CB 3.27Å; H17-R21 WeakPolarHBondContact O-CB 3.49Å; H17-R21 PolarHBondContact O-N 3.35Å; A18-R21 PolarHBondContact O-N 3.37Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.29Å; R21-L25 WeakPolarHBondContact O-CB 3.39Å; R21-L25 PolarHBondContact O-N 2.96Å; R21-F44 HydrophobicContact CB-CZ 4.46Å; R21-F44 HydrophobicContact CG-CZ 4.1Å
22S90.7Very high88.3Confident0 Ų068.5 Ų68.50%033%0.33CS..Hα-helixtrans-67.2-43.8175-177.50000112.2A18 L19 I20 L24 L25 R26 E185A18-S22 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-N 3.24Å; L19-S22 VanDerWaalsContact O-N 3.16Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.47Å; S22-L24 VanDerWaalsContact C-N 3.33Å; S22-L24 PolarHBondContact O-N 3.03Å; S22-L25 WeakPolarHBondContact O-CB 3.47Å; S22-L25 PolarHBondContact O-N 3.33Å; S22-L25 VanDerWaalsContact O-N 3.12Å; S22-R26 PolarHBondContact O-N 3.12Å; S22-E185 WeakPolarHBondContact OG-CG 3.4Å
23R90.4Very high89Confident139 Ų13967.3 Ų67.353%0.52533%0.327SS..Hα-helixtrans-59.2-45.2174.8-176.4-178.6-77.7-173.3-6.5111.3L19 I20 L25 R26 E27L19-R23 PolarHBondContact O-N 3.38Å; I20-R23 PolarHBondContact O-N 3.28Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.95Å; R23-R26 WeakPolarHBondContact O-CB 3.32Å; R23-R26 PolarHBondContact O-N 3.42Å; R23-R26 VanDerWaalsContact O-N 3.12Å; R23-E27 HydrophobicContact CG-CG 4.41Å; R23-E27 WeakPolarHBondContact CG-OE1 3.35Å; R23-E27 WeakPolarHBondContact O-CG 3.28Å; R23-E27 PolarHBondContact O-N 3.38Å
24L91.4Very high89.5Confident87 Ų8765.5 Ų65.546%0.45532%0.322SS..Hα-helixtrans-62.5-38.1175.4-74.4172.1000112.3I20 S22 R26 N28I20-L24 HydrophobicContact CG2-CD1 3.94Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.05Å; I20-L24 PolarHBondContact O-N 2.89Å; S22-L24 VanDerWaalsContact C-N 3.33Å; S22-L24 PolarHBondContact O-N 3.03Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.44Å; L24-N28 WeakPolarHBondContact O-CA 3.45Å; L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.23Å
25L92.1Very high89.9Confident11 Ų1171.9 Ų71.96%0.05834%0.339CS..Hα-helixtrans-63.3-39.3174.2-178.166.4000111R21 S22 R23 G29 L32 F37 R40 F44 L189R21-L25 WeakPolarHBondContact O-CB 3.39Å; R21-L25 PolarHBondContact O-N 2.96Å; S22-L25 WeakPolarHBondContact O-CB 3.47Å; S22-L25 PolarHBondContact O-N 3.33Å; S22-L25 VanDerWaalsContact O-N 3.12Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.95Å; L25-G29 WeakPolarHBondContact O-CA 3.4Å; L25-G29 PolarHBondContact O-N 3.48Å; L25-L32 HydrophobicContact CD1-CD1 3.98Å; L25-F37 HydrophobicContact CD1-CD2 3.74Å; L25-F37 HydrophobicContact CD1-CE2 4.04Å; L25-F37 HydrophobicContact CG-CD2 4.2Å; L25-F37 HydrophobicContact CG-CE2 3.97Å; L25-F37 WeakPolarHBondContact O-CE2 3.06Å; L25-R40 HydrophobicContact CD1-CB 4.02Å; L25-R40 HydrophobicContact CD2-CB 3.68Å; L25-F44 HydrophobicContact CD2-CD2 3.95Å; L25-F44 HydrophobicContact CD2-CE2 4.17Å; L25-L189 HydrophobicContact CD2-CD1 4.4Å; L25-L189 HydrophobicContact CD2-CD2 4.37Å
26R90.9Very high90.3Very high82 Ų8273.2 Ų73.231%0.30935%0.35SS..Hα-helixtrans-68.3-45.2178.3-178.1156.66588.6-1.9112.7S22 R23 L24 E185 L189 V192S22-R26 PolarHBondContact O-N 3.12Å; R23-R26 WeakPolarHBondContact O-CB 3.32Å; R23-R26 PolarHBondContact O-N 3.42Å; R23-R26 VanDerWaalsContact O-N 3.12Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.44Å; R26-E185 IonicContact CZ-OE1 3.17Å; R26-E185 IonicContact NE-OE1 3.1Å; R26-E185 PolarHBondContact NE-OE1 2.84Å; R26-E185 VanDerWaalsContact NE-OE1 3.1Å; R26-E185 IonicContact NH2-OE1 2.68Å; R26-E185 PolarHBondContact NH2-OE1 3.09Å; R26-E185 IonicContact NH2-OE2 3.71Å; R26-L189 HydrophobicContact CB-CD1 4.03Å; R26-V192 HydrophobicContact CG-CB 4.42Å; R26-V192 HydrophobicContact CG-CG1 4.35Å; R26-V192 HydrophobicContact CG-CG2 3.44Å; R26-V192 VanDerWaalsContact CG-CG2 3.44Å
27E90.7Very high90.7Very high103 Ų10370.7 Ų70.748%0.48133%0.332SS..Hα-helixtrans-78.8-41.3-177.3-68.7173.4-176.700112.7R23R23-E27 HydrophobicContact CG-CG 4.41Å; R23-E27 WeakPolarHBondContact CG-OE1 3.35Å; R23-E27 WeakPolarHBondContact O-CG 3.28Å; R23-E27 PolarHBondContact O-N 3.38Å
28N91.8Very high90.9Very high70 Ų7071.9 Ų71.937%0.37434%0.335SS..Hα-helixtrans-1135.4-171.4-63.8-48.4000113.9L24 R30 F31L24-N28 WeakPolarHBondContact O-CA 3.45Å; L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.23Å; N28-R30 PolarHBondContact O-N 3.28Å; N28-F31 HydrophobicContact CB-CD2 4.33Å; N28-F31 WeakPolarHBondContact O-CD2 3.25Å; N28-F31 PolarHBondContact O-N 2.85Å
29G87.8Confident91.1Very high1 Ų177.4 Ų77.41%0.0136%0.36CS..G310 helixtrans-60.4-16.7179.100000115L25 F31 L32 H194L25-G29 WeakPolarHBondContact O-CA 3.4Å; L25-G29 PolarHBondContact O-N 3.48Å; G29-F31 PolarHBondContact O-N 3.44Å; G29-L32 PolarHBondContact O-N 3.1Å; G29-H194 PolarHBondContact O-CE1 3.48Å; G29-H194 VanDerWaalsContact O-CE1 3.24Å; G29-H194 PolarHBondContact O-ND1 3.06Å
30R89.7Confident91.2Very high130 Ų13080.5 Ų80.549%0.49137%0.37SS..G310 helixtrans-63.1-19.8176.861.6-179177.6-174.1-4.2115.7N28 Q195 A197N28-R30 PolarHBondContact O-N 3.28Å; R30-Q195 VanDerWaalsContact CA-O 3.28Å; R30-Q195 WeakPolarHBondContact CA-O 3.43Å; R30-Q195 WeakPolarHBondContact CB-O 3.36Å; R30-A197 HydrophobicContact CB-CB 4.18Å; R30-A197 HydrophobicContact CG-CB 4.25Å; R30-A197 PolarHBondContact O-N 2.98Å
31F90.2Very high91.3Very high110 Ų11078.3 Ų78.348%0.48236%0.357SS..G310 helixtrans-89.4-13.1178.2-59.6-68.7000113.1N28 G29 A197N28-F31 HydrophobicContact CB-CD2 4.33Å; N28-F31 WeakPolarHBondContact O-CD2 3.25Å; N28-F31 PolarHBondContact O-N 2.85Å; G29-F31 PolarHBondContact O-N 3.44Å; F31-A197 HydrophobicContact CD1-CB 4.4Å; F31-A197 HydrophobicContact CE1-CB 4.37Å
32L91.1Very high91.3Very high50 Ų5077.9 Ų77.926%0.26236%0.356SS..SBendtrans-85.9154.4177.7-69.5165.1000110.4L25 G29 H194L25-L32 HydrophobicContact CD1-CD1 3.98Å; G29-L32 PolarHBondContact O-N 3.1Å; L32-H194 PolarHBondContact O-CE1 3.06Å; L32-H194 PolarHBondContact O-NE2 2.83Å
33P91.4Very high91.3Very high61 Ų6183.2 Ų83.240%0.39638%0.38SS..  trans-60.1143.8169.2-25.734.5000112.1K35 A36 F37 W196P33-K35 PolarHBondContact O-N 3.5Å; P33-K35 VanDerWaalsContact O-N 3.11Å; P33-A36 HydrophobicContact CB-CB 4.25Å; P33-A36 HydrophobicContact CG-CB 4.49Å; P33-A36 CarbonylContact O-C 3.6Å; P33-A36 WeakPolarHBondContact O-CA 3.34Å; P33-A36 WeakPolarHBondContact O-CB 3.41Å; P33-A36 PolarHBondContact O-N 3.42Å; P33-F37 PolarHBondContact O-N 2.9Å; P33-W196 VanDerWaalsContact CA-CH2 3.4Å; P33-W196 HydrophobicContact CB-CH2 3.51Å; P33-W196 HydrophobicContact CB-CZ2 4.47Å; P33-W196 HydrophobicContact CB-CZ3 3.65Å; P33-W196 HydrophobicContact CG-CH2 4.05Å
34A90.4Very high91.3Very high32 Ų3276.9 Ų76.926%0.26436%0.356SS..Hα-helixtrans-49.6-42179.900000113.2F37 K38 H194 W196A34-F37 PolarHBondContact O-N 3.12Å; A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 WeakPolarHBondContact O-CG 3.27Å; A34-K38 PolarHBondContact O-N 2.89Å; A34-H194 VanDerWaalsContact CA-CD2 3.47Å; A34-H194 WeakPolarHBondContact CA-CD2 3.33Å; A34-H194 VanDerWaalsContact CB-CD2 3.49Å; A34-H194 WeakPolarHBondContact CB-CD2 3.09Å; A34-H194 PolarHBondContact N-NE2 2.92Å; A34-W196 HydrophobicContact CB-CE3 3.93Å; A34-W196 HydrophobicContact CB-CZ3 4.14Å
35K93Very high91.2Very high173 Ų17373.2 Ų73.275%0.75234%0.337SS*.Hα-helixtrans-61.6-44175.6-173.8175.5-178.7177.60111.9P33 K38 M39P33-K35 PolarHBondContact O-N 3.5Å; P33-K35 VanDerWaalsContact O-N 3.11Å; K35-K38 PolarHBondContact O-N 3.12Å; K35-M39 WeakPolarHBondContact O-CG 3.46Å; K35-M39 PolarHBondContact O-N 3.45Å
36A92.9Very high91Very high29 Ų2973.8 Ų73.824%0.2434%0.34CS..Hα-helixtrans-72.9-31.4-178.100000112.2P33 R40P33-A36 HydrophobicContact CB-CB 4.25Å; P33-A36 HydrophobicContact CG-CB 4.49Å; P33-A36 CarbonylContact O-C 3.6Å; P33-A36 WeakPolarHBondContact O-CA 3.34Å; P33-A36 WeakPolarHBondContact O-CB 3.41Å; P33-A36 PolarHBondContact O-N 3.42Å; A36-R40 WeakPolarHBondContact O-CG 3.24Å; A36-R40 PolarHBondContact O-N 2.76Å; A36-R40 PolarHBondContact O-NH1 2.84Å
37F93.2Very high90.4Very high6 Ų676.3 Ų76.33%0.02635%0.353CS..Hα-helixtrans-67.1-51.1170.5177.6-95.3000110.9L25 P33 A34 M39 R40 K41 V192 H194L25-F37 HydrophobicContact CD1-CD2 3.74Å; L25-F37 HydrophobicContact CD1-CE2 4.04Å; L25-F37 HydrophobicContact CG-CD2 4.2Å; L25-F37 HydrophobicContact CG-CE2 3.97Å; L25-F37 WeakPolarHBondContact O-CE2 3.06Å; P33-F37 PolarHBondContact O-N 2.9Å; A34-F37 PolarHBondContact O-N 3.12Å; F37-M39 VanDerWaalsContact C-N 3.34Å; F37-M39 PolarHBondContact O-N 3Å; F37-R40 PolarHBondContact O-N 3.34Å; F37-R40 VanDerWaalsContact O-N 3.1Å; F37-K41 HydrophobicContact CE1-CB 4.44Å; F37-K41 HydrophobicContact CE1-CD 4.04Å; F37-K41 HydrophobicContact CZ-CD 4.46Å; F37-K41 PolarHBondContact O-N 3.39Å; F37-V192 HydrophobicContact CZ-CG1 3.97Å; F37-H194 HydrophobicContact CD1-CB 3.59Å; F37-H194 AromaticContact CD1-CG 4Å; F37-H194 AromaticContact CD1-ND1 3.91Å; F37-H194 HydrophobicContact CE1-CB 3.94Å; F37-H194 HydrophobicContact CG-CB 4.19Å; F37-H194 AromaticContact CG-ND1 3.57Å
38K91.7Very high89.8Confident145 Ų14578.9 Ų78.963%0.6337%0.365SS*.Hα-helixtrans-58.3-42.4179.3-75.3-178-179-176.60112.8A34 K35 R40 K41 Y42A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 WeakPolarHBondContact O-CG 3.27Å; A34-K38 PolarHBondContact O-N 2.89Å; K35-K38 PolarHBondContact O-N 3.12Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.08Å; K38-K41 PolarHBondContact O-N 3.5Å; K38-Y42 WeakPolarHBondContact O-CB 3.23Å; K38-Y42 PolarHBondContact O-N 3.13Å
39M92.8Very high89.2Confident131 Ų13182.3 Ų82.365%0.64538%0.379SS*.Hα-helixtrans-59.1-42.8175.1-77.5-72.9-6800112.6K35 F37 Y42 F43K35-M39 WeakPolarHBondContact O-CG 3.46Å; K35-M39 PolarHBondContact O-N 3.45Å; F37-M39 VanDerWaalsContact C-N 3.34Å; F37-M39 PolarHBondContact O-N 3Å; M39-Y42 PolarHBondContact O-N 3.08Å; M39-F43 PolarHBondContact O-N 2.87Å
40R92.7Very high88.8Confident94 Ų9482.3 Ų82.336%0.35538%0.378SS..Hα-helixtrans-73.4-38.9179-69.4178.8-177.697.3-8.6112L25 A36 F37 K38 Y42 F43 F44L25-R40 HydrophobicContact CD1-CB 4.02Å; L25-R40 HydrophobicContact CD2-CB 3.68Å; A36-R40 WeakPolarHBondContact O-CG 3.24Å; A36-R40 PolarHBondContact O-N 2.76Å; A36-R40 PolarHBondContact O-NH1 2.84Å; F37-R40 PolarHBondContact O-N 3.34Å; F37-R40 VanDerWaalsContact O-N 3.1Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.08Å; R40-Y42 VanDerWaalsContact C-N 3.29Å; R40-Y42 PolarHBondContact O-N 3.46Å; R40-F43 PolarHBondContact O-N 3.02Å; R40-F44 VanDerWaalsContact O-CD2 3.25Å; R40-F44 WeakPolarHBondContact O-CD2 3.5Å; R40-F44 PolarHBondContact O-N 3.16Å
41K91.2Very high88.6Confident41 Ų4177.9 Ų77.918%0.17836%0.363CS..Hα-helixtrans-59.3-43.5172.2-178.5172.1176.2172.90110.3F37 K38 F44 N45 L189 E190 V192F37-K41 HydrophobicContact CE1-CB 4.44Å; F37-K41 HydrophobicContact CE1-CD 4.04Å; F37-K41 HydrophobicContact CZ-CD 4.46Å; F37-K41 PolarHBondContact O-N 3.39Å; K38-K41 PolarHBondContact O-N 3.5Å; K41-F44 PolarHBondContact O-N 3.36Å; K41-N45 WeakPolarHBondContact O-CB 3.45Å; K41-N45 PolarHBondContact O-N 3.43Å; K41-L189 WeakPolarHBondContact CE-O 3.41Å; K41-L189 HydrophobicContact CG-CD2 4.42Å; K41-L189 HydrophobicContact CG-CG 4.31Å; K41-L189 PolarHBondContact NZ-O 3.26Å; K41-E190 PolarHBondContact NZ-O 3.39Å; K41-V192 PolarHBondContact NZ-O 3.02Å
