A0A5K4FGA5_SCHMA Loading...

Glycosylphosphatidylinositol anchor attachment 1 protein

AlphaFold DB , UniProt , Accession A0A5K4FGA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 714 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
1M47.8Very low62.8Low201 Ų201124.7 Ų124.799%0.9959%0.593SS**  0-89.60-74.4179.2170.600113.4V3 Y4 N5M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.36Å; M1-Y4 WeakPolarHBondContact O-CA 3.45Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.26Å; M1-N5 VanDerWaalsContact C-OD1 3.25Å; M1-N5 PolarHBondContact O-N 3.44Å; M1-N5 PolarHBondContact O-OD1 3.3Å
2Q45Very low63.7Low173 Ų173122.3 Ų122.381%0.80858%0.578SS**Hα-helixtrans-43.4-41.6-161.9-72.5-169.1-1.800118.3K6Q2-K6 PolarHBondContact O-N 2.88Å
3V51.8Low64.8Low110 Ų110123.2 Ų123.267%0.66757%0.574SS**Hα-helixtrans-67.4-35.4177178.80000112.4M1 K6 K7M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.36Å; V3-K6 PolarHBondContact O-N 3.37Å; V3-K7 PolarHBondContact O-N 2.78Å; V3-K7 VanDerWaalsContact O-N 3.15Å
4Y54.5Low65.7Low167 Ų167117.8 Ų117.866%0.65555%0.55SS**Hα-helixtrans-64.8-52.7176.8-139.5-101.9000110.5M1 K6 K7 E8M1-Y4 WeakPolarHBondContact O-CA 3.45Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.26Å; Y4-K6 PolarHBondContact O-N 3.31Å; Y4-K6 VanDerWaalsContact O-N 3.1Å; Y4-K7 PolarHBondContact O-N 3.14Å; Y4-E8 PolarHBondContact O-N 3.49Å
5N59.8Low66.3Low75 Ų75111.2 Ų111.240%0.40152%0.52SS..Hα-helixtrans-59.9-23.9176.2-55.968.2000113M1 K9M1-N5 VanDerWaalsContact C-OD1 3.25Å; M1-N5 PolarHBondContact O-N 3.44Å; M1-N5 PolarHBondContact O-OD1 3.3Å; N5-K9 WeakPolarHBondContact O-CB 3.32Å; N5-K9 WeakPolarHBondContact O-CG 3.49Å; N5-K9 PolarHBondContact O-N 3.03Å
6K67.1Low66.9Low164 Ų164109.5 Ų109.571%0.71352%0.515SS*.Hα-helixtrans-74.1-45170.5-83.5-170.9175.9-1770112.5Q2 V3 Y4 C10Q2-K6 PolarHBondContact O-N 2.88Å; V3-K6 PolarHBondContact O-N 3.37Å; Y4-K6 PolarHBondContact O-N 3.31Å; Y4-K6 VanDerWaalsContact O-N 3.1Å; K6-C10 WeakPolarHBondContact O-CB 3.39Å; K6-C10 PolarHBondContact O-N 2.88Å
7K70.7Confident67.8Low132 Ų132106.9 Ų106.957%0.57450%0.503SS*.Hα-helixtrans-60.6-49.4175.7-74.3-173.3174.7-174.20111.2V3 Y4 K9 C10 F11V3-K7 PolarHBondContact O-N 2.78Å; V3-K7 VanDerWaalsContact O-N 3.15Å; Y4-K7 PolarHBondContact O-N 3.14Å; K7-K9 PolarHBondContact O-N 2.64Å; K7-C10 WeakPolarHBondContact O-CA 3.28Å; K7-C10 WeakPolarHBondContact O-CB 3.38Å; K7-C10 PolarHBondContact O-N 3.13Å; K7-F11 HydrophobicContact CB-CE2 4.4Å; K7-F11 WeakPolarHBondContact O-CD2 3.47Å; K7-F11 PolarHBondContact O-N 2.91Å
8E70.8Confident68.7Low62 Ų62101.7 Ų101.729%0.2948%0.48SS..Hα-helixtrans-60.1-46.2-178.7-167.3-143.2138.800112.1Y4 C10 F11 K12Y4-E8 PolarHBondContact O-N 3.49Å; E8-C10 VanDerWaalsContact C-N 3.29Å; E8-C10 PolarHBondContact O-N 3.48Å; E8-F11 PolarHBondContact O-N 3.25Å; E8-K12 HydrophobicContact CG-CD 4.46Å; E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.18Å; E8-K12 WeakPolarHBondContact OE1-CE 3.48Å; E8-K12 IonicContact OE1-NZ 3.8Å; E8-K12 PolarHBondContact OE1-NZ 3.34Å
9K73.8Confident69.5Low154 Ų15498.7 Ų98.767%0.6747%0.469SS*.Hα-helixtrans-61.4-34.9172.4-77.1178.7177.9-1740113N5 K7 Y13N5-K9 WeakPolarHBondContact O-CB 3.32Å; N5-K9 WeakPolarHBondContact O-CG 3.49Å; N5-K9 PolarHBondContact O-N 3.03Å; K7-K9 PolarHBondContact O-N 2.64Å; K9-Y13 WeakPolarHBondContact O-CB 3.31Å; K9-Y13 PolarHBondContact O-N 3.12Å
10C74.1Confident70.4Confident70 Ų7098.3 Ų98.347%0.47347%0.469SS..Hα-helixtrans-67.9-47.6176.2-1690000111.2K6 K7 E8 K12 Y13 I14K6-C10 WeakPolarHBondContact O-CB 3.39Å; K6-C10 PolarHBondContact O-N 2.88Å; K7-C10 WeakPolarHBondContact O-CA 3.28Å; K7-C10 WeakPolarHBondContact O-CB 3.38Å; K7-C10 PolarHBondContact O-N 3.13Å; E8-C10 VanDerWaalsContact C-N 3.29Å; E8-C10 PolarHBondContact O-N 3.48Å; C10-K12 PolarHBondContact O-N 2.96Å; C10-Y13 PolarHBondContact O-N 3.36Å; C10-I14 VanDerWaalsContact O-CG1 3.29Å; C10-I14 WeakPolarHBondContact O-CG1 3.48Å; C10-I14 PolarHBondContact O-N 3.2Å
11F75.9Confident71.4Confident64 Ų6496.8 Ų96.828%0.28146%0.461SS..Hα-helixtrans-59.5-46.5174.4-72.7-62.9000111.9K7 E8 Y13 I14 E15 L390 I393 F394K7-F11 HydrophobicContact CB-CE2 4.4Å; K7-F11 WeakPolarHBondContact O-CD2 3.47Å; K7-F11 PolarHBondContact O-N 2.91Å; E8-F11 PolarHBondContact O-N 3.25Å; F11-Y13 VanDerWaalsContact C-N 3.29Å; F11-Y13 PolarHBondContact O-N 3.23Å; F11-I14 PolarHBondContact O-N 3.01Å; F11-I14 VanDerWaalsContact O-N 3.16Å; F11-E15 PolarHBondContact O-N 3.42Å; F11-L390 HydrophobicContact CD1-CD2 4.04Å; F11-I393 HydrophobicContact CE1-CD1 4.1Å; F11-F394 HydrophobicContact CB-CE1 4.22Å; F11-F394 HydrophobicContact CB-CE2 4.45Å; F11-F394 HydrophobicContact CB-CZ 3.66Å
12K73.2Confident73.4Confident96 Ų9687.2 Ų87.242%0.41741%0.414SS..Hα-helixtrans-63-33.6177.4-72.8176.5174.8172.30112.3E8 C10 N16 F394E8-K12 HydrophobicContact CG-CD 4.46Å; E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.18Å; E8-K12 WeakPolarHBondContact OE1-CE 3.48Å; E8-K12 IonicContact OE1-NZ 3.8Å; E8-K12 PolarHBondContact OE1-NZ 3.34Å; C10-K12 PolarHBondContact O-N 2.96Å; K12-N16 PolarHBondContact O-N 3.19Å; K12-N16 PolarHBondContact O-ND2 3.11Å; K12-F394 HydrophobicContact CG-CE1 3.82Å; K12-F394 HydrophobicContact CG-CZ 3.93Å
13Y78.5Confident75.6Confident133 Ų13381.6 Ų81.652%0.52239%0.387SS..Hα-helixtrans-68.2-43.1171.8179.6-91.8000112.9K9 C10 F11 E15 H17 F21K9-Y13 WeakPolarHBondContact O-CB 3.31Å; K9-Y13 PolarHBondContact O-N 3.12Å; C10-Y13 PolarHBondContact O-N 3.36Å; F11-Y13 VanDerWaalsContact C-N 3.29Å; F11-Y13 PolarHBondContact O-N 3.23Å; Y13-E15 VanDerWaalsContact C-N 3.34Å; Y13-H17 AromaticContact CD2-CE1 3.78Å; Y13-H17 AromaticContact CD2-ND1 3.87Å; Y13-H17 AromaticContact CE1-ND1 3.94Å; Y13-H17 AromaticContact CE2-CE1 3.29Å; Y13-H17 WeakPolarHBondContact CE2-CE1 2.99Å; Y13-H17 AromaticContact CE2-ND1 3.6Å; Y13-H17 AromaticContact CZ-CE1 3.64Å; Y13-H17 AromaticContact CZ-ND1 3.63Å; Y13-H17 PolarHBondContact O-N 2.76Å; Y13-H17 PolarHBondContact O-ND1 3.4Å; Y13-F21 HydrophobicContact CE1-CE2 4.41Å; Y13-F21 HydrophobicContact CE1-CZ 4.36Å
14I76.4Confident77.6Confident48 Ų4880.6 Ų80.625%0.24638%0.377CS..Hα-helixtrans-64.8-39.6177.3-65.1163.9000110.4C10 F11 H17 S18 F21 L390C10-I14 VanDerWaalsContact O-CG1 3.29Å; C10-I14 WeakPolarHBondContact O-CG1 3.48Å; C10-I14 PolarHBondContact O-N 3.2Å; F11-I14 PolarHBondContact O-N 3.01Å; F11-I14 VanDerWaalsContact O-N 3.16Å; I14-H17 CarbonylContact O-C 3.6Å; I14-H17 PolarHBondContact O-N 2.87Å; I14-S18 VanDerWaalsContact O-CA 3.29Å; I14-S18 WeakPolarHBondContact O-CA 3.45Å; I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 3.49Å; I14-F21 HydrophobicContact CG1-CE2 4.46Å; I14-F21 HydrophobicContact CG2-CD2 4.17Å; I14-F21 HydrophobicContact CG2-CE2 4.46Å; I14-L390 HydrophobicContact CG2-CD1 3.83Å; I14-L390 HydrophobicContact CG2-CD2 4.19Å
15E75.6Confident79.5Confident19 Ų1975 Ų759%0.08936%0.359CS..Hα-helixtrans-62.4-48.6177.1-170.9172.3-137.800112.3F11 Y13 H17 S18 F394 R617F11-E15 PolarHBondContact O-N 3.42Å; Y13-E15 VanDerWaalsContact C-N 3.34Å; E15-H17 PolarHBondContact O-N 3.44Å; E15-H17 VanDerWaalsContact O-N 3.1Å; E15-S18 WeakPolarHBondContact O-CB 3.44Å; E15-S18 PolarHBondContact O-N 3.32Å; E15-S18 PolarHBondContact O-OG 3.13Å; E15-F394 HydrophobicContact CB-CE2 3.84Å; E15-F394 HydrophobicContact CB-CZ 4.35Å; E15-F394 HydrophobicContact CG-CE2 4.1Å; E15-F394 WeakPolarHBondContact OE1-CD2 3.27Å; E15-F394 VanDerWaalsContact OE2-CE2 3.29Å; E15-F394 WeakPolarHBondContact OE2-CE2 3.32Å; E15-R617 VanDerWaalsContact CD-CD 3.45Å; E15-R617 WeakPolarHBondContact OE1-CD 3.15Å; E15-R617 IonicContact OE1-CZ 2.73Å; E15-R617 IonicContact OE1-NE 3.55Å; E15-R617 IonicContact OE1-NH1 3.76Å; E15-R617 PolarHBondContact OE1-NH1 2.88Å; E15-R617 IonicContact OE2-CZ 2.95Å; E15-R617 IonicContact OE2-NE 2.89Å; E15-R617 IonicContact OE2-NH1 3.27Å; E15-R617 PolarHBondContact OE2-NH1 2.88Å; E15-R617 VanDerWaalsContact OE2-NH1 3.12Å
16N75.2Confident81.2Confident84 Ų8472.2 Ų72.245%0.44934%0.342SS..Hα-helixtrans-57.3-25.9176.6-72.4-18.4000113.3K12K12-N16 PolarHBondContact O-N 3.19Å; K12-N16 PolarHBondContact O-ND2 3.11Å
17H82.5Confident82.6Confident66 Ų6668 Ų6831%0.30633%0.327SS..THydrogen-bonded Turntrans-112.914.6178.6-58.388.3000112.9Y13 I14 E15 T19 L20 F21Y13-H17 AromaticContact CD2-CE1 3.78Å; Y13-H17 AromaticContact CD2-ND1 3.87Å; Y13-H17 AromaticContact CE1-ND1 3.94Å; Y13-H17 AromaticContact CE2-CE1 3.29Å; Y13-H17 WeakPolarHBondContact CE2-CE1 2.99Å; Y13-H17 AromaticContact CE2-ND1 3.6Å; Y13-H17 AromaticContact CZ-CE1 3.64Å; Y13-H17 AromaticContact CZ-ND1 3.63Å; Y13-H17 PolarHBondContact O-N 2.76Å; Y13-H17 PolarHBondContact O-ND1 3.4Å; I14-H17 CarbonylContact O-C 3.6Å; I14-H17 PolarHBondContact O-N 2.87Å; E15-H17 PolarHBondContact O-N 3.44Å; E15-H17 VanDerWaalsContact O-N 3.1Å; H17-T19 VanDerWaalsContact C-N 3.26Å; H17-T19 PolarHBondContact O-N 3.33Å; H17-L20 WeakPolarHBondContact O-CA 3.28Å; H17-L20 WeakPolarHBondContact O-CB 3.24Å; H17-L20 PolarHBondContact O-N 2.94Å; H17-F21 HydrophobicContact CB-CD2 3.84Å; H17-F21 HydrophobicContact CB-CE2 3.65Å; H17-F21 WeakPolarHBondContact O-CD2 3.31Å; H17-F21 PolarHBondContact O-N 3.18Å
18S84.5Confident83.9Confident13 Ų1365.6 Ų65.69%0.09132%0.324CS..Hα-helixtrans-62.6-30.4-17156.40000113.7I14 E15 G22I14-S18 VanDerWaalsContact O-CA 3.29Å; I14-S18 WeakPolarHBondContact O-CA 3.45Å; I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 3.49Å; E15-S18 WeakPolarHBondContact O-CB 3.44Å; E15-S18 PolarHBondContact O-N 3.32Å; E15-S18 PolarHBondContact O-OG 3.13Å; S18-G22 PolarHBondContact O-N 2.79Å
19T84.2Confident85.1Confident44 Ų4462.7 Ų62.727%0.2731%0.31SS..Hα-helixtrans-61.7-49.2169.5480000111.7H17 G22 F23 Q616H17-T19 VanDerWaalsContact C-N 3.26Å; H17-T19 PolarHBondContact O-N 3.33Å; T19-G22 PolarHBondContact O-N 2.69Å; T19-F23 WeakPolarHBondContact O-CD2 3.46Å; T19-F23 PolarHBondContact O-N 2.81Å; T19-Q616 HydrophobicContact CG2-CG 4.15Å
20L87.6Confident86.2Confident90 Ų9057 Ų5747%0.47129%0.287SS..Hα-helixtrans-66.1-42.5179.9-176.9152.2000111.2H17 F23 L24H17-L20 WeakPolarHBondContact O-CA 3.28Å; H17-L20 WeakPolarHBondContact O-CB 3.24Å; H17-L20 PolarHBondContact O-N 2.94Å; L20-F23 PolarHBondContact O-N 3.46Å; L20-L24 HydrophobicContact CD2-CD1 3.62Å; L20-L24 HydrophobicContact CD2-CG 4.2Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.37Å
21F89.6Confident87.3Confident68 Ų6858.4 Ų58.430%0.29829%0.288SS..Hα-helixtrans-65-39.8174.9-72.9-58.3000112.7Y13 I14 H17 L24 L25 L386Y13-F21 HydrophobicContact CE1-CE2 4.41Å; Y13-F21 HydrophobicContact CE1-CZ 4.36Å; I14-F21 HydrophobicContact CG1-CE2 4.46Å; I14-F21 HydrophobicContact CG2-CD2 4.17Å; I14-F21 HydrophobicContact CG2-CE2 4.46Å; H17-F21 HydrophobicContact CB-CD2 3.84Å; H17-F21 HydrophobicContact CB-CE2 3.65Å; H17-F21 WeakPolarHBondContact O-CD2 3.31Å; H17-F21 PolarHBondContact O-N 3.18Å; F21-L24 PolarHBondContact O-N 2.88Å; F21-L25 WeakPolarHBondContact O-CG 3.44Å; F21-L25 PolarHBondContact O-N 3.43Å; F21-L386 HydrophobicContact CB-CD1 4.12Å
22G90.3Very high88.3Confident0 Ų059.8 Ų59.80%029%0.292CS..Hα-helixtrans-59-46.4171.300000112.2S18 T19 L24 L25 Y26 S383S18-G22 PolarHBondContact O-N 2.79Å; T19-G22 PolarHBondContact O-N 2.69Å; G22-L24 PolarHBondContact O-N 2.78Å; G22-L25 PolarHBondContact O-N 2.76Å; G22-Y26 WeakPolarHBondContact O-CB 3.26Å; G22-Y26 PolarHBondContact O-N 2.87Å; G22-S383 WeakPolarHBondContact O-CB 3.27Å
23F91Very high89.4Confident55 Ų5555.7 Ų55.724%0.24127%0.274CS..Hα-helixtrans-61.6-40.6175.2-97.1-81.5000113.7T19 L20 Y26 L27 P609 N612 L613T19-F23 WeakPolarHBondContact O-CD2 3.46Å; T19-F23 PolarHBondContact O-N 2.81Å; L20-F23 PolarHBondContact O-N 3.46Å; F23-Y26 PolarHBondContact O-N 3.38Å; F23-L27 WeakPolarHBondContact O-CB 3.46Å; F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 3.31Å; F23-P609 HydrophobicContact CE1-CB 3.56Å; F23-P609 HydrophobicContact CZ-CB 3.74Å; F23-P609 WeakPolarHBondContact CZ-O 3.11Å; F23-N612 HydrophobicContact CD2-CB 4.01Å; F23-N612 HydrophobicContact CE2-CB 3.74Å; F23-N612 HydrophobicContact CZ-CB 4.43Å; F23-L613 HydrophobicContact CE2-CD2 3.59Å; F23-L613 HydrophobicContact CE2-CG 3.61Å; F23-L613 HydrophobicContact CZ-CD1 4.17Å; F23-L613 HydrophobicContact CZ-CD2 3.96Å; F23-L613 HydrophobicContact CZ-CG 3.66Å
24L93.8Very high90.2Very high89 Ų8951.1 Ų51.147%0.46626%0.261SS..Hα-helixtrans-65.3-43175.7-72.6177.6000111.8L20 F21 G22 L27 V28L20-L24 HydrophobicContact CD2-CD1 3.62Å; L20-L24 HydrophobicContact CD2-CG 4.2Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.37Å; F21-L24 PolarHBondContact O-N 2.88Å; G22-L24 PolarHBondContact O-N 2.78Å; L24-L27 PolarHBondContact O-N 3.03Å; L24-V28 WeakPolarHBondContact O-CB 3.41Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.38Å
25L94.8Very high91.1Very high50 Ų5052.6 Ų52.626%0.26227%0.269SS..Hα-helixtrans-60.9-46.5175.1-73.5170.2000111.7F21 G22 L27 V28 G29 I379 L386F21-L25 WeakPolarHBondContact O-CG 3.44Å; F21-L25 PolarHBondContact O-N 3.43Å; G22-L25 PolarHBondContact O-N 2.76Å; L25-L27 PolarHBondContact O-N 2.64Å; L25-V28 PolarHBondContact O-N 3.31Å; L25-G29 PolarHBondContact O-N 3.25Å; L25-I379 HydrophobicContact CD2-CG2 4.35Å; L25-I379 WeakPolarHBondContact O-CG2 3.36Å; L25-L386 HydrophobicContact CD1-CD1 3.67Å
26Y95.9Very high92.1Very high15 Ų1551.7 Ų51.76%0.05927%0.265CS..Hα-helixtrans-57.5-48.1175.4168.3-104.9000112.1G22 F23 G29 L30 M380 I605 V608 P609G22-Y26 WeakPolarHBondContact O-CB 3.26Å; G22-Y26 PolarHBondContact O-N 2.87Å; F23-Y26 PolarHBondContact O-N 3.38Å; Y26-G29 PolarHBondContact O-N 2.82Å; Y26-L30 HydrophobicContact CE1-CD2 4.3Å; Y26-L30 WeakPolarHBondContact O-CB 3.4Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-M380 HydrophobicContact CD2-CB 4.41Å; Y26-M380 HydrophobicContact CD2-CE 4.42Å; Y26-M380 HydrophobicContact CD2-CG 4.42Å; Y26-M380 HydrophobicContact CE2-CE 3.93Å; Y26-I605 WeakPolarHBondContact OH-CA 3.35Å; Y26-I605 PolarHBondContact OH-O 3.23Å; Y26-V608 HydrophobicContact CD2-CB 3.83Å; Y26-V608 HydrophobicContact CD2-CG1 3.45Å; Y26-V608 VanDerWaalsContact CD2-CG1 3.45Å; Y26-V608 HydrophobicContact CE2-CB 4.03Å; Y26-V608 HydrophobicContact CE2-CG1 4.16Å; Y26-V608 HydrophobicContact CG-CG1 3.95Å; Y26-P609 HydrophobicContact CE1-CB 4.25Å; Y26-P609 HydrophobicContact CE1-CG 4.2Å
27L96.6Very high93Very high77 Ų7747.7 Ų47.740%0.40324%0.243SC..Hα-helixtrans-66.3-40.8178.9-73.3171.8000112.6F23 L24 L25 L30 I31F23-L27 WeakPolarHBondContact O-CB 3.46Å; F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 3.31Å; L24-L27 PolarHBondContact O-N 3.03Å; L25-L27 PolarHBondContact O-N 2.64Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-I31 VanDerWaalsContact O-CB 3.26Å; L27-I31 WeakPolarHBondContact O-CB 3.49Å; L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.18Å