42Y91.1Very high88.2Confident140 Ų14073.4 Ų73.455%0.54934%0.343SS..Hα-helixtrans-60.5-45.8175.4-173.4-103.2000112.2K38 M39 R40 F44 N45 D46K38-Y42 WeakPolarHBondContact O-CB 3.23Å; K38-Y42 PolarHBondContact O-N 3.13Å; M39-Y42 PolarHBondContact O-N 3.08Å; R40-Y42 VanDerWaalsContact C-N 3.29Å; R40-Y42 PolarHBondContact O-N 3.46Å; Y42-F44 VanDerWaalsContact C-N 3.25Å; Y42-F44 PolarHBondContact O-N 3.28Å; Y42-N45 PolarHBondContact O-N 2.92Å; Y42-D46 HydrophobicContact CD1-CB 4.47Å; Y42-D46 HydrophobicContact CD2-CB 4.12Å; Y42-D46 HydrophobicContact CE1-CB 4.21Å; Y42-D46 HydrophobicContact CE2-CB 3.81Å; Y42-D46 WeakPolarHBondContact CE2-OD1 3.46Å; Y42-D46 HydrophobicContact CG-CB 4.42Å; Y42-D46 VanDerWaalsContact CZ-OD1 3.27Å; Y42-D46 WeakPolarHBondContact O-CB 3.36Å; Y42-D46 PolarHBondContact O-N 3.39Å; Y42-D46 VanDerWaalsContact OH-CG 3.26Å; Y42-D46 PolarHBondContact OH-OD1 3.43Å; Y42-D46 VanDerWaalsContact OH-OD1 3.06Å; Y42-D46 PolarHBondContact OH-OD2 2.84Å
43F90.9Very high87.5Confident112 Ų11276.4 Ų76.449%0.49135%0.354SS..Hα-helixtrans-55.9-36.7176.4174.7-95.1000113.9M39 R40 G50 F51M39-F43 PolarHBondContact O-N 2.87Å; R40-F43 PolarHBondContact O-N 3.02Å; F43-G50 WeakPolarHBondContact O-CA 3.42Å; F43-F51 HydrophobicContact CE1-CB 4.22Å; F43-F51 PolarHBondContact O-N 3.41Å; F43-F51 VanDerWaalsContact O-N 3.16Å
44F90.6Very high86.7Confident6 Ų677.9 Ų77.93%0.02636%0.362CS..Hα-helixtrans-84.7-43.3178.7-74.4-64.9000113.2R21 L25 R40 K41 Y42 G50 F51 F52 L189R21-F44 HydrophobicContact CB-CZ 4.46Å; R21-F44 HydrophobicContact CG-CZ 4.1Å; L25-F44 HydrophobicContact CD2-CD2 3.95Å; L25-F44 HydrophobicContact CD2-CE2 4.17Å; R40-F44 VanDerWaalsContact O-CD2 3.25Å; R40-F44 WeakPolarHBondContact O-CD2 3.5Å; R40-F44 PolarHBondContact O-N 3.16Å; K41-F44 PolarHBondContact O-N 3.36Å; Y42-F44 VanDerWaalsContact C-N 3.25Å; Y42-F44 PolarHBondContact O-N 3.28Å; F44-G50 WeakPolarHBondContact O-CA 3.07Å; F44-F51 HydrophobicContact CD1-CB 4.17Å; F44-F52 HydrophobicContact CB-CD2 4.04Å; F44-F52 HydrophobicContact CB-CE2 3.79Å; F44-F52 HydrophobicContact CD1-CD2 4.35Å; F44-F52 HydrophobicContact CD1-CE1 4.29Å; F44-F52 AromaticContact CD1-CE2 3.77Å; F44-F52 HydrophobicContact CD1-CE2 3.77Å; F44-F52 AromaticContact CD1-CZ 3.74Å; F44-F52 HydrophobicContact CD1-CZ 3.74Å; F44-F52 HydrophobicContact CE1-CZ 4.27Å; F44-F52 HydrophobicContact CG-CE2 4.03Å; F44-F52 HydrophobicContact CG-CZ 4.38Å; F44-L189 HydrophobicContact CB-CD2 3.65Å; F44-L189 HydrophobicContact CD2-CD2 4.27Å; F44-L189 HydrophobicContact CG-CD2 4.28Å
45N88.7Confident85.8Confident10 Ų1079.6 Ų79.65%0.05337%0.365CS..Hα-helixtrans-101.3-1.5-168.6-85.236.2000115.7K41 Y42 K47 W186 L189 E190K41-N45 WeakPolarHBondContact O-CB 3.45Å; K41-N45 PolarHBondContact O-N 3.43Å; Y42-N45 PolarHBondContact O-N 2.92Å; N45-K47 PolarHBondContact O-N 3.16Å; N45-W186 PolarHBondContact ND2-O 3.01Å; N45-W186 PolarHBondContact O-NE1 2.88Å; N45-L189 WeakPolarHBondContact OD1-CD2 3.42Å; N45-E190 VanDerWaalsContact ND2-CA 3.34Å; N45-E190 WeakPolarHBondContact ND2-CA 3.14Å; N45-E190 PolarHBondContact ND2-N 2.92Å; N45-E190 PolarHBondContact ND2-OE2 3.39Å
46D87.3Confident84.6Confident23 Ų2379.5 Ų79.512%0.12336%0.364CS..  trans-55.7138.6179.9-177.550.4000112Y42 E48 H49 G50Y42-D46 HydrophobicContact CD1-CB 4.47Å; Y42-D46 HydrophobicContact CD2-CB 4.12Å; Y42-D46 HydrophobicContact CE1-CB 4.21Å; Y42-D46 HydrophobicContact CE2-CB 3.81Å; Y42-D46 WeakPolarHBondContact CE2-OD1 3.46Å; Y42-D46 HydrophobicContact CG-CB 4.42Å; Y42-D46 VanDerWaalsContact CZ-OD1 3.27Å; Y42-D46 WeakPolarHBondContact O-CB 3.36Å; Y42-D46 PolarHBondContact O-N 3.39Å; Y42-D46 VanDerWaalsContact OH-CG 3.26Å; Y42-D46 PolarHBondContact OH-OD1 3.43Å; Y42-D46 VanDerWaalsContact OH-OD1 3.06Å; Y42-D46 PolarHBondContact OH-OD2 2.84Å; D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.1Å; D46-E48 PolarHBondContact OD2-N 3.21Å; D46-H49 WeakPolarHBondContact OD2-CB 3.48Å; D46-H49 IonicContact OD2-CD2 3.83Å; D46-H49 IonicContact OD2-CG 3.95Å; D46-H49 PolarHBondContact OD2-N 2.97Å; D46-G50 VanDerWaalsContact O-CA 3.24Å; D46-G50 WeakPolarHBondContact O-CA 3.3Å; D46-G50 PolarHBondContact O-N 3.38Å
47K79.3Confident83.4Confident136 Ų13679.8 Ų79.859%0.59136%0.359SS*.THydrogen-bonded Turntrans-73.3-19.1-170.6-70.4-177.5-178.4177.60112.6N45 K53N45-K47 PolarHBondContact O-N 3.16Å; K47-K53 WeakPolarHBondContact O-CD 3.34Å; K47-K53 WeakPolarHBondContact O-CE 3.34Å; K47-K53 PolarHBondContact O-NZ 3.27Å
48E77Confident81.6Confident156 Ų15688.6 Ų88.673%0.72940%0.4SS*.THydrogen-bonded Turntrans-113.8-42.1-178.8-63.4-170.8162.100111.6D46D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.1Å; D46-E48 PolarHBondContact OD2-N 3.21Å
49H80.2Confident79.7Confident143 Ų14383.9 Ų83.966%0.66239%0.386SS*.THydrogen-bonded Turntrans-116.19.5-174.3-57.7-59.1000114.5D46D46-H49 WeakPolarHBondContact OD2-CB 3.48Å; D46-H49 IonicContact OD2-CD2 3.83Å; D46-H49 IonicContact OD2-CG 3.95Å; D46-H49 PolarHBondContact OD2-N 2.97Å
50G80.3Confident77.8Confident0 Ų081.7 Ų81.70%038%0.381CS..  trans-67.7132.8179.500000112F43 F44 D46 F52 K53 T54F43-G50 WeakPolarHBondContact O-CA 3.42Å; F44-G50 WeakPolarHBondContact O-CA 3.07Å; D46-G50 VanDerWaalsContact O-CA 3.24Å; D46-G50 WeakPolarHBondContact O-CA 3.3Å; D46-G50 PolarHBondContact O-N 3.38Å; G50-F52 PolarHBondContact O-N 3.27Å; G50-F52 VanDerWaalsContact O-N 3.11Å; G50-K53 PolarHBondContact O-N 3.37Å; G50-T54 PolarHBondContact O-N 3.19Å; G50-T54 PolarHBondContact O-OG1 2.79Å; G50-T54 VanDerWaalsContact O-OG1 3.12Å
51F84.8Confident75.6Confident38 Ų3884.4 Ų84.417%0.16740%0.4CS..Hα-helixtrans-48.7-44-177.8-178-91.1000112.9A18 F43 F44 K53 Q55 F182A18-F51 HydrophobicContact CB-CD1 4.23Å; A18-F51 HydrophobicContact CB-CE1 3.49Å; A18-F51 VanDerWaalsContact CB-CE1 3.49Å; A18-F51 HydrophobicContact CB-CZ 3.8Å; F43-F51 HydrophobicContact CE1-CB 4.22Å; F43-F51 PolarHBondContact O-N 3.41Å; F43-F51 VanDerWaalsContact O-N 3.16Å; F44-F51 HydrophobicContact CD1-CB 4.17Å; F51-K53 PolarHBondContact O-N 3.08Å; F51-Q55 HydrophobicContact CD2-CG 4.31Å; F51-Q55 HydrophobicContact CE2-CG 4.04Å; F51-Q55 VanDerWaalsContact CE2-NE2 3.26Å; F51-Q55 HydrophobicContact CZ-CG 4.19Å; F51-Q55 PolarHBondContact O-N 2.84Å; F51-Q55 VanDerWaalsContact O-N 3.16Å; F51-F182 HydrophobicContact CE1-CE1 4.06Å; F51-F182 AromaticContact CE1-CZ 3.97Å; F51-F182 HydrophobicContact CE1-CZ 3.97Å
52F82.1Confident73.3Confident15 Ų1588.2 Ų88.27%0.06642%0.422CS..Hα-helixtrans-69.6-16.4-178.2-63.9-41.6000114.9L19 F44 G50 F182 E185 W186L19-F52 HydrophobicContact CD2-CE1 4.18Å; F44-F52 HydrophobicContact CB-CD2 4.04Å; F44-F52 HydrophobicContact CB-CE2 3.79Å; F44-F52 HydrophobicContact CD1-CD2 4.35Å; F44-F52 HydrophobicContact CD1-CE1 4.29Å; F44-F52 AromaticContact CD1-CE2 3.77Å; F44-F52 HydrophobicContact CD1-CE2 3.77Å; F44-F52 AromaticContact CD1-CZ 3.74Å; F44-F52 HydrophobicContact CD1-CZ 3.74Å; F44-F52 HydrophobicContact CE1-CZ 4.27Å; F44-F52 HydrophobicContact CG-CE2 4.03Å; F44-F52 HydrophobicContact CG-CZ 4.38Å; G50-F52 PolarHBondContact O-N 3.27Å; G50-F52 VanDerWaalsContact O-N 3.11Å; F52-F182 HydrophobicContact CB-CB 4.22Å; F52-F182 HydrophobicContact CD1-CB 3.97Å; F52-F182 AromaticContact CD1-CD1 3.37Å; F52-F182 HydrophobicContact CD1-CD1 3.37Å; F52-F182 AromaticContact CD1-CE1 3.99Å; F52-F182 HydrophobicContact CD1-CE1 3.99Å; F52-F182 AromaticContact CD1-CG 3.85Å; F52-F182 HydrophobicContact CD1-CG 3.85Å; F52-F182 AromaticContact CE1-CD1 3.61Å; F52-F182 HydrophobicContact CE1-CD1 3.61Å; F52-F182 HydrophobicContact CE1-CE1 4.01Å; F52-F182 HydrophobicContact CE1-CG 4.5Å; F52-F182 HydrophobicContact CG-CB 4.42Å; F52-E185 HydrophobicContact CE2-CB 4.4Å; F52-E185 HydrophobicContact CE2-CG 4.33Å; F52-E185 HydrophobicContact CZ-CB 4.3Å; F52-E185 HydrophobicContact CZ-CG 4.16Å; F52-W186 HydrophobicContact CB-CB 4.14Å; F52-W186 HydrophobicContact CD2-CB 4.07Å; F52-W186 HydrophobicContact CG-CB 4.46Å
53K75.3Confident71.2Confident114 Ų11486.7 Ų86.750%0.49642%0.424SS..Hα-helixtrans-102.9-35.1-178.8-146-174.3-179.6-175.40112.1K47 G50 F51K47-K53 WeakPolarHBondContact O-CD 3.34Å; K47-K53 WeakPolarHBondContact O-CE 3.34Å; K47-K53 PolarHBondContact O-NZ 3.27Å; G50-K53 PolarHBondContact O-N 3.37Å; F51-K53 PolarHBondContact O-N 3.08Å
54T75.5Confident69.1Low91 Ų9185 Ų8556%0.55842%0.423SS*.Hα-helixtrans-76.6-36.1179.8-43.40000111.9G50 K56G50-T54 PolarHBondContact O-N 3.19Å; G50-T54 PolarHBondContact O-OG1 2.79Å; G50-T54 VanDerWaalsContact O-OG1 3.12Å; T54-K56 PolarHBondContact O-N 3.39Å; T54-K56 VanDerWaalsContact O-N 3.12Å
55Q70.9Confident67.2Low69 Ų6992.8 Ų92.832%0.32246%0.462SS..  trans-85.284.2178.2-65.3-141.42.400111.6D15 F51 R57 F182D15-Q55 PolarHBondContact OD1-OE1 2.83Å; F51-Q55 HydrophobicContact CD2-CG 4.31Å; F51-Q55 HydrophobicContact CE2-CG 4.04Å; F51-Q55 VanDerWaalsContact CE2-NE2 3.26Å; F51-Q55 HydrophobicContact CZ-CG 4.19Å; F51-Q55 PolarHBondContact O-N 2.84Å; F51-Q55 VanDerWaalsContact O-N 3.16Å; Q55-R57 PolarHBondContact O-N 2.78Å; Q55-F182 HydrophobicContact CB-CE2 4.4Å
56K67.6Low65.5Low171 Ų17194.6 Ų94.674%0.74348%0.478SS*.  trans-81.2105.3165.1-72.8-175.5-177.9178.50108.7T54T54-K56 PolarHBondContact O-N 3.39Å; T54-K56 VanDerWaalsContact O-N 3.12Å
57R68.8Low63.9Low35 Ų3597.6 Ų97.613%0.13250%0.495CS..  trans-82.3138.1168-61.3-66.1-178.4109.6-6.8108.3E11 D15 Q55 S59 M178 Q179 F182E11-R57 VanDerWaalsContact C-NH1 3.3Å; E11-R57 VanDerWaalsContact CD-NH1 3.29Å; E11-R57 VanDerWaalsContact CG-CZ 3.44Å; E11-R57 PolarHBondContact O-NH1 3Å; E11-R57 PolarHBondContact O-NH2 3.35Å; E11-R57 VanDerWaalsContact OE1-CD 3.25Å; E11-R57 WeakPolarHBondContact OE1-CD 3.39Å; E11-R57 IonicContact OE1-CZ 2.73Å; E11-R57 IonicContact OE1-NE 3.12Å; E11-R57 PolarHBondContact OE1-NE 2.94Å; E11-R57 VanDerWaalsContact OE1-NE 3.17Å; E11-R57 IonicContact OE1-NH1 2.73Å; E11-R57 PolarHBondContact OE1-NH1 3.46Å; E11-R57 IonicContact OE1-NH2 3.05Å; D15-R57 IonicContact OD1-CZ 3.53Å; D15-R57 IonicContact OD1-NE 2.89Å; D15-R57 IonicContact OD1-NH1 3.7Å; D15-R57 IonicContact OD1-NH2 3.36Å; D15-R57 PolarHBondContact OD1-NH2 3.22Å; D15-R57 IonicContact OD2-CZ 3.18Å; D15-R57 IonicContact OD2-NE 3.67Å; D15-R57 PolarHBondContact OD2-NE 3.47Å; D15-R57 VanDerWaalsContact OD2-NE 3.12Å; D15-R57 IonicContact OD2-NH1 3.83Å; D15-R57 PolarHBondContact OD2-NH1 3.22Å; D15-R57 IonicContact OD2-NH2 2.62Å; D15-R57 PolarHBondContact OD2-NH2 2.62Å; Q55-R57 PolarHBondContact O-N 2.78Å; R57-S59 PolarHBondContact O-N 3.47Å; R57-M178 HydrophobicContact CB-CB 4.29Å; R57-M178 HydrophobicContact CG-CB 4.35Å; R57-Q179 PolarHBondContact O-NE2 2.94Å; R57-Q179 PolarHBondContact O-OE1 3.32Å; R57-F182 HydrophobicContact CG-CE2 4.21Å
58E55Low62.9Low190 Ų19095.3 Ų95.389%0.88849%0.493SS*.  trans-65.1114.3168.5-73.8-168.1161.300107P60E58-P60 WeakPolarHBondContact O-CD 3.16Å
59S52.3Low62.4Low46 Ų4690.3 Ų90.332%0.32248%0.476SS..  trans-62.4118.3173.8-57.60000106R57 M61 D177R57-S59 PolarHBondContact O-N 3.47Å; S59-M61 PolarHBondContact O-N 3.05Å; S59-D177 WeakPolarHBondContact CB-OD1 3.47Å
60P52.7Low61.3Low85 Ų8588.3 Ų88.355%0.55247%0.468SS*.  trans-70.976.3162.132.1-30000104.9E58 N62E58-P60 WeakPolarHBondContact O-CD 3.16Å; P60-N62 PolarHBondContact O-N 3.48Å
61M45.4Very low60.6Low151 Ų15190.6 Ų90.674%0.74449%0.487SS*.  trans-72.941.1167.8-1601696600108.5S59S59-M61 PolarHBondContact O-N 3.05Å
62N44.5Very low59.9Low121 Ų12192.7 Ų92.765%0.64750%0.503SS*.SBendtrans-89102.9154.6-117.97.1000104.7P60 A66P60-N62 PolarHBondContact O-N 3.48Å; N62-A66 HydrophobicContact CB-CB 4.34Å
63N45.3Very low59.2Low109 Ų10996.2 Ų96.258%0.58352%0.519SS*.  trans-24.7132.1169.5-148.418.1000110.8M65 A66N63-M65 PolarHBondContact O-N 3.39Å; N63-A66 HydrophobicContact CB-CB 4.27Å; N63-A66 WeakPolarHBondContact O-CA 3.48Å; N63-A66 VanDerWaalsContact O-CB 3.27Å; N63-A66 WeakPolarHBondContact O-CB 3.49Å; N63-A66 PolarHBondContact O-N 2.98Å
64P47.8Very low58.7Low75 Ų7595.3 Ų95.349%0.48752%0.518SS..THydrogen-bonded Turntrans-58.1-5.8176.621.9-33.5000114.1A174P64-A174 HydrophobicContact CB-CB 3.89Å; P64-A174 HydrophobicContact CG-CB 3.78Å
65M50.9Low58.4Low171 Ų17196.6 Ų96.684%0.84252%0.521SS*.THydrogen-bonded Turntrans-91.7-13.5171.8-154.9146.7175.600114.2N63N63-M65 PolarHBondContact O-N 3.39Å
66A52.7Low58.3Low47 Ų47102 Ų10239%0.38854%0.538SS..THydrogen-bonded Turntrans-86.1-15.5178.200000112.8N62 N63 P68N62-A66 HydrophobicContact CB-CB 4.34Å; N63-A66 HydrophobicContact CB-CB 4.27Å; N63-A66 WeakPolarHBondContact O-CA 3.48Å; N63-A66 VanDerWaalsContact O-CB 3.27Å; N63-A66 WeakPolarHBondContact O-CB 3.49Å; N63-A66 PolarHBondContact O-N 2.98Å; A66-P68 VanDerWaalsContact C-CD 3.41Å; A66-P68 WeakPolarHBondContact O-CD 3.11Å
67D54.2Low58.2Low87 Ų8797.3 Ų97.347%0.46553%0.527SS..  trans-104.983.1175.4-142.2-25.5000110.1S69 M70D67-S69 PolarHBondContact O-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 3.39Å; D67-M70 PolarHBondContact O-N 2.95Å
68P57.9Low58.3Low87 Ų8799.5 Ų99.557%0.56554%0.541SS*.Hα-helixtrans-58.1-18.4-178.921.9-32.3000112.3A66 T72A66-P68 VanDerWaalsContact C-CD 3.41Å; A66-P68 WeakPolarHBondContact O-CD 3.11Å; P68-T72 VanDerWaalsContact O-CB 3.26Å; P68-T72 WeakPolarHBondContact O-CB 3.26Å; P68-T72 WeakPolarHBondContact O-CG2 3.48Å; P68-T72 PolarHBondContact O-N 3.02Å; P68-T72 PolarHBondContact O-OG1 3.11Å
69S66.3Low59.2Low51 Ų5192.2 Ų92.236%0.35751%0.513SS..Hα-helixtrans-63.4-44.7177.768.30000113.3D67 T72 E73D67-S69 PolarHBondContact O-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 3.39Å; S69-T72 WeakPolarHBondContact CA-OG1 3.43Å; S69-T72 PolarHBondContact O-OG1 3.25Å; S69-E73 WeakPolarHBondContact O-CB 3.38Å; S69-E73 VanDerWaalsContact O-CG 3.31Å; S69-E73 WeakPolarHBondContact O-CG 3.32Å; S69-E73 PolarHBondContact O-N 3.12Å
70M58.2Low60.4Low102 Ų10295.5 Ų95.550%0.50253%0.527SS..Hα-helixtrans-71.1-43.8-179.8-87.2-77.5-178.700112.1D67 E73 M74D67-M70 PolarHBondContact O-N 2.95Å; M70-E73 PolarHBondContact O-N 3.02Å; M70-M74 PolarHBondContact O-N 3.38Å
71A65.1Low61.4Low48 Ų4895 Ų9540%0.39752%0.52SS..Hα-helixtrans-64.7-41.3175.600000111.3L75A71-L75 VanDerWaalsContact O-CB 3.28Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 3.11Å; A71-L75 PolarHBondContact O-N 2.59Å
72T70.5Confident62.8Low81 Ų8193.1 Ų93.150%0.49751%0.51SS..Hα-helixtrans-66.9-35.4175.144.70000112.3P68 S69 L75 R76P68-T72 VanDerWaalsContact O-CB 3.26Å; P68-T72 WeakPolarHBondContact O-CB 3.26Å; P68-T72 WeakPolarHBondContact O-CG2 3.48Å; P68-T72 PolarHBondContact O-N 3.02Å; P68-T72 PolarHBondContact O-OG1 3.11Å; S69-T72 WeakPolarHBondContact CA-OG1 3.43Å; S69-T72 PolarHBondContact O-OG1 3.25Å; T72-L75 PolarHBondContact O-N 3.34Å; T72-R76 WeakPolarHBondContact O-CA 3.44Å; T72-R76 WeakPolarHBondContact O-CB 3.47Å; T72-R76 PolarHBondContact O-N 2.89Å
73E66.4Low64.6Low89 Ų8990.9 Ų90.942%0.41650%0.501SS..Hα-helixtrans-68-41.8176.3-80.6177.2177.700113.2K6 S69 M70 R76 S77K6-E73 WeakPolarHBondContact CE-OE2 3.49Å; K6-E73 IonicContact NZ-OE1 2.57Å; K6-E73 IonicContact NZ-OE2 2.76Å; K6-E73 PolarHBondContact NZ-OE2 2.95Å; S69-E73 WeakPolarHBondContact O-CB 3.38Å; S69-E73 VanDerWaalsContact O-CG 3.31Å; S69-E73 WeakPolarHBondContact O-CG 3.32Å; S69-E73 PolarHBondContact O-N 3.12Å; M70-E73 PolarHBondContact O-N 3.02Å; E73-R76 PolarHBondContact O-N 2.9Å; E73-S77 WeakPolarHBondContact O-CB 2.92Å; E73-S77 PolarHBondContact O-N 3.33Å
74M64.4Low66.4Low95 Ų9588.9 Ų88.947%0.46849%0.494SS..Hα-helixtrans-64.1-45.9172.6-92.4-174150.500111.7M70 R76 S77 N78 P172M70-M74 PolarHBondContact O-N 3.38Å; M74-R76 VanDerWaalsContact C-N 3.29Å; M74-R76 PolarHBondContact O-N 3.08Å; M74-S77 PolarHBondContact O-N 3.23Å; M74-N78 PolarHBondContact O-N 2.71Å; M74-P172 HydrophobicContact CE-CB 4.2Å; M74-P172 HydrophobicContact CE-CG 4.45Å; M74-P172 HydrophobicContact SD-CB 3.97Å; M74-P172 HydrophobicContact SD-CG 3.8Å
75L70.2Confident68Low118 Ų11888.9 Ų88.962%0.61849%0.488SS*.Hα-helixtrans-61.1-40.2175-78.3169.2000111.5A71 T72 N78 A79A71-L75 VanDerWaalsContact O-CB 3.28Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 3.11Å; A71-L75 PolarHBondContact O-N 2.59Å; T72-L75 PolarHBondContact O-N 3.34Å; L75-N78 PolarHBondContact O-N 3.13Å; L75-A79 WeakPolarHBondContact O-CA 3.35Å; L75-A79 WeakPolarHBondContact O-CB 3.27Å; L75-A79 PolarHBondContact O-N 3.47Å
76R68.2Low69.5Low184 Ų18484.5 Ų84.569%0.69447%0.467SS*.Hα-helixtrans-67.9-41.1178.5-163.8176.8-158.1170.24.6110.5T72 E73 M74 A79 L80T72-R76 WeakPolarHBondContact O-CA 3.44Å; T72-R76 WeakPolarHBondContact O-CB 3.47Å; T72-R76 PolarHBondContact O-N 2.89Å; E73-R76 PolarHBondContact O-N 2.9Å; M74-R76 VanDerWaalsContact C-N 3.29Å; M74-R76 PolarHBondContact O-N 3.08Å; R76-A79 PolarHBondContact O-N 2.99Å; R76-L80 HydrophobicContact CG-CD1 4.4Å; R76-L80 WeakPolarHBondContact O-CB 3.46Å; R76-L80 WeakPolarHBondContact O-CD1 3.44Å; R76-L80 WeakPolarHBondContact O-CG 3.43Å; R76-L80 PolarHBondContact O-N 3.37Å
77S65.9Low71.2Confident72 Ų7286.6 Ų86.650%0.50348%0.475SS..Hα-helixtrans-60.5-49.5174.1-171.60000111.7E73 M74 L80E73-S77 WeakPolarHBondContact O-CB 2.92Å; E73-S77 PolarHBondContact O-N 3.33Å; M74-S77 PolarHBondContact O-N 3.23Å; S77-L80 PolarHBondContact O-N 3.15Å
78N70.1Confident72.8Confident80 Ų8086.5 Ų86.543%0.42847%0.474SS..Hα-helixtrans-65.9-40.3176.6-87.5-17.2000112.7M74 L75 L80 N81 M82 I163M74-N78 PolarHBondContact O-N 2.71Å; L75-N78 PolarHBondContact O-N 3.13Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 3.35Å; N78-N81 PolarHBondContact O-N 3.26Å; N78-M82 PolarHBondContact O-N 2.88Å; N78-M82 VanDerWaalsContact O-N 3.09Å; N78-I163 WeakPolarHBondContact OD1-CD1 3.43Å
79A74.5Confident73.9Confident37 Ų3782.6 Ų82.631%0.30645%0.449SS..Hα-helixtrans-65.3-37.3177.400000111.5L75 R76 N81 M82 V83L75-A79 WeakPolarHBondContact O-CA 3.35Å; L75-A79 WeakPolarHBondContact O-CB 3.27Å; L75-A79 PolarHBondContact O-N 3.47Å; R76-A79 PolarHBondContact O-N 2.99Å; A79-N81 PolarHBondContact O-N 3.36Å; A79-M82 PolarHBondContact O-N 3.44Å; A79-M82 VanDerWaalsContact O-N 3.16Å; A79-V83 HydrophobicContact CB-CG2 4.19Å; A79-V83 WeakPolarHBondContact O-CB 3.25Å; A79-V83 WeakPolarHBondContact O-CG2 3.42Å; A79-V83 PolarHBondContact O-N 3.43Å
80L76.9Confident74.8Confident115 Ų11583.7 Ų83.760%0.60246%0.457SS*.Hα-helixtrans-61.1-28.9177.3-76.9167.7000112.7R76 S77 N78 P84R76-L80 HydrophobicContact CG-CD1 4.4Å; R76-L80 WeakPolarHBondContact O-CB 3.46Å; R76-L80 WeakPolarHBondContact O-CD1 3.44Å; R76-L80 WeakPolarHBondContact O-CG 3.43Å; R76-L80 PolarHBondContact O-N 3.37Å; S77-L80 PolarHBondContact O-N 3.15Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 3.35Å; L80-P84 WeakPolarHBondContact O-CD 3.41Å; L80-P84 VanDerWaalsContact O-CG 3.28Å; L80-P84 WeakPolarHBondContact O-CG 3.26Å
81N73.5Confident76.2Confident75 Ų7586.7 Ų86.740%0.40146%0.463SS..Hα-helixtrans-83.8-35.3174.3-72.1-24.4000113N78 A79 N160N78-N81 PolarHBondContact O-N 3.26Å; A79-N81 PolarHBondContact O-N 3.36Å; N81-N160 PolarHBondContact ND2-OD1 3.29Å
82M75.6Confident77.1Confident111 Ų11186 Ų8655%0.54745%0.452SS..Hα-helixtrans-84.6-36.5-176.3-169.517975.700113.6N78 A79 M85 I86N78-M82 PolarHBondContact O-N 2.88Å; N78-M82 VanDerWaalsContact O-N 3.09Å; A79-M82 PolarHBondContact O-N 3.44Å; A79-M82 VanDerWaalsContact O-N 3.16Å; M82-M85 WeakPolarHBondContact O-CB 3.42Å; M82-M85 PolarHBondContact O-N 3.47Å; M82-M85 VanDerWaalsContact O-N 3.14Å; M82-I86 HydrophobicContact CE-CD1 3.69Å; M82-I86 HydrophobicContact CG-CD1 3.7Å; M82-I86 HydrophobicContact CG-CG1 4.17Å; M82-I86 PolarHBondContact O-N 3.34Å; M82-I86 HydrophobicContact SD-CD1 3.98Å
83V83.1Confident77.5Confident75 Ų7584.4 Ų84.446%0.45544%0.44SS..Hα-helixtrans-58.6-48.7-175.7166.70000111.7A79 M85 I86 V87A79-V83 HydrophobicContact CB-CG2 4.19Å; A79-V83 WeakPolarHBondContact O-CB 3.25Å; A79-V83 WeakPolarHBondContact O-CG2 3.42Å; A79-V83 PolarHBondContact O-N 3.43Å; V83-M85 PolarHBondContact O-N 3.01Å; V83-I86 PolarHBondContact O-N 2.95Å; V83-V87 HydrophobicContact CG1-CG2 4.01Å; V83-V87 WeakPolarHBondContact O-CB 3.28Å; V83-V87 VanDerWaalsContact O-CG2 3.24Å; V83-V87 WeakPolarHBondContact O-CG2 3.19Å; V83-V87 PolarHBondContact O-N 3.13Å
84P82.2Confident78.3Confident66 Ų6689.2 Ų89.243%0.42946%0.455SS..Hα-helixtrans-58-39.7177.9-24.134.6000111.9L80 V87 I88L80-P84 WeakPolarHBondContact O-CD 3.41Å; L80-P84 VanDerWaalsContact O-CG 3.28Å; L80-P84 WeakPolarHBondContact O-CG 3.26Å; P84-V87 PolarHBondContact O-N 3.07Å; P84-I88 WeakPolarHBondContact O-CB 3.41Å; P84-I88 WeakPolarHBondContact O-CD1 3.17Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 3.27Å
85M81.5Confident79.2Confident75 Ų7587 Ų8737%0.36945%0.452SS..Hα-helixtrans-65.3-42.6-178.5-164.5178.1-9600112.2M82 V83 G89 Y137 I141M82-M85 WeakPolarHBondContact O-CB 3.42Å; M82-M85 PolarHBondContact O-N 3.47Å; M82-M85 VanDerWaalsContact O-N 3.14Å; V83-M85 PolarHBondContact O-N 3.01Å; M85-G89 PolarHBondContact O-N 2.68Å; M85-Y137 WeakPolarHBondContact O-CE1 3.39Å; M85-Y137 PolarHBondContact O-OH 3.25Å; M85-I141 HydrophobicContact CE-CB 4.18Å; M85-I141 HydrophobicContact CE-CD1 4.05Å; M85-I141 HydrophobicContact CE-CG1 3.95Å; M85-I141 HydrophobicContact CE-CG2 3.2Å; M85-I141 HydrophobicContact CG-CD1 3.43Å; M85-I141 VanDerWaalsContact CG-CD1 3.43Å; M85-I141 HydrophobicContact CG-CG1 4.31Å; M85-I141 HydrophobicContact SD-CD1 3.84Å; M85-I141 HydrophobicContact SD-CG1 4.36Å; M85-I141 HydrophobicContact SD-CG2 3.55Å; M85-I141 VanDerWaalsContact SD-CG2 3.55Å
86I82.9Confident79.6Confident80 Ų8087.3 Ų87.341%0.4145%0.448SS..Hα-helixtrans-71.7-40.1177.2-66.6175.8000111.6M82 V83 G89 S90M82-I86 HydrophobicContact CE-CD1 3.69Å; M82-I86 HydrophobicContact CG-CD1 3.7Å; M82-I86 HydrophobicContact CG-CG1 4.17Å; M82-I86 PolarHBondContact O-N 3.34Å; M82-I86 HydrophobicContact SD-CD1 3.98Å; V83-I86 PolarHBondContact O-N 2.95Å; I86-G89 PolarHBondContact O-N 3.17Å; I86-S90 WeakPolarHBondContact O-CB 3.43Å; I86-S90 PolarHBondContact O-N 3.48Å; I86-S90 PolarHBondContact O-OG 3Å
87V88.3Confident80Confident91 Ų9181 Ų8155%0.55243%0.432SS*.Hα-helixtrans-64-47.1179.2170.10000110.2V83 P84 G89 S90 W91V83-V87 HydrophobicContact CG1-CG2 4.01Å; V83-V87 WeakPolarHBondContact O-CB 3.28Å; V83-V87 VanDerWaalsContact O-CG2 3.24Å; V83-V87 WeakPolarHBondContact O-CG2 3.19Å; V83-V87 PolarHBondContact O-N 3.13Å; P84-V87 PolarHBondContact O-N 3.07Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 2.8Å; V87-S90 PolarHBondContact O-N 2.88Å; V87-W91 WeakPolarHBondContact O-CB 3.18Å; V87-W91 PolarHBondContact O-N 3.4Å
88I86.2Confident80.3Confident85 Ų8579.7 Ų79.744%0.43643%0.43SS..Hα-helixtrans-63.9-41.2176.3-65.8165.9000110.5P84 S90 W91 I92 Y137P84-I88 WeakPolarHBondContact O-CB 3.41Å; P84-I88 WeakPolarHBondContact O-CD1 3.17Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 3.27Å; I88-S90 PolarHBondContact O-N 3.03Å; I88-W91 WeakPolarHBondContact O-CB 3Å; I88-W91 PolarHBondContact O-N 3.15Å; I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.38Å; I88-I92 VanDerWaalsContact O-CG1 3.29Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 2.93Å; I88-Y137 WeakPolarHBondContact CB-OH 3.32Å; I88-Y137 HydrophobicContact CG2-CE2 3.69Å
89G82.7Confident80.5Confident5 Ų583.2 Ų83.25%0.05244%0.442CS..Hα-helixtrans-61.6-41.9175.900000113.2M85 I86 V87 I92 N93M85-G89 PolarHBondContact O-N 2.68Å; I86-G89 PolarHBondContact O-N 3.17Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 2.8Å; G89-I92 PolarHBondContact O-N 3.2Å; G89-N93 PolarHBondContact O-N 2.73Å
90S84.4Confident80.5Confident73 Ų7384.2 Ų84.251%0.5144%0.442SS..Hα-helixtrans-65.3-40.5174.7-59.50000111.7I86 V87 I88 N93 W94I86-S90 WeakPolarHBondContact O-CB 3.43Å; I86-S90 PolarHBondContact O-N 3.48Å; I86-S90 PolarHBondContact O-OG 3Å; V87-S90 PolarHBondContact O-N 2.88Å; I88-S90 PolarHBondContact O-N 3.03Å; S90-N93 PolarHBondContact O-N 3.23Å; S90-W94 PolarHBondContact O-N 3.12Å