28V97.3Very high93.5Very high81 Ų8145.6 Ų45.649%0.49123%0.234SC..Hα-helixtrans-62.3-45.6176.2166.30000110.8L24 L25 W32L24-V28 WeakPolarHBondContact O-CB 3.41Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.38Å; L25-V28 PolarHBondContact O-N 3.31Å; V28-W32 VanDerWaalsContact O-CB 3.24Å; V28-W32 WeakPolarHBondContact O-CB 3.41Å; V28-W32 PolarHBondContact O-N 3.46Å
29G96.7Very high93.8Very high0 Ų046.7 Ų46.70%024%0.239CC..Hα-helixtrans-62.6-46.3176.300000112.5L25 Y26 W32 F33 P376L25-G29 PolarHBondContact O-N 3.25Å; Y26-G29 PolarHBondContact O-N 2.82Å; G29-W32 PolarHBondContact O-N 3.21Å; G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 3.14Å; G29-P376 WeakPolarHBondContact CA-O 3.44Å; G29-P376 WeakPolarHBondContact O-CB 3.49Å
30L96.7Very high94.2Very high36 Ų3650.5 Ų50.519%0.18825%0.253CS..Hα-helixtrans-64.3-45178.8-177.666.8000112.5Y26 L27 F33 C34 M380 I605Y26-L30 HydrophobicContact CE1-CD2 4.3Å; Y26-L30 WeakPolarHBondContact O-CB 3.4Å; Y26-L30 PolarHBondContact O-N 3.25Å; L27-L30 PolarHBondContact O-N 3.41Å; L30-F33 PolarHBondContact O-N 3.14Å; L30-C34 PolarHBondContact O-N 3.06Å; L30-C34 PolarHBondContact O-SG 3.32Å; L30-M380 HydrophobicContact CB-SD 4.31Å; L30-M380 HydrophobicContact CD1-CE 4.09Å; L30-M380 HydrophobicContact CD1-SD 4.42Å; L30-I605 HydrophobicContact CD1-CD1 4.31Å; L30-I605 HydrophobicContact CD1-CG1 4Å
31I96.6Very high94.4Very high98 Ų9849.9 Ų49.950%0.50325%0.25SS..Hα-helixtrans-65.5-44.4178.8-69.5166.5000110.1L27 C34 L35L27-I31 VanDerWaalsContact O-CB 3.26Å; L27-I31 WeakPolarHBondContact O-CB 3.49Å; L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.18Å; I31-C34 PolarHBondContact O-N 3.32Å; I31-L35 HydrophobicContact CG2-CD1 3.84Å; I31-L35 HydrophobicContact CG2-CG 4.38Å; I31-L35 WeakPolarHBondContact O-CB 3.09Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.2Å
32W97Very high94.6Very high94 Ų9447.1 Ų47.136%0.35624%0.238SC..Hα-helixtrans-60.7-45.8175.1-179.67.2000110.9V28 G29 C34 L35 L36 P375 P376 I379V28-W32 VanDerWaalsContact O-CB 3.24Å; V28-W32 WeakPolarHBondContact O-CB 3.41Å; V28-W32 PolarHBondContact O-N 3.46Å; G29-W32 PolarHBondContact O-N 3.21Å; W32-C34 PolarHBondContact O-N 2.94Å; W32-L35 WeakPolarHBondContact O-CB 3.44Å; W32-L35 PolarHBondContact O-N 3.42Å; W32-L36 WeakPolarHBondContact O-CG 3.25Å; W32-L36 PolarHBondContact O-N 3.06Å; W32-P375 HydrophobicContact CH2-CB 3.77Å; W32-P375 HydrophobicContact CZ2-CB 4.2Å; W32-P375 HydrophobicContact CZ3-CB 4.32Å; W32-P376 HydrophobicContact CB-CB 3.94Å; W32-P376 HydrophobicContact CD2-CB 3.85Å; W32-P376 HydrophobicContact CD2-CG 4.2Å; W32-P376 HydrophobicContact CE3-CB 4.09Å; W32-P376 HydrophobicContact CG-CB 3.82Å; W32-P376 HydrophobicContact CG-CG 4.22Å; W32-I379 HydrophobicContact CE3-CD1 3.91Å; W32-I379 HydrophobicContact CZ3-CD1 3.48Å; W32-I379 VanDerWaalsContact CZ3-CD1 3.48Å
33F96.9Very high94.8Very high10 Ų1052.7 Ų52.74%0.04426%0.26CS..Hα-helixtrans-55.5-48.7176.4-173.1-93000112.2G29 L30 L35 L36 L286 V290 F360 P376 V377 V601G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 3.14Å; L30-F33 PolarHBondContact O-N 3.14Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.3Å; F33-L36 HydrophobicContact CD2-CD1 4.46Å; F33-L36 WeakPolarHBondContact O-CB 3.47Å; F33-L36 WeakPolarHBondContact O-CG 3.43Å; F33-L36 PolarHBondContact O-N 3.12Å; F33-L286 HydrophobicContact CE1-CD1 4.5Å; F33-L286 HydrophobicContact CE1-CD2 4.36Å; F33-L286 HydrophobicContact CE1-CG 4.38Å; F33-L286 HydrophobicContact CZ-CD1 4.46Å; F33-L286 WeakPolarHBondContact O-CD2 3.35Å; F33-V290 HydrophobicContact CE1-CG2 3.9Å; F33-V290 HydrophobicContact CZ-CG2 3.7Å; F33-F360 HydrophobicContact CE2-CE2 4.18Å; F33-F360 HydrophobicContact CZ-CE2 4.04Å; F33-F360 HydrophobicContact CZ-CZ 4.31Å; F33-P376 HydrophobicContact CB-CB 4.11Å; F33-P376 HydrophobicContact CB-CG 4.33Å; F33-P376 HydrophobicContact CD2-CG 4.33Å; F33-V377 HydrophobicContact CD2-CG2 3.57Å; F33-V377 HydrophobicContact CE2-CG2 3.75Å; F33-V601 HydrophobicContact CE1-CG1 4.26Å; F33-V601 HydrophobicContact CE2-CG2 4.27Å; F33-V601 HydrophobicContact CZ-CG2 4.31Å
34C95.6Very high95Very high36 Ų3657 Ų5724%0.24328%0.279CS..Hα-helixtrans-62.3-36176-68.90000112.9L30 I31 W32 L36 S37 M283L30-C34 PolarHBondContact O-N 3.06Å; L30-C34 PolarHBondContact O-SG 3.32Å; I31-C34 PolarHBondContact O-N 3.32Å; W32-C34 PolarHBondContact O-N 2.94Å; C34-L36 PolarHBondContact O-N 2.89Å; C34-S37 WeakPolarHBondContact O-CB 3.3Å; C34-S37 PolarHBondContact O-N 3.29Å; C34-S37 PolarHBondContact O-OG 2.93Å; C34-M283 HydrophobicContact CB-CG 4.48Å; C34-M283 HydrophobicContact CB-SD 4.34Å
35L95.6Very high95Very high79 Ų7953.3 Ų53.341%0.41426%0.26SS..Hα-helixtrans-69.2-14.7177.3-73170.9000113.8I31 W32 F33 S37 Q38 L41I31-L35 HydrophobicContact CG2-CD1 3.84Å; I31-L35 HydrophobicContact CG2-CG 4.38Å; I31-L35 WeakPolarHBondContact O-CB 3.09Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.2Å; W32-L35 WeakPolarHBondContact O-CB 3.44Å; W32-L35 PolarHBondContact O-N 3.42Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.3Å; L35-S37 PolarHBondContact O-N 2.69Å; L35-S37 VanDerWaalsContact O-N 3.15Å; L35-Q38 HydrophobicContact CD2-CG 4.08Å; L35-Q38 VanDerWaalsContact O-CB 3.27Å; L35-Q38 WeakPolarHBondContact O-CB 3.42Å; L35-Q38 VanDerWaalsContact O-CG 3.24Å; L35-Q38 WeakPolarHBondContact O-CG 3.33Å; L35-Q38 PolarHBondContact O-N 3.21Å; L35-L41 HydrophobicContact CB-CD1 3.89Å
36L96.3Very high94.8Very high1 Ų156 Ų561%0.00527%0.267CS..THydrogen-bonded Turntrans-64.1-16.8173.1-57.6-175.9000113.2W32 F33 C34 Q38 L41 N42 L286 I368 V372 P376W32-L36 WeakPolarHBondContact O-CG 3.25Å; W32-L36 PolarHBondContact O-N 3.06Å; F33-L36 HydrophobicContact CD2-CD1 4.46Å; F33-L36 WeakPolarHBondContact O-CB 3.47Å; F33-L36 WeakPolarHBondContact O-CG 3.43Å; F33-L36 PolarHBondContact O-N 3.12Å; C34-L36 PolarHBondContact O-N 2.89Å; L36-Q38 PolarHBondContact O-N 2.91Å; L36-L41 HydrophobicContact CD2-CB 4.23Å; L36-N42 WeakPolarHBondContact O-CB 3.49Å; L36-N42 PolarHBondContact O-ND2 2.97Å; L36-L286 HydrophobicContact CB-CD2 4.48Å; L36-I368 HydrophobicContact CB-CD1 3.82Å; L36-I368 HydrophobicContact CB-CG1 4.29Å; L36-I368 HydrophobicContact CB-CG2 4.15Å; L36-I368 HydrophobicContact CD1-CG2 3.97Å; L36-I368 VanDerWaalsContact O-CD1 3.32Å; L36-I368 WeakPolarHBondContact O-CD1 3.44Å; L36-I368 WeakPolarHBondContact O-CG1 3.34Å; L36-V372 HydrophobicContact CD1-CG1 4.25Å; L36-V372 HydrophobicContact CD2-CG1 3.71Å; L36-P376 HydrophobicContact CD1-CG 4.02Å
37S93.8Very high94.6Very high0 Ų057.3 Ų57.30%027%0.274CS..THydrogen-bonded Turntrans-63.1-19.9169.559.50000114C34 L35 N42C34-S37 WeakPolarHBondContact O-CB 3.3Å; C34-S37 PolarHBondContact O-N 3.29Å; C34-S37 PolarHBondContact O-OG 2.93Å; L35-S37 PolarHBondContact O-N 2.69Å; L35-S37 VanDerWaalsContact O-N 3.15Å; S37-N42 VanDerWaalsContact C-ND2 3.28Å; S37-N42 PolarHBondContact O-ND2 3.5Å; S37-N42 VanDerWaalsContact O-ND2 3.1Å
38Q92.6Very high94.2Very high22 Ų2254.2 Ų54.210%0.10326%0.259CS..SBendtrans-83.2145.5-170.2-54.2-59.3-70.200112.8L35 L36 E40 L41 N42 R279L35-Q38 HydrophobicContact CD2-CG 4.08Å; L35-Q38 VanDerWaalsContact O-CB 3.27Å; L35-Q38 WeakPolarHBondContact O-CB 3.42Å; L35-Q38 VanDerWaalsContact O-CG 3.24Å; L35-Q38 WeakPolarHBondContact O-CG 3.33Å; L35-Q38 PolarHBondContact O-N 3.21Å; L36-Q38 PolarHBondContact O-N 2.91Å; Q38-E40 WeakPolarHBondContact CB-OE2 3.17Å; Q38-E40 PolarHBondContact O-N 2.89Å; Q38-L41 PolarHBondContact O-N 3.47Å; Q38-N42 PolarHBondContact O-N 3.06Å; Q38-N42 PolarHBondContact O-ND2 3.4Å; Q38-R279 PolarHBondContact NE2-O 2.72Å; Q38-R279 VanDerWaalsContact OE1-CB 3.32Å
39D90.8Very high93.7Very high36 Ų3651.8 Ų51.819%0.19324%0.242CC..THydrogen-bonded Turntrans-54-25.1-175.3-89.8-52.7000114.2R273 R366D39-R273 IonicContact OD1-CZ 3.22Å; D39-R273 IonicContact OD1-NE 2.66Å; D39-R273 IonicContact OD1-NH2 3.13Å; D39-R273 PolarHBondContact OD1-NH2 3.39Å; D39-R273 VanDerWaalsContact OD1-NH2 3.15Å; D39-R273 IonicContact OD2-CZ 3.14Å; D39-R273 VanDerWaalsContact OD2-CZ 3.29Å; D39-R273 IonicContact OD2-NE 2.98Å; D39-R273 PolarHBondContact OD2-NE 2.95Å; D39-R273 IonicContact OD2-NH2 3.36Å; D39-R273 PolarHBondContact OD2-NH2 2.88Å; D39-R366 PolarHBondContact O-NH1 2.93Å; D39-R366 PolarHBondContact O-NH2 2.97Å; D39-R366 IonicContact OD1-CZ 2.69Å; D39-R366 IonicContact OD1-NE 2.8Å; D39-R366 PolarHBondContact OD1-NE 3.5Å; D39-R366 IonicContact OD1-NH2 3.68Å; D39-R366 PolarHBondContact OD1-NH2 2.92Å
40E92.1Very high93.3Very high123 Ų12357.8 Ų57.858%0.57527%0.274SS*.THydrogen-bonded Turntrans-85-16.5-177.8-55.788.116800114.3Q38 R279Q38-E40 WeakPolarHBondContact CB-OE2 3.17Å; Q38-E40 PolarHBondContact O-N 2.89Å; E40-R279 IonicContact OE1-CZ 3.11Å; E40-R279 IonicContact OE1-NH1 2.81Å; E40-R279 PolarHBondContact OE1-NH1 3.01Å; E40-R279 IonicContact OE1-NH2 2.71Å; E40-R279 PolarHBondContact OE1-NH2 3.45Å; E40-R279 IonicContact OE2-CZ 2.72Å; E40-R279 IonicContact OE2-NH1 3.51Å; E40-R279 PolarHBondContact OE2-NH1 3.07Å; E40-R279 IonicContact OE2-NH2 2.68Å
41L93.5Very high92.8Very high78 Ų7858 Ų5841%0.40828%0.282SS..THydrogen-bonded Turntrans-121.28.4-173.9-66.8176.7000113.6L35 L36 Q38L35-L41 HydrophobicContact CB-CD1 3.89Å; L36-L41 HydrophobicContact CD2-CB 4.23Å; Q38-L41 PolarHBondContact O-N 3.47Å
42N93.9Very high92.4Very high9 Ų953.3 Ų53.35%0.04826%0.258CS..SBendtrans-137.2173.7175.866.644.4000112.4L36 S37 Q38 R366 I368L36-N42 WeakPolarHBondContact O-CB 3.49Å; L36-N42 PolarHBondContact O-ND2 2.97Å; S37-N42 VanDerWaalsContact C-ND2 3.28Å; S37-N42 PolarHBondContact O-ND2 3.5Å; S37-N42 VanDerWaalsContact O-ND2 3.1Å; Q38-N42 PolarHBondContact O-N 3.06Å; Q38-N42 PolarHBondContact O-ND2 3.4Å; N42-R366 PolarHBondContact O-NH1 3.49Å; N42-R366 VanDerWaalsContact OD1-CD 3.25Å; N42-R366 WeakPolarHBondContact OD1-CD 3.47Å; N42-R366 VanDerWaalsContact OD1-CZ 3.31Å; N42-R366 PolarHBondContact OD1-NE 3.42Å; N42-R366 PolarHBondContact OD1-NH1 3.05Å; N42-I368 HydrophobicContact CB-CG1 3.68Å
43Y94.3Very high92Very high118 Ų11852.1 Ų52.146%0.46326%0.258SS..EExtended strand (participates in β ladder)trans-107.1152.8-174.3-57.1-64.5000111.5R366 Y367 V372Y43-R366 CarbonylContact O-C 3.49Å; Y43-R366 VanDerWaalsContact O-CA 3.29Å; Y43-R366 WeakPolarHBondContact O-CA 3.33Å; Y43-R366 WeakPolarHBondContact O-CD 3.19Å; Y43-Y367 HydrophobicContact CD2-CE1 4.45Å; Y43-Y367 HydrophobicContact CD2-CE2 4.45Å; Y43-Y367 HydrophobicContact CG-CE1 4.32Å; Y43-Y367 PolarHBondContact N-O 2.78Å; Y43-Y367 PolarHBondContact O-N 3.45Å; Y43-V372 HydrophobicContact CE2-CG2 3.66Å
44K94.2Very high91.6Very high146 Ų14653.3 Ų53.364%0.63527%0.266SS*.EExtended strand (participates in β ladder)trans-76.9143.9168.4-68.4-176.3177.3-176.80110Y365 Y367K44-Y365 WeakPolarHBondContact CA-O 3.16Å; K44-Y367 WeakPolarHBondContact O-CE1 3.4Å
45T93.2Very high90.9Very high10 Ų1054.2 Ų54.26%0.06128%0.281CS..  trans-69.4137.8175.652.10000111.5N249 R253 L361 Y365 Y367T45-N249 VanDerWaalsContact CB-OD1 3.3Å; T45-N249 WeakPolarHBondContact CB-OD1 3.25Å; T45-N249 WeakPolarHBondContact CG2-OD1 3.47Å; T45-R253 PolarHBondContact O-NH2 3.45Å; T45-L361 HydrophobicContact CG2-CD2 4.26Å; T45-Y365 PolarHBondContact N-O 3.32Å; T45-Y365 WeakPolarHBondContact OG1-CA 3.29Å; T45-Y365 PolarHBondContact OG1-O 2.84Å; T45-Y367 HydrophobicContact CG2-CD1 4.04Å; T45-Y367 HydrophobicContact CG2-CG 4.44Å
46Y92Very high90.4Very high106 Ų10657.1 Ų57.142%0.41629%0.293SS..  trans-137.4166.6179.565.7-85.4000109.4N249 Y367Y46-N249 PolarHBondContact O-ND2 2.82Å; Y46-Y367 HydrophobicContact CD1-CE1 4.28Å; Y46-Y367 HydrophobicContact CE1-CE1 4.07Å; Y46-Y367 WeakPolarHBondContact CE1-OH 3.48Å
47M91.3Very high89.8Confident43 Ų4359.2 Ų59.221%0.21231%0.305CS..  trans-91.5119.6169.8-43.1-46.1-103.900106.8V54 N249 T250 R253M47-V54 HydrophobicContact CE-CB 4.05Å; M47-V54 HydrophobicContact CE-CG1 4.21Å; M47-V54 HydrophobicContact CE-CG2 3.5Å; M47-V54 VanDerWaalsContact CE-CG2 3.5Å; M47-N249 HydrophobicContact CE-CB 4.09Å; M47-N249 HydrophobicContact SD-CB 3.57Å; M47-N249 VanDerWaalsContact SD-CB 3.57Å; M47-T250 WeakPolarHBondContact CE-OG1 3.26Å; M47-R253 WeakPolarHBondContact SD-CD 3.17Å; M47-R253 PolarHBondContact SD-NE 3.27Å
48S88.8Confident89.4Confident12 Ų1265.8 Ų65.88%0.08434%0.341CS..SBendtrans-81.4-42.4170.974.70000110.3D246 Q354 S355S48-D246 WeakPolarHBondContact CA-OD2 3.41Å; S48-D246 WeakPolarHBondContact CB-OD2 3.33Å; S48-D246 PolarHBondContact N-OD2 3Å; S48-D246 PolarHBondContact OG-OD2 3.18Å; S48-Q354 VanDerWaalsContact C-CD 3.49Å; S48-Q354 VanDerWaalsContact C-NE2 3.34Å; S48-Q354 VanDerWaalsContact O-CD 3.3Å; S48-Q354 PolarHBondContact O-NE2 2.82Å; S48-Q354 PolarHBondContact O-OE1 2.84Å; S48-Q354 WeakPolarHBondContact OG-CG 3.31Å; S48-S355 WeakPolarHBondContact OG-CA 3.46Å; S48-S355 VanDerWaalsContact OG-CB 3.28Å; S48-S355 WeakPolarHBondContact OG-CB 3.48Å; S48-S355 PolarHBondContact OG-N 2.9Å
49E86.4Confident89.3Confident30 Ų3066.4 Ų66.414%0.1434%0.344CS..  trans-83.3121.4177.7179.453.1-87.700110.7A51 L52 D246 L348 Q354E49-A51 HydrophobicContact CG-CB 4.38Å; E49-A51 VanDerWaalsContact OE1-CB 3.31Å; E49-A51 WeakPolarHBondContact OE1-CB 3.43Å; E49-A51 PolarHBondContact OE1-N 3.37Å; E49-L52 HydrophobicContact CB-CD1 4.06Å; E49-L52 HydrophobicContact CB-CG 4.47Å; E49-L52 HydrophobicContact CG-CD1 4.21Å; E49-L52 HydrophobicContact CG-CG 4.08Å; E49-D246 PolarHBondContact N-OD2 2.86Å; E49-L348 HydrophobicContact CG-CD2 3.65Å; E49-Q354 HydrophobicContact CB-CB 4.38Å
50N87.1Confident89.3Confident126 Ų12669.2 Ų69.267%0.67436%0.358SS*.SBendtrans-87.7-26.8-179.5-65.7-77.8000111.9L52 L53N50-L52 PolarHBondContact O-N 3.38Å; N50-L52 VanDerWaalsContact O-N 3.14Å; N50-L53 WeakPolarHBondContact O-CD2 3.3Å; N50-L53 PolarHBondContact O-N 3.42Å
51A87.6Confident89.4Confident41 Ų4163.4 Ų63.434%0.33933%0.33SS..THydrogen-bonded Turntrans-66.7-12.4-17800000114.1E49 L53 N347 L348E49-A51 HydrophobicContact CG-CB 4.38Å; E49-A51 VanDerWaalsContact OE1-CB 3.31Å; E49-A51 WeakPolarHBondContact OE1-CB 3.43Å; E49-A51 PolarHBondContact OE1-N 3.37Å; A51-L53 PolarHBondContact O-N 3.08Å; A51-N347 WeakPolarHBondContact O-CB 3.42Å; A51-L348 HydrophobicContact CB-CD2 3.93Å
52L88.6Confident89.3Confident0 Ų065.4 Ų65.40%034%0.342CS..THydrogen-bonded Turntrans-63.4-28169.3-74.7162.7000112.7E49 N50 V54 D246 S344 L348 F352E49-L52 HydrophobicContact CB-CD1 4.06Å; E49-L52 HydrophobicContact CB-CG 4.47Å; E49-L52 HydrophobicContact CG-CD1 4.21Å; E49-L52 HydrophobicContact CG-CG 4.08Å; N50-L52 PolarHBondContact O-N 3.38Å; N50-L52 VanDerWaalsContact O-N 3.14Å; L52-V54 HydrophobicContact CB-CG2 3.57Å; L52-V54 PolarHBondContact O-N 2.81Å; L52-V54 VanDerWaalsContact O-N 3.14Å; L52-D246 HydrophobicContact CD1-CB 4.01Å; L52-S344 VanDerWaalsContact O-CA 3.26Å; L52-S344 WeakPolarHBondContact O-CA 3.46Å; L52-S344 WeakPolarHBondContact O-CB 3.45Å; L52-L348 HydrophobicContact CD2-CD1 3.76Å; L52-L348 HydrophobicContact CD2-CD2 4.17Å; L52-L348 HydrophobicContact CD2-CG 3.92Å; L52-L348 HydrophobicContact CG-CD1 4.42Å; L52-L348 HydrophobicContact CG-CD2 4Å; L52-L348 HydrophobicContact CG-CG 4.32Å; L52-F352 HydrophobicContact CD1-CE1 4.47Å; L52-F352 HydrophobicContact CD2-CE1 4.24Å; L52-F352 HydrophobicContact CD2-CZ 4.04Å
53L88.3Confident89.3Confident69 Ų6967 Ų6736%0.36135%0.35SS..  trans5036.9179.9-53.8175.7000114N50 A51 G55 Q56N50-L53 WeakPolarHBondContact O-CD2 3.3Å; N50-L53 PolarHBondContact O-N 3.42Å; A51-L53 PolarHBondContact O-N 3.08Å; L53-G55 PolarHBondContact O-N 3.2Å; L53-Q56 HydrophobicContact CB-CB 4.37Å; L53-Q56 HydrophobicContact CB-CG 4.4Å; L53-Q56 VanDerWaalsContact O-CB 3.32Å; L53-Q56 WeakPolarHBondContact O-CB 3.46Å; L53-Q56 WeakPolarHBondContact O-CG 3.18Å; L53-Q56 PolarHBondContact O-N 3.44Å
54V87.2Confident89.3Confident34 Ų3462 Ų6221%0.20633%0.332CS..THydrogen-bonded Turntrans-58.7125.5-169.9-173.70000111.9M47 L52 Q56 T250 R253 L254M47-V54 HydrophobicContact CE-CB 4.05Å; M47-V54 HydrophobicContact CE-CG1 4.21Å; M47-V54 HydrophobicContact CE-CG2 3.5Å; M47-V54 VanDerWaalsContact CE-CG2 3.5Å; L52-V54 HydrophobicContact CB-CG2 3.57Å; L52-V54 PolarHBondContact O-N 2.81Å; L52-V54 VanDerWaalsContact O-N 3.14Å; V54-Q56 VanDerWaalsContact C-N 3.28Å; V54-Q56 PolarHBondContact O-N 3.08Å; V54-T250 HydrophobicContact CG1-CG2 4.22Å; V54-T250 HydrophobicContact CG2-CG2 3.92Å; V54-R253 HydrophobicContact CG1-CB 4.31Å; V54-L254 HydrophobicContact CG1-CD1 4.16Å; V54-L254 HydrophobicContact CG1-CD2 3.79Å; V54-L254 HydrophobicContact CG1-CG 3.62Å
55G81.8Confident89.3Confident55 Ų5558.9 Ų58.957%0.56733%0.328SS*.THydrogen-bonded Turntrans76.84.8-179.400000115.2L53L53-G55 PolarHBondContact O-N 3.2Å
56Q85Confident89.4Confident140 Ų14058.7 Ų58.765%0.65433%0.327SS*.  trans-87.5-14.9174.8-59-1731000113.6L53 V54L53-Q56 HydrophobicContact CB-CB 4.37Å; L53-Q56 HydrophobicContact CB-CG 4.4Å; L53-Q56 VanDerWaalsContact O-CB 3.32Å; L53-Q56 WeakPolarHBondContact O-CB 3.46Å; L53-Q56 WeakPolarHBondContact O-CG 3.18Å; L53-Q56 PolarHBondContact O-N 3.44Å; V54-Q56 VanDerWaalsContact C-N 3.28Å; V54-Q56 PolarHBondContact O-N 3.08Å
57V83.8Confident89.5Confident45 Ų4553.6 Ų53.627%0.27331%0.307SS..SBendtrans-105.2113.8-173.2-168.30000110.7E59V57-E59 PolarHBondContact O-N 3.01Å
58N85Confident89.7Confident139 Ų13955 Ų5574%0.74332%0.315SS*.  trans-59.7117.4176-63.2-29.4000111.4R343N58-R343 PolarHBondContact O-NH1 3.18Å
59E90.2Very high90.1Very high35 Ų3560 Ų6016%0.16434%0.337CS..  trans-77.3133.5175.5-54.796.1153.300111V57 H258 R336 E339V57-E59 PolarHBondContact O-N 3.01Å; E59-H258 VanDerWaalsContact CD-CE1 3.48Å; E59-H258 IonicContact OE1-CD2 2.65Å; E59-H258 IonicContact OE1-CE1 3.16Å; E59-H258 IonicContact OE1-NE2 3.95Å; E59-H258 PolarHBondContact OE1-NE2 2.79Å; E59-H258 IonicContact OE2-CE1 3.29Å; E59-H258 PolarHBondContact OE2-CE1 3.03Å; E59-H258 VanDerWaalsContact OE2-CE1 3.23Å; E59-H258 IonicContact OE2-NE2 2.72Å; E59-H258 PolarHBondContact OE2-NE2 3.45Å; E59-R336 HydrophobicContact CB-CB 3.85Å; E59-R336 HydrophobicContact CB-CG 3.87Å; E59-R336 HydrophobicContact CG-CB 4.39Å; E59-R336 WeakPolarHBondContact CG-O 3.47Å; E59-E339 HydrophobicContact CB-CB 4.35Å; E59-E339 HydrophobicContact CB-CG 4.12Å; E59-E339 WeakPolarHBondContact CB-OE2 3.48Å; E59-E339 HydrophobicContact CG-CB 4.3Å; E59-E339 HydrophobicContact CG-CG 4.18Å
60I92Very high90.6Very high95 Ų9559.2 Ų59.249%0.48733%0.333SS..  trans-101.3-20.1-164.3-54.4178.5000111D62 E339I60-D62 PolarHBondContact O-N 2.99Å; I60-E339 VanDerWaalsContact N-CD 3.26Å; I60-E339 PolarHBondContact N-OE1 2.92Å; I60-E339 PolarHBondContact N-OE2 3.19Å
61F92.4Very high91Very high1 Ų154.4 Ų54.40%0.00431%0.306CS..  trans-50.8132.5-175.1-167.5-75.6000113.1D63 V64 S67 L161 L164 L332 T335 R336 E339F61-D63 VanDerWaalsContact CE1-C 3.4Å; F61-D63 WeakPolarHBondContact CE1-O 3.37Å; F61-D63 HydrophobicContact CZ-CB 4.41Å; F61-D63 WeakPolarHBondContact CZ-O 3.28Å; F61-V64 HydrophobicContact CE1-CG2 4.25Å; F61-S67 WeakPolarHBondContact CZ-OG 3.36Å; F61-L161 HydrophobicContact CD2-CD2 3.77Å; F61-L161 HydrophobicContact CE2-CD2 4.21Å; F61-L164 HydrophobicContact CB-CD2 3.73Å; F61-L164 HydrophobicContact CD2-CB 4.38Å; F61-L164 HydrophobicContact CD2-CD2 3.71Å; F61-L164 HydrophobicContact CG-CD2 4.18Å; F61-L332 HydrophobicContact CD1-CD1 4.04Å; F61-L332 WeakPolarHBondContact O-CD1 3.11Å; F61-T335 HydrophobicContact CD1-CG2 3.98Å; F61-T335 WeakPolarHBondContact CD1-OG1 3.07Å; F61-T335 HydrophobicContact CD2-CG2 4.21Å; F61-T335 HydrophobicContact CE1-CG2 3.67Å; F61-T335 WeakPolarHBondContact CE1-OG1 3.37Å; F61-T335 HydrophobicContact CE2-CG2 3.91Å; F61-T335 HydrophobicContact CG-CG2 4.25Å; F61-T335 WeakPolarHBondContact CG-OG1 3.45Å; F61-T335 HydrophobicContact CZ-CG2 3.64Å; F61-R336 HydrophobicContact CB-CG 4.26Å; F61-R336 VanDerWaalsContact O-CZ 3.32Å; F61-R336 PolarHBondContact O-NE 2.86Å; F61-R336 PolarHBondContact O-NH2 3.44Å; F61-E339 VanDerWaalsContact CB-OE2 3.28Å; F61-E339 WeakPolarHBondContact CB-OE2 3.41Å; F61-E339 PolarHBondContact N-OE2 3.36Å
62D92.9Very high91.3Very high120 Ų12056.2 Ų56.264%0.64231%0.307SS*.  trans-140.4-25.4177.161.6-11.2000113.8I60 V64I60-D62 PolarHBondContact O-N 2.99Å; D62-V64 PolarHBondContact O-N 3.27Å
63D92.9Very high91.7Very high41 Ų4159 Ų5922%0.21932%0.32CS..  trans-69.260.7-178.3-167-8.5000114.7F61 S65 S66 K163F61-D63 VanDerWaalsContact CE1-C 3.4Å; F61-D63 WeakPolarHBondContact CE1-O 3.37Å; F61-D63 HydrophobicContact CZ-CB 4.41Å; F61-D63 WeakPolarHBondContact CZ-O 3.28Å; D63-S65 PolarHBondContact O-N 3.11Å; D63-S65 WeakPolarHBondContact OD1-CB 3.47Å; D63-S65 PolarHBondContact OD1-OG 3.16Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 WeakPolarHBondContact OD1-CB 3.26Å; D63-S66 PolarHBondContact OD1-N 3.04Å; D63-S66 PolarHBondContact OD1-OG 2.83Å; D63-S66 PolarHBondContact OD2-OG 2.98Å; D63-K163 IonicContact OD2-NZ 3.16Å; D63-K163 PolarHBondContact OD2-NZ 3.34Å
64V94.3Very high92Very high14 Ų1455.7 Ų55.79%0.08530%0.303CS..Hα-helixtrans-60.6-28.8171.7172.40000111.2F61 D62 S67 I68 I331 L332F61-V64 HydrophobicContact CE1-CG2 4.25Å; D62-V64 PolarHBondContact O-N 3.27Å; V64-S67 WeakPolarHBondContact O-CB 3.28Å; V64-S67 PolarHBondContact O-N 2.99Å; V64-I68 HydrophobicContact CG1-CD1 3.97Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.43Å; V64-I68 PolarHBondContact O-N 3.17Å; V64-I68 VanDerWaalsContact O-N 3.08Å; V64-I331 HydrophobicContact CG1-CB 4.01Å; V64-I331 HydrophobicContact CG1-CD1 3.8Å; V64-I331 HydrophobicContact CG1-CG1 4.48Å; V64-I331 HydrophobicContact CG1-CG2 4.06Å; V64-I331 HydrophobicContact CG2-CG2 4.46Å; V64-L332 HydrophobicContact CG2-CB 4.03Å; V64-L332 HydrophobicContact CG2-CD1 4.12Å
65S94.6Very high92.3Very high81 Ų8156.3 Ų56.357%0.56630%0.303SS*.Hα-helixtrans-50.3-56.4172.7200000112.4D63 S67 I68 E69D63-S65 PolarHBondContact O-N 3.11Å; D63-S65 WeakPolarHBondContact OD1-CB 3.47Å; D63-S65 PolarHBondContact OD1-OG 3.16Å; S65-S67 VanDerWaalsContact C-N 3.26Å; S65-S67 PolarHBondContact O-N 3.35Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-I68 VanDerWaalsContact O-N 3.1Å; S65-E69 PolarHBondContact O-N 2.84Å
66S94.9Very high93Very high5 Ų560 Ų604%0.03530%0.303CS..Hα-helixtrans-64.4-32.3-179.3-59.50000112.3D63 I68 E69 F70 K163D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 WeakPolarHBondContact OD1-CB 3.26Å; D63-S66 PolarHBondContact OD1-N 3.04Å; D63-S66 PolarHBondContact OD1-OG 2.83Å; D63-S66 PolarHBondContact OD2-OG 2.98Å; S66-I68 VanDerWaalsContact C-N 3.35Å; S66-I68 PolarHBondContact O-N 3.5Å; S66-E69 PolarHBondContact O-N 3.33Å; S66-F70 WeakPolarHBondContact O-CB 3.45Å; S66-F70 WeakPolarHBondContact O-CD2 3.43Å; S66-F70 WeakPolarHBondContact O-CG 3.33Å; S66-F70 PolarHBondContact O-N 2.81Å; S66-K163 PolarHBondContact OG-NZ 3.44Å
67S95.3Very high93.5Very high0 Ų053.9 Ų53.90%028%0.277CS..Hα-helixtrans-63.4-40.9174.5-53.90000111.5F61 V64 S65 Y71 A156 S160 L226F61-S67 WeakPolarHBondContact CZ-OG 3.36Å; V64-S67 WeakPolarHBondContact O-CB 3.28Å; V64-S67 PolarHBondContact O-N 2.99Å; S65-S67 VanDerWaalsContact C-N 3.26Å; S65-S67 PolarHBondContact O-N 3.35Å; S67-Y71 VanDerWaalsContact O-CB 3.3Å; S67-Y71 WeakPolarHBondContact O-CB 3.32Å; S67-Y71 PolarHBondContact O-N 3.08Å; S67-A156 WeakPolarHBondContact O-CB 3.33Å; S67-S160 VanDerWaalsContact OG-CB 3.26Å; S67-S160 WeakPolarHBondContact OG-CB 3.23Å; S67-S160 PolarHBondContact OG-OG 3.38Å; S67-L226 WeakPolarHBondContact O-CD1 3.48Å
68I95.4Very high93.9Very high73 Ų7354.3 Ų54.337%0.37428%0.275SS..Hα-helixtrans-69.9-40.4176.5-64.8168.9000110.9V64 S65 S66 Y71 E72 L226 I331V64-I68 HydrophobicContact CG1-CD1 3.97Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.43Å; V64-I68 PolarHBondContact O-N 3.17Å; V64-I68 VanDerWaalsContact O-N 3.08Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-I68 VanDerWaalsContact O-N 3.1Å; S66-I68 VanDerWaalsContact C-N 3.35Å; S66-I68 PolarHBondContact O-N 3.5Å; I68-Y71 PolarHBondContact O-N 3.31Å; I68-E72 PolarHBondContact O-N 3.1Å; I68-E72 VanDerWaalsContact O-N 3.15Å; I68-L226 HydrophobicContact CB-CD1 4.49Å; I68-L226 HydrophobicContact CG1-CD1 4.07Å; I68-I331 HydrophobicContact CD1-CD1 3.95Å; I68-I331 HydrophobicContact CG1-CD1 3.75Å
69E96Very high94.3Very high115 Ų11556 Ų5654%0.53728%0.276SS..Hα-helixtrans-62.4-56.5178.7-173.3162.7-137.500111.9S65 S66 Y71 E72 E73S65-E69 PolarHBondContact O-N 2.84Å; S66-E69 PolarHBondContact O-N 3.33Å; E69-Y71 PolarHBondContact O-N 3.22Å; E69-E72 PolarHBondContact O-N 3.37Å; E69-E72 VanDerWaalsContact O-N 3.12Å; E69-E73 HydrophobicContact CG-CG 4.45Å; E69-E73 WeakPolarHBondContact O-CG 3.32Å; E69-E73 PolarHBondContact O-N 3.23Å
70F97Very high94.4Very high14 Ų1458.2 Ų58.26%0.06130%0.295CS..Hα-helixtrans-59.8-29.5178.2-64.5-45.1000113.2S66 S74 W89 Q93 I97 A156 L159S66-F70 WeakPolarHBondContact O-CB 3.45Å; S66-F70 WeakPolarHBondContact O-CD2 3.43Å; S66-F70 WeakPolarHBondContact O-CG 3.33Å; S66-F70 PolarHBondContact O-N 2.81Å; F70-S74 VanDerWaalsContact O-CB 3.27Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.27Å; F70-S74 PolarHBondContact O-OG 3.28Å; F70-W89 HydrophobicContact CB-CH2 4.32Å; F70-W89 HydrophobicContact CB-CZ2 4.4Å; F70-W89 HydrophobicContact CD1-CZ2 4.14Å; F70-W89 WeakPolarHBondContact O-CH2 3.36Å; F70-Q93 HydrophobicContact CE1-CG 4.32Å; F70-I97 HydrophobicContact CZ-CD1 4.42Å; F70-A156 HydrophobicContact CB-CB 4.16Å; F70-L159 HydrophobicContact CB-CB 4.36Å; F70-L159 HydrophobicContact CB-CD1 4.18Å; F70-L159 HydrophobicContact CD1-CB 4.31Å; F70-L159 HydrophobicContact CD1-CD1 4.09Å; F70-L159 HydrophobicContact CD2-CB 3.4Å; F70-L159 HydrophobicContact CD2-CD1 4.49Å; F70-L159 HydrophobicContact CE1-CB 4.47Å; F70-L159 HydrophobicContact CE2-CB 3.59Å; F70-L159 HydrophobicContact CG-CB 3.8Å; F70-L159 HydrophobicContact CG-CD1 4.03Å; F70-L159 HydrophobicContact CZ-CB 4.13Å
71Y95.4Very high94.3Very high25 Ų2558.6 Ų58.610%0.09830%0.298CS..Hα-helixtrans-71.1-39.2175.8177.8-120.8000113.3S67 I68 E69 S74 K75 F152 N225 L226S67-Y71 VanDerWaalsContact O-CB 3.3Å; S67-Y71 WeakPolarHBondContact O-CB 3.32Å; S67-Y71 PolarHBondContact O-N 3.08Å; I68-Y71 PolarHBondContact O-N 3.31Å; E69-Y71 PolarHBondContact O-N 3.22Å; Y71-S74 PolarHBondContact O-OG 2.7Å; Y71-S74 VanDerWaalsContact O-OG 3.12Å; Y71-K75 WeakPolarHBondContact O-CD 3.32Å; Y71-K75 VanDerWaalsContact O-CG 3.3Å; Y71-K75 WeakPolarHBondContact O-CG 3.49Å; Y71-K75 PolarHBondContact OH-NZ 2.92Å; Y71-F152 HydrophobicContact CD2-CB 3.88Å; Y71-F152 HydrophobicContact CE2-CB 3.86Å; Y71-N225 WeakPolarHBondContact OH-CA 3.47Å; Y71-N225 PolarHBondContact OH-OD1 3.31Å; Y71-L226 HydrophobicContact CD1-CB 4.36Å; Y71-L226 HydrophobicContact CD1-CD1 3.44Å; Y71-L226 VanDerWaalsContact CD1-CD1 3.44Å; Y71-L226 HydrophobicContact CD1-CG 3.72Å; Y71-L226 HydrophobicContact CD2-CD1 4.42Å; Y71-L226 HydrophobicContact CD2-CG 3.92Å; Y71-L226 HydrophobicContact CE1-CB 4.3Å; Y71-L226 HydrophobicContact CE1-CD1 4.15Å; Y71-L226 HydrophobicContact CE1-CG 4.12Å; Y71-L226 HydrophobicContact CE2-CG 4.35Å; Y71-L226 HydrophobicContact CG-CD1 3.57Å; Y71-L226 HydrophobicContact CG-CG 3.57Å
72E95.4Very high94.3Very high79 Ų7959.8 Ų59.837%0.36931%0.31SS..Hα-helixtrans-81.3-27.7174.6-67.9-54.5137.800112.5I68 E69 K75 K76I68-E72 PolarHBondContact O-N 3.1Å; I68-E72 VanDerWaalsContact O-N 3.15Å; E69-E72 PolarHBondContact O-N 3.37Å; E69-E72 VanDerWaalsContact O-N 3.12Å; E72-K75 IonicContact OE1-NZ 2.76Å; E72-K75 PolarHBondContact OE1-NZ 2.96Å; E72-K75 IonicContact OE2-NZ 2.7Å; E72-K76 WeakPolarHBondContact O-CD 3.39Å; E72-K76 WeakPolarHBondContact O-CE 3.41Å; E72-K76 WeakPolarHBondContact O-CG 3.47Å; E72-K76 PolarHBondContact O-N 2.9Å
73E96.6Very high94.1Very high58 Ų5855.9 Ų55.927%0.27129%0.289SS..Hα-helixtrans-68.2-49.6171.2-72.8-149.7147.500113.3E69 K75 K76 A77 W89 Q93E69-E73 HydrophobicContact CG-CG 4.45Å; E69-E73 WeakPolarHBondContact O-CG 3.32Å; E69-E73 PolarHBondContact O-N 3.23Å; E73-K75 PolarHBondContact O-N 3.04Å; E73-K76 CarbonylContact O-C 3.56Å; E73-K76 WeakPolarHBondContact O-CA 3.41Å; E73-K76 WeakPolarHBondContact O-CB 3.3Å; E73-K76 PolarHBondContact O-N 3.14Å; E73-A77 PolarHBondContact O-N 2.97Å; E73-W89 HydrophobicContact CB-CZ2 3.57Å; E73-W89 PolarHBondContact OE2-NE1 2.71Å; E73-Q93 PolarHBondContact OE2-NE2 3.22Å
74S94.9Very high94.1Very high0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-55.8-39.3178.253.30000112F70 Y71 A77 F78F70-S74 VanDerWaalsContact O-CB 3.27Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.27Å; F70-S74 PolarHBondContact O-OG 3.28Å; Y71-S74 PolarHBondContact O-OG 2.7Å; Y71-S74 VanDerWaalsContact O-OG 3.12Å; S74-A77 PolarHBondContact O-N 3.32Å; S74-F78 WeakPolarHBondContact O-CB 3.43Å; S74-F78 PolarHBondContact O-N 2.86Å
75K93.7Very high94Very high47 Ų4757.3 Ų57.320%0.20430%0.3CS..Hα-helixtrans-62.7-40.4171.1-70.3171.5-172175.20113.5Y71 E72 E73 K79 F152Y71-K75 WeakPolarHBondContact O-CD 3.32Å; Y71-K75 VanDerWaalsContact O-CG 3.3Å; Y71-K75 WeakPolarHBondContact O-CG 3.49Å; Y71-K75 PolarHBondContact OH-NZ 2.92Å; E72-K75 IonicContact OE1-NZ 2.76Å; E72-K75 PolarHBondContact OE1-NZ 2.96Å; E72-K75 IonicContact OE2-NZ 2.7Å; E73-K75 PolarHBondContact O-N 3.04Å; K75-K79 VanDerWaalsContact O-CB 3.3Å; K75-K79 WeakPolarHBondContact O-CB 3.44Å; K75-K79 WeakPolarHBondContact O-CG 3.22Å; K75-K79 PolarHBondContact O-N 2.8Å; K75-F152 HydrophobicContact CG-CD1 4.13Å; K75-F152 HydrophobicContact CG-CD2 4.44Å; K75-F152 HydrophobicContact CG-CE1 4.45Å; K75-F152 HydrophobicContact CG-CG 4.13Å