91W87.3Confident80.6Confident166 Ų16682.6 Ų82.663%0.62944%0.437SS*.Hα-helixtrans-62.9-45.1175.8-178.8-89000112.1V87 I88 N93 W94 A95V87-W91 WeakPolarHBondContact O-CB 3.18Å; V87-W91 PolarHBondContact O-N 3.4Å; I88-W91 WeakPolarHBondContact O-CB 3Å; I88-W91 PolarHBondContact O-N 3.15Å; W91-N93 VanDerWaalsContact C-N 3.33Å; W91-N93 PolarHBondContact O-N 3.03Å; W91-W94 HydrophobicContact CH2-CZ3 4.23Å; W91-W94 HydrophobicContact CZ3-CZ3 4.4Å; W91-W94 PolarHBondContact O-N 3.05Å; W91-A95 WeakPolarHBondContact O-CB 3.29Å; W91-A95 PolarHBondContact O-N 2.8Å
92I83.4Confident81.1Confident33 Ų3381.3 Ų81.317%0.16943%0.432CS..Hα-helixtrans-62.9-41.9177-68.4165.8000110.5I88 G89 W94 F96 Y137I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.38Å; I88-I92 VanDerWaalsContact O-CG1 3.29Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 2.93Å; G89-I92 PolarHBondContact O-N 3.2Å; I92-W94 VanDerWaalsContact C-N 3.31Å; I92-W94 PolarHBondContact O-N 3.16Å; I92-F96 HydrophobicContact CG2-CD2 4.31Å; I92-F96 WeakPolarHBondContact O-CB 3.3Å; I92-F96 PolarHBondContact O-N 3.26Å; I92-Y137 HydrophobicContact CD1-CD1 4.21Å; I92-Y137 HydrophobicContact CD1-CD2 3.37Å; I92-Y137 HydrophobicContact CD1-CE2 3.84Å; I92-Y137 HydrophobicContact CD1-CG 3.56Å
93N80.4Confident81.4Confident48 Ų4881.6 Ų81.626%0.25743%0.43SS..Hα-helixtrans-61.6-40.4177.1-169.8-74.7000111.7G89 S90 W91 S97 A134G89-N93 PolarHBondContact O-N 2.73Å; S90-N93 PolarHBondContact O-N 3.23Å; W91-N93 VanDerWaalsContact C-N 3.33Å; W91-N93 PolarHBondContact O-N 3.03Å; N93-S97 WeakPolarHBondContact O-CA 3.44Å; N93-S97 WeakPolarHBondContact O-CB 3.2Å; N93-S97 PolarHBondContact O-N 3.39Å; N93-S97 PolarHBondContact O-OG 3.12Å; N93-A134 HydrophobicContact CB-CB 4.11Å
94W82Confident81.4Confident189 Ų18978.5 Ų78.572%0.71641%0.411SS*.Hα-helixtrans-71.7-47.2177.9-178.674.3000112.7S90 W91 I92S90-W94 PolarHBondContact O-N 3.12Å; W91-W94 HydrophobicContact CH2-CZ3 4.23Å; W91-W94 HydrophobicContact CZ3-CZ3 4.4Å; W91-W94 PolarHBondContact O-N 3.05Å; I92-W94 VanDerWaalsContact C-N 3.31Å; I92-W94 PolarHBondContact O-N 3.16Å
95A84.1Confident81.5Confident49 Ų4981.6 Ų81.641%0.40543%0.431SS..Hα-helixtrans-74.2-32.2-175.600000113.8W91W91-A95 WeakPolarHBondContact O-CB 3.29Å; W91-A95 PolarHBondContact O-N 2.8Å
96F79.1Confident81.6Confident125 Ų12583.2 Ų83.255%0.54844%0.437SS..THydrogen-bonded Turntrans-119.634.9-178.2-61.2-76.1000112.1I92 S133I92-F96 HydrophobicContact CG2-CD2 4.31Å; I92-F96 WeakPolarHBondContact O-CB 3.3Å; I92-F96 PolarHBondContact O-N 3.26Å; F96-S133 WeakPolarHBondContact CB-OG 3.23Å; F96-S133 PolarHBondContact O-OG 3.44Å
97S76Confident81.3Confident51 Ų5185.1 Ų85.136%0.35745%0.454SS..THydrogen-bonded Turntrans-71.3149.9171.1-141.40000111N93 F99N93-S97 WeakPolarHBondContact O-CA 3.44Å; N93-S97 WeakPolarHBondContact O-CB 3.2Å; N93-S97 PolarHBondContact O-N 3.39Å; N93-S97 PolarHBondContact O-OG 3.12Å; S97-F99 WeakPolarHBondContact O-CD2 3.4Å
98G72.8Confident80.6Confident45 Ų4582.8 Ų82.846%0.46444%0.438SS..THydrogen-bonded Turntrans87.2-0.7173.500000116.9G119G98-G119 VanDerWaalsContact CA-O 3.24Å; G98-G119 WeakPolarHBondContact CA-O 3.42Å; G98-G119 PolarHBondContact N-O 2.8Å
99F74.4Confident80.1Confident154 Ų15482.8 Ų82.868%0.67544%0.442SS*.  trans-126.3144.1178-55.5-81.3000112.9S97 C120S97-F99 WeakPolarHBondContact O-CD2 3.4Å; F99-C120 PolarHBondContact N-SG 2.85Å; F99-C120 VanDerWaalsContact N-SG 3.45Å
100L72.9Confident79.6Confident58 Ų5889.5 Ų89.530%0.30447%0.467SS..EExtended strand (participates in β ladder)trans-85.5132.2170.7-68165.5000109.5L126 W130L100-L126 HydrophobicContact CD1-CD2 3.15Å; L100-L126 HydrophobicContact CG-CD2 4.46Å; L100-W130 HydrophobicContact CB-CE3 4.39Å; L100-W130 HydrophobicContact CD1-CB 4.24Å; L100-W130 HydrophobicContact CD1-CE3 4.37Å; L100-W130 HydrophobicContact CD2-CB 3.9Å
101T79.1Confident79.1Confident80 Ų8096.9 Ų96.949%0.49148%0.484SS..EExtended strand (participates in β ladder)trans-96.9-44.8-175.14.80000112.1V131 S132 S133T101-V131 PolarHBondContact N-O 2.83Å; T101-V131 VanDerWaalsContact N-O 3.09Å; T101-V131 PolarHBondContact OG1-O 2.88Å; T101-S132 PolarHBondContact OG1-O 2.94Å; T101-S133 VanDerWaalsContact OG1-CA 3.23Å; T101-S133 WeakPolarHBondContact OG1-CA 3.05Å; T101-S133 PolarHBondContact OG1-N 3.31Å
102T83.7Confident78.3Confident48 Ų4894.2 Ų94.229%0.29448%0.477SS..EExtended strand (participates in β ladder)trans-156.3162.6-175.8-169.40000112V131 W136T102-V131 HydrophobicContact CG2-CG2 4.42Å; T102-V131 PolarHBondContact O-N 2.85Å; T102-W136 HydrophobicContact CG2-CD2 3.98Å; T102-W136 HydrophobicContact CG2-CE3 3.59Å; T102-W136 HydrophobicContact CG2-CZ3 3.99Å
103K83.3Confident77.5Confident117 Ų11793.3 Ų93.351%0.50947%0.472SS..EExtended strand (participates in β ladder)trans-106.1122.9171.5-176.5-175.4176.6-175.80108.7S129 W130K103-S129 CarbonylContact C-O 3.59Å; K103-S129 VanDerWaalsContact CA-O 3.32Å; K103-S129 WeakPolarHBondContact CA-O 3.18Å; K103-W130 HydrophobicContact CB-CD2 4.18Å; K103-W130 HydrophobicContact CB-CE3 4.06Å; K103-W130 HydrophobicContact CB-CH2 4.32Å; K103-W130 HydrophobicContact CB-CZ2 4.42Å; K103-W130 HydrophobicContact CB-CZ3 4.13Å; K103-W130 HydrophobicContact CD-CZ2 4.19Å; K103-W130 HydrophobicContact CG-CD2 4.46Å
104V83.6Confident77Confident10 Ų1095.5 Ų95.56%0.06149%0.489CS..  trans-77.6144.8174.6-760000111.1F106 L108 S129 V131 L139V104-F106 HydrophobicContact CB-CD1 4.27Å; V104-F106 HydrophobicContact CB-CE1 3.87Å; V104-F106 HydrophobicContact CB-CE2 4.42Å; V104-F106 HydrophobicContact CB-CZ 3.94Å; V104-F106 HydrophobicContact CG1-CE1 4.22Å; V104-F106 HydrophobicContact CG1-CZ 4.12Å; V104-F106 HydrophobicContact CG2-CE2 4.33Å; V104-F106 HydrophobicContact CG2-CZ 4.3Å; V104-F106 PolarHBondContact O-N 2.93Å; V104-L108 HydrophobicContact CG2-CD1 3.38Å; V104-S129 VanDerWaalsContact CG2-O 3.28Å; V104-S129 WeakPolarHBondContact CG2-O 3.17Å; V104-S129 PolarHBondContact N-O 3.43Å; V104-V131 HydrophobicContact CB-CG2 4.42Å; V104-V131 HydrophobicContact CG1-CG2 3.75Å; V104-V131 HydrophobicContact CG2-CG2 3.96Å; V104-L139 HydrophobicContact CG1-CD1 4.14Å
105P83.5Confident76.5Confident131 Ų13192.7 Ų92.785%0.85149%0.485SS*.SBendtrans-81.58.2-17233.2-36.5000114.2
106F84.2Confident75.7Confident110 Ų11091.8 Ų91.848%0.48247%0.473SS..SBendtrans-121.5143.8177.347.1-86.7000109.7V104 L108V104-F106 HydrophobicContact CB-CD1 4.27Å; V104-F106 HydrophobicContact CB-CE1 3.87Å; V104-F106 HydrophobicContact CB-CE2 4.42Å; V104-F106 HydrophobicContact CB-CZ 3.94Å; V104-F106 HydrophobicContact CG1-CE1 4.22Å; V104-F106 HydrophobicContact CG1-CZ 4.12Å; V104-F106 HydrophobicContact CG2-CE2 4.33Å; V104-F106 HydrophobicContact CG2-CZ 4.3Å; V104-F106 PolarHBondContact O-N 2.93Å; F106-L108 HydrophobicContact CD2-CD1 3.33Å; F106-L108 HydrophobicContact CD2-CG 4.07Å; F106-L108 HydrophobicContact CE2-CD1 3.36Å; F106-L108 HydrophobicContact CE2-CD2 4.32Å; F106-L108 HydrophobicContact CE2-CG 3.96Å; F106-L108 HydrophobicContact CG-CD1 4.35Å; F106-L108 HydrophobicContact CZ-CD1 4.38Å; F106-L108 VanDerWaalsContact O-CD1 3.22Å; F106-L108 WeakPolarHBondContact O-CD1 3.36Å; F106-L108 PolarHBondContact O-N 2.98Å
107P75Confident75.2Confident120 Ų12086.5 Ų86.578%0.77945%0.45SS*.PPolyproline II helixtrans-73.1126.3176.228.8-32.5000110
108L74.2Confident74.7Confident41 Ų4191.9 Ų91.922%0.21546%0.463CS..PPolyproline II helixtrans-97.7149.6176.6-79.781.5000111.6V104 F106 L116 A128V104-L108 HydrophobicContact CG2-CD1 3.38Å; F106-L108 HydrophobicContact CD2-CD1 3.33Å; F106-L108 HydrophobicContact CD2-CG 4.07Å; F106-L108 HydrophobicContact CE2-CD1 3.36Å; F106-L108 HydrophobicContact CE2-CD2 4.32Å; F106-L108 HydrophobicContact CE2-CG 3.96Å; F106-L108 HydrophobicContact CG-CD1 4.35Å; F106-L108 HydrophobicContact CZ-CD1 4.38Å; F106-L108 VanDerWaalsContact O-CD1 3.22Å; F106-L108 WeakPolarHBondContact O-CD1 3.36Å; F106-L108 PolarHBondContact O-N 2.98Å; L108-L116 HydrophobicContact CD2-CD1 3.27Å; L108-A128 HydrophobicContact CB-CB 4.25Å
109T76.3Confident74.3Confident85 Ų8591.2 Ų91.252%0.52146%0.456SS..PPolyproline II helixtrans-69139.5174.4530000111R111 F112T109-R111 PolarHBondContact O-N 3.36Å; T109-F112 PolarHBondContact O-N 2.97Å; T109-F112 WeakPolarHBondContact OG1-CD2 3.19Å; T109-F112 VanDerWaalsContact OG1-CE2 3.29Å; T109-F112 WeakPolarHBondContact OG1-CE2 3.5Å
110Y71.4Confident73.6Confident147 Ų14784.4 Ų84.458%0.57643%0.427SS*.G310 helixtrans-58.5-20.2-174.8-154.9-96000114F112 K113 T124Y110-F112 VanDerWaalsContact C-N 3.28Å; Y110-F112 PolarHBondContact O-N 2.89Å; Y110-K113 HydrophobicContact CD1-CD 4.46Å; Y110-K113 HydrophobicContact CD2-CD 4.04Å; Y110-K113 HydrophobicContact CE1-CD 4.02Å; Y110-K113 HydrophobicContact CE2-CD 3.56Å; Y110-K113 HydrophobicContact CG-CD 4.47Å; Y110-K113 WeakPolarHBondContact O-CB 3.45Å; Y110-K113 PolarHBondContact O-N 3.41Å; Y110-K113 PolarHBondContact OH-NZ 2.89Å; Y110-T124 PolarHBondContact OH-O 2.66Å
111R74.5Confident73.1Confident228 Ų22889.4 Ų89.486%0.8645%0.449SS*.G310 helixtrans-67-25.6177.7-66.8-67.8-175.8143.4-0.5113.4T109 K113T109-R111 PolarHBondContact O-N 3.36Å; R111-K113 VanDerWaalsContact C-N 3.32Å
112F71.1Confident72.2Confident109 Ų10990.6 Ų90.648%0.47846%0.461SS..G310 helixtrans-82.9-11175.8-66.1-64.8000113.3T109 Y110 M115 L116T109-F112 PolarHBondContact O-N 2.97Å; T109-F112 WeakPolarHBondContact OG1-CD2 3.19Å; T109-F112 VanDerWaalsContact OG1-CE2 3.29Å; T109-F112 WeakPolarHBondContact OG1-CE2 3.5Å; Y110-F112 VanDerWaalsContact C-N 3.28Å; Y110-F112 PolarHBondContact O-N 2.89Å; F112-M115 WeakPolarHBondContact O-CB 3.34Å; F112-M115 PolarHBondContact O-N 2.85Å; F112-L116 HydrophobicContact CB-CD1 3.67Å; F112-L116 HydrophobicContact CB-CG 4.18Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 WeakPolarHBondContact O-CG 3.31Å; F112-L116 PolarHBondContact O-N 3.08Å
113K66.9Low71.1Confident14 Ų1492.2 Ų92.26%0.06147%0.467CS..Hα-helixtrans-51.5-50.3-177.3-168.4170.4174.8169.10114.4Y110 R111 M115 L116 Q117 T124 L126Y110-K113 HydrophobicContact CD1-CD 4.46Å; Y110-K113 HydrophobicContact CD2-CD 4.04Å; Y110-K113 HydrophobicContact CE1-CD 4.02Å; Y110-K113 HydrophobicContact CE2-CD 3.56Å; Y110-K113 HydrophobicContact CG-CD 4.47Å; Y110-K113 WeakPolarHBondContact O-CB 3.45Å; Y110-K113 PolarHBondContact O-N 3.41Å; Y110-K113 PolarHBondContact OH-NZ 2.89Å; R111-K113 VanDerWaalsContact C-N 3.32Å; K113-M115 VanDerWaalsContact C-N 3.25Å; K113-M115 PolarHBondContact O-N 3.4Å; K113-L116 PolarHBondContact O-N 3.49Å; K113-Q117 HydrophobicContact CG-CG 4.45Å; K113-Q117 VanDerWaalsContact CG-OE1 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 PolarHBondContact O-N 3.36Å; K113-T124 PolarHBondContact NZ-O 2.87Å; K113-L126 WeakPolarHBondContact CE-O 3.11Å; K113-L126 PolarHBondContact NZ-O 2.68Å
114P69.7Low70Confident95 Ų9591.4 Ų91.462%0.61747%0.473SS*.Hα-helixtrans-66.2-26.1178.425.1-34.6000113.7
115M71.3Confident69.1Low129 Ų12996.5 Ų96.564%0.63551%0.508SS*.Hα-helixtrans-77.3-36.5175.7-171.1173.6-177.600111.3F112 K113F112-M115 WeakPolarHBondContact O-CB 3.34Å; F112-M115 PolarHBondContact O-N 2.85Å; K113-M115 VanDerWaalsContact C-N 3.25Å; K113-M115 PolarHBondContact O-N 3.4Å
116L66.7Low68.2Low30 Ų3092.3 Ų92.316%0.15748%0.479CS..Hα-helixtrans-89.5-24-172.8-66173.3000114.4L108 F112 K113 V131 S132 S135L108-L116 HydrophobicContact CD2-CD1 3.27Å; F112-L116 HydrophobicContact CB-CD1 3.67Å; F112-L116 HydrophobicContact CB-CG 4.18Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 WeakPolarHBondContact O-CG 3.31Å; F112-L116 PolarHBondContact O-N 3.08Å; K113-L116 PolarHBondContact O-N 3.49Å; L116-V131 HydrophobicContact CB-CG1 3.88Å; L116-V131 HydrophobicContact CD1-CG1 4.42Å; L116-V131 HydrophobicContact CD2-CG1 3.82Å; L116-V131 HydrophobicContact CG-CG1 4.25Å; L116-S132 WeakPolarHBondContact O-CB 3.21Å; L116-S132 PolarHBondContact O-N 3.47Å; L116-S132 PolarHBondContact O-OG 3.13Å; L116-S135 WeakPolarHBondContact CA-OG 3.33Å; L116-S135 PolarHBondContact O-OG 3.08Å
117Q68.1Low67.4Low15 Ų1591.2 Ų91.27%0.0748%0.478CS..SBendtrans-11025.3-179.8-63.5-179-16.100111.8K113 G119 C120 D127 W130K113-Q117 HydrophobicContact CG-CG 4.45Å; K113-Q117 VanDerWaalsContact CG-OE1 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 PolarHBondContact O-N 3.36Å; Q117-G119 PolarHBondContact O-N 3.1Å; Q117-C120 PolarHBondContact O-N 2.75Å; Q117-D127 PolarHBondContact NE2-O 3.33Å; Q117-W130 PolarHBondContact NE2-O 2.85Å
118R66.7Low67.2Low163 Ų16385.6 Ų85.662%0.61544%0.441SS*.THydrogen-bonded Turntrans-59.5113.4178.4-131.5-179.1168.1125.90.4109.5
119G63.2Low67.4Low32 Ų3283.9 Ų83.933%0.3343%0.433SS..THydrogen-bonded Turntrans101.6-2.7-173.900000115.7G98 Q117G98-G119 VanDerWaalsContact CA-O 3.24Å; G98-G119 WeakPolarHBondContact CA-O 3.42Å; G98-G119 PolarHBondContact N-O 2.8Å; Q117-G119 PolarHBondContact O-N 3.1Å
120C60.8Low67.5Low10 Ų1084.3 Ų84.37%0.06843%0.425CS..  trans-125.237.5175.7-67.90000112.1F99 Q117 S122 L123F99-C120 PolarHBondContact N-SG 2.85Å; F99-C120 VanDerWaalsContact N-SG 3.45Å; Q117-C120 PolarHBondContact O-N 2.75Å; C120-S122 PolarHBondContact O-N 3.04Å; C120-S122 VanDerWaalsContact O-N 3.08Å; C120-L123 PolarHBondContact O-N 2.78Å
121E61.6Low67.9Low163 Ų16377.6 Ų77.676%0.76240%0.399SS*.THydrogen-bonded Turntrans-65.9-12.8-171.2-65.1178.5-174.100114.3L123E121-L123 PolarHBondContact O-N 3Å
122S60Low68.3Low106 Ų10666.8 Ų66.874%0.74136%0.359SS*.THydrogen-bonded Turntrans-77.8-12.2-178.8570000114.9C120C120-S122 PolarHBondContact O-N 3.04Å; C120-S122 VanDerWaalsContact O-N 3.08Å
123L60.7Low68.8Low81 Ų8162.2 Ų62.242%0.42434%0.34SS..  trans-10666.1177.9-74101.2000112.3C120 E121 S125 L126C120-L123 PolarHBondContact O-N 2.78Å; E121-L123 PolarHBondContact O-N 3Å; L123-S125 PolarHBondContact O-N 3.41Å; L123-S125 VanDerWaalsContact O-N 3.15Å; L123-L126 HydrophobicContact CB-CB 4.38Å; L123-L126 HydrophobicContact CD2-CD1 4.04Å; L123-L126 PolarHBondContact O-N 3.49Å
124T59.4Low69.4Low101 Ų10161.9 Ų61.962%0.6234%0.34SS*.THydrogen-bonded Turntrans-61.3-23.1-179.3-30.60000113.5Y110 K113Y110-T124 PolarHBondContact OH-O 2.66Å; K113-T124 PolarHBondContact NZ-O 2.87Å
125S66.1Low69.9Low116 Ų11657.8 Ų57.881%0.81131%0.314SS*.THydrogen-bonded Turntrans-84-7.2-179.457.80000114.8L123L123-S125 PolarHBondContact O-N 3.41Å; L123-S125 VanDerWaalsContact O-N 3.15Å
126L63.9Low70.6Confident43 Ų4356.7 Ų56.723%0.22530%0.303CS..SBendtrans-78.6143.5-174.8-131.376.7000112.5L100 K113 L123 W130L100-L126 HydrophobicContact CD1-CD2 3.15Å; L100-L126 HydrophobicContact CG-CD2 4.46Å; K113-L126 WeakPolarHBondContact CE-O 3.11Å; K113-L126 PolarHBondContact NZ-O 2.68Å; L123-L126 HydrophobicContact CB-CB 4.38Å; L123-L126 HydrophobicContact CD2-CD1 4.04Å; L123-L126 PolarHBondContact O-N 3.49Å; L126-W130 HydrophobicContact CD2-CB 3.82Å; L126-W130 HydrophobicContact CD2-CD2 4.22Å; L126-W130 HydrophobicContact CD2-CG 3.65Å; L126-W130 HydrophobicContact CG-CG 4.28Å
127D67.7Low71.5Confident87 Ų8757.1 Ų57.147%0.46530%0.302SS..  trans-62.5144.9177.9-173.523.9000111.3Q117 S129 W130Q117-D127 PolarHBondContact NE2-O 3.33Å; D127-S129 PolarHBondContact O-N 3.1Å; D127-S129 VanDerWaalsContact O-N 3.08Å; D127-S129 WeakPolarHBondContact OD2-CB 3.45Å; D127-S129 PolarHBondContact OD2-OG 3Å; D127-W130 PolarHBondContact O-N 2.51Å; D127-W130 VanDerWaalsContact O-N 3.15Å
128A71.1Confident72.2Confident2 Ų260.5 Ų60.52%0.01732%0.317CS..THydrogen-bonded Turntrans-66.3-11.7-176.400000113.2L108 W130L108-A128 HydrophobicContact CB-CB 4.25Å; A128-W130 PolarHBondContact O-N 2.75Å
129S77.1Confident73.1Confident6 Ų656.1 Ų56.14%0.04231%0.306CS..THydrogen-bonded Turntrans-67-15.5173.6-47.30000113.3K103 V104 D127K103-S129 CarbonylContact C-O 3.59Å; K103-S129 VanDerWaalsContact CA-O 3.32Å; K103-S129 WeakPolarHBondContact CA-O 3.18Å; V104-S129 VanDerWaalsContact CG2-O 3.28Å; V104-S129 WeakPolarHBondContact CG2-O 3.17Å; V104-S129 PolarHBondContact N-O 3.43Å; D127-S129 PolarHBondContact O-N 3.1Å; D127-S129 VanDerWaalsContact O-N 3.08Å; D127-S129 WeakPolarHBondContact OD2-CB 3.45Å; D127-S129 PolarHBondContact OD2-OG 3Å
130W78.4Confident74.1Confident93 Ų9357.1 Ų57.135%0.35230%0.303SS..EExtended strand (participates in β ladder)trans-90120.7177.5-69.496.5000111.1L100 K103 Q117 L126 D127 A128L100-W130 HydrophobicContact CB-CE3 4.39Å; L100-W130 HydrophobicContact CD1-CB 4.24Å; L100-W130 HydrophobicContact CD1-CE3 4.37Å; L100-W130 HydrophobicContact CD2-CB 3.9Å; K103-W130 HydrophobicContact CB-CD2 4.18Å; K103-W130 HydrophobicContact CB-CE3 4.06Å; K103-W130 HydrophobicContact CB-CH2 4.32Å; K103-W130 HydrophobicContact CB-CZ2 4.42Å; K103-W130 HydrophobicContact CB-CZ3 4.13Å; K103-W130 HydrophobicContact CD-CZ2 4.19Å; K103-W130 HydrophobicContact CG-CD2 4.46Å; Q117-W130 PolarHBondContact NE2-O 2.85Å; L126-W130 HydrophobicContact CD2-CB 3.82Å; L126-W130 HydrophobicContact CD2-CD2 4.22Å; L126-W130 HydrophobicContact CD2-CG 3.65Å; L126-W130 HydrophobicContact CG-CG 4.28Å; D127-W130 PolarHBondContact O-N 2.51Å; D127-W130 VanDerWaalsContact O-N 3.15Å; A128-W130 PolarHBondContact O-N 2.75Å
131V80.2Confident75Confident6 Ų658 Ų584%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-112.3143-171.7-125.70000111.9T101 T102 V104 L116T101-V131 PolarHBondContact N-O 2.83Å; T101-V131 VanDerWaalsContact N-O 3.09Å; T101-V131 PolarHBondContact OG1-O 2.88Å; T102-V131 HydrophobicContact CG2-CG2 4.42Å; T102-V131 PolarHBondContact O-N 2.85Å; V104-V131 HydrophobicContact CB-CG2 4.42Å; V104-V131 HydrophobicContact CG1-CG2 3.75Å; V104-V131 HydrophobicContact CG2-CG2 3.96Å; L116-V131 HydrophobicContact CB-CG1 3.88Å; L116-V131 HydrophobicContact CD1-CG1 4.42Å; L116-V131 HydrophobicContact CD2-CG1 3.82Å; L116-V131 HydrophobicContact CG-CG1 4.25Å
132S82.7Confident75.8Confident2 Ų257.4 Ų57.41%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-75.4166.2172.869.90000112T101 L116 A134 S135 W136T101-S132 PolarHBondContact OG1-O 2.94Å; L116-S132 WeakPolarHBondContact O-CB 3.21Å; L116-S132 PolarHBondContact O-N 3.47Å; L116-S132 PolarHBondContact O-OG 3.13Å; S132-A134 VanDerWaalsContact C-N 3.29Å; S132-A134 PolarHBondContact O-N 3.41Å; S132-S135 PolarHBondContact O-N 3.03Å; S132-S135 PolarHBondContact OG-OG 3.48Å; S132-W136 PolarHBondContact O-N 2.97Å
133S81.6Confident76.8Confident12 Ų1254.6 Ų54.68%0.08429%0.29CS..Hα-helixtrans-56.3-40.3177.253.20000112.7F96 T101 S135 W136 Y137F96-S133 WeakPolarHBondContact CB-OG 3.23Å; F96-S133 PolarHBondContact O-OG 3.44Å; T101-S133 VanDerWaalsContact OG1-CA 3.23Å; T101-S133 WeakPolarHBondContact OG1-CA 3.05Å; T101-S133 PolarHBondContact OG1-N 3.31Å; S133-S135 PolarHBondContact O-N 3.4Å; S133-W136 PolarHBondContact O-N 2.96Å; S133-Y137 PolarHBondContact O-N 2.84Å; S133-Y137 VanDerWaalsContact O-N 3.1Å
134A79.3Confident77.7Confident7 Ų753.9 Ų53.96%0.05829%0.287CS..Hα-helixtrans-64.7-40.1178.700000112.3N93 S132 Y137 F138N93-A134 HydrophobicContact CB-CB 4.11Å; S132-A134 VanDerWaalsContact C-N 3.29Å; S132-A134 PolarHBondContact O-N 3.41Å; A134-Y137 WeakPolarHBondContact O-CB 3.5Å; A134-Y137 PolarHBondContact O-N 3.36Å; A134-F138 WeakPolarHBondContact O-CD2 3.28Å; A134-F138 PolarHBondContact O-N 3.14Å; A134-F138 VanDerWaalsContact O-N 3.13Å
135S82Confident78.2Confident9 Ų952.7 Ų52.76%0.06327%0.271CS..Hα-helixtrans-72.4-36.1179.3-52.60000112.6L116 S132 S133 Y137 F138 L139L116-S135 WeakPolarHBondContact CA-OG 3.33Å; L116-S135 PolarHBondContact O-OG 3.08Å; S132-S135 PolarHBondContact O-N 3.03Å; S132-S135 PolarHBondContact OG-OG 3.48Å; S133-S135 PolarHBondContact O-N 3.4Å; S135-Y137 VanDerWaalsContact C-N 3.29Å; S135-Y137 PolarHBondContact O-N 2.83Å; S135-F138 PolarHBondContact O-N 3.16Å; S135-L139 WeakPolarHBondContact O-CB 3.44Å; S135-L139 PolarHBondContact O-N 3.09Å
136W85Confident78.5Confident107 Ų10751.5 Ų51.541%0.40526%0.262SS..Hα-helixtrans-60.7-41.3171.9-176.3-117000111.4T102 S132 S133 L139 N140T102-W136 HydrophobicContact CG2-CD2 3.98Å; T102-W136 HydrophobicContact CG2-CE3 3.59Å; T102-W136 HydrophobicContact CG2-CZ3 3.99Å; S132-W136 PolarHBondContact O-N 2.97Å; S133-W136 PolarHBondContact O-N 2.96Å; W136-L139 HydrophobicContact CE3-CD1 4.37Å; W136-L139 HydrophobicContact CZ3-CD1 4.31Å; W136-L139 HydrophobicContact CZ3-CD2 4.27Å; W136-L139 PolarHBondContact O-N 3.36Å; W136-N140 WeakPolarHBondContact CZ2-ND2 3.49Å; W136-N140 PolarHBondContact NE1-ND2 3.42Å; W136-N140 VanDerWaalsContact NE1-ND2 3.16Å; W136-N140 PolarHBondContact O-N 3.22Å; W136-N140 PolarHBondContact O-ND2 3.36Å
137Y86.4Confident79.1Confident38 Ų3854.7 Ų54.715%0.14928%0.277CS..Hα-helixtrans-59.7-49.4173.9168.6-106.4000112.5M85 I88 I92 S133 A134 S135 L139 N140 I141M85-Y137 WeakPolarHBondContact O-CE1 3.39Å; M85-Y137 PolarHBondContact O-OH 3.25Å; I88-Y137 WeakPolarHBondContact CB-OH 3.32Å; I88-Y137 HydrophobicContact CG2-CE2 3.69Å; I92-Y137 HydrophobicContact CD1-CD1 4.21Å; I92-Y137 HydrophobicContact CD1-CD2 3.37Å; I92-Y137 HydrophobicContact CD1-CE2 3.84Å; I92-Y137 HydrophobicContact CD1-CG 3.56Å; S133-Y137 PolarHBondContact O-N 2.84Å; S133-Y137 VanDerWaalsContact O-N 3.1Å; A134-Y137 WeakPolarHBondContact O-CB 3.5Å; A134-Y137 PolarHBondContact O-N 3.36Å; S135-Y137 VanDerWaalsContact C-N 3.29Å; S135-Y137 PolarHBondContact O-N 2.83Å; Y137-L139 VanDerWaalsContact C-N 3.29Å; Y137-L139 PolarHBondContact O-N 2.57Å; Y137-N140 PolarHBondContact O-N 3.27Å; Y137-I141 HydrophobicContact CD1-CD1 3.7Å; Y137-I141 HydrophobicContact CD2-CD1 4.15Å; Y137-I141 HydrophobicContact CD2-CG1 4.47Å; Y137-I141 HydrophobicContact CE1-CD1 3.18Å; Y137-I141 HydrophobicContact CE1-CG1 4.38Å; Y137-I141 HydrophobicContact CE2-CD1 3.69Å; Y137-I141 HydrophobicContact CE2-CG1 4.1Å; Y137-I141 HydrophobicContact CG-CD1 4.17Å; Y137-I141 WeakPolarHBondContact O-CG1 3.07Å; Y137-I141 PolarHBondContact O-N 2.75Å
138F82.6Confident79.2Confident87 Ų8756.1 Ų56.138%0.38228%0.277SS..Hα-helixtrans-60.7-38.4176.7-78.9-66.8000112.5A134 S135 I141 F142A134-F138 WeakPolarHBondContact O-CD2 3.28Å; A134-F138 PolarHBondContact O-N 3.14Å; A134-F138 VanDerWaalsContact O-N 3.13Å; S135-F138 PolarHBondContact O-N 3.16Å; F138-I141 HydrophobicContact CD1-CD1 4.38Å; F138-I141 PolarHBondContact O-N 3.48Å; F138-F142 HydrophobicContact CB-CE2 4.33Å; F138-F142 WeakPolarHBondContact O-CD2 3.3Å; F138-F142 WeakPolarHBondContact O-CG 3.44Å; F138-F142 PolarHBondContact O-N 3.3Å; F138-F142 VanDerWaalsContact O-N 3.13Å
139L84.9Confident79.2Confident71 Ų7157.5 Ų57.537%0.37229%0.291SS..Hα-helixtrans-62.9-44.9175.8-161.2162.2000111V104 S135 W136 Y137 I141 F142 G143V104-L139 HydrophobicContact CG1-CD1 4.14Å; S135-L139 WeakPolarHBondContact O-CB 3.44Å; S135-L139 PolarHBondContact O-N 3.09Å; W136-L139 HydrophobicContact CE3-CD1 4.37Å; W136-L139 HydrophobicContact CZ3-CD1 4.31Å; W136-L139 HydrophobicContact CZ3-CD2 4.27Å; W136-L139 PolarHBondContact O-N 3.36Å; Y137-L139 VanDerWaalsContact C-N 3.29Å; Y137-L139 PolarHBondContact O-N 2.57Å; L139-I141 PolarHBondContact O-N 2.94Å; L139-F142 PolarHBondContact O-N 3.43Å; L139-G143 PolarHBondContact O-N 2.71Å