76K95.4Very high94Very high134 Ų13453.5 Ų53.558%0.58327%0.273SS*.Hα-helixtrans-66.6-44.6177-68.6161.2-163.4166.40110.7E72 E73 F78 K79 S80E72-K76 WeakPolarHBondContact O-CD 3.39Å; E72-K76 WeakPolarHBondContact O-CE 3.41Å; E72-K76 WeakPolarHBondContact O-CG 3.47Å; E72-K76 PolarHBondContact O-N 2.9Å; E73-K76 CarbonylContact O-C 3.56Å; E73-K76 WeakPolarHBondContact O-CA 3.41Å; E73-K76 WeakPolarHBondContact O-CB 3.3Å; E73-K76 PolarHBondContact O-N 3.14Å; K76-F78 PolarHBondContact O-N 2.96Å; K76-K79 PolarHBondContact O-N 2.69Å; K76-S80 PolarHBondContact O-N 2.81Å; K76-S80 PolarHBondContact O-OG 2.89Å
77A94.6Very high94Very high11 Ų1154.8 Ų54.89%0.09128%0.278CS..Hα-helixtrans-63.9-38.4178.400000112.8E73 S74 S80 N81 G85 W89E73-A77 PolarHBondContact O-N 2.97Å; S74-A77 PolarHBondContact O-N 3.32Å; A77-S80 PolarHBondContact O-OG 2.68Å; A77-N81 PolarHBondContact O-N 2.7Å; A77-G85 CarbonylContact O-C 3.17Å; A77-W89 HydrophobicContact CB-CB 3.54Å; A77-W89 HydrophobicContact CB-CD2 4.2Å; A77-W89 HydrophobicContact CB-CG 3.72Å
78F93.5Very high94Very high53 Ų5360 Ų6023%0.23230%0.303CS..Hα-helixtrans-71.3-35.1172.5-172.2-96000112.6S74 K76 S80 G82 L86 F152S74-F78 WeakPolarHBondContact O-CB 3.43Å; S74-F78 PolarHBondContact O-N 2.86Å; K76-F78 PolarHBondContact O-N 2.96Å; F78-S80 VanDerWaalsContact C-N 3.35Å; F78-S80 PolarHBondContact O-N 3.06Å; F78-G82 WeakPolarHBondContact O-CA 3.13Å; F78-G82 PolarHBondContact O-N 2.65Å; F78-L86 HydrophobicContact CB-CB 4.34Å; F78-L86 HydrophobicContact CD2-CB 4.26Å; F78-L86 HydrophobicContact CD2-CD2 4.02Å; F78-F152 HydrophobicContact CB-CE1 3.73Å; F78-F152 HydrophobicContact CB-CZ 3.96Å; F78-F152 HydrophobicContact CD1-CE1 4.49Å; F78-F152 AromaticContact CD1-CZ 3.85Å; F78-F152 HydrophobicContact CD1-CZ 3.85Å; F78-F152 HydrophobicContact CD2-CZ 4.48Å; F78-F152 HydrophobicContact CE1-CZ 4.49Å; F78-F152 HydrophobicContact CG-CE1 4.06Å; F78-F152 AromaticContact CG-CZ 3.84Å; F78-F152 HydrophobicContact CG-CZ 3.84Å
79K92.6Very high94.1Very high176 Ų17657.7 Ų57.777%0.76529%0.289SS*.Hα-helixtrans-70.3-24.4176.5-81175.8177.8-178.10114.4K75 K76K75-K79 VanDerWaalsContact O-CB 3.3Å; K75-K79 WeakPolarHBondContact O-CB 3.44Å; K75-K79 WeakPolarHBondContact O-CG 3.22Å; K75-K79 PolarHBondContact O-N 2.8Å; K76-K79 PolarHBondContact O-N 2.69Å
80S92Very high94.2Very high80 Ų8052.2 Ų52.256%0.55926%0.264SS*.Hα-helixtrans-80.9-60.9178.155.60000112K76 A77 F78K76-S80 PolarHBondContact O-N 2.81Å; K76-S80 PolarHBondContact O-OG 2.89Å; A77-S80 PolarHBondContact O-OG 2.68Å; F78-S80 VanDerWaalsContact C-N 3.35Å; F78-S80 PolarHBondContact O-N 3.06Å
81N91.1Very high94.2Very high104 Ų10455.9 Ų55.956%0.55628%0.28SS*.Hα-helixtrans-126.726.5-171.7-67-12.7000113.1A77 V84 G85A77-N81 PolarHBondContact O-N 2.7Å; N81-V84 PolarHBondContact O-N 3.05Å; N81-G85 PolarHBondContact O-N 2.92Å
82G91.1Very high94.3Very high25 Ų2560.1 Ų60.126%0.25830%0.302SS..Hα-helixtrans59.6-142.6177.700000113.3F78 V84 G85 L86F78-G82 WeakPolarHBondContact O-CA 3.13Å; F78-G82 PolarHBondContact O-N 2.65Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 2.64Å; G82-G85 PolarHBondContact O-N 2.78Å; G82-L86 PolarHBondContact O-N 2.82Å
83I90.4Very high94.4Very high38 Ų3858 Ų5820%0.19529%0.292CS..Hα-helixtrans-62.9-32.1179.9-159.561.1000112.7L86 K87 L145I83-L86 HydrophobicContact CD1-CD2 4.25Å; I83-L86 PolarHBondContact O-N 3Å; I83-K87 VanDerWaalsContact O-CB 3.3Å; I83-K87 WeakPolarHBondContact O-CB 3.45Å; I83-K87 PolarHBondContact O-N 2.98Å; I83-L145 HydrophobicContact CD1-CB 4.01Å; I83-L145 HydrophobicContact CD1-CD2 4.1Å
84V91.6Very high94.5Very high80 Ų8055.2 Ų55.249%0.48528%0.279SS..Hα-helixtrans-67-45.7177.2-178.30000110.7N81 G82 K87 Q88N81-V84 PolarHBondContact O-N 3.05Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 2.64Å; V84-K87 PolarHBondContact O-N 2.86Å; V84-Q88 WeakPolarHBondContact O-CB 3.37Å; V84-Q88 VanDerWaalsContact O-CG 3.32Å; V84-Q88 WeakPolarHBondContact O-CG 3.06Å; V84-Q88 PolarHBondContact O-N 3.45Å
85G92.8Very high94.6Very high6 Ų658.6 Ų58.66%0.06230%0.297CS..Hα-helixtrans-61.7-43.8174.800000112.8A77 N81 G82 Q88 W89A77-G85 CarbonylContact O-C 3.17Å; N81-G85 PolarHBondContact O-N 2.92Å; G82-G85 PolarHBondContact O-N 2.78Å; G85-Q88 PolarHBondContact O-N 2.9Å; G85-W89 WeakPolarHBondContact O-CB 3.2Å; G85-W89 PolarHBondContact O-N 3.24Å
86L94.9Very high94.7Very high0 Ų061.6 Ų61.60%032%0.319CS..Hα-helixtrans-62.4-44.1176.4-176.562.8000112F78 G82 I83 W89 L90 L145 T150 F152 L155F78-L86 HydrophobicContact CB-CB 4.34Å; F78-L86 HydrophobicContact CD2-CB 4.26Å; F78-L86 HydrophobicContact CD2-CD2 4.02Å; G82-L86 PolarHBondContact O-N 2.82Å; I83-L86 HydrophobicContact CD1-CD2 4.25Å; I83-L86 PolarHBondContact O-N 3Å; L86-W89 HydrophobicContact CD1-CE3 3.83Å; L86-W89 HydrophobicContact CD1-CZ3 4.1Å; L86-W89 PolarHBondContact O-N 2.8Å; L86-L90 WeakPolarHBondContact O-CB 3.3Å; L86-L90 PolarHBondContact O-N 3.42Å; L86-L145 HydrophobicContact CD2-CD2 3.87Å; L86-L145 HydrophobicContact CG-CD2 4.22Å; L86-T150 HydrophobicContact CD2-CG2 3.62Å; L86-F152 HydrophobicContact CD2-CE1 4.43Å; L86-L155 HydrophobicContact CD1-CD1 4.03Å; L86-L155 HydrophobicContact CD2-CD1 3.95Å; L86-L155 HydrophobicContact CG-CD1 4.32Å
87K94.6Very high94.8Very high33 Ų3356.4 Ų56.414%0.14330%0.298CS..Hα-helixtrans-66.2-40178.8-172.115564.7-168.50112.2I83 V84 L90 F91 S122 L124 L145 E181I83-K87 VanDerWaalsContact O-CB 3.3Å; I83-K87 WeakPolarHBondContact O-CB 3.45Å; I83-K87 PolarHBondContact O-N 2.98Å; V84-K87 PolarHBondContact O-N 2.86Å; K87-L90 PolarHBondContact O-N 3.48Å; K87-F91 WeakPolarHBondContact O-CB 3.13Å; K87-F91 PolarHBondContact O-N 3.37Å; K87-S122 PolarHBondContact NZ-O 2.91Å; K87-L124 HydrophobicContact CD-CB 4.34Å; K87-L124 HydrophobicContact CG-CB 4.32Å; K87-L124 HydrophobicContact CG-CD2 4.33Å; K87-L145 HydrophobicContact CD-CD1 4.22Å; K87-L145 HydrophobicContact CG-CD1 4.44Å; K87-E181 IonicContact NZ-OE1 3.66Å; K87-E181 PolarHBondContact NZ-OE1 3.34Å; K87-E181 IonicContact NZ-OE2 2.8Å; K87-E181 PolarHBondContact NZ-OE2 2.68Å
88Q95.7Very high94.8Very high109 Ų10957.6 Ų57.651%0.50931%0.311SS..Hα-helixtrans-64.3-46.1173.8-74.2173.7-11.400112.4V84 G85 F91 M92V84-Q88 WeakPolarHBondContact O-CB 3.37Å; V84-Q88 VanDerWaalsContact O-CG 3.32Å; V84-Q88 WeakPolarHBondContact O-CG 3.06Å; V84-Q88 PolarHBondContact O-N 3.45Å; G85-Q88 PolarHBondContact O-N 2.9Å; Q88-F91 PolarHBondContact O-N 2.93Å; Q88-M92 WeakPolarHBondContact O-CG 2.95Å; Q88-M92 PolarHBondContact O-N 3.41Å; Q88-M92 VanDerWaalsContact O-N 3.1Å
89W97Very high95Very high25 Ų2555.7 Ų55.710%0.09530%0.303CS..Hα-helixtrans-60.6-45.7174.8168.584.3000111.9F70 E73 A77 G85 L86 F91 M92 Q93 L159F70-W89 HydrophobicContact CB-CH2 4.32Å; F70-W89 HydrophobicContact CB-CZ2 4.4Å; F70-W89 HydrophobicContact CD1-CZ2 4.14Å; F70-W89 WeakPolarHBondContact O-CH2 3.36Å; E73-W89 HydrophobicContact CB-CZ2 3.57Å; E73-W89 PolarHBondContact OE2-NE1 2.71Å; A77-W89 HydrophobicContact CB-CB 3.54Å; A77-W89 HydrophobicContact CB-CD2 4.2Å; A77-W89 HydrophobicContact CB-CG 3.72Å; G85-W89 WeakPolarHBondContact O-CB 3.2Å; G85-W89 PolarHBondContact O-N 3.24Å; L86-W89 HydrophobicContact CD1-CE3 3.83Å; L86-W89 HydrophobicContact CD1-CZ3 4.1Å; L86-W89 PolarHBondContact O-N 2.8Å; W89-F91 PolarHBondContact O-N 3.41Å; W89-M92 PolarHBondContact O-N 3.39Å; W89-M92 VanDerWaalsContact O-N 3.16Å; W89-Q93 HydrophobicContact CD2-CG 4.19Å; W89-Q93 HydrophobicContact CZ2-CG 3.89Å; W89-Q93 PolarHBondContact O-N 2.77Å; W89-L159 HydrophobicContact CH2-CD1 3.31Å; W89-L159 HydrophobicContact CZ2-CD1 4.05Å; W89-L159 HydrophobicContact CZ3-CD1 3.78Å
90L97.3Very high95.2Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-64.5-41.2-179.3-174.856.3000111.5L86 K87 M92 Q93 L94 L124 L145 L155 L159 F179L86-L90 WeakPolarHBondContact O-CB 3.3Å; L86-L90 PolarHBondContact O-N 3.42Å; K87-L90 PolarHBondContact O-N 3.48Å; L90-M92 VanDerWaalsContact C-N 3.35Å; L90-M92 PolarHBondContact O-N 3.09Å; L90-Q93 PolarHBondContact O-N 3.24Å; L90-L94 HydrophobicContact CD1-CD1 4.2Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.02Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 WeakPolarHBondContact O-CD1 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.22Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.84Å; L90-L124 HydrophobicContact CB-CD2 3.86Å; L90-L124 HydrophobicContact CD2-CD2 3.79Å; L90-L124 HydrophobicContact CG-CD2 3.6Å; L90-L145 HydrophobicContact CD2-CD1 4.42Å; L90-L145 HydrophobicContact CD2-CD2 4.27Å; L90-L155 HydrophobicContact CD2-CD2 3.87Å; L90-L159 HydrophobicContact CD1-CD1 3.86Å; L90-L159 HydrophobicContact CD1-CD2 3.98Å; L90-L159 HydrophobicContact CD1-CG 4.11Å; L90-F179 HydrophobicContact CD1-CE1 4.49Å; L90-F179 HydrophobicContact CD1-CZ 4.29Å; L90-F179 HydrophobicContact CD2-CB 4.29Å; L90-F179 HydrophobicContact CD2-CD1 3.8Å; L90-F179 HydrophobicContact CD2-CD2 4.11Å; L90-F179 HydrophobicContact CD2-CE1 4.08Å; L90-F179 HydrophobicContact CD2-CE2 4.38Å; L90-F179 HydrophobicContact CD2-CG 3.8Å; L90-F179 HydrophobicContact CD2-CZ 4.35Å
91F97.5Very high95.5Very high90 Ų9047.2 Ų47.240%0.39526%0.259SS..Hα-helixtrans-57.5-45.3171.5-179.7-85.2000111.7K87 Q88 W89 N95 V101 L124K87-F91 WeakPolarHBondContact O-CB 3.13Å; K87-F91 PolarHBondContact O-N 3.37Å; Q88-F91 PolarHBondContact O-N 2.93Å; W89-F91 PolarHBondContact O-N 3.41Å; F91-N95 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N95 WeakPolarHBondContact CE1-ND2 3.43Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.41Å; F91-N95 PolarHBondContact O-N 3.01Å; F91-N95 PolarHBondContact O-ND2 2.75Å; F91-V101 HydrophobicContact CD2-CB 4.38Å; F91-V101 HydrophobicContact CD2-CG1 3.61Å; F91-V101 HydrophobicContact CE2-CB 4.23Å; F91-V101 HydrophobicContact CE2-CG1 3.92Å; F91-V101 HydrophobicContact CG-CG1 4.32Å; F91-L124 HydrophobicContact CB-CD1 4.16Å; F91-L124 HydrophobicContact CB-CD2 4.46Å; F91-L124 HydrophobicContact CD2-CD1 3.76Å; F91-L124 HydrophobicContact CG-CD1 4.46Å
92M97.6Very high95.8Very high115 Ų11545.3 Ų45.357%0.56724%0.244SC*.Hα-helixtrans-65-42.9177.5-70.2-173.6-64.400112.5Q88 W89 L90 N95 T96Q88-M92 WeakPolarHBondContact O-CG 2.95Å; Q88-M92 PolarHBondContact O-N 3.41Å; Q88-M92 VanDerWaalsContact O-N 3.1Å; W89-M92 PolarHBondContact O-N 3.39Å; W89-M92 VanDerWaalsContact O-N 3.16Å; L90-M92 VanDerWaalsContact C-N 3.35Å; L90-M92 PolarHBondContact O-N 3.09Å; M92-N95 PolarHBondContact O-N 3.38Å; M92-T96 WeakPolarHBondContact O-CB 3.33Å; M92-T96 PolarHBondContact O-N 3.09Å; M92-T96 PolarHBondContact O-OG1 3.5Å
93Q97.8Very high96Very high34 Ų3446.9 Ų46.916%0.15925%0.251CS..Hα-helixtrans-67.6-42.5-179.1-69.9-64.35.400112.2F70 E73 W89 L90 N95 T96 I97 L159F70-Q93 HydrophobicContact CE1-CG 4.32Å; E73-Q93 PolarHBondContact OE2-NE2 3.22Å; W89-Q93 HydrophobicContact CD2-CG 4.19Å; W89-Q93 HydrophobicContact CZ2-CG 3.89Å; W89-Q93 PolarHBondContact O-N 2.77Å; L90-Q93 PolarHBondContact O-N 3.24Å; Q93-N95 VanDerWaalsContact C-N 3.32Å; Q93-N95 PolarHBondContact O-N 3.1Å; Q93-T96 PolarHBondContact O-N 2.93Å; Q93-I97 WeakPolarHBondContact O-CG1 3.47Å; Q93-I97 PolarHBondContact O-N 2.96Å; Q93-L159 HydrophobicContact CB-CD1 4.23Å; Q93-L159 HydrophobicContact CB-CD2 3.94Å
94L97.8Very high96.3Very high0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-61.9-38.4175.6-66165.9000112.2L90 I97 G98 L99 V101 L124 L159 F179L90-L94 HydrophobicContact CD1-CD1 4.2Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.02Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 WeakPolarHBondContact O-CD1 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.22Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.84Å; L94-I97 PolarHBondContact O-N 3.43Å; L94-G98 PolarHBondContact O-N 2.79Å; L94-L99 HydrophobicContact CB-CD1 4.23Å; L94-L99 HydrophobicContact CD2-CD1 3.6Å; L94-L99 WeakPolarHBondContact O-CB 3.48Å; L94-L99 PolarHBondContact O-N 3.4Å; L94-V101 HydrophobicContact CB-CG1 4.15Å; L94-V101 HydrophobicContact CB-CG2 3.55Å; L94-V101 HydrophobicContact CD1-CG1 4.15Å; L94-L124 HydrophobicContact CD1-CD2 4.04Å; L94-L124 HydrophobicContact CD1-CG 4.37Å; L94-L159 HydrophobicContact CD2-CD2 3.75Å; L94-L159 HydrophobicContact CG-CD2 4.11Å; L94-F179 HydrophobicContact CD1-CD2 4.23Å; L94-F179 HydrophobicContact CD1-CE2 3.64Å; L94-F179 HydrophobicContact CD1-CZ 4.41Å; L94-F179 HydrophobicContact CD2-CE2 4.14Å; L94-F179 HydrophobicContact CD2-CZ 4.33Å
95N97.1Very high96.5Very high70 Ų7046 Ų4637%0.37424%0.244SC..Hα-helixtrans-69-39.2174-82.1-75.7000111.9F91 M92 Q93 I97 G98 V101F91-N95 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N95 WeakPolarHBondContact CE1-ND2 3.43Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.41Å; F91-N95 PolarHBondContact O-N 3.01Å; F91-N95 PolarHBondContact O-ND2 2.75Å; M92-N95 PolarHBondContact O-N 3.38Å; Q93-N95 VanDerWaalsContact C-N 3.32Å; Q93-N95 PolarHBondContact O-N 3.1Å; N95-I97 VanDerWaalsContact C-N 3.26Å; N95-I97 PolarHBondContact O-N 3.17Å; N95-G98 WeakPolarHBondContact O-CA 3.35Å; N95-G98 PolarHBondContact O-N 3.18Å; N95-V101 HydrophobicContact CB-CG2 4.32Å; N95-V101 WeakPolarHBondContact ND2-CB 3.36Å; N95-V101 WeakPolarHBondContact ND2-CG2 3.36Å
96T97.2Very high96.7Very high110 Ų11046.1 Ų46.168%0.67524%0.243SC*.Hα-helixtrans-64-33.1177.1-59.20000111.9M92 Q93 G98M92-T96 WeakPolarHBondContact O-CB 3.33Å; M92-T96 PolarHBondContact O-N 3.09Å; M92-T96 PolarHBondContact O-OG1 3.5Å; Q93-T96 PolarHBondContact O-N 2.93Å; T96-G98 PolarHBondContact O-N 2.9Å
97I96.4Very high96.6Very high25 Ų2547.8 Ų47.813%0.12825%0.254CS..THydrogen-bonded Turntrans-70.9-16.4172.3-69165.5000112F70 Q93 L94 N95 L99 L159 K163 R166F70-I97 HydrophobicContact CZ-CD1 4.42Å; Q93-I97 WeakPolarHBondContact O-CG1 3.47Å; Q93-I97 PolarHBondContact O-N 2.96Å; L94-I97 PolarHBondContact O-N 3.43Å; N95-I97 VanDerWaalsContact C-N 3.26Å; N95-I97 PolarHBondContact O-N 3.17Å; I97-L99 HydrophobicContact CB-CG 4.46Å; I97-L99 HydrophobicContact CG2-CD1 4.24Å; I97-L99 HydrophobicContact CG2-CD2 4.39Å; I97-L99 HydrophobicContact CG2-CG 4.01Å; I97-L159 HydrophobicContact CD1-CB 4.36Å; I97-L159 HydrophobicContact CD1-CD2 3.7Å; I97-L159 WeakPolarHBondContact CD1-O 3.42Å; I97-K163 HydrophobicContact CD1-CB 4.44Å; I97-K163 HydrophobicContact CG1-CB 4.4Å; I97-R166 HydrophobicContact CG2-CB 4.39Å; I97-R166 WeakPolarHBondContact O-CG 3.2Å
98G95.4Very high96.4Very high37 Ų3746.3 Ų46.338%0.38125%0.248SC..THydrogen-bonded Turntrans84.838.7178.600000114L94 N95 T96 R166L94-G98 PolarHBondContact O-N 2.79Å; N95-G98 WeakPolarHBondContact O-CA 3.35Å; N95-G98 PolarHBondContact O-N 3.18Å; T96-G98 PolarHBondContact O-N 2.9Å; G98-R166 PolarHBondContact O-NE 3.46Å