140N85Confident79.2Confident53 Ų5364 Ų6428%0.28333%0.325SS..Hα-helixtrans-63.2-39.9176.6-81.6-85.1000112.4W136 Y137 F142 G143 L144W136-N140 WeakPolarHBondContact CZ2-ND2 3.49Å; W136-N140 PolarHBondContact NE1-ND2 3.42Å; W136-N140 VanDerWaalsContact NE1-ND2 3.16Å; W136-N140 PolarHBondContact O-N 3.22Å; W136-N140 PolarHBondContact O-ND2 3.36Å; Y137-N140 PolarHBondContact O-N 3.27Å; N140-F142 PolarHBondContact O-N 3.07Å; N140-G143 PolarHBondContact O-N 3.49Å; N140-L144 HydrophobicContact CB-CD1 4.17Å; N140-L144 WeakPolarHBondContact O-CB 3.46Å; N140-L144 WeakPolarHBondContact O-CG 3.3Å; N140-L144 PolarHBondContact O-N 2.79Å
141I79.9Confident79.2Confident28 Ų2865 Ų6514%0.14434%0.341CS..Hα-helixtrans-57.3-49.8174.6-76.9164.3000111.5M85 Y137 F138 L139 R145M85-I141 HydrophobicContact CE-CB 4.18Å; M85-I141 HydrophobicContact CE-CD1 4.05Å; M85-I141 HydrophobicContact CE-CG1 3.95Å; M85-I141 HydrophobicContact CE-CG2 3.2Å; M85-I141 HydrophobicContact CG-CD1 3.43Å; M85-I141 VanDerWaalsContact CG-CD1 3.43Å; M85-I141 HydrophobicContact CG-CG1 4.31Å; M85-I141 HydrophobicContact SD-CD1 3.84Å; M85-I141 HydrophobicContact SD-CG1 4.36Å; M85-I141 HydrophobicContact SD-CG2 3.55Å; M85-I141 VanDerWaalsContact SD-CG2 3.55Å; Y137-I141 HydrophobicContact CD1-CD1 3.7Å; Y137-I141 HydrophobicContact CD2-CD1 4.15Å; Y137-I141 HydrophobicContact CD2-CG1 4.47Å; Y137-I141 HydrophobicContact CE1-CD1 3.18Å; Y137-I141 HydrophobicContact CE1-CG1 4.38Å; Y137-I141 HydrophobicContact CE2-CD1 3.69Å; Y137-I141 HydrophobicContact CE2-CG1 4.1Å; Y137-I141 HydrophobicContact CG-CD1 4.17Å; Y137-I141 WeakPolarHBondContact O-CG1 3.07Å; Y137-I141 PolarHBondContact O-N 2.75Å; F138-I141 HydrophobicContact CD1-CD1 4.38Å; F138-I141 PolarHBondContact O-N 3.48Å; L139-I141 PolarHBondContact O-N 2.94Å; I141-R145 PolarHBondContact O-N 2.76Å
142F78.3Confident78.8Confident150 Ų15070.2 Ų70.266%0.65837%0.368SS*.Hα-helixtrans-70-36.1-176.1-64.8-46.5000111.7F138 L139 N140F138-F142 HydrophobicContact CB-CE2 4.33Å; F138-F142 WeakPolarHBondContact O-CD2 3.3Å; F138-F142 WeakPolarHBondContact O-CG 3.44Å; F138-F142 PolarHBondContact O-N 3.3Å; F138-F142 VanDerWaalsContact O-N 3.13Å; L139-F142 PolarHBondContact O-N 3.43Å; N140-F142 PolarHBondContact O-N 3.07Å
143G79.8Confident78.1Confident48 Ų4871.6 Ų71.650%0.49538%0.383SS..Hα-helixtrans-76.7-40.2179.500000114.4L139 N140 R145L139-G143 PolarHBondContact O-N 2.71Å; N140-G143 PolarHBondContact O-N 3.49Å; G143-R145 VanDerWaalsContact C-N 3.27Å; G143-R145 PolarHBondContact O-N 3.16Å
144L79.5Confident77.2Confident66 Ų6676.3 Ų76.335%0.34642%0.416SS..Hα-helixtrans-74.2-17.8-176.1-69.6171.5000113.3N140 S146 M147 Y148N140-L144 HydrophobicContact CB-CD1 4.17Å; N140-L144 WeakPolarHBondContact O-CB 3.46Å; N140-L144 WeakPolarHBondContact O-CG 3.3Å; N140-L144 PolarHBondContact O-N 2.79Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 2.82Å; L144-M147 CarbonylContact O-C 3.19Å; L144-M147 WeakPolarHBondContact O-CB 3.42Å; L144-M147 PolarHBondContact O-N 2.8Å; L144-M147 VanDerWaalsContact O-N 3.08Å; L144-Y148 HydrophobicContact CB-CD2 4.26Å; L144-Y148 HydrophobicContact CB-CE2 3.79Å; L144-Y148 WeakPolarHBondContact O-CD2 3.32Å; L144-Y148 PolarHBondContact O-N 3.37Å
145R70.5Confident76.2Confident76 Ų7683.8 Ų83.829%0.28746%0.455SS..Hα-helixtrans-51.4-48.8176.3-175.8-172.5179.371.755.9112.9I141 G143 M147 Y148 G149 A158 D159 N160I141-R145 PolarHBondContact O-N 2.76Å; G143-R145 VanDerWaalsContact C-N 3.27Å; G143-R145 PolarHBondContact O-N 3.16Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-Y148 PolarHBondContact O-N 3.1Å; R145-G149 PolarHBondContact O-N 3.32Å; R145-A158 PolarHBondContact NH2-O 3.33Å; R145-D159 IonicContact CZ-OD1 2.75Å; R145-D159 IonicContact NE-OD1 3.9Å; R145-D159 IonicContact NH2-OD1 3.69Å; R145-D159 PolarHBondContact NH2-OD1 3Å; R145-N160 VanDerWaalsContact NH1-C 3.33Å; R145-N160 PolarHBondContact NH1-O 2.58Å; R145-N160 VanDerWaalsContact NH2-CA 3.27Å
146S72.2Confident75.1Confident91 Ų9184.9 Ų84.964%0.63646%0.46SS*.Hα-helixtrans-68.4-35.1178.9176.70000111.8L144 G149 L150L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 2.82Å; S146-G149 PolarHBondContact O-N 3.37Å; S146-L150 PolarHBondContact O-N 2.95Å; S146-L150 VanDerWaalsContact O-N 3.15Å
147M75.7Confident73.7Confident109 Ų10984.2 Ų84.254%0.53748%0.477SS..Hα-helixtrans-66.9-38.9175.7-73.3-67.7158.700112.2L144 R145 G149 L150 V151L144-M147 CarbonylContact O-C 3.19Å; L144-M147 WeakPolarHBondContact O-CB 3.42Å; L144-M147 PolarHBondContact O-N 2.8Å; L144-M147 VanDerWaalsContact O-N 3.08Å; R145-M147 VanDerWaalsContact C-N 3.33Å; M147-G149 VanDerWaalsContact C-N 3.33Å; M147-G149 PolarHBondContact O-N 2.96Å; M147-L150 WeakPolarHBondContact O-CB 3.28Å; M147-L150 PolarHBondContact O-N 3.18Å; M147-L150 VanDerWaalsContact O-N 3.13Å; M147-V151 WeakPolarHBondContact O-CG2 3.22Å; M147-V151 PolarHBondContact O-N 3.47Å
148Y71.7Confident72Confident118 Ų11884.3 Ų84.346%0.46349%0.486SS..Hα-helixtrans-62.9-40.3174.6-68.9-49.4000112.1L144 R145 L150 V151 L152 N156L144-Y148 HydrophobicContact CB-CD2 4.26Å; L144-Y148 HydrophobicContact CB-CE2 3.79Å; L144-Y148 WeakPolarHBondContact O-CD2 3.32Å; L144-Y148 PolarHBondContact O-N 3.37Å; R145-Y148 PolarHBondContact O-N 3.1Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 3.48Å; Y148-V151 PolarHBondContact O-N 3.13Å; Y148-L152 PolarHBondContact O-N 3.34Å; Y148-N156 PolarHBondContact O-ND2 3.23Å; Y148-N156 VanDerWaalsContact O-ND2 3.08Å
149G71Confident70.6Confident30 Ų3084.1 Ų84.131%0.30949%0.489SS..Hα-helixtrans-59.6-36.4172.800000112.9R145 S146 M147 G153R145-G149 PolarHBondContact O-N 3.32Å; S146-G149 PolarHBondContact O-N 3.37Å; M147-G149 VanDerWaalsContact C-N 3.33Å; M147-G149 PolarHBondContact O-N 2.96Å; G149-G153 CarbonylContact O-C 3.21Å; G149-G153 VanDerWaalsContact O-CA 3.23Å; G149-G153 WeakPolarHBondContact O-CA 3.02Å; G149-G153 PolarHBondContact O-N 2.62Å; G149-G153 VanDerWaalsContact O-N 3.08Å; G149-G153 VanDerWaalsContact O-O 3.09Å
150L75.6Confident69.2Low142 Ų14283 Ų8374%0.74348%0.483SS*.Hα-helixtrans-72.9-42.8178.1-151.491.8000112.7S146 M147 Y148S146-L150 PolarHBondContact O-N 2.95Å; S146-L150 VanDerWaalsContact O-N 3.15Å; M147-L150 WeakPolarHBondContact O-CB 3.28Å; M147-L150 PolarHBondContact O-N 3.18Å; M147-L150 VanDerWaalsContact O-N 3.13Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 3.48Å
151V78.4Confident67.4Low114 Ų11482.7 Ų82.769%0.69149%0.485SS*.Hα-helixtrans-76.5-41.8-173.7172.10000112M147 Y148M147-V151 WeakPolarHBondContact O-CG2 3.22Å; M147-V151 PolarHBondContact O-N 3.47Å; Y148-V151 PolarHBondContact O-N 3.13Å
152L72.9Confident65.7Low116 Ų11687.6 Ų87.661%0.60751%0.509SS*.Hα-helixtrans-104.7-8.1-171.8-68.8166000111.8Y148 N156Y148-L152 PolarHBondContact O-N 3.34Å; L152-N156 VanDerWaalsContact CA-ND2 3.32Å; L152-N156 WeakPolarHBondContact CA-ND2 3.46Å; L152-N156 HydrophobicContact CB-CB 4.43Å; L152-N156 WeakPolarHBondContact CB-ND2 3.26Å; L152-N156 WeakPolarHBondContact CB-OD1 3.34Å; L152-N156 PolarHBondContact O-ND2 3.36Å; L152-N156 PolarHBondContact O-OD1 3.23Å
153G66.6Low64.4Low32 Ų3283.7 Ų83.733%0.3349%0.494SS..  trans99.9173.6178.700000115.1G149 D155 N156G149-G153 CarbonylContact O-C 3.21Å; G149-G153 VanDerWaalsContact O-CA 3.23Å; G149-G153 WeakPolarHBondContact O-CA 3.02Å; G149-G153 PolarHBondContact O-N 2.62Å; G149-G153 VanDerWaalsContact O-N 3.08Å; G149-G153 VanDerWaalsContact O-O 3.09Å; G153-D155 PolarHBondContact O-N 3.3Å; G153-N156 PolarHBondContact N-ND2 2.94Å; G153-N156 VanDerWaalsContact N-ND2 3.13Å; G153-N156 VanDerWaalsContact O-CG 3.31Å; G153-N156 PolarHBondContact O-ND2 2.93Å
154S63.6Low62.9Low111 Ų11188 Ų8878%0.77651%0.505SS*.THydrogen-bonded Turntrans-71.1-11.4-178.145.10000114.8
155D58.9Low61.2Low163 Ų16391 Ų9187%0.87253%0.526SS*.THydrogen-bonded Turntrans-94.617.2-178.6-82.8-33.9000114.3G153 A157G153-D155 PolarHBondContact O-N 3.3Å; D155-A157 PolarHBondContact O-N 3.43Å
156N57.5Low59.8Low33 Ų3389.6 Ų89.618%0.17652%0.524CS..  trans-77.2135.3-178.4-58.5-43.8000111.9Y148 L152 G153 A158 D159Y148-N156 PolarHBondContact O-ND2 3.23Å; Y148-N156 VanDerWaalsContact O-ND2 3.08Å; L152-N156 VanDerWaalsContact CA-ND2 3.32Å; L152-N156 WeakPolarHBondContact CA-ND2 3.46Å; L152-N156 HydrophobicContact CB-CB 4.43Å; L152-N156 WeakPolarHBondContact CB-ND2 3.26Å; L152-N156 WeakPolarHBondContact CB-OD1 3.34Å; L152-N156 PolarHBondContact O-ND2 3.36Å; L152-N156 PolarHBondContact O-OD1 3.23Å; G153-N156 PolarHBondContact N-ND2 2.94Å; G153-N156 VanDerWaalsContact N-ND2 3.13Å; G153-N156 VanDerWaalsContact O-CG 3.31Å; G153-N156 PolarHBondContact O-ND2 2.93Å; N156-A158 HydrophobicContact CB-CB 4.3Å; N156-A158 PolarHBondContact O-N 3.49Å; N156-D159 PolarHBondContact O-N 2.73Å
157A55.7Low58.2Low92 Ų9293 Ų9376%0.7653%0.53SS*.THydrogen-bonded Turntrans-56.2-7.716900000114.3D155 D159D155-A157 PolarHBondContact O-N 3.43Å; A157-D159 VanDerWaalsContact C-N 3.3Å
158A50.7Low56.3Low40 Ų4095.4 Ų95.433%0.33154%0.54SS..THydrogen-bonded Turntrans-74.4-19.6170.200000112.7R145 N156 N160R145-A158 PolarHBondContact NH2-O 3.33Å; N156-A158 HydrophobicContact CB-CB 4.3Å; N156-A158 PolarHBondContact O-N 3.49Å; A158-N160 PolarHBondContact O-N 2.92Å
159D53.8Low54.5Low83 Ų8394.7 Ų94.744%0.44455%0.548SS..  trans-79.851-176.4-152.622.9000114.8R145 N156 A157 S161R145-D159 IonicContact CZ-OD1 2.75Å; R145-D159 IonicContact NE-OD1 3.9Å; R145-D159 IonicContact NH2-OD1 3.69Å; R145-D159 PolarHBondContact NH2-OD1 3Å; N156-D159 PolarHBondContact O-N 2.73Å; A157-D159 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.5Å; D159-S161 WeakPolarHBondContact OD1-CB 3.44Å; D159-S161 PolarHBondContact OD1-OG 2.9Å; D159-S161 PolarHBondContact OD2-OG 3.25Å; D159-S161 VanDerWaalsContact OD2-OG 3.1Å
160N55.1Low52.8Low47 Ų4796.3 Ų96.325%0.25155%0.553SS.*G310 helixtrans-5422.1157.4-70-34.9000117N81 R145 A158 M162 I163N81-N160 PolarHBondContact ND2-OD1 3.29Å; R145-N160 VanDerWaalsContact NH1-C 3.33Å; R145-N160 PolarHBondContact NH1-O 2.58Å; R145-N160 VanDerWaalsContact NH2-CA 3.27Å; A158-N160 PolarHBondContact O-N 2.92Å; N160-M162 PolarHBondContact O-N 3.24Å; N160-I163 HydrophobicContact CB-CD1 3.69Å; N160-I163 HydrophobicContact CB-CG1 4.06Å; N160-I163 WeakPolarHBondContact O-CB 3.32Å; N160-I163 PolarHBondContact O-N 2.99Å; N160-I163 VanDerWaalsContact OD1-CD1 3.3Å; N160-I163 WeakPolarHBondContact OD1-CD1 3.49Å
161S47Very low50.9Low47 Ų4794.8 Ų94.833%0.32955%0.55SS..G310 helixtrans-73.5-23.7-176.956.30000109.5D159 I163 L164 T165D159-S161 PolarHBondContact O-N 3.5Å; D159-S161 WeakPolarHBondContact OD1-CB 3.44Å; D159-S161 PolarHBondContact OD1-OG 2.9Å; D159-S161 PolarHBondContact OD2-OG 3.25Å; D159-S161 VanDerWaalsContact OD2-OG 3.1Å; S161-I163 PolarHBondContact O-N 3.47Å; S161-I163 VanDerWaalsContact O-N 3.08Å; S161-L164 PolarHBondContact O-N 2.91Å; S161-T165 PolarHBondContact O-OG1 2.67Å
162M45.9Very low48.9Very low132 Ų13292.2 Ų92.265%0.6554%0.535SS*.G310 helixtrans-64.8-1.4166.1-150.9164.796.600114.4N160 D166N160-M162 PolarHBondContact O-N 3.24Å; M162-D166 HydrophobicContact CG-CB 4.47Å; M162-D166 WeakPolarHBondContact O-CB 3.29Å
163I49.3Very low47.4Very low68 Ų6895 Ų9535%0.34955%0.545SS..G310 helixtrans-97.9-25.2179.9-54.8-173.9000112.8N78 N160 S161N78-I163 WeakPolarHBondContact OD1-CD1 3.43Å; N160-I163 HydrophobicContact CB-CD1 3.69Å; N160-I163 HydrophobicContact CB-CG1 4.06Å; N160-I163 WeakPolarHBondContact O-CB 3.32Å; N160-I163 PolarHBondContact O-N 2.99Å; N160-I163 VanDerWaalsContact OD1-CD1 3.3Å; N160-I163 WeakPolarHBondContact OD1-CD1 3.49Å; S161-I163 PolarHBondContact O-N 3.47Å; S161-I163 VanDerWaalsContact O-N 3.08Å
164L48.2Very low46.3Very low138 Ų13895.2 Ų95.272%0.72354%0.543SS*.THydrogen-bonded Turntrans-106.3-34.2-177.4-124.782.8000114.1S161 H167S161-L164 PolarHBondContact O-N 2.91Å; L164-H167 PolarHBondContact O-ND1 3.32Å
165T44.8Very low45.6Very low128 Ų12894.4 Ų94.479%0.78554%0.536SS*.SBendtrans-85.4-13.1175.241.10000113.4S161 H167S161-T165 PolarHBondContact O-OG1 2.67Å; T165-H167 VanDerWaalsContact C-N 3.32Å; T165-H167 PolarHBondContact O-N 2.95Å
166D40.8Very low45.3Very low47 Ų4792.7 Ų92.725%0.25152%0.522SS..  trans-96.655.4171.9-140.634.2000110.5M162 Q168M162-D166 HydrophobicContact CG-CB 4.47Å; M162-D166 WeakPolarHBondContact O-CB 3.29Å; D166-Q168 CarbonylContact C-O 3.56Å; D166-Q168 WeakPolarHBondContact CB-O 3.39Å; D166-Q168 CarbonylContact O-C 3.16Å; D166-Q168 PolarHBondContact O-N 3.48Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.24Å; D166-Q168 VanDerWaalsContact OD1-O 3.12Å; D166-Q168 VanDerWaalsContact OD2-O 3.12Å
167H40Very low45.7Very low163 Ų16392.5 Ų92.576%0.75552%0.522SS*.  trans-72.42.8153.5-8878000111.7L164 T165 V169L164-H167 PolarHBondContact O-ND1 3.32Å; T165-H167 VanDerWaalsContact C-N 3.32Å; T165-H167 PolarHBondContact O-N 2.95Å; H167-V169 PolarHBondContact O-N 2.89Å
168Q34.9Very low46.6Very low159 Ų15989.4 Ų89.474%0.74349%0.492SS*.SBendtrans-70.596.6135.6-74.8-176.6-89.800105.1D166 P170D166-Q168 CarbonylContact C-O 3.56Å; D166-Q168 WeakPolarHBondContact CB-O 3.39Å; D166-Q168 CarbonylContact O-C 3.16Å; D166-Q168 PolarHBondContact O-N 3.48Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.24Å; D166-Q168 VanDerWaalsContact OD1-O 3.12Å; D166-Q168 VanDerWaalsContact OD2-O 3.12Å; Q168-P170 VanDerWaalsContact O-CD 3.3Å; Q168-P170 WeakPolarHBondContact O-CD 3.42Å
169V33.7Very low48Very low103 Ų10390.5 Ų90.562%0.62449%0.49SS*.  trans-32.2115.6164.6178.80000106.3H167 T171H167-V169 PolarHBondContact O-N 2.89Å; V169-T171 PolarHBondContact O-N 3.43Å
170P35.5Very low49.3Very low64 Ų6493.1 Ų93.142%0.41650%0.497SS..  trans-61.896.2163.623.6-27.4000100.3Q168 P172Q168-P170 VanDerWaalsContact O-CD 3.3Å; Q168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-P172 VanDerWaalsContact O-CD 3.3Å; P170-P172 WeakPolarHBondContact O-CD 3.09Å
171T35.5Very low50.7Low111 Ų11191.5 Ų91.568%0.68149%0.49SS*.  trans-51.7122175.3-14.4000098.8V169 Q173V169-T171 PolarHBondContact O-N 3.43Å; T171-Q173 PolarHBondContact O-N 2.89Å
172P37.5Very low52.6Low60 Ų6089.3 Ų89.339%0.3948%0.475SS..  trans-42.4132159.2-14.825000102.3M74 P170 A174M74-P172 HydrophobicContact CE-CB 4.2Å; M74-P172 HydrophobicContact CE-CG 4.45Å; M74-P172 HydrophobicContact SD-CB 3.97Å; M74-P172 HydrophobicContact SD-CG 3.8Å; P170-P172 VanDerWaalsContact O-CD 3.3Å; P170-P172 WeakPolarHBondContact O-CD 3.09Å; P172-A174 PolarHBondContact O-N 3.25Å
173Q41.6Very low54.5Low175 Ų17589.3 Ų89.382%0.81847%0.472SS*.  trans-58.382.2157.3-80.2178.8-43.200103.1T171T171-Q173 PolarHBondContact O-N 2.89Å
174A42.6Very low56.4Low35 Ų3588.7 Ų88.729%0.28948%0.477SS..  trans-47.6116.8163.60000099.3P64 P172 Q176P64-A174 HydrophobicContact CB-CB 3.89Å; P64-A174 HydrophobicContact CG-CB 3.78Å; P172-A174 PolarHBondContact O-N 3.25Å; A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 VanDerWaalsContact O-CA 3.23Å; A174-Q176 WeakPolarHBondContact O-CA 3.16Å; A174-Q176 PolarHBondContact O-N 2.93Å
175P47.9Very low58.3Low95 Ų9583.1 Ų83.162%0.61745%0.447SS*.  trans-42.6106.7-166.914-28.7000105D177P175-D177 PolarHBondContact O-N 2.77Å
176Q54.4Low60.4Low126 Ų12680 Ų8059%0.58942%0.42SS*.  trans-56.2120.7-166.8-97.3-169-29.400102.6A174 M178 A181A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 VanDerWaalsContact O-CA 3.23Å; A174-Q176 WeakPolarHBondContact O-CA 3.16Å; A174-Q176 PolarHBondContact O-N 2.93Å; Q176-M178 VanDerWaalsContact C-N 3.29Å; Q176-M178 VanDerWaalsContact O-CA 3.29Å; Q176-M178 WeakPolarHBondContact O-CA 3.28Å; Q176-M178 PolarHBondContact O-N 2.73Å; Q176-A181 HydrophobicContact CB-CB 4.31Å
177D65.9Low62.7Low30 Ų3082.2 Ų82.216%0.1643%0.429CS..  trans-44.6105.7177.3-101-24.4000105.5S59 P175 Q179 K180 A181S59-D177 WeakPolarHBondContact CB-OD1 3.47Å; P175-D177 PolarHBondContact O-N 2.77Å; D177-Q179 PolarHBondContact O-N 2.89Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; D177-K180 HydrophobicContact CB-CB 3.86Å; D177-K180 HydrophobicContact CB-CD 3.89Å; D177-K180 HydrophobicContact CB-CG 3.83Å; D177-K180 WeakPolarHBondContact O-CA 3.05Å; D177-K180 WeakPolarHBondContact O-CB 3.46Å; D177-K180 PolarHBondContact O-N 2.8Å; D177-K180 WeakPolarHBondContact OD2-CE 3.45Å; D177-K180 IonicContact OD2-NZ 3.6Å; D177-K180 PolarHBondContact OD2-NZ 3.05Å; D177-A181 PolarHBondContact O-N 2.99Å
178M74.4Confident65.2Low27 Ų2775.8 Ų75.813%0.13340%0.404CS..Hα-helixtrans-61.5-35.2-163.3-102.5-83.332.400109.1D15 L19 R57 Q176 K180 A181 F182D15-M178 HydrophobicContact CB-CE 4.36Å; D15-M178 HydrophobicContact CB-CG 4.49Å; D15-M178 HydrophobicContact CB-SD 3.26Å; D15-M178 WeakPolarHBondContact CB-SD 3.4Å; L19-M178 HydrophobicContact CD1-CE 3.47Å; L19-M178 VanDerWaalsContact CD1-CE 3.47Å; L19-M178 HydrophobicContact CD1-SD 4.12Å; L19-M178 HydrophobicContact CD2-CE 4.32Å; L19-M178 HydrophobicContact CG-CE 3.96Å; R57-M178 HydrophobicContact CB-CB 4.29Å; R57-M178 HydrophobicContact CG-CB 4.35Å; Q176-M178 VanDerWaalsContact C-N 3.29Å; Q176-M178 VanDerWaalsContact O-CA 3.29Å; Q176-M178 WeakPolarHBondContact O-CA 3.28Å; Q176-M178 PolarHBondContact O-N 2.73Å; M178-K180 PolarHBondContact O-N 3.47Å; M178-A181 HydrophobicContact CE-CB 4.01Å; M178-A181 PolarHBondContact O-N 3.34Å; M178-F182 HydrophobicContact CB-CE2 4.48Å; M178-F182 HydrophobicContact CE-CD1 3.27Å; M178-F182 HydrophobicContact CE-CD2 3.85Å; M178-F182 HydrophobicContact CE-CE1 3.11Å; M178-F182 HydrophobicContact CE-CE2 3.7Å; M178-F182 HydrophobicContact CE-CG 3.65Å; M178-F182 HydrophobicContact CE-CZ 3.34Å; M178-F182 WeakPolarHBondContact O-CB 3.28Å; M178-F182 WeakPolarHBondContact O-CD2 3.48Å; M178-F182 VanDerWaalsContact O-CG 3.28Å; M178-F182 WeakPolarHBondContact O-CG 3.27Å; M178-F182 PolarHBondContact O-N 3.03Å; M178-F182 HydrophobicContact SD-CE1 4.08Å; M178-F182 HydrophobicContact SD-CE2 4.36Å; M178-F182 HydrophobicContact SD-CZ 3.88Å
179Q78.3Confident67.8Low63 Ų6368.2 Ų68.229%0.29437%0.369SS..Hα-helixtrans-51.6-47.9168.5-133.685.6-33.900114.1R57 D177 K183R57-Q179 PolarHBondContact O-NE2 2.94Å; R57-Q179 PolarHBondContact O-OE1 3.32Å; D177-Q179 PolarHBondContact O-N 2.89Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; Q179-K183 WeakPolarHBondContact O-CB 3.17Å; Q179-K183 PolarHBondContact O-N 3.48Å
180K83Confident70.4Confident137 Ų13767 Ų6760%0.59636%0.357SS*.Hα-helixtrans-69.6-41.5-179.8-73.5-176.4-176.51380110.8D177 M178 K183 A184D177-K180 HydrophobicContact CB-CB 3.86Å; D177-K180 HydrophobicContact CB-CD 3.89Å; D177-K180 HydrophobicContact CB-CG 3.83Å; D177-K180 WeakPolarHBondContact O-CA 3.05Å; D177-K180 WeakPolarHBondContact O-CB 3.46Å; D177-K180 PolarHBondContact O-N 2.8Å; D177-K180 WeakPolarHBondContact OD2-CE 3.45Å; D177-K180 IonicContact OD2-NZ 3.6Å; D177-K180 PolarHBondContact OD2-NZ 3.05Å; M178-K180 PolarHBondContact O-N 3.47Å; K180-K183 PolarHBondContact O-N 3.19Å; K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 2.84Å
181A84.2Confident72.9Confident13 Ų1370.8 Ų70.811%0.10737%0.372CS..Hα-helixtrans-65.1-40.6176.800000111.9L19 Q176 D177 M178 A184 E185L19-A181 HydrophobicContact CD1-CB 4Å; L19-A181 HydrophobicContact CD2-CB 4.49Å; Q176-A181 HydrophobicContact CB-CB 4.31Å; D177-A181 PolarHBondContact O-N 2.99Å; M178-A181 HydrophobicContact CE-CB 4.01Å; M178-A181 PolarHBondContact O-N 3.34Å; A181-A184 PolarHBondContact O-N 3.31Å; A181-E185 WeakPolarHBondContact O-CB 3.13Å; A181-E185 PolarHBondContact O-N 3.37Å
182F85.9Confident75.4Confident2 Ų267 Ų671%0.00935%0.349CS..Hα-helixtrans-62.5-44.5172.5-71.7-28.4000112.6D15 L19 F51 F52 Q55 R57 M178 E185 W186D15-F182 HydrophobicContact CB-CE1 4.28Å; D15-F182 HydrophobicContact CB-CZ 3.75Å; D15-F182 VanDerWaalsContact CG-CZ 3.49Å; D15-F182 WeakPolarHBondContact OD1-CZ 3.42Å; L19-F182 HydrophobicContact CD2-CD1 3.66Å; L19-F182 HydrophobicContact CD2-CE1 4.05Å; L19-F182 HydrophobicContact CG-CD1 4.11Å; L19-F182 HydrophobicContact CG-CE1 3.99Å; F51-F182 HydrophobicContact CE1-CE1 4.06Å; F51-F182 AromaticContact CE1-CZ 3.97Å; F51-F182 HydrophobicContact CE1-CZ 3.97Å; F52-F182 HydrophobicContact CB-CB 4.22Å; F52-F182 HydrophobicContact CD1-CB 3.97Å; F52-F182 AromaticContact CD1-CD1 3.37Å; F52-F182 HydrophobicContact CD1-CD1 3.37Å; F52-F182 AromaticContact CD1-CE1 3.99Å; F52-F182 HydrophobicContact CD1-CE1 3.99Å; F52-F182 AromaticContact CD1-CG 3.85Å; F52-F182 HydrophobicContact CD1-CG 3.85Å; F52-F182 AromaticContact CE1-CD1 3.61Å; F52-F182 HydrophobicContact CE1-CD1 3.61Å; F52-F182 HydrophobicContact CE1-CE1 4.01Å; F52-F182 HydrophobicContact CE1-CG 4.5Å; F52-F182 HydrophobicContact CG-CB 4.42Å; Q55-F182 HydrophobicContact CB-CE2 4.4Å; R57-F182 HydrophobicContact CG-CE2 4.21Å; M178-F182 HydrophobicContact CB-CE2 4.48Å; M178-F182 HydrophobicContact CE-CD1 3.27Å; M178-F182 HydrophobicContact CE-CD2 3.85Å; M178-F182 HydrophobicContact CE-CE1 3.11Å; M178-F182 HydrophobicContact CE-CE2 3.7Å; M178-F182 HydrophobicContact CE-CG 3.65Å; M178-F182 HydrophobicContact CE-CZ 3.34Å; M178-F182 WeakPolarHBondContact O-CB 3.28Å; M178-F182 WeakPolarHBondContact O-CD2 3.48Å; M178-F182 VanDerWaalsContact O-CG 3.28Å; M178-F182 WeakPolarHBondContact O-CG 3.27Å; M178-F182 PolarHBondContact O-N 3.03Å; M178-F182 HydrophobicContact SD-CE1 4.08Å; M178-F182 HydrophobicContact SD-CE2 4.36Å; M178-F182 HydrophobicContact SD-CZ 3.88Å; F182-E185 PolarHBondContact O-N 3.42Å; F182-W186 VanDerWaalsContact O-CB 3.32Å; F182-W186 WeakPolarHBondContact O-CB 3.16Å; F182-W186 PolarHBondContact O-N 3.06Å
183K86.5Confident77.8Confident132 Ų13270.9 Ų70.957%0.57437%0.366SS*.Hα-helixtrans-62.6-45.5176.8-171.6-177176.4-165.70111.6Q179 K180 E185 W186 E187Q179-K183 WeakPolarHBondContact O-CB 3.17Å; Q179-K183 PolarHBondContact O-N 3.48Å; K180-K183 PolarHBondContact O-N 3.19Å; K183-E185 VanDerWaalsContact C-N 3.35Å; K183-E185 PolarHBondContact O-N 3.34Å; K183-W186 PolarHBondContact O-N 3.02Å; K183-E187 WeakPolarHBondContact CE-OE1 3.34Å; K183-E187 IonicContact NZ-OE1 3.8Å; K183-E187 WeakPolarHBondContact O-CG 3.46Å; K183-E187 PolarHBondContact O-N 3.17Å
184A88.5Confident80.1Confident55 Ų5564.3 Ų64.346%0.45534%0.335SS..Hα-helixtrans-62.5-41.8178.700000111.9K180 A181 E187 A188K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 2.84Å; A181-A184 PolarHBondContact O-N 3.31Å; A184-E187 PolarHBondContact O-N 2.96Å; A184-A188 WeakPolarHBondContact O-CB 3.29Å; A184-A188 PolarHBondContact O-N 3.15Å
185E88.6Confident82.2Confident20 Ų2070.2 Ų70.29%0.09336%0.357CS..Hα-helixtrans-73.6-31.9179.1-160.161.3-156.100112.1L19 S22 R26 F52 A181 F182 K183 A188 L189L19-E185 HydrophobicContact CD2-CB 4.02Å; L19-E185 HydrophobicContact CD2-CG 4.4Å; S22-E185 WeakPolarHBondContact OG-CG 3.4Å; R26-E185 IonicContact CZ-OE1 3.17Å; R26-E185 IonicContact NE-OE1 3.1Å; R26-E185 PolarHBondContact NE-OE1 2.84Å; R26-E185 VanDerWaalsContact NE-OE1 3.1Å; R26-E185 IonicContact NH2-OE1 2.68Å; R26-E185 PolarHBondContact NH2-OE1 3.09Å; R26-E185 IonicContact NH2-OE2 3.71Å; F52-E185 HydrophobicContact CE2-CB 4.4Å; F52-E185 HydrophobicContact CE2-CG 4.33Å; F52-E185 HydrophobicContact CZ-CB 4.3Å; F52-E185 HydrophobicContact CZ-CG 4.16Å; A181-E185 WeakPolarHBondContact O-CB 3.13Å; A181-E185 PolarHBondContact O-N 3.37Å; F182-E185 PolarHBondContact O-N 3.42Å; K183-E185 VanDerWaalsContact C-N 3.35Å; K183-E185 PolarHBondContact O-N 3.34Å; E185-A188 PolarHBondContact O-N 3.33Å; E185-L189 VanDerWaalsContact O-CB 3.3Å; E185-L189 WeakPolarHBondContact O-CB 3.39Å; E185-L189 PolarHBondContact O-N 3.08Å