99L96.5Very high96.1Very high12 Ų1243 Ų436%0.06324%0.237CC..  trans-96.4158.3172.9-55.6175.1000111.2L94 I97 V101 M128 F177L94-L99 HydrophobicContact CB-CD1 4.23Å; L94-L99 HydrophobicContact CD2-CD1 3.6Å; L94-L99 WeakPolarHBondContact O-CB 3.48Å; L94-L99 PolarHBondContact O-N 3.4Å; I97-L99 HydrophobicContact CB-CG 4.46Å; I97-L99 HydrophobicContact CG2-CD1 4.24Å; I97-L99 HydrophobicContact CG2-CD2 4.39Å; I97-L99 HydrophobicContact CG2-CG 4.01Å; L99-V101 HydrophobicContact CB-CG2 4.25Å; L99-V101 PolarHBondContact O-N 3.39Å; L99-M128 HydrophobicContact CD2-CB 3.65Å; L99-M128 HydrophobicContact CD2-CG 3.97Å; L99-F177 HydrophobicContact CD1-CD2 3.88Å; L99-F177 HydrophobicContact CD1-CE2 3.96Å; L99-F177 HydrophobicContact CD2-CE2 4.21Å
100E96.8Very high95.3Very high61 Ų6142.4 Ų42.429%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-81.4103.9169.2-62.8172.8-164.300108.7Y102 G126 I127 R129E100-Y102 HydrophobicContact CB-CE2 3.71Å; E100-G126 CarbonylContact O-C 3.58Å; E100-G126 WeakPolarHBondContact O-CA 3.47Å; E100-I127 HydrophobicContact CB-CB 4.35Å; E100-I127 PolarHBondContact N-O 3.18Å; E100-I127 PolarHBondContact O-N 3.18Å; E100-R129 WeakPolarHBondContact OE1-CG 3.29Å; E100-R129 IonicContact OE1-NE 2.69Å; E100-R129 PolarHBondContact OE1-NE 2.68Å; E100-R129 IonicContact OE2-CZ 3.9Å; E100-R129 IonicContact OE2-NE 3.27Å; E100-R129 PolarHBondContact OE2-NE 3.3Å; E100-R129 IonicContact OE2-NH2 2.71Å; E100-R129 PolarHBondContact OE2-NH2 3.4Å
101V97.8Very high94.2Very high17 Ų1746.6 Ų46.610%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-105.5133.4-171.4-1640000111.8F91 L94 N95 L99 L124F91-V101 HydrophobicContact CD2-CB 4.38Å; F91-V101 HydrophobicContact CD2-CG1 3.61Å; F91-V101 HydrophobicContact CE2-CB 4.23Å; F91-V101 HydrophobicContact CE2-CG1 3.92Å; F91-V101 HydrophobicContact CG-CG1 4.32Å; L94-V101 HydrophobicContact CB-CG1 4.15Å; L94-V101 HydrophobicContact CB-CG2 3.55Å; L94-V101 HydrophobicContact CD1-CG1 4.15Å; N95-V101 HydrophobicContact CB-CG2 4.32Å; N95-V101 WeakPolarHBondContact ND2-CB 3.36Å; N95-V101 WeakPolarHBondContact ND2-CG2 3.36Å; L99-V101 HydrophobicContact CB-CG2 4.25Å; L99-V101 PolarHBondContact O-N 3.39Å; V101-L124 HydrophobicContact CG1-CD1 3.81Å
102Y97.7Very high92.9Very high65 Ų6543 Ų4326%0.25524%0.242SC..EExtended strand (participates in β ladder)trans-137.8150.9-175.5-57.9-82.4000111.7E100 Y125 I127 G209E100-Y102 HydrophobicContact CB-CE2 3.71Å; Y102-Y125 WeakPolarHBondContact CB-OH 3.46Å; Y102-Y125 HydrophobicContact CD2-CD2 4.26Å; Y102-Y125 AromaticContact CD2-CE2 3.68Å; Y102-Y125 HydrophobicContact CD2-CE2 3.68Å; Y102-Y125 AromaticContact CG-CE2 4Å; Y102-Y125 HydrophobicContact CG-CE2 4Å; Y102-Y125 AromaticContact CG-CZ 3.97Å; Y102-Y125 PolarHBondContact N-O 3.29Å; Y102-Y125 PolarHBondContact O-N 3.11Å; Y102-I127 HydrophobicContact CE2-CD1 4.26Å; Y102-G209 WeakPolarHBondContact CE1-O 3.41Å
103S96.5Very high91.4Very high57 Ų5739.2 Ų39.240%0.39922%0.224SC..EExtended strand (participates in β ladder)trans-104.7155.3163.8-132.30000109.5S122 N123S103-S122 PolarHBondContact OG-OG 2.85Å; S103-N123 CarbonylContact C-O 3.55Å; S103-N123 VanDerWaalsContact CA-O 3.29Å; S103-N123 WeakPolarHBondContact CA-O 3.43Å; S103-N123 PolarHBondContact OG-O 3.22Å
104Q96.4Very high89.5Confident1 Ų138.8 Ų38.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-135.4119.9169.3177.3-149.420.600108.7S122 N123 Y125 A189 W190 S206 L208Q104-S122 CarbonylContact O-C 3.34Å; Q104-S122 VanDerWaalsContact O-CA 3.25Å; Q104-S122 WeakPolarHBondContact O-CA 3.28Å; Q104-N123 HydrophobicContact CB-CB 4.39Å; Q104-N123 PolarHBondContact N-O 2.86Å; Q104-N123 PolarHBondContact O-N 3.15Å; Q104-N123 PolarHBondContact OE1-ND2 3.44Å; Q104-Y125 HydrophobicContact CB-CE1 4.11Å; Q104-A189 PolarHBondContact NE2-O 3.19Å; Q104-W190 VanDerWaalsContact OE1-CA 3.28Å; Q104-S206 WeakPolarHBondContact CG-OG 3.14Å; Q104-S206 PolarHBondContact NE2-O 2.84Å; Q104-L208 HydrophobicContact CB-CD2 3.87Å; Q104-L208 HydrophobicContact CG-CD2 3.7Å
105D96.4Very high87.6Confident99 Ų9944.5 Ų44.553%0.52926%0.262SS..EExtended strand (participates in β ladder)trans-85.4143.5178.9-62.4-23.3000110.6S122 S206D105-S122 WeakPolarHBondContact OD1-CB 3.45Å; D105-S122 PolarHBondContact OD1-OG 3.01Å; D105-S206 PolarHBondContact N-OG 3.37Å; D105-S206 WeakPolarHBondContact O-CB 3.35Å; D105-S206 PolarHBondContact O-N 3.08Å; D105-S206 PolarHBondContact O-OG 3.12Å
106F95.3Very high85.8Confident9 Ų946.3 Ų46.34%0.03927%0.271CS..EExtended strand (participates in β ladder)trans-144.9156.1176.766.3-88.6000111.7N120 G121 N123 E181 Y182 I185 G186 A189 F204 W205F106-N120 WeakPolarHBondContact O-CA 3.47Å; F106-G121 WeakPolarHBondContact CD1-O 3.23Å; F106-G121 VanDerWaalsContact CE1-C 3.47Å; F106-G121 PolarHBondContact N-O 3.05Å; F106-G121 PolarHBondContact O-N 2.87Å; F106-N123 WeakPolarHBondContact CE1-OD1 3.47Å; F106-E181 HydrophobicContact CE1-CB 4.36Å; F106-E181 HydrophobicContact CZ-CB 4.29Å; F106-E181 WeakPolarHBondContact CZ-O 3.4Å; F106-Y182 HydrophobicContact CE2-CD2 4.26Å; F106-Y182 HydrophobicContact CZ-CD2 4.04Å; F106-I185 HydrophobicContact CD2-CG2 4.26Å; F106-I185 HydrophobicContact CE2-CG2 3.81Å; F106-G186 VanDerWaalsContact CZ-CA 3.43Å; F106-A189 HydrophobicContact CB-CB 3.64Å; F106-A189 HydrophobicContact CD1-CB 4.19Å; F106-A189 HydrophobicContact CD2-CB 4.2Å; F106-A189 HydrophobicContact CG-CB 3.76Å; F106-F204 CarbonylContact C-O 3.6Å; F106-F204 VanDerWaalsContact CA-O 3.23Å; F106-F204 WeakPolarHBondContact CA-O 3.46Å; F106-F204 WeakPolarHBondContact CB-O 3.3Å; F106-W205 HydrophobicContact CB-CB 4.42Å
107S93.6Very high84.3Confident34 Ų3450.3 Ų50.324%0.23828%0.279CS..EExtended strand (participates in β ladder)trans-133.9136.1168.961.20000110.9I119 N120 F204S107-I119 CarbonylContact C-O 3.42Å; S107-I119 VanDerWaalsContact CA-O 3.29Å; S107-I119 WeakPolarHBondContact CA-O 3.47Å; S107-N120 WeakPolarHBondContact CB-OD1 3.38Å; S107-F204 PolarHBondContact N-O 2.69Å; S107-F204 PolarHBondContact O-N 3.26Å
108F91.3Very high83.6Confident2 Ų251.2 Ų51.21%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-117.7115.9179.3179.8-119.3000108.8H110 L113 S118 I119 I185 N202 L203 I685 L689F108-H110 HydrophobicContact CE1-CB 3.94Å; F108-H110 HydrophobicContact CE2-CB 4.34Å; F108-H110 HydrophobicContact CZ-CB 3.79Å; F108-H110 AromaticContact CZ-CD2 3.92Å; F108-L113 HydrophobicContact CD1-CD1 3.65Å; F108-L113 HydrophobicContact CE1-CD1 3.87Å; F108-S118 CarbonylContact O-C 3.44Å; F108-S118 WeakPolarHBondContact O-CA 3.32Å; F108-I119 PolarHBondContact N-O 3.43Å; F108-I119 PolarHBondContact O-N 3Å; F108-I185 HydrophobicContact CB-CG2 3.6Å; F108-I185 HydrophobicContact CD1-CD1 3.76Å; F108-I185 HydrophobicContact CD1-CG1 4.33Å; F108-I185 HydrophobicContact CD1-CG2 4.07Å; F108-I185 HydrophobicContact CD2-CG2 4.31Å; F108-I185 HydrophobicContact CE1-CD1 3.99Å; F108-I185 HydrophobicContact CE1-CG1 4.45Å; F108-I185 HydrophobicContact CG-CG2 3.76Å; F108-N202 WeakPolarHBondContact CA-O 3.22Å; F108-N202 HydrophobicContact CD2-CB 4.18Å; F108-N202 VanDerWaalsContact CD2-O 3.29Å; F108-N202 WeakPolarHBondContact CD2-O 3.15Å; F108-N202 HydrophobicContact CE2-CB 3.75Å; F108-L203 HydrophobicContact CB-CD1 3.86Å; F108-L203 HydrophobicContact CD2-CB 4.25Å; F108-L203 HydrophobicContact CD2-CD1 3.81Å; F108-L203 HydrophobicContact CG-CD1 4.24Å; F108-I685 HydrophobicContact CZ-CG2 4.45Å; F108-L689 HydrophobicContact CD2-CD2 4.11Å; F108-L689 HydrophobicContact CE2-CD2 3.5Å; F108-L689 VanDerWaalsContact CE2-CD2 3.5Å; F108-L689 HydrophobicContact CE2-CG 4.02Å; F108-L689 HydrophobicContact CZ-CD1 4.28Å; F108-L689 HydrophobicContact CZ-CD2 3.99Å; F108-L689 HydrophobicContact CZ-CG 4.05Å
109S87.5Confident83.2Confident40 Ų4051 Ų5128%0.2828%0.278SS..  trans-119.9103.6179.1590000109.6K117 N202S109-K117 WeakPolarHBondContact CB-O 3.35Å; S109-N202 PolarHBondContact N-O 3.13Å; S109-N202 WeakPolarHBondContact O-CB 3.41Å; S109-N202 PolarHBondContact O-OD1 2.87Å
110H82Confident83Confident12 Ų1255.6 Ų55.66%0.05630%0.302CS..  trans-123.6133.5176.9-176.4-8.2000108.1F108 I112 L113 N202 D688F108-H110 HydrophobicContact CE1-CB 3.94Å; F108-H110 HydrophobicContact CE2-CB 4.34Å; F108-H110 HydrophobicContact CZ-CB 3.79Å; F108-H110 AromaticContact CZ-CD2 3.92Å; H110-I112 PolarHBondContact O-N 3.06Å; H110-L113 HydrophobicContact CB-CD1 4.28Å; H110-L113 HydrophobicContact CB-CG 4.46Å; H110-L113 WeakPolarHBondContact O-CB 3.39Å; H110-L113 PolarHBondContact O-N 3.42Å; H110-N202 HydrophobicContact CB-CB 4.43Å; H110-D688 IonicContact CE1-OD2 3.55Å
111D73.5Confident82.8Confident89 Ų8953.1 Ų53.148%0.47629%0.293SS..G310 helixtrans-37.7-49.2178.2-77-37.3000113L113 S114 F517D111-L113 PolarHBondContact O-N 3.44Å; D111-S114 WeakPolarHBondContact O-CB 3.42Å; D111-S114 PolarHBondContact O-N 3.23Å; D111-F517 HydrophobicContact CB-CD1 4.12Å; D111-F517 WeakPolarHBondContact O-CD1 3.18Å; D111-F517 WeakPolarHBondContact O-CE1 3.29Å; D111-F517 VanDerWaalsContact O-CZ 3.27Å; D111-F517 WeakPolarHBondContact O-CZ 3.39Å
112I70.3Confident82.6Confident14 Ų1453 Ų537%0.07229%0.293CS..G310 helixtrans-50.3-29.6-177.9-69.3-179.3000114.1H110 S114 F517 L681 L684 I685H110-I112 PolarHBondContact O-N 3.06Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3Å; I112-F517 HydrophobicContact CG1-CD2 4.39Å; I112-F517 VanDerWaalsContact O-CZ 3.32Å; I112-F517 WeakPolarHBondContact O-CZ 3.3Å; I112-L681 HydrophobicContact CD1-CD2 4.35Å; I112-L681 HydrophobicContact CG2-CD1 4.35Å; I112-L681 HydrophobicContact CG2-CD2 3.81Å; I112-L684 HydrophobicContact CD1-CB 3.8Å; I112-L684 HydrophobicContact CD1-CD1 3.82Å; I112-L684 HydrophobicContact CD1-CG 4.46Å; I112-I685 HydrophobicContact CD1-CG1 4.42Å; I112-I685 HydrophobicContact CG2-CD1 4.32Å
113L65.3Low82.6Confident36 Ų3650 Ų5019%0.18828%0.281CS..G310 helixtrans-78.7-12.3-176.4-64.4172.7000113.8F108 H110 D111 L116 I119F108-L113 HydrophobicContact CD1-CD1 3.65Å; F108-L113 HydrophobicContact CE1-CD1 3.87Å; H110-L113 HydrophobicContact CB-CD1 4.28Å; H110-L113 HydrophobicContact CB-CG 4.46Å; H110-L113 WeakPolarHBondContact O-CB 3.39Å; H110-L113 PolarHBondContact O-N 3.42Å; D111-L113 PolarHBondContact O-N 3.44Å; L113-L116 CarbonylContact C-O 3.47Å; L113-L116 HydrophobicContact CB-CB 4.46Å; L113-L116 VanDerWaalsContact O-CB 3.29Å; L113-L116 WeakPolarHBondContact O-CB 3.48Å; L113-L116 PolarHBondContact O-N 3Å; L113-I119 HydrophobicContact CD1-CD1 3.78Å; L113-I119 HydrophobicContact CD1-CG1 4.06Å; L113-I119 HydrophobicContact CD2-CD1 3.91Å; L113-I119 HydrophobicContact CG-CD1 4.5Å
114S58.8Low82.6Confident25 Ų2547.3 Ų47.318%0.17526%0.262CS..THydrogen-bonded Turntrans-56.3139.3-177.5119.10000111.2D111 I112 N521 L536D111-S114 WeakPolarHBondContact O-CB 3.42Å; D111-S114 PolarHBondContact O-N 3.23Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3Å; S114-N521 PolarHBondContact OG-ND2 2.91Å; S114-N521 VanDerWaalsContact OG-ND2 3.08Å; S114-L536 WeakPolarHBondContact O-CD2 3.46Å; S114-L536 WeakPolarHBondContact OG-CD2 3.21Å
115P57.8Low82.6Confident119 Ų11947.2 Ų47.277%0.77326%0.262SS*.THydrogen-bonded Turncis-80.8-1.415.132.7-37.6000116.1K117P115-K117 PolarHBondContact O-N 2.81Å
116L59.9Low82.7Confident109 Ų10942.5 Ų42.557%0.57124%0.237SC*.SBendtrans-69111.5169.7-59.2163.5000108.4L113 S118L113-L116 CarbonylContact C-O 3.47Å; L113-L116 HydrophobicContact CB-CB 4.46Å; L113-L116 VanDerWaalsContact O-CB 3.29Å; L113-L116 WeakPolarHBondContact O-CB 3.48Å; L113-L116 PolarHBondContact O-N 3Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.76Å
117K65Low82.8Confident194 Ų19442.2 Ų42.284%0.84324%0.236SC*.SBendtrans-64-35.8179.3-75-172.9174.3-176.40112.7S109 P115S109-K117 WeakPolarHBondContact CB-O 3.35Å; P115-K117 PolarHBondContact O-N 2.81Å
118S82.7Confident82.9Confident44 Ų4440.7 Ų40.731%0.30823%0.225SC..  trans-154.6155173.459.20000109.6F108 L116 N120F108-S118 CarbonylContact O-C 3.44Å; F108-S118 WeakPolarHBondContact O-CA 3.32Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.76Å; S118-N120 WeakPolarHBondContact CB-OD1 3.17Å; S118-N120 PolarHBondContact OG-OD1 3.29Å
119I86.8Confident83Confident32 Ų3242.6 Ų42.616%0.16423%0.232CC..EExtended strand (participates in β ladder)trans-92.8128.5157-66.4167.7000106.1S107 F108 L113 Y182S107-I119 CarbonylContact C-O 3.42Å; S107-I119 VanDerWaalsContact CA-O 3.29Å; S107-I119 WeakPolarHBondContact CA-O 3.47Å; F108-I119 PolarHBondContact N-O 3.43Å; F108-I119 PolarHBondContact O-N 3Å; L113-I119 HydrophobicContact CD1-CD1 3.78Å; L113-I119 HydrophobicContact CD1-CG1 4.06Å; L113-I119 HydrophobicContact CD2-CD1 3.91Å; L113-I119 HydrophobicContact CG-CD1 4.5Å; I119-Y182 HydrophobicContact CG2-CD1 4.34Å; I119-Y182 HydrophobicContact CG2-CD2 3.53Å; I119-Y182 HydrophobicContact CG2-CE1 4.19Å; I119-Y182 HydrophobicContact CG2-CE2 3.32Å; I119-Y182 HydrophobicContact CG2-CG 4.05Å
120N91.7Very high83.2Confident109 Ų10941 Ų4158%0.58322%0.221SC*.EExtended strand (participates in β ladder)trans-109.9132.3173.1-63.211.1000108F106 S107 S118F106-N120 WeakPolarHBondContact O-CA 3.47Å; S107-N120 WeakPolarHBondContact CB-OD1 3.38Å; S118-N120 WeakPolarHBondContact CB-OD1 3.17Å; S118-N120 PolarHBondContact OG-OD1 3.29Å
121G92.5Very high83.4Confident9 Ų943.8 Ų43.89%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-138.3172179.100000111.8F106 E181F106-G121 WeakPolarHBondContact CD1-O 3.23Å; F106-G121 VanDerWaalsContact CE1-C 3.47Å; F106-G121 PolarHBondContact N-O 3.05Å; F106-G121 PolarHBondContact O-N 2.87Å; G121-E181 WeakPolarHBondContact CA-OE2 3.35Å
122S94.6Very high83.7Confident15 Ų1543.5 Ų43.511%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-141.5110.8174.7-169.20000110.5K87 S103 Q104 D105 E181K87-S122 PolarHBondContact NZ-O 2.91Å; S103-S122 PolarHBondContact OG-OG 2.85Å; Q104-S122 CarbonylContact O-C 3.34Å; Q104-S122 VanDerWaalsContact O-CA 3.25Å; Q104-S122 WeakPolarHBondContact O-CA 3.28Å; D105-S122 WeakPolarHBondContact OD1-CB 3.45Å; D105-S122 PolarHBondContact OD1-OG 3.01Å; S122-E181 PolarHBondContact N-OE2 2.66Å
123N95.8Very high83.9Confident0 Ų043.9 Ų43.90%025%0.252CS..EExtended strand (participates in β ladder)trans-69.9138.6175.5-65.5-42.4000109.9S103 Q104 F106 P180 E181 G186S103-N123 CarbonylContact C-O 3.55Å; S103-N123 VanDerWaalsContact CA-O 3.29Å; S103-N123 WeakPolarHBondContact CA-O 3.43Å; S103-N123 PolarHBondContact OG-O 3.22Å; Q104-N123 HydrophobicContact CB-CB 4.39Å; Q104-N123 PolarHBondContact N-O 2.86Å; Q104-N123 PolarHBondContact O-N 3.15Å; Q104-N123 PolarHBondContact OE1-ND2 3.44Å; F106-N123 WeakPolarHBondContact CE1-OD1 3.47Å; N123-P180 VanDerWaalsContact OD1-CA 3.29Å; N123-P180 WeakPolarHBondContact OD1-CA 3.45Å; N123-E181 PolarHBondContact OD1-N 3.48Å; N123-E181 VanDerWaalsContact OD1-N 3.12Å; N123-G186 PolarHBondContact ND2-O 2.86Å; N123-G186 VanDerWaalsContact OD1-CA 3.23Å; N123-G186 WeakPolarHBondContact OD1-CA 3.42Å; N123-G186 PolarHBondContact OD1-O 3.46Å