186W88.9Confident84.1Confident62 Ų6271 Ų7124%0.23535%0.348CS..Hα-helixtrans-60-50.7170.5-176.390000111N45 F52 F182 K183 A188 L189 E190N45-W186 PolarHBondContact ND2-O 3.01Å; N45-W186 PolarHBondContact O-NE1 2.88Å; F52-W186 HydrophobicContact CB-CB 4.14Å; F52-W186 HydrophobicContact CD2-CB 4.07Å; F52-W186 HydrophobicContact CG-CB 4.46Å; F182-W186 VanDerWaalsContact O-CB 3.32Å; F182-W186 WeakPolarHBondContact O-CB 3.16Å; F182-W186 PolarHBondContact O-N 3.06Å; K183-W186 PolarHBondContact O-N 3.02Å; W186-A188 VanDerWaalsContact C-N 3.34Å; W186-A188 PolarHBondContact O-N 2.75Å; W186-L189 PolarHBondContact O-N 2.85Å; W186-E190 VanDerWaalsContact CZ2-OE2 3.27Å; W186-E190 WeakPolarHBondContact CZ2-OE2 3.46Å; W186-E190 PolarHBondContact O-N 3.44Å
187E89.6Confident85.6Confident94 Ų9466.7 Ų66.744%0.43933%0.334SS..Hα-helixtrans-61.2-42.5177.5-70175.5-178.300111.4K183 A184 E190 I191K183-E187 WeakPolarHBondContact CE-OE1 3.34Å; K183-E187 IonicContact NZ-OE1 3.8Å; K183-E187 WeakPolarHBondContact O-CG 3.46Å; K183-E187 PolarHBondContact O-N 3.17Å; A184-E187 PolarHBondContact O-N 2.96Å; E187-E190 WeakPolarHBondContact O-CB 2.99Å; E187-E190 PolarHBondContact O-N 3.01Å; E187-I191 WeakPolarHBondContact O-CD1 3.11Å; E187-I191 WeakPolarHBondContact O-CG1 3.49Å
188A91.4Very high86.5Confident28 Ų2869 Ų6923%0.23135%0.345CS..Hα-helixtrans-65-39.917800000112.6A184 E185 W186 V192A184-A188 WeakPolarHBondContact O-CB 3.29Å; A184-A188 PolarHBondContact O-N 3.15Å; E185-A188 PolarHBondContact O-N 3.33Å; W186-A188 VanDerWaalsContact C-N 3.34Å; W186-A188 PolarHBondContact O-N 2.75Å; A188-V192 WeakPolarHBondContact O-CG2 3.16Å
189L89.2Confident86.9Confident0 Ų071 Ų710%037%0.367CS..Hα-helixtrans-73.9-28.6179.2-164.869.4000112L25 R26 K41 F44 N45 E185 W186 I191 V192L25-L189 HydrophobicContact CD2-CD1 4.4Å; L25-L189 HydrophobicContact CD2-CD2 4.37Å; R26-L189 HydrophobicContact CB-CD1 4.03Å; K41-L189 WeakPolarHBondContact CE-O 3.41Å; K41-L189 HydrophobicContact CG-CD2 4.42Å; K41-L189 HydrophobicContact CG-CG 4.31Å; K41-L189 PolarHBondContact NZ-O 3.26Å; F44-L189 HydrophobicContact CB-CD2 3.65Å; F44-L189 HydrophobicContact CD2-CD2 4.27Å; F44-L189 HydrophobicContact CG-CD2 4.28Å; N45-L189 WeakPolarHBondContact OD1-CD2 3.42Å; E185-L189 VanDerWaalsContact O-CB 3.3Å; E185-L189 WeakPolarHBondContact O-CB 3.39Å; E185-L189 PolarHBondContact O-N 3.08Å; W186-L189 PolarHBondContact O-N 2.85Å; L189-I191 VanDerWaalsContact C-N 3.28Å; L189-I191 PolarHBondContact O-N 3.47Å; L189-V192 PolarHBondContact O-N 3.19Å
190E88.2Confident87.2Confident78 Ų7873.1 Ų73.136%0.36438%0.38SS..Hα-helixtrans-58.9-42.6178.5-163.890.5172.400110.6K41 N45 W186 E187 V192K41-E190 PolarHBondContact NZ-O 3.39Å; N45-E190 VanDerWaalsContact ND2-CA 3.34Å; N45-E190 WeakPolarHBondContact ND2-CA 3.14Å; N45-E190 PolarHBondContact ND2-N 2.92Å; N45-E190 PolarHBondContact ND2-OE2 3.39Å; W186-E190 VanDerWaalsContact CZ2-OE2 3.27Å; W186-E190 WeakPolarHBondContact CZ2-OE2 3.46Å; W186-E190 PolarHBondContact O-N 3.44Å; E187-E190 WeakPolarHBondContact O-CB 2.99Å; E187-E190 PolarHBondContact O-N 3.01Å; E190-V192 VanDerWaalsContact C-N 3.29Å; E190-V192 PolarHBondContact O-N 3.36Å
191I89.8Confident87.4Confident144 Ų14469 Ų6974%0.73837%0.368SS*.THydrogen-bonded Turntrans-75.7-18.3-174.3-57.5162.2000112.2E187 L189 D193E187-I191 WeakPolarHBondContact O-CD1 3.11Å; E187-I191 WeakPolarHBondContact O-CG1 3.49Å; L189-I191 VanDerWaalsContact C-N 3.28Å; L189-I191 PolarHBondContact O-N 3.47Å; I191-D193 PolarHBondContact O-N 3.45Å
192V88.2Confident87.5Confident32 Ų3275.6 Ų75.619%0.19440%0.396CS..  trans-80.9123.1-170.31770000111.2R26 F37 K41 A188 L189 E190R26-V192 HydrophobicContact CG-CB 4.42Å; R26-V192 HydrophobicContact CG-CG1 4.35Å; R26-V192 HydrophobicContact CG-CG2 3.44Å; R26-V192 VanDerWaalsContact CG-CG2 3.44Å; F37-V192 HydrophobicContact CZ-CG1 3.97Å; K41-V192 PolarHBondContact NZ-O 3.02Å; A188-V192 WeakPolarHBondContact O-CG2 3.16Å; L189-V192 PolarHBondContact O-N 3.19Å; E190-V192 VanDerWaalsContact C-N 3.29Å; E190-V192 PolarHBondContact O-N 3.36Å
193D86.7Confident87.6Confident141 Ų14179.1 Ų79.175%0.75442%0.418SS*.  trans-98.3150.3172.1-101-27.8000112.9I191 Q195I191-D193 PolarHBondContact O-N 3.45Å; D193-Q195 PolarHBondContact O-N 2.76Å
194H89.9Confident87.7Confident36 Ų3679.2 Ų79.217%0.16742%0.415CS..  trans-81.5110-178.1-176.667.6000111.3G29 L32 A34 F37 W196G29-H194 PolarHBondContact O-CE1 3.48Å; G29-H194 VanDerWaalsContact O-CE1 3.24Å; G29-H194 PolarHBondContact O-ND1 3.06Å; L32-H194 PolarHBondContact O-CE1 3.06Å; L32-H194 PolarHBondContact O-NE2 2.83Å; A34-H194 VanDerWaalsContact CA-CD2 3.47Å; A34-H194 WeakPolarHBondContact CA-CD2 3.33Å; A34-H194 VanDerWaalsContact CB-CD2 3.49Å; A34-H194 WeakPolarHBondContact CB-CD2 3.09Å; A34-H194 PolarHBondContact N-NE2 2.92Å; F37-H194 HydrophobicContact CD1-CB 3.59Å; F37-H194 AromaticContact CD1-CG 4Å; F37-H194 AromaticContact CD1-ND1 3.91Å; F37-H194 HydrophobicContact CE1-CB 3.94Å; F37-H194 HydrophobicContact CG-CB 4.19Å; F37-H194 AromaticContact CG-ND1 3.57Å; H194-W196 AromaticContact NE2-CE3 3.67Å
195Q86Confident87.8Confident159 Ų15981.8 Ų81.874%0.74342%0.421SS*.  trans-100.4109.9167.9-65.7-173.7-3.700109.5R30 D193 A197R30-Q195 VanDerWaalsContact CA-O 3.28Å; R30-Q195 WeakPolarHBondContact CA-O 3.43Å; R30-Q195 WeakPolarHBondContact CB-O 3.36Å; D193-Q195 PolarHBondContact O-N 2.76Å; Q195-A197 PolarHBondContact O-N 2.71Å
196W87.9Confident87.9Confident113 Ų11386.1 Ų86.143%0.42844%0.444SS..  trans-76107.7-177.2-171.8-62.5000110P33 A34 H194 L198P33-W196 VanDerWaalsContact CA-CH2 3.4Å; P33-W196 HydrophobicContact CB-CH2 3.51Å; P33-W196 HydrophobicContact CB-CZ2 4.47Å; P33-W196 HydrophobicContact CB-CZ3 3.65Å; P33-W196 HydrophobicContact CG-CH2 4.05Å; A34-W196 HydrophobicContact CB-CE3 3.93Å; A34-W196 HydrophobicContact CB-CZ3 4.14Å; H194-W196 AromaticContact NE2-CE3 3.67Å; W196-L198 VanDerWaalsContact C-N 3.29Å; W196-L198 VanDerWaalsContact CD1-C 3.4Å; W196-L198 VanDerWaalsContact NE1-CB 3.32Å; W196-L198 PolarHBondContact O-N 2.88Å
197A86.7Confident87.9Confident35 Ų3588.4 Ų88.429%0.28946%0.461SS..THydrogen-bonded Turntrans-74.1-16.9-175.400000114.2R30 F31 Q195 R204R30-A197 HydrophobicContact CB-CB 4.18Å; R30-A197 HydrophobicContact CG-CB 4.25Å; R30-A197 PolarHBondContact O-N 2.98Å; F31-A197 HydrophobicContact CD1-CB 4.4Å; F31-A197 HydrophobicContact CE1-CB 4.37Å; Q195-A197 PolarHBondContact O-N 2.71Å; A197-R204 PolarHBondContact O-NH2 3.18Å
198L85.7Confident87.8Confident78 Ų7895 Ų9541%0.40848%0.481SS..THydrogen-bonded Turntrans-98.813.4-177.9-61.4158.2000113.9W196 D200 C201W196-L198 VanDerWaalsContact C-N 3.29Å; W196-L198 VanDerWaalsContact CD1-C 3.4Å; W196-L198 VanDerWaalsContact NE1-CB 3.32Å; W196-L198 PolarHBondContact O-N 2.88Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 3.2Å; L198-C201 HydrophobicContact CB-CB 4.4Å; L198-C201 HydrophobicContact CD2-CB 4.21Å; L198-C201 PolarHBondContact O-N 2.91Å; L198-C201 PolarHBondContact O-SG 3.05Å
199A82.6Confident87.1Confident70 Ų70100.1 Ų100.158%0.57950%0.504SS*.THydrogen-bonded Turntrans-66.7-38.5-171.900000111.2
200D84.1Confident86Confident106 Ų106106.8 Ų106.857%0.56755%0.551SS**THydrogen-bonded Turntrans-110.735.3177-52.4-57.7000111.5L198 E202 R204L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 3.2Å; D200-E202 VanDerWaalsContact C-N 3.31Å; D200-R204 WeakPolarHBondContact O-CB 3.48Å; D200-R204 WeakPolarHBondContact O-CG 3.43Å; D200-R204 PolarHBondContact O-N 3.46Å; D200-R204 VanDerWaalsContact O-N 3.15Å; D200-R204 PolarHBondContact O-NE 2.97Å
201C86.7Confident85.8Confident52 Ų52108.3 Ų108.335%0.35156%0.56SS.*Hα-helixtrans-64.1-39.4177.762.90000111.6L198 R204 L205L198-C201 HydrophobicContact CB-CB 4.4Å; L198-C201 HydrophobicContact CD2-CB 4.21Å; L198-C201 PolarHBondContact O-N 2.91Å; L198-C201 PolarHBondContact O-SG 3.05Å; C201-R204 PolarHBondContact O-N 3.2Å; C201-L205 VanDerWaalsContact O-CB 3.32Å; C201-L205 WeakPolarHBondContact O-CB 3.24Å; C201-L205 PolarHBondContact O-N 3.07Å
202E86.1Confident85.6Confident150 Ų150106.4 Ų106.470%0.70155%0.551SS**Hα-helixtrans-62.9-51.1180-64.1174.917600111.1D200 R204 L205 L206D200-E202 VanDerWaalsContact C-N 3.31Å; E202-R204 VanDerWaalsContact C-N 3.35Å; E202-R204 PolarHBondContact O-N 3.06Å; E202-L205 PolarHBondContact O-N 3.08Å; E202-L205 VanDerWaalsContact O-N 3.15Å; E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 3.02Å
203T88.5Confident85.5Confident77 Ų77110.5 Ų110.547%0.47257%0.571SS.*Hα-helixtrans-60.8-41.8177.7-44.90000112.1L205 L206 N207T203-L205 VanDerWaalsContact C-N 3.32Å; T203-L205 PolarHBondContact O-N 3.42Å; T203-L206 PolarHBondContact O-N 3.29Å; T203-N207 WeakPolarHBondContact O-CB 3.43Å; T203-N207 VanDerWaalsContact O-CG 3.22Å; T203-N207 PolarHBondContact O-N 3.2Å; T203-N207 PolarHBondContact O-ND2 2.78Å
204R88.4Confident85.4Confident133 Ų133108.7 Ų108.750%0.50256%0.56SS.*Hα-helixtrans-67-33.2176.9-76.8-179.5-66.5167.8-3.3113A197 D200 C201 E202 R208A197-R204 PolarHBondContact O-NH2 3.18Å; D200-R204 WeakPolarHBondContact O-CB 3.48Å; D200-R204 WeakPolarHBondContact O-CG 3.43Å; D200-R204 PolarHBondContact O-N 3.46Å; D200-R204 VanDerWaalsContact O-N 3.15Å; D200-R204 PolarHBondContact O-NE 2.97Å; C201-R204 PolarHBondContact O-N 3.2Å; E202-R204 VanDerWaalsContact C-N 3.35Å; E202-R204 PolarHBondContact O-N 3.06Å; R204-R208 PolarHBondContact O-N 3.39Å
205L90.6Very high85.2Confident110 Ų110113.3 Ų113.358%0.57659%0.585SS**Hα-helixtrans-73.5-43.8178.2-170129.6000110.7C201 E202 T203 R208 L209C201-L205 VanDerWaalsContact O-CB 3.32Å; C201-L205 WeakPolarHBondContact O-CB 3.24Å; C201-L205 PolarHBondContact O-N 3.07Å; E202-L205 PolarHBondContact O-N 3.08Å; E202-L205 VanDerWaalsContact O-N 3.15Å; T203-L205 VanDerWaalsContact C-N 3.32Å; T203-L205 PolarHBondContact O-N 3.42Å; L205-R208 PolarHBondContact O-N 2.88Å; L205-L209 HydrophobicContact CD2-CD1 3.65Å; L205-L209 HydrophobicContact CG-CD1 4.29Å; L205-L209 WeakPolarHBondContact O-CG 3.12Å; L205-L209 PolarHBondContact O-N 2.72Å
206L90.7Very high85.1Confident111 Ų111110.2 Ų110.258%0.58157%0.574SS**Hα-helixtrans-60.6-45.3174.7-70.9170.7000111.7E202 T203 R208 L209 S210E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 3.02Å; T203-L206 PolarHBondContact O-N 3.29Å; L206-R208 PolarHBondContact O-N 3.15Å; L206-L209 PolarHBondContact O-N 3.43Å; L206-S210 PolarHBondContact O-N 2.99Å; L206-S210 PolarHBondContact O-OG 3.48Å
207N90.3Very high84.9Confident110 Ų110110 Ų11059%0.58858%0.584SS**Hα-helixtrans-65.3-17.1177.7-73.3-12.5000114.4T203T203-N207 WeakPolarHBondContact O-CB 3.43Å; T203-N207 VanDerWaalsContact O-CG 3.22Å; T203-N207 PolarHBondContact O-N 3.2Å; T203-N207 PolarHBondContact O-ND2 2.78Å
208R85.9Confident84.8Confident231 Ų231115.8 Ų115.887%0.87261%0.607SS**Hα-helixtrans-87.1-21.8172.1-87.3-150-159.6-165.97.5113.2R204 L205 L206R204-R208 PolarHBondContact O-N 3.39Å; L205-R208 PolarHBondContact O-N 2.88Å; L206-R208 PolarHBondContact O-N 3.15Å
209L77.9Confident84.7Confident137 Ų137118.9 Ų118.972%0.71762%0.624SS**Hα-helixtrans-95.6-20.8-176-71.3167.8000112.4L205 L206L205-L209 HydrophobicContact CD2-CD1 3.65Å; L205-L209 HydrophobicContact CG-CD1 4.29Å; L205-L209 WeakPolarHBondContact O-CG 3.12Å; L205-L209 PolarHBondContact O-N 2.72Å; L206-L209 PolarHBondContact O-N 3.43Å
210S64.6Low84.9Confident140 Ų140123.4 Ų123.498%0.97963%0.628SS**  trans-80.60167.163.20000111.8L206L206-S210 PolarHBondContact O-N 2.99Å; L206-S210 PolarHBondContact O-OG 3.48Å

Retrieved 210 of 210 residues in 103.2 ms (Link to these results)

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