124L97Very high84.7Confident1 Ų145.2 Ų45.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-104136.817017970.8000109.2K87 L90 F91 L94 V101 L145 F179K87-L124 HydrophobicContact CD-CB 4.34Å; K87-L124 HydrophobicContact CG-CB 4.32Å; K87-L124 HydrophobicContact CG-CD2 4.33Å; L90-L124 HydrophobicContact CB-CD2 3.86Å; L90-L124 HydrophobicContact CD2-CD2 3.79Å; L90-L124 HydrophobicContact CG-CD2 3.6Å; F91-L124 HydrophobicContact CB-CD1 4.16Å; F91-L124 HydrophobicContact CB-CD2 4.46Å; F91-L124 HydrophobicContact CD2-CD1 3.76Å; F91-L124 HydrophobicContact CG-CD1 4.46Å; L94-L124 HydrophobicContact CD1-CD2 4.04Å; L94-L124 HydrophobicContact CD1-CG 4.37Å; V101-L124 HydrophobicContact CG1-CD1 3.81Å; L124-L145 HydrophobicContact CB-CD1 4.41Å; L124-F179 HydrophobicContact CB-CB 4.27Å; L124-F179 HydrophobicContact CD2-CD2 4.45Å; L124-F179 HydrophobicContact CG-CD2 4.39Å; L124-F179 PolarHBondContact N-O 3.33Å; L124-F179 WeakPolarHBondContact O-CA 3.47Å; L124-F179 WeakPolarHBondContact O-CB 3.24Å; L124-F179 PolarHBondContact O-N 2.78Å
125Y97.7Very high86Confident0 Ų050.1 Ų50.10%029%0.29CS..EExtended strand (participates in β ladder)trans-144.1149.8169.662.2-77.3000112.5Y102 Q104 I127 F177 W190 L208 G209 G210Y102-Y125 WeakPolarHBondContact CB-OH 3.46Å; Y102-Y125 HydrophobicContact CD2-CD2 4.26Å; Y102-Y125 AromaticContact CD2-CE2 3.68Å; Y102-Y125 HydrophobicContact CD2-CE2 3.68Å; Y102-Y125 AromaticContact CG-CE2 4Å; Y102-Y125 HydrophobicContact CG-CE2 4Å; Y102-Y125 AromaticContact CG-CZ 3.97Å; Y102-Y125 PolarHBondContact N-O 3.29Å; Y102-Y125 PolarHBondContact O-N 3.11Å; Q104-Y125 HydrophobicContact CB-CE1 4.11Å; Y125-I127 HydrophobicContact CD2-CD1 4.49Å; Y125-I127 HydrophobicContact CD2-CG1 4.23Å; Y125-I127 HydrophobicContact CE2-CD1 4.3Å; Y125-I127 HydrophobicContact CE2-CG1 4.5Å; Y125-F177 CarbonylContact C-O 3.56Å; Y125-F177 WeakPolarHBondContact CA-O 3.16Å; Y125-F177 WeakPolarHBondContact CB-O 3.26Å; Y125-W190 AromaticContact CD1-CD1 3.86Å; Y125-W190 AromaticContact CD1-NE1 3.46Å; Y125-W190 AromaticContact CD2-NE1 3.92Å; Y125-W190 AromaticContact CE1-NE1 3.75Å; Y125-W190 AromaticContact CG-NE1 3.58Å; Y125-L208 HydrophobicContact CE1-CD2 3.95Å; Y125-L208 WeakPolarHBondContact OH-CB 3.23Å; Y125-G209 PolarHBondContact OH-N 3.44Å; Y125-G210 WeakPolarHBondContact CE2-O 3.44Å; Y125-G210 PolarHBondContact OH-N 3.27Å; Y125-G210 PolarHBondContact OH-O 3Å
126G97.3Very high87.6Confident0 Ų049.3 Ų49.30%028%0.283CS..EExtended strand (participates in β ladder)trans-124136.7173.700000110.9E100 F177E100-G126 CarbonylContact O-C 3.58Å; E100-G126 WeakPolarHBondContact O-CA 3.47Å; G126-F177 PolarHBondContact N-O 3.48Å; G126-F177 PolarHBondContact O-N 3.11Å
127I97.3Very high89.2Confident2 Ų245.9 Ų45.91%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-109.1121.3176.6-49.9179.1000109.4E100 Y102 Y125 D174E100-I127 HydrophobicContact CB-CB 4.35Å; E100-I127 PolarHBondContact N-O 3.18Å; E100-I127 PolarHBondContact O-N 3.18Å; Y102-I127 HydrophobicContact CE2-CD1 4.26Å; Y125-I127 HydrophobicContact CD2-CD1 4.49Å; Y125-I127 HydrophobicContact CD2-CG1 4.23Å; Y125-I127 HydrophobicContact CE2-CD1 4.3Å; Y125-I127 HydrophobicContact CE2-CG1 4.5Å; I127-D174 HydrophobicContact CG2-CB 4.4Å
128M95.8Very high90.6Very high2 Ų236.6 Ų36.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-88.4117.6161.5-168.5-174.881.900108.6L99 F165 R166 W171 D174 I175 F177L99-M128 HydrophobicContact CD2-CB 3.65Å; L99-M128 HydrophobicContact CD2-CG 3.97Å; M128-F165 HydrophobicContact CE-CB 4.09Å; M128-F165 VanDerWaalsContact SD-C 3.57Å; M128-F165 HydrophobicContact SD-CB 3.66Å; M128-R166 HydrophobicContact SD-CB 4.47Å; M128-W171 HydrophobicContact CE-CB 3.88Å; M128-W171 HydrophobicContact CE-CD2 4.24Å; M128-W171 HydrophobicContact CE-CG 3.64Å; M128-D174 CarbonylContact O-C 3.6Å; M128-D174 VanDerWaalsContact O-CA 3.26Å; M128-D174 WeakPolarHBondContact O-CA 3.45Å; M128-D174 WeakPolarHBondContact O-CB 3.32Å; M128-I175 HydrophobicContact CB-CB 4.26Å; M128-I175 HydrophobicContact CE-CB 4.3Å; M128-I175 HydrophobicContact CE-CD1 3.61Å; M128-I175 HydrophobicContact CE-CG1 3.85Å; M128-I175 PolarHBondContact N-O 2.76Å; M128-I175 PolarHBondContact O-N 2.83Å; M128-F177 HydrophobicContact CB-CE2 4.06Å
129R94.5Very high91.3Very high42 Ų4234.6 Ų34.616%0.15821%0.209CC..PPolyproline II helixtrans-75.1134.6172.3-59.6-57.3-175.8-179.5-7.6111E100 P131 D174 R211E100-R129 WeakPolarHBondContact OE1-CG 3.29Å; E100-R129 IonicContact OE1-NE 2.69Å; E100-R129 PolarHBondContact OE1-NE 2.68Å; E100-R129 IonicContact OE2-CZ 3.9Å; E100-R129 IonicContact OE2-NE 3.27Å; E100-R129 PolarHBondContact OE2-NE 3.3Å; E100-R129 IonicContact OE2-NH2 2.71Å; E100-R129 PolarHBondContact OE2-NH2 3.4Å; R129-P131 WeakPolarHBondContact O-CD 3.25Å; R129-D174 WeakPolarHBondContact CA-OD1 3.42Å; R129-D174 WeakPolarHBondContact CD-OD2 3.46Å; R129-D174 IonicContact CZ-OD2 2.96Å; R129-D174 IonicContact NE-OD2 3.42Å; R129-D174 IonicContact NH1-OD2 3.82Å; R129-D174 PolarHBondContact NH1-OD2 3.04Å; R129-R211 PolarHBondContact NH1-O 3.22Å; R129-R211 PolarHBondContact NH2-O 3.27Å
130S92Very high91.8Very high6 Ų633.2 Ų33.24%0.04220%0.202CC..PPolyproline II helixtrans-54.1124169.1420000110.8S132 G133 W171 D174S130-S132 VanDerWaalsContact C-N 3.31Å; S130-G133 WeakPolarHBondContact OG-CA 3.43Å; S130-W171 WeakPolarHBondContact CA-O 3.18Å; S130-W171 WeakPolarHBondContact CB-O 3.28Å; S130-D174 WeakPolarHBondContact CB-OD1 3.38Å; S130-D174 PolarHBondContact N-OD1 3.34Å; S130-D174 PolarHBondContact OG-OD1 3.37Å
131P85.9Confident92.1Very high71 Ų7128.3 Ų28.346%0.46118%0.176SC..SBendtrans-72.4-25177-2235.7000113.5R129 W171R129-P131 WeakPolarHBondContact O-CD 3.25Å; P131-W171 WeakPolarHBondContact CD-O 3.43Å
132S78.6Confident92.3Very high83 Ų8328 Ų2858%0.5817%0.172SC*.SBendtrans-121.9-3.1-176.347.50000113.5S130 I169 W171S130-S132 VanDerWaalsContact C-N 3.31Å; S132-I169 PolarHBondContact OG-O 2.85Å; S132-W171 PolarHBondContact OG-O 2.72Å
133G75.5Confident92.4Very high22 Ų2227.3 Ų27.323%0.22717%0.167CC..SBendtrans-93.6157.8-177.600000114.2S130 R135 A172S130-G133 WeakPolarHBondContact OG-CA 3.43Å; G133-R135 PolarHBondContact O-N 3.29Å; G133-A172 VanDerWaalsContact CA-O 3.26Å; G133-A172 WeakPolarHBondContact CA-O 3.2Å
134G80.4Confident92.2Very high65 Ų6527.3 Ų27.367%0.6717%0.168SC*.  trans-75.93.8176.200000115T136G134-T136 PolarHBondContact O-N 3.15Å
135R86.4Confident91.7Very high127 Ų12727.4 Ų27.448%0.47917%0.168SC..SBendtrans5711.4-172.1-51.7178.9-179.3-159.1-1.7115.1G133 E137 G213G133-R135 PolarHBondContact O-N 3.29Å; R135-E137 VanDerWaalsContact C-N 3.27Å; R135-E137 PolarHBondContact O-N 3.16Å; R135-G213 WeakPolarHBondContact O-CA 3.27Å; R135-G213 PolarHBondContact O-N 3.45Å
136T91Very high90.2Very high102 Ų10227.7 Ų27.763%0.62617%0.171SC*.SBendtrans-77.5-11.2176.746.80000113.4G134 G213 S214G134-T136 PolarHBondContact O-N 3.15Å; T136-G213 CarbonylContact O-C 3.55Å; T136-G213 WeakPolarHBondContact O-CA 3.37Å; T136-S214 PolarHBondContact O-N 2.84Å
137E94.3Very high88.3Confident37 Ų3733.4 Ų33.417%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-136.4148.1-176.3-59.6-166.913500111.5R135 K173 D174 S214 Q216R135-E137 VanDerWaalsContact C-N 3.27Å; R135-E137 PolarHBondContact O-N 3.16Å; E137-K173 HydrophobicContact CB-CB 4.34Å; E137-K173 HydrophobicContact CB-CD 4.35Å; E137-K173 HydrophobicContact CB-CG 3.83Å; E137-K173 WeakPolarHBondContact OE2-CE 3.43Å; E137-K173 WeakPolarHBondContact OE2-CG 3.33Å; E137-K173 IonicContact OE2-NZ 3.89Å; E137-K173 PolarHBondContact OE2-NZ 3.1Å; E137-D174 PolarHBondContact O-N 2.91Å; E137-S214 CarbonylContact C-O 3.51Å; E137-S214 WeakPolarHBondContact CA-O 3.3Å; E137-Q216 HydrophobicContact CB-CG 4.11Å; E137-Q216 HydrophobicContact CG-CG 4.21Å; E137-Q216 PolarHBondContact OE1-NE2 3.12Å
138A95.3Very high86.6Confident0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-136.7153.7178.300000112.4D174 I176 S214 I215 Q216A138-D174 CarbonylContact C-O 3.52Å; A138-D174 VanDerWaalsContact CA-O 3.28Å; A138-D174 WeakPolarHBondContact CA-O 3.41Å; A138-D174 HydrophobicContact CB-CB 4.34Å; A138-I176 HydrophobicContact CB-CD1 3.87Å; A138-I176 HydrophobicContact CB-CG1 4.18Å; A138-S214 PolarHBondContact N-O 3.21Å; A138-I215 HydrophobicContact CB-CG1 4.41Å; A138-I215 CarbonylContact O-C 3.54Å; A138-I215 WeakPolarHBondContact O-CA 3.48Å; A138-Q216 PolarHBondContact O-N 2.67Å
139L96.3Very high85.5Confident2 Ų242.7 Ų42.71%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-108146.3160.1-55.7-176.2000108.5K173 D174 I176 I345 N346L139-K173 HydrophobicContact CD2-CD 3.62Å; L139-K173 HydrophobicContact CG-CB 4.18Å; L139-K173 HydrophobicContact CG-CD 3.98Å; L139-D174 PolarHBondContact N-O 3.05Å; L139-I176 PolarHBondContact O-N 2.89Å; L139-I345 HydrophobicContact CD1-CB 4.49Å; L139-I345 HydrophobicContact CD1-CG2 4.21Å; L139-I345 HydrophobicContact CD2-CG2 3.51Å; L139-N346 HydrophobicContact CD1-CB 4.26Å
140V97.3Very high85Confident2 Ų241 Ų411%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-117.2132.5175.569.40000111.8I142 I176 L178 I215 A217 G218 L219 L305V140-I142 HydrophobicContact CG2-CG1 3.99Å; V140-I176 CarbonylContact C-O 3.55Å; V140-I176 WeakPolarHBondContact CA-O 3.24Å; V140-I176 HydrophobicContact CB-CB 4.4Å; V140-I176 HydrophobicContact CG2-CB 4.14Å; V140-I176 HydrophobicContact CG2-CG2 4.18Å; V140-L178 HydrophobicContact CG2-CB 4.03Å; V140-L178 HydrophobicContact CG2-CD2 4.39Å; V140-I215 HydrophobicContact CB-CG2 4.06Å; V140-I215 HydrophobicContact CG1-CG2 3.7Å; V140-A217 PolarHBondContact N-O 2.82Å; V140-A217 VanDerWaalsContact N-O 3.08Å; V140-G218 CarbonylContact O-C 3.5Å; V140-G218 VanDerWaalsContact O-CA 3.29Å; V140-G218 WeakPolarHBondContact O-CA 3.42Å; V140-L219 PolarHBondContact O-N 2.95Å; V140-L305 HydrophobicContact CG1-CD2 3.64Å
141I97.9Very high85Confident7 Ų741.6 Ų41.64%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-116.9123174.5-60.3162.5000107.4V158 I175 I176 F177 L178 L219 L221 L342I141-V158 HydrophobicContact CG2-CG2 3.89Å; I141-I175 HydrophobicContact CD1-CG2 3.64Å; I141-I175 HydrophobicContact CG1-CG2 4.32Å; I141-I176 PolarHBondContact N-O 2.85Å; I141-F177 HydrophobicContact CB-CD1 4.21Å; I141-F177 HydrophobicContact CD1-CD1 3.92Å; I141-F177 HydrophobicContact CD1-CE1 3.61Å; I141-L178 PolarHBondContact O-N 2.99Å; I141-L219 CarbonylContact C-O 3.53Å; I141-L219 VanDerWaalsContact CA-O 3.3Å; I141-L219 WeakPolarHBondContact CA-O 3.29Å; I141-L221 HydrophobicContact CG2-CD1 4.12Å; I141-L221 HydrophobicContact CG2-CG 4.44Å; I141-L342 HydrophobicContact CD1-CD1 3.52Å; I141-L342 HydrophobicContact CD1-CD2 3.86Å; I141-L342 HydrophobicContact CD1-CG 4.36Å; I141-L342 HydrophobicContact CG1-CD1 4.34Å; I141-L342 HydrophobicContact CG1-CD2 3.91Å
142I97.5Very high85.4Confident1 Ų139.9 Ų39.91%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-112.9132.2-170.6-55177000109.9V140 L178 P180 L187 L219 L221 L301 L305V140-I142 HydrophobicContact CG2-CG1 3.99Å; I142-L178 WeakPolarHBondContact CA-O 3.37Å; I142-L178 HydrophobicContact CD1-CD2 4.5Å; I142-L178 HydrophobicContact CG1-CB 4.38Å; I142-L178 HydrophobicContact CG1-CD2 4.33Å; I142-P180 HydrophobicContact CG2-CG 3.99Å; I142-L187 HydrophobicContact CD1-CD1 3.96Å; I142-L219 PolarHBondContact N-O 2.9Å; I142-L221 PolarHBondContact O-N 2.65Å; I142-L301 HydrophobicContact CG2-CB 4.21Å; I142-L301 HydrophobicContact CG2-CD1 3.88Å; I142-L305 HydrophobicContact CD1-CD1 3.67Å; I142-L305 HydrophobicContact CD1-CD2 3.85Å; I142-L305 HydrophobicContact CD1-CG 4.4Å
143T95.7Very high86.1Confident1 Ų136 Ų361%0.00621%0.207CC..  trans-142.1116.8171.9-67.30000110.4L145 S154 L155 L178 F179T143-L145 PolarHBondContact O-N 2.98Å; T143-S154 VanDerWaalsContact CG2-CB 3.49Å; T143-L155 HydrophobicContact CG2-CD2 3.62Å; T143-L155 HydrophobicContact CG2-CG 4.01Å; T143-L178 PolarHBondContact N-O 3.41Å; T143-F179 WeakPolarHBondContact O-CA 3.41Å
144S91.5Very high87Confident1 Ų134.9 Ų34.91%0.00720%0.197CC..  trans-61.8130.7-173.8-1710000113.4G146 E183S144-G146 PolarHBondContact O-N 3.39Å; S144-G146 WeakPolarHBondContact OG-CA 3.46Å; S144-G146 PolarHBondContact OG-N 2.95Å; S144-G146 VanDerWaalsContact OG-N 3.09Å; S144-E183 WeakPolarHBondContact OG-CG 3.48Å
145L87.3Confident87.8Confident2 Ų231.8 Ų31.81%0.0117%0.165CC..BIsolated β-bridgetrans-89.453.7159.2-73.1175000109.4I83 L86 K87 L90 L124 T143 F179 P180I83-L145 HydrophobicContact CD1-CB 4.01Å; I83-L145 HydrophobicContact CD1-CD2 4.1Å; L86-L145 HydrophobicContact CD2-CD2 3.87Å; L86-L145 HydrophobicContact CG-CD2 4.22Å; K87-L145 HydrophobicContact CD-CD1 4.22Å; K87-L145 HydrophobicContact CG-CD1 4.44Å; L90-L145 HydrophobicContact CD2-CD1 4.42Å; L90-L145 HydrophobicContact CD2-CD2 4.27Å; L124-L145 HydrophobicContact CB-CD1 4.41Å; T143-L145 PolarHBondContact O-N 2.98Å; L145-F179 HydrophobicContact CD1-CB 3.67Å; L145-F179 HydrophobicContact CG-CB 3.93Å; L145-P180 PolarHBondContact N-O 2.92Å
146G66.6Low88.3Confident6 Ų625.8 Ų25.86%0.06214%0.142CC..  trans-91.1153.6-176.700000114.2S144 T150S144-G146 PolarHBondContact O-N 3.39Å; S144-G146 WeakPolarHBondContact OG-CA 3.46Å; S144-G146 PolarHBondContact OG-N 2.95Å; S144-G146 VanDerWaalsContact OG-N 3.09Å; G146-T150 PolarHBondContact O-OG1 2.91Å
147D57.3Low88.5Confident120 Ų12020.9 Ų20.964%0.64211%0.112SC*.SBendtrans-72.3130.2174.1-95.2-39.1000111.9
148N61.1Low88.6Confident148 Ų14819.3 Ų19.379%0.79111%0.105SC*.SBendtrans38.188.9167.4-105.9-28.7000117
149P72.5Confident88.8Confident51 Ų5119.3 Ų19.333%0.33111%0.105SC..SBendcis-118.213312.538.3-26000114.7R224P149-R224 VanDerWaalsContact CG-NE 3.31Å
150T84.6Confident88.8Confident6 Ų619.3 Ų19.34%0.03711%0.105CC..  trans-64.9143.2179.7-39.90000113.1L86 G146 F152L86-T150 HydrophobicContact CD2-CG2 3.62Å; G146-T150 PolarHBondContact O-OG1 2.91Å; T150-F152 VanDerWaalsContact C-N 3.33Å; T150-F152 HydrophobicContact CG2-CE1 4.35Å; T150-F152 HydrophobicContact CG2-CZ 4.4Å; T150-F152 WeakPolarHBondContact O-CD2 3.22Å; T150-F152 PolarHBondContact O-N 3.28Å
151Y92.2Very high88.7Confident20 Ų2019.4 Ų19.48%0.07811%0.106CC..  trans-86.660-173.4-61.4-73.3000113.5G153 S154 L155 E222 F223 R224Y151-G153 VanDerWaalsContact C-N 3.27Å; Y151-G153 PolarHBondContact O-N 3.5Å; Y151-S154 WeakPolarHBondContact O-CA 3.47Å; Y151-S154 WeakPolarHBondContact O-CB 3.41Å; Y151-S154 PolarHBondContact O-N 3.27Å; Y151-L155 PolarHBondContact O-N 2.8Å; Y151-L155 VanDerWaalsContact O-N 3.11Å; Y151-E222 VanDerWaalsContact CD1-CA 3.48Å; Y151-E222 HydrophobicContact CD1-CB 4.04Å; Y151-E222 HydrophobicContact CE1-CB 3.63Å; Y151-E222 HydrophobicContact CE1-CG 4.1Å; Y151-E222 HydrophobicContact CE2-CG 4.31Å; Y151-F223 CarbonylContact C-O 3.51Å; Y151-F223 WeakPolarHBondContact CA-O 3.41Å; Y151-R224 HydrophobicContact CD1-CG 3.86Å; Y151-R224 HydrophobicContact CE1-CG 4.03Å
152F93.6Very high88.6Confident35 Ų3519.1 Ų19.115%0.15410%0.104CC..Hα-helixtrans-52.4-40-176.8-61-70.8000114.1Y71 K75 F78 L86 T150 S154 L155 A156Y71-F152 HydrophobicContact CD2-CB 3.88Å; Y71-F152 HydrophobicContact CE2-CB 3.86Å; K75-F152 HydrophobicContact CG-CD1 4.13Å; K75-F152 HydrophobicContact CG-CD2 4.44Å; K75-F152 HydrophobicContact CG-CE1 4.45Å; K75-F152 HydrophobicContact CG-CG 4.13Å; F78-F152 HydrophobicContact CB-CE1 3.73Å; F78-F152 HydrophobicContact CB-CZ 3.96Å; F78-F152 HydrophobicContact CD1-CE1 4.49Å; F78-F152 AromaticContact CD1-CZ 3.85Å; F78-F152 HydrophobicContact CD1-CZ 3.85Å; F78-F152 HydrophobicContact CD2-CZ 4.48Å; F78-F152 HydrophobicContact CE1-CZ 4.49Å; F78-F152 HydrophobicContact CG-CE1 4.06Å; F78-F152 AromaticContact CG-CZ 3.84Å; F78-F152 HydrophobicContact CG-CZ 3.84Å; L86-F152 HydrophobicContact CD2-CE1 4.43Å; T150-F152 VanDerWaalsContact C-N 3.33Å; T150-F152 HydrophobicContact CG2-CE1 4.35Å; T150-F152 HydrophobicContact CG2-CZ 4.4Å; T150-F152 WeakPolarHBondContact O-CD2 3.22Å; T150-F152 PolarHBondContact O-N 3.28Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 2.82Å; F152-L155 PolarHBondContact O-N 2.61Å; F152-A156 WeakPolarHBondContact O-CB 3.33Å; F152-A156 PolarHBondContact O-N 2.81Å; F152-A156 VanDerWaalsContact O-N 3.1Å
153G93.8Very high88.5Confident0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-60.4-41.817500000112.7Y151 A156 Y157 F223 R224Y151-G153 VanDerWaalsContact C-N 3.27Å; Y151-G153 PolarHBondContact O-N 3.5Å; G153-A156 PolarHBondContact O-N 3.47Å; G153-Y157 WeakPolarHBondContact O-CD2 3.38Å; G153-Y157 PolarHBondContact O-N 2.97Å; G153-F223 WeakPolarHBondContact CA-O 3.39Å; G153-F223 PolarHBondContact N-O 3.05Å; G153-R224 PolarHBondContact N-O 2.9Å; G153-R224 VanDerWaalsContact N-O 3.12Å
154S95.4Very high88.5Confident0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-67.1-45179.2-50.90000111.7T143 Y151 F152 A156 Y157 V158 L221 F223T143-S154 VanDerWaalsContact CG2-CB 3.49Å; Y151-S154 WeakPolarHBondContact O-CA 3.47Å; Y151-S154 WeakPolarHBondContact O-CB 3.41Å; Y151-S154 PolarHBondContact O-N 3.27Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 2.82Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 2.85Å; S154-Y157 PolarHBondContact O-N 3.08Å; S154-V158 WeakPolarHBondContact O-CB 3.5Å; S154-V158 VanDerWaalsContact O-CG2 3.29Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å; S154-V158 PolarHBondContact O-N 3.4Å; S154-L221 PolarHBondContact OG-O 3.01Å; S154-F223 PolarHBondContact N-O 2.93Å; S154-F223 WeakPolarHBondContact OG-CA 3.44Å; S154-F223 WeakPolarHBondContact OG-CB 3.23Å; S154-F223 PolarHBondContact OG-N 2.89Å; S154-F223 PolarHBondContact OG-O 2.71Å
155L96.3Very high88.6Confident0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-56.3-42.9174.8-64.3177.4000111.3L86 L90 T143 Y151 F152 V158 L159 F179L86-L155 HydrophobicContact CD1-CD1 4.03Å; L86-L155 HydrophobicContact CD2-CD1 3.95Å; L86-L155 HydrophobicContact CG-CD1 4.32Å; L90-L155 HydrophobicContact CD2-CD2 3.87Å; T143-L155 HydrophobicContact CG2-CD2 3.62Å; T143-L155 HydrophobicContact CG2-CG 4.01Å; Y151-L155 PolarHBondContact O-N 2.8Å; Y151-L155 VanDerWaalsContact O-N 3.11Å; F152-L155 PolarHBondContact O-N 2.61Å; L155-V158 PolarHBondContact O-N 2.91Å; L155-L159 WeakPolarHBondContact O-CB 3.23Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 3.24Å; L155-F179 HydrophobicContact CD2-CD1 3.63Å; L155-F179 HydrophobicContact CD2-CE1 3.63Å
156A96.1Very high88.9Confident0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-64.6-43.7178.400000113.2S67 F70 F152 G153 S154 S160 L226S67-A156 WeakPolarHBondContact O-CB 3.33Å; F70-A156 HydrophobicContact CB-CB 4.16Å; F152-A156 WeakPolarHBondContact O-CB 3.33Å; F152-A156 PolarHBondContact O-N 2.81Å; F152-A156 VanDerWaalsContact O-N 3.1Å; G153-A156 PolarHBondContact O-N 3.47Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 2.85Å; A156-S160 PolarHBondContact O-N 3.46Å; A156-S160 PolarHBondContact O-OG 3.43Å; A156-L226 HydrophobicContact CB-CD2 4.01Å
157Y96.3Very high90Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-65.5-42.4174-68.7-58.8000112.5G153 S154 L159 S160 L161 F223 L226 Q228 I331 V334 T335 L338G153-Y157 WeakPolarHBondContact O-CD2 3.38Å; G153-Y157 PolarHBondContact O-N 2.97Å; S154-Y157 PolarHBondContact O-N 3.08Å; Y157-L159 VanDerWaalsContact C-N 3.32Å; Y157-L159 PolarHBondContact O-N 2.81Å; Y157-S160 PolarHBondContact O-N 2.81Å; Y157-S160 PolarHBondContact O-OG 3.11Å; Y157-L161 WeakPolarHBondContact O-CB 3.46Å; Y157-L161 WeakPolarHBondContact O-CD1 3.5Å; Y157-L161 WeakPolarHBondContact O-CG 3.47Å; Y157-L161 PolarHBondContact O-N 3.3Å; Y157-F223 AromaticContact CD2-CD2 3.81Å; Y157-F223 HydrophobicContact CD2-CD2 3.81Å; Y157-F223 AromaticContact CE2-CD2 3.94Å; Y157-F223 HydrophobicContact CE2-CD2 3.94Å; Y157-L226 HydrophobicContact CD1-CD2 4.45Å; Y157-L226 HydrophobicContact CE1-CD2 3.99Å; Y157-L226 HydrophobicContact CE2-CD2 4.02Å; Y157-L226 PolarHBondContact OH-O 3.23Å; Y157-L226 VanDerWaalsContact OH-O 3.11Å; Y157-Q228 PolarHBondContact OH-NE2 2.88Å; Y157-Q228 PolarHBondContact OH-OE1 2.81Å; Y157-I331 HydrophobicContact CE1-CG2 3.81Å; Y157-V334 HydrophobicContact CE1-CB 4.46Å; Y157-V334 HydrophobicContact CE1-CG1 4.15Å; Y157-V334 HydrophobicContact CE2-CG1 4.12Å; Y157-T335 HydrophobicContact CD1-CG2 3.46Å; Y157-T335 VanDerWaalsContact CD1-CG2 3.46Å; Y157-T335 HydrophobicContact CE1-CG2 3.77Å; Y157-L338 HydrophobicContact CG-CD1 4.21Å
158V97Very high91.5Very high3 Ų330.4 Ų30.42%0.01815%0.15CC..Hα-helixtrans-63.5-39.5179.7170.90000111.1I141 S154 L155 S162 F177 F179 L221I141-V158 HydrophobicContact CG2-CG2 3.89Å; S154-V158 WeakPolarHBondContact O-CB 3.5Å; S154-V158 VanDerWaalsContact O-CG2 3.29Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å; S154-V158 PolarHBondContact O-N 3.4Å; L155-V158 PolarHBondContact O-N 2.91Å; V158-S162 VanDerWaalsContact O-CB 3.22Å; V158-S162 WeakPolarHBondContact O-CB 3.27Å; V158-S162 PolarHBondContact O-N 2.85Å; V158-S162 PolarHBondContact O-OG 2.82Å; V158-F177 HydrophobicContact CG1-CB 4.18Å; V158-F177 HydrophobicContact CG1-CD1 3.48Å; V158-F177 VanDerWaalsContact CG1-CD1 3.48Å; V158-F177 HydrophobicContact CG1-CE1 4.15Å; V158-F177 HydrophobicContact CG1-CG 4.08Å; V158-F179 HydrophobicContact CG1-CE1 4.02Å; V158-F179 HydrophobicContact CG1-CZ 3.65Å; V158-L221 HydrophobicContact CG2-CD1 3.97Å
159L97.7Very high92.7Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-71.6-42.5176.1-72170.1000113F70 W89 L90 Q93 L94 I97 L155 Y157 S162 K163F70-L159 HydrophobicContact CB-CB 4.36Å; F70-L159 HydrophobicContact CB-CD1 4.18Å; F70-L159 HydrophobicContact CD1-CB 4.31Å; F70-L159 HydrophobicContact CD1-CD1 4.09Å; F70-L159 HydrophobicContact CD2-CB 3.4Å; F70-L159 HydrophobicContact CD2-CD1 4.49Å; F70-L159 HydrophobicContact CE1-CB 4.47Å; F70-L159 HydrophobicContact CE2-CB 3.59Å; F70-L159 HydrophobicContact CG-CB 3.8Å; F70-L159 HydrophobicContact CG-CD1 4.03Å; F70-L159 HydrophobicContact CZ-CB 4.13Å; W89-L159 HydrophobicContact CH2-CD1 3.31Å; W89-L159 HydrophobicContact CZ2-CD1 4.05Å; W89-L159 HydrophobicContact CZ3-CD1 3.78Å; L90-L159 HydrophobicContact CD1-CD1 3.86Å; L90-L159 HydrophobicContact CD1-CD2 3.98Å; L90-L159 HydrophobicContact CD1-CG 4.11Å; Q93-L159 HydrophobicContact CB-CD1 4.23Å; Q93-L159 HydrophobicContact CB-CD2 3.94Å; L94-L159 HydrophobicContact CD2-CD2 3.75Å; L94-L159 HydrophobicContact CG-CD2 4.11Å; I97-L159 HydrophobicContact CD1-CB 4.36Å; I97-L159 HydrophobicContact CD1-CD2 3.7Å; I97-L159 WeakPolarHBondContact CD1-O 3.42Å; L155-L159 WeakPolarHBondContact O-CB 3.23Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 3.24Å; Y157-L159 VanDerWaalsContact C-N 3.32Å; Y157-L159 PolarHBondContact O-N 2.81Å; L159-S162 WeakPolarHBondContact CA-OG 3.39Å; L159-S162 PolarHBondContact O-OG 2.9Å; L159-S162 VanDerWaalsContact O-OG 3.09Å; L159-K163 WeakPolarHBondContact O-CB 3.41Å; L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.08Å
160S96.5Very high93.4Very high2 Ų230.9 Ų30.91%0.01415%0.146CC..Hα-helixtrans-70.7-36177.866.20000112.7S67 A156 Y157 L164S67-S160 VanDerWaalsContact OG-CB 3.26Å; S67-S160 WeakPolarHBondContact OG-CB 3.23Å; S67-S160 PolarHBondContact OG-OG 3.38Å; A156-S160 PolarHBondContact O-N 3.46Å; A156-S160 PolarHBondContact O-OG 3.43Å; Y157-S160 PolarHBondContact O-N 2.81Å; Y157-S160 PolarHBondContact O-OG 3.11Å; S160-L164 PolarHBondContact O-N 3Å
161L96.3Very high93.7Very high5 Ų530.6 Ų30.63%0.02615%0.145CC..Hα-helixtrans-70.9-41.4174.3-71166.9000112.2F61 Y157 K163 L164 F165 L338 E339F61-L161 HydrophobicContact CD2-CD2 3.77Å; F61-L161 HydrophobicContact CE2-CD2 4.21Å; Y157-L161 WeakPolarHBondContact O-CB 3.46Å; Y157-L161 WeakPolarHBondContact O-CD1 3.5Å; Y157-L161 WeakPolarHBondContact O-CG 3.47Å; Y157-L161 PolarHBondContact O-N 3.3Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 2.8Å; L161-L164 WeakPolarHBondContact O-CB 3.49Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-L164 VanDerWaalsContact O-N 3.08Å; L161-F165 HydrophobicContact CB-CD2 4.4Å; L161-F165 HydrophobicContact CB-CE1 4.29Å; L161-F165 HydrophobicContact CB-CE2 3.8Å; L161-F165 HydrophobicContact CB-CZ 3.75Å; L161-F165 HydrophobicContact CD2-CE1 3.99Å; L161-F165 HydrophobicContact CD2-CZ 3.81Å; L161-F165 HydrophobicContact CG-CZ 4.23Å; L161-F165 WeakPolarHBondContact O-CB 3.44Å; L161-F165 WeakPolarHBondContact O-CD1 3.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 WeakPolarHBondContact O-CG 3.3Å; L161-F165 PolarHBondContact O-N 2.86Å; L161-L338 HydrophobicContact CD1-CB 3.57Å; L161-L338 HydrophobicContact CD1-CD1 3.7Å; L161-L338 HydrophobicContact CD1-CG 4.29Å; L161-E339 HydrophobicContact CD2-CB 4.38Å
162S95.9Very high93.7Very high0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-64.4-3717656.20000112.4V158 L159 L164 F165 R166V158-S162 VanDerWaalsContact O-CB 3.22Å; V158-S162 WeakPolarHBondContact O-CB 3.27Å; V158-S162 PolarHBondContact O-N 2.85Å; V158-S162 PolarHBondContact O-OG 2.82Å; L159-S162 WeakPolarHBondContact CA-OG 3.39Å; L159-S162 PolarHBondContact O-OG 2.9Å; L159-S162 VanDerWaalsContact O-OG 3.09Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 2.88Å; S162-F165 PolarHBondContact O-N 2.98Å; S162-R166 VanDerWaalsContact O-CB 3.25Å; S162-R166 WeakPolarHBondContact O-CB 3.38Å; S162-R166 PolarHBondContact O-N 3.33Å
163K95.4Very high93.7Very high79 Ų7930.4 Ų30.434%0.34315%0.152SC..Hα-helixtrans-56.9-40.1168.7-173.5-167.3-177.7-166.20112.5D63 S66 I97 L159 L161 N167D63-K163 IonicContact OD2-NZ 3.16Å; D63-K163 PolarHBondContact OD2-NZ 3.34Å; S66-K163 PolarHBondContact OG-NZ 3.44Å; I97-K163 HydrophobicContact CD1-CB 4.44Å; I97-K163 HydrophobicContact CG1-CB 4.4Å; L159-K163 WeakPolarHBondContact O-CB 3.41Å; L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.08Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 2.8Å; K163-N167 PolarHBondContact O-ND2 3.47Å
164L94.4Very high93.8Very high31 Ų3130.4 Ų30.416%0.16215%0.152CC..Hα-helixtrans-70.2-52.7174.4178.265.7000111.7F61 S160 L161 S162 R166 N167 Q168F61-L164 HydrophobicContact CB-CD2 3.73Å; F61-L164 HydrophobicContact CD2-CB 4.38Å; F61-L164 HydrophobicContact CD2-CD2 3.71Å; F61-L164 HydrophobicContact CG-CD2 4.18Å; S160-L164 PolarHBondContact O-N 3Å; L161-L164 WeakPolarHBondContact O-CB 3.49Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-L164 VanDerWaalsContact O-N 3.08Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 2.88Å; L164-R166 VanDerWaalsContact C-N 3.31Å; L164-R166 PolarHBondContact O-N 3.43Å; L164-N167 PolarHBondContact O-N 3.1Å; L164-Q168 VanDerWaalsContact CG-NE2 3.32Å
165F94.6Very high93.9Very high1 Ų130.4 Ų30.40%0.00415%0.152CC..Hα-helixtrans-63.6-35.3-173-59.3-17.9000112.5M128 L161 S162 N167 Q168 W171 I175 F177 E339 L342M128-F165 HydrophobicContact CE-CB 4.09Å; M128-F165 VanDerWaalsContact SD-C 3.57Å; M128-F165 HydrophobicContact SD-CB 3.66Å; L161-F165 HydrophobicContact CB-CD2 4.4Å; L161-F165 HydrophobicContact CB-CE1 4.29Å; L161-F165 HydrophobicContact CB-CE2 3.8Å; L161-F165 HydrophobicContact CB-CZ 3.75Å; L161-F165 HydrophobicContact CD2-CE1 3.99Å; L161-F165 HydrophobicContact CD2-CZ 3.81Å; L161-F165 HydrophobicContact CG-CZ 4.23Å; L161-F165 WeakPolarHBondContact O-CB 3.44Å; L161-F165 WeakPolarHBondContact O-CD1 3.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 WeakPolarHBondContact O-CG 3.3Å; L161-F165 PolarHBondContact O-N 2.86Å; S162-F165 PolarHBondContact O-N 2.98Å; F165-N167 PolarHBondContact O-N 3.16Å; F165-N167 VanDerWaalsContact O-N 3.11Å; F165-Q168 PolarHBondContact O-N 2.95Å; F165-W171 HydrophobicContact CB-CZ2 4.32Å; F165-W171 HydrophobicContact CD1-CH2 4.44Å; F165-W171 AromaticContact CD1-CZ2 3.48Å; F165-W171 HydrophobicContact CD1-CZ2 3.48Å; F165-W171 VanDerWaalsContact CD1-CZ2 3.48Å; F165-W171 HydrophobicContact CD2-CZ2 4.18Å; F165-W171 HydrophobicContact CE1-CH2 4.34Å; F165-W171 AromaticContact CE1-CZ2 3.73Å; F165-W171 HydrophobicContact CE1-CZ2 3.73Å; F165-W171 HydrophobicContact CE2-CZ2 4.39Å; F165-W171 AromaticContact CG-CE2 3.95Å; F165-W171 AromaticContact CG-CZ2 3.73Å; F165-W171 HydrophobicContact CG-CZ2 3.73Å; F165-W171 AromaticContact CG-NE1 3.96Å; F165-W171 HydrophobicContact CZ-CH2 4.39Å; F165-W171 HydrophobicContact CZ-CZ2 4.17Å; F165-I175 HydrophobicContact CD2-CD1 3.8Å; F165-I175 HydrophobicContact CE2-CD1 4.35Å; F165-I175 HydrophobicContact CG-CD1 4.48Å; F165-F177 HydrophobicContact CD2-CZ 4.45Å; F165-E339 HydrophobicContact CE1-CB 4.25Å; F165-E339 HydrophobicContact CE1-CG 4.11Å; F165-L342 HydrophobicContact CE2-CD1 3.6Å; F165-L342 HydrophobicContact CZ-CD1 3.79Å
166R92.8Very high93.9Very high107 Ų10730.4 Ų30.440%0.40415%0.152SC..THydrogen-bonded Turntrans-59.3-25.6179-174.364.1-173.183.3-5.5113.6I97 G98 M128 S162 L164I97-R166 HydrophobicContact CG2-CB 4.39Å; I97-R166 WeakPolarHBondContact O-CG 3.2Å; G98-R166 PolarHBondContact O-NE 3.46Å; M128-R166 HydrophobicContact SD-CB 4.47Å; S162-R166 VanDerWaalsContact O-CB 3.25Å; S162-R166 WeakPolarHBondContact O-CB 3.38Å; S162-R166 PolarHBondContact O-N 3.33Å; L164-R166 VanDerWaalsContact C-N 3.31Å; L164-R166 PolarHBondContact O-N 3.43Å
167N89.5Confident94Very high133 Ų13330.4 Ų30.471%0.71115%0.152SC*.THydrogen-bonded Turntrans-94.61.1179.2-66-50.8000113.4K163 L164 F165K163-N167 PolarHBondContact O-ND2 3.47Å; L164-N167 PolarHBondContact O-N 3.1Å; F165-N167 PolarHBondContact O-N 3.16Å; F165-N167 VanDerWaalsContact O-N 3.11Å
168Q89Confident94.1Very high17 Ų1730.4 Ų30.48%0.07915%0.152CC..  trans-108.5131.4-175.1-71.3178-7.300112L164 F165 H170 R343L164-Q168 VanDerWaalsContact CG-NE2 3.32Å; F165-Q168 PolarHBondContact O-N 2.95Å; Q168-H170 PolarHBondContact OE1-CE1 2.69Å; Q168-H170 PolarHBondContact OE1-NE2 3.22Å; Q168-H170 VanDerWaalsContact OE1-NE2 3.12Å; Q168-R343 VanDerWaalsContact CD-NH2 3.28Å
169I86.9Confident94.1Very high136 Ų13630.3 Ų30.370%0.69715%0.152SC*.THydrogen-bonded Turntrans-86.3-10.7-171.860.5173.1000115.5S132 W171S132-I169 PolarHBondContact OG-O 2.85Å; I169-W171 PolarHBondContact O-N 3.48Å
170H86.5Confident94Very high74 Ų7430.3 Ų30.334%0.34315%0.152SC..THydrogen-bonded Turntrans-88.55.1-171.953.2-114.5000114.9Q168 A172 R343 N346Q168-H170 PolarHBondContact OE1-CE1 2.69Å; Q168-H170 PolarHBondContact OE1-NE2 3.22Å; Q168-H170 VanDerWaalsContact OE1-NE2 3.12Å; H170-A172 PolarHBondContact O-N 2.99Å; H170-R343 PolarHBondContact CE1-NE 2.98Å; H170-R343 PolarHBondContact CE1-NH2 2.71Å; H170-R343 PolarHBondContact NE2-NE 3.36Å; H170-R343 PolarHBondContact NE2-NH2 3.01Å; H170-N346 PolarHBondContact O-ND2 2.96Å; H170-N346 VanDerWaalsContact O-ND2 3.14Å
171W91.9Very high93.8Very high0 Ų031 Ų310%015%0.154CC..  trans-77.1103.2175-64107.3000110.1M128 S130 P131 S132 F165 I169 I175 L342 R343 N346M128-W171 HydrophobicContact CE-CB 3.88Å; M128-W171 HydrophobicContact CE-CD2 4.24Å; M128-W171 HydrophobicContact CE-CG 3.64Å; S130-W171 WeakPolarHBondContact CA-O 3.18Å; S130-W171 WeakPolarHBondContact CB-O 3.28Å; P131-W171 WeakPolarHBondContact CD-O 3.43Å; S132-W171 PolarHBondContact OG-O 2.72Å; F165-W171 HydrophobicContact CB-CZ2 4.32Å; F165-W171 HydrophobicContact CD1-CH2 4.44Å; F165-W171 AromaticContact CD1-CZ2 3.48Å; F165-W171 HydrophobicContact CD1-CZ2 3.48Å; F165-W171 VanDerWaalsContact CD1-CZ2 3.48Å; F165-W171 HydrophobicContact CD2-CZ2 4.18Å; F165-W171 HydrophobicContact CE1-CH2 4.34Å; F165-W171 AromaticContact CE1-CZ2 3.73Å; F165-W171 HydrophobicContact CE1-CZ2 3.73Å; F165-W171 HydrophobicContact CE2-CZ2 4.39Å; F165-W171 AromaticContact CG-CE2 3.95Å; F165-W171 AromaticContact CG-CZ2 3.73Å; F165-W171 HydrophobicContact CG-CZ2 3.73Å; F165-W171 AromaticContact CG-NE1 3.96Å; F165-W171 HydrophobicContact CZ-CH2 4.39Å; F165-W171 HydrophobicContact CZ-CZ2 4.17Å; I169-W171 PolarHBondContact O-N 3.48Å; W171-I175 HydrophobicContact CD2-CD1 3.99Å; W171-I175 HydrophobicContact CE3-CD1 3.78Å; W171-I175 HydrophobicContact CE3-CG1 4.47Å; W171-I175 HydrophobicContact CH2-CD1 4.29Å; W171-I175 HydrophobicContact CZ2-CD1 4.49Å; W171-I175 HydrophobicContact CZ3-CD1 3.93Å; W171-L342 HydrophobicContact CH2-CB 3.89Å; W171-L342 HydrophobicContact CZ3-CB 4.21Å; W171-R343 HydrophobicContact CH2-CG 3.66Å; W171-R343 HydrophobicContact CZ2-CG 4.04Å; W171-R343 HydrophobicContact CZ3-CG 4.32Å; W171-N346 HydrophobicContact CE3-CB 3.89Å; W171-N346 HydrophobicContact CZ3-CB 3.75Å
172A91.4Very high93.5Very high44 Ų4435.2 Ų35.236%0.36417%0.171SC..  trans-83.8-18.4178.800000112.3G133 H170 N346G133-A172 VanDerWaalsContact CA-O 3.26Å; G133-A172 WeakPolarHBondContact CA-O 3.2Å; H170-A172 PolarHBondContact O-N 2.99Å; A172-N346 PolarHBondContact N-OD1 3.07Å
173K94.4Very high93.2Very high6 Ų638.7 Ų38.73%0.02619%0.187CC..SBendtrans-112.1148174.9-58.8177.4176.227.30109.7E137 L139 N346 L348E137-K173 HydrophobicContact CB-CB 4.34Å; E137-K173 HydrophobicContact CB-CD 4.35Å; E137-K173 HydrophobicContact CB-CG 3.83Å; E137-K173 WeakPolarHBondContact OE2-CE 3.43Å; E137-K173 WeakPolarHBondContact OE2-CG 3.33Å; E137-K173 IonicContact OE2-NZ 3.89Å; E137-K173 PolarHBondContact OE2-NZ 3.1Å; L139-K173 HydrophobicContact CD2-CD 3.62Å; L139-K173 HydrophobicContact CG-CB 4.18Å; L139-K173 HydrophobicContact CG-CD 3.98Å; K173-N346 PolarHBondContact N-OD1 2.76Å; K173-N346 PolarHBondContact NZ-O 3.27Å; K173-L348 VanDerWaalsContact CE-O 3.3Å; K173-L348 WeakPolarHBondContact CE-O 3.41Å; K173-L348 PolarHBondContact NZ-O 3.1Å
174D95.8Very high93Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-64.2155.3166.5-74.97.4000109.5I127 M128 R129 S130 E137 A138 L139 S212I127-D174 HydrophobicContact CG2-CB 4.4Å; M128-D174 CarbonylContact O-C 3.6Å; M128-D174 VanDerWaalsContact O-CA 3.26Å; M128-D174 WeakPolarHBondContact O-CA 3.45Å; M128-D174 WeakPolarHBondContact O-CB 3.32Å; R129-D174 WeakPolarHBondContact CA-OD1 3.42Å; R129-D174 WeakPolarHBondContact CD-OD2 3.46Å; R129-D174 IonicContact CZ-OD2 2.96Å; R129-D174 IonicContact NE-OD2 3.42Å; R129-D174 IonicContact NH1-OD2 3.82Å; R129-D174 PolarHBondContact NH1-OD2 3.04Å; S130-D174 WeakPolarHBondContact CB-OD1 3.38Å; S130-D174 PolarHBondContact N-OD1 3.34Å; S130-D174 PolarHBondContact OG-OD1 3.37Å; E137-D174 PolarHBondContact O-N 2.91Å; A138-D174 CarbonylContact C-O 3.52Å; A138-D174 VanDerWaalsContact CA-O 3.28Å; A138-D174 WeakPolarHBondContact CA-O 3.41Å; A138-D174 HydrophobicContact CB-CB 4.34Å; L139-D174 PolarHBondContact N-O 3.05Å; D174-S212 WeakPolarHBondContact CB-OG 3.22Å; D174-S212 PolarHBondContact OD2-OG 3.45Å
175I96.5Very high92.9Very high0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-118.9121.7171.4-55.4179.2000109.2M128 I141 F165 W171 F177M128-I175 HydrophobicContact CB-CB 4.26Å; M128-I175 HydrophobicContact CE-CB 4.3Å; M128-I175 HydrophobicContact CE-CD1 3.61Å; M128-I175 HydrophobicContact CE-CG1 3.85Å; M128-I175 PolarHBondContact N-O 2.76Å; M128-I175 PolarHBondContact O-N 2.83Å; I141-I175 HydrophobicContact CD1-CG2 3.64Å; I141-I175 HydrophobicContact CG1-CG2 4.32Å; F165-I175 HydrophobicContact CD2-CD1 3.8Å; F165-I175 HydrophobicContact CE2-CD1 4.35Å; F165-I175 HydrophobicContact CG-CD1 4.48Å; W171-I175 HydrophobicContact CD2-CD1 3.99Å; W171-I175 HydrophobicContact CE3-CD1 3.78Å; W171-I175 HydrophobicContact CE3-CG1 4.47Å; W171-I175 HydrophobicContact CH2-CD1 4.29Å; W171-I175 HydrophobicContact CZ2-CD1 4.49Å; W171-I175 HydrophobicContact CZ3-CD1 3.93Å; I175-F177 HydrophobicContact CB-CE2 4.35Å; I175-F177 HydrophobicContact CB-CZ 4.15Å; I175-F177 HydrophobicContact CG2-CD1 4.17Å; I175-F177 HydrophobicContact CG2-CE1 3.65Å; I175-F177 HydrophobicContact CG2-CE2 4.02Å; I175-F177 HydrophobicContact CG2-CZ 3.55Å
176I97.8Very high92.9Very high0 Ų036.6 Ų36.60%018%0.176CC..EExtended strand (participates in β ladder)trans-97.3119.4174.5-54.3173.1000108A138 L139 V140 I141 W190 Y194 I215A138-I176 HydrophobicContact CB-CD1 3.87Å; A138-I176 HydrophobicContact CB-CG1 4.18Å; L139-I176 PolarHBondContact O-N 2.89Å; V140-I176 CarbonylContact C-O 3.55Å; V140-I176 WeakPolarHBondContact CA-O 3.24Å; V140-I176 HydrophobicContact CB-CB 4.4Å; V140-I176 HydrophobicContact CG2-CB 4.14Å; V140-I176 HydrophobicContact CG2-CG2 4.18Å; I141-I176 PolarHBondContact N-O 2.85Å; I176-W190 HydrophobicContact CD1-CH2 3.89Å; I176-W190 HydrophobicContact CD1-CZ2 4.22Å; I176-W190 HydrophobicContact CG2-CH2 4.04Å; I176-W190 HydrophobicContact CG2-CZ2 3.76Å; I176-Y194 HydrophobicContact CD1-CE2 3.78Å; I176-I215 HydrophobicContact CD1-CD1 4.45Å; I176-I215 HydrophobicContact CD1-CG1 4.33Å
177F97.9Very high93Very high1 Ų131.5 Ų31.50%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-97.2106.9169.9-53-78.1000107.9L99 Y125 G126 M128 I141 V158 F165 I175 F179L99-F177 HydrophobicContact CD1-CD2 3.88Å; L99-F177 HydrophobicContact CD1-CE2 3.96Å; L99-F177 HydrophobicContact CD2-CE2 4.21Å; Y125-F177 CarbonylContact C-O 3.56Å; Y125-F177 WeakPolarHBondContact CA-O 3.16Å; Y125-F177 WeakPolarHBondContact CB-O 3.26Å; G126-F177 PolarHBondContact N-O 3.48Å; G126-F177 PolarHBondContact O-N 3.11Å; M128-F177 HydrophobicContact CB-CE2 4.06Å; I141-F177 HydrophobicContact CB-CD1 4.21Å; I141-F177 HydrophobicContact CD1-CD1 3.92Å; I141-F177 HydrophobicContact CD1-CE1 3.61Å; V158-F177 HydrophobicContact CG1-CB 4.18Å; V158-F177 HydrophobicContact CG1-CD1 3.48Å; V158-F177 VanDerWaalsContact CG1-CD1 3.48Å; V158-F177 HydrophobicContact CG1-CE1 4.15Å; V158-F177 HydrophobicContact CG1-CG 4.08Å; F165-F177 HydrophobicContact CD2-CZ 4.45Å; I175-F177 HydrophobicContact CB-CE2 4.35Å; I175-F177 HydrophobicContact CB-CZ 4.15Å; I175-F177 HydrophobicContact CG2-CD1 4.17Å; I175-F177 HydrophobicContact CG2-CE1 3.65Å; I175-F177 HydrophobicContact CG2-CE2 4.02Å; I175-F177 HydrophobicContact CG2-CZ 3.55Å; F177-F179 HydrophobicContact CB-CE2 3.71Å; F177-F179 HydrophobicContact CB-CZ 3.89Å; F177-F179 WeakPolarHBondContact O-CE2 3.14Å
178L97.7Very high93.3Very high0 Ų025.4 Ų25.40%013%0.125CC..EExtended strand (participates in β ladder)trans-107.3127-174.1177.360.1000110.9V140 I141 I142 T143 P180 L187 W190V140-L178 HydrophobicContact CG2-CB 4.03Å; V140-L178 HydrophobicContact CG2-CD2 4.39Å; I141-L178 PolarHBondContact O-N 2.99Å; I142-L178 WeakPolarHBondContact CA-O 3.37Å; I142-L178 HydrophobicContact CD1-CD2 4.5Å; I142-L178 HydrophobicContact CG1-CB 4.38Å; I142-L178 HydrophobicContact CG1-CD2 4.33Å; T143-L178 PolarHBondContact N-O 3.41Å; L178-P180 WeakPolarHBondContact O-CD 3.32Å; L178-L187 HydrophobicContact CD2-CD1 3.7Å; L178-W190 HydrophobicContact CD1-CB 4.28Å; L178-W190 HydrophobicContact CD1-CD2 3.8Å; L178-W190 HydrophobicContact CD1-CG 3.63Å; L178-W190 HydrophobicContact CD2-CB 4.47Å; L178-W190 HydrophobicContact CD2-CD2 3.63Å; L178-W190 HydrophobicContact CD2-CE3 3.5Å; L178-W190 VanDerWaalsContact CD2-CE3 3.5Å; L178-W190 HydrophobicContact CD2-CG 4.06Å; L178-W190 HydrophobicContact CD2-CZ3 3.97Å; L178-W190 HydrophobicContact CG-CD2 4.35Å
179F96.9Very high93.6Very high1 Ų124.6 Ų24.60%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-122.881.8-178-52.1-82.2000109.2L90 L94 L124 T143 L145 L155 V158 F177L90-F179 HydrophobicContact CD1-CE1 4.49Å; L90-F179 HydrophobicContact CD1-CZ 4.29Å; L90-F179 HydrophobicContact CD2-CB 4.29Å; L90-F179 HydrophobicContact CD2-CD1 3.8Å; L90-F179 HydrophobicContact CD2-CD2 4.11Å; L90-F179 HydrophobicContact CD2-CE1 4.08Å; L90-F179 HydrophobicContact CD2-CE2 4.38Å; L90-F179 HydrophobicContact CD2-CG 3.8Å; L90-F179 HydrophobicContact CD2-CZ 4.35Å; L94-F179 HydrophobicContact CD1-CD2 4.23Å; L94-F179 HydrophobicContact CD1-CE2 3.64Å; L94-F179 HydrophobicContact CD1-CZ 4.41Å; L94-F179 HydrophobicContact CD2-CE2 4.14Å; L94-F179 HydrophobicContact CD2-CZ 4.33Å; L124-F179 HydrophobicContact CB-CB 4.27Å; L124-F179 HydrophobicContact CD2-CD2 4.45Å; L124-F179 HydrophobicContact CG-CD2 4.39Å; L124-F179 PolarHBondContact N-O 3.33Å; L124-F179 WeakPolarHBondContact O-CA 3.47Å; L124-F179 WeakPolarHBondContact O-CB 3.24Å; L124-F179 PolarHBondContact O-N 2.78Å; T143-F179 WeakPolarHBondContact O-CA 3.41Å; L145-F179 HydrophobicContact CD1-CB 3.67Å; L145-F179 HydrophobicContact CG-CB 3.93Å; L155-F179 HydrophobicContact CD2-CD1 3.63Å; L155-F179 HydrophobicContact CD2-CE1 3.63Å; V158-F179 HydrophobicContact CG1-CE1 4.02Å; V158-F179 HydrophobicContact CG1-CZ 3.65Å; F177-F179 HydrophobicContact CB-CE2 3.71Å; F177-F179 HydrophobicContact CB-CZ 3.89Å; F177-F179 WeakPolarHBondContact O-CE2 3.14Å
180P95.4Very high94Very high0 Ų018.1 Ų18.10%09%0.088CC..  trans-76.6139.3-174.231.5-32.7000110.9N123 I142 L145 L178 L187 L301N123-P180 VanDerWaalsContact OD1-CA 3.29Å; N123-P180 WeakPolarHBondContact OD1-CA 3.45Å; I142-P180 HydrophobicContact CG2-CG 3.99Å; L145-P180 PolarHBondContact N-O 2.92Å; L178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-L187 HydrophobicContact CB-CB 4.21Å; P180-L187 HydrophobicContact CG-CB 4.46Å; P180-L301 HydrophobicContact CG-CD1 4.09Å
181E92.9Very high94.5Very high16 Ų1614.7 Ų14.78%0.0757%0.072CC..BIsolated β-bridgetrans-90.1147.2171.8-163.1162-117.700109.2K87 F106 G121 S122 N123 E183 G186K87-E181 IonicContact NZ-OE1 3.66Å; K87-E181 PolarHBondContact NZ-OE1 3.34Å; K87-E181 IonicContact NZ-OE2 2.8Å; K87-E181 PolarHBondContact NZ-OE2 2.68Å; F106-E181 HydrophobicContact CE1-CB 4.36Å; F106-E181 HydrophobicContact CZ-CB 4.29Å; F106-E181 WeakPolarHBondContact CZ-O 3.4Å; G121-E181 WeakPolarHBondContact CA-OE2 3.35Å; S122-E181 PolarHBondContact N-OE2 2.66Å; N123-E181 PolarHBondContact OD1-N 3.48Å; N123-E181 VanDerWaalsContact OD1-N 3.12Å; E181-E183 VanDerWaalsContact C-N 3.27Å; E181-E183 PolarHBondContact O-N 2.88Å; E181-G186 WeakPolarHBondContact O-CA 3.43Å; E181-G186 PolarHBondContact O-N 3.21Å; E181-G186 VanDerWaalsContact O-N 3.17Å
182Y89.7Confident94.6Very high93 Ų9314.7 Ų14.737%0.3657%0.072SC..THydrogen-bonded Turntrans54.936.2-174.5-54.9-65.1000115.2F106 I119 Y184 I185F106-Y182 HydrophobicContact CE2-CD2 4.26Å; F106-Y182 HydrophobicContact CZ-CD2 4.04Å; I119-Y182 HydrophobicContact CG2-CD1 4.34Å; I119-Y182 HydrophobicContact CG2-CD2 3.53Å; I119-Y182 HydrophobicContact CG2-CE1 4.19Å; I119-Y182 HydrophobicContact CG2-CE2 3.32Å; I119-Y182 HydrophobicContact CG2-CG 4.05Å; Y182-Y184 PolarHBondContact O-N 2.8Å; Y182-Y184 VanDerWaalsContact O-N 3.13Å; Y182-I185 PolarHBondContact O-N 3.14Å; Y182-I185 VanDerWaalsContact O-N 3.09Å
183E90Very high94.8Very high74 Ų7412.6 Ų12.635%0.3466%0.055SC..THydrogen-bonded Turntrans51-112172-75.4-174.8162.900113.7S144 E181 I185 L187 L301S144-E183 WeakPolarHBondContact OG-CG 3.48Å; E181-E183 VanDerWaalsContact C-N 3.27Å; E181-E183 PolarHBondContact O-N 2.88Å; E183-I185 VanDerWaalsContact C-N 3.26Å; E183-I185 PolarHBondContact O-N 2.95Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.39Å; E183-L187 PolarHBondContact O-N 2.86Å; E183-L187 VanDerWaalsContact O-N 3.08Å; E183-L301 HydrophobicContact CB-CD2 3.94Å; E183-L301 HydrophobicContact CG-CD2 4.41Å
184Y91.8Very high94.9Very high42 Ų4213.3 Ų13.317%0.1656%0.057CC..Hα-helixtrans-65.3-27.3-176.4-63.7-61.4000113.3Y182 M188 P298 G300 L301 P304 F690Y182-Y184 PolarHBondContact O-N 2.8Å; Y182-Y184 VanDerWaalsContact O-N 3.13Å; Y184-M188 WeakPolarHBondContact O-CB 3.37Å; Y184-M188 WeakPolarHBondContact O-CG 3.38Å; Y184-M188 PolarHBondContact O-N 3.21Å; Y184-P298 HydrophobicContact CE1-CG 3.88Å; Y184-P298 PolarHBondContact OH-O 3.06Å; Y184-G300 PolarHBondContact OH-O 3.08Å; Y184-L301 HydrophobicContact CD1-CD2 3.69Å; Y184-L301 HydrophobicContact CE1-CD2 3.84Å; Y184-L301 HydrophobicContact CG-CD2 4.24Å; Y184-P304 HydrophobicContact CD1-CG 3.82Å; Y184-P304 HydrophobicContact CE1-CG 4.22Å; Y184-F690 HydrophobicContact CG-CE1 4.31Å
185I92.2Very high94.8Very high24 Ų2417.2 Ų17.212%0.1238%0.075CC..Hα-helixtrans-70.7-53.6-177.3-57.6171.4000109.8F106 F108 Y182 E183 L187 M188 A189 L203 L689F106-I185 HydrophobicContact CD2-CG2 4.26Å; F106-I185 HydrophobicContact CE2-CG2 3.81Å; F108-I185 HydrophobicContact CB-CG2 3.6Å; F108-I185 HydrophobicContact CD1-CD1 3.76Å; F108-I185 HydrophobicContact CD1-CG1 4.33Å; F108-I185 HydrophobicContact CD1-CG2 4.07Å; F108-I185 HydrophobicContact CD2-CG2 4.31Å; F108-I185 HydrophobicContact CE1-CD1 3.99Å; F108-I185 HydrophobicContact CE1-CG1 4.45Å; F108-I185 HydrophobicContact CG-CG2 3.76Å; Y182-I185 PolarHBondContact O-N 3.14Å; Y182-I185 VanDerWaalsContact O-N 3.09Å; E183-I185 VanDerWaalsContact C-N 3.26Å; E183-I185 PolarHBondContact O-N 2.95Å; I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 2.81Å; I185-M188 PolarHBondContact O-N 2.98Å; I185-A189 PolarHBondContact O-N 3.48Å; I185-L203 HydrophobicContact CG2-CD1 3.98Å; I185-L689 HydrophobicContact CG1-CD1 4.11Å
186G93.7Very high94.5Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-63.7-38.1175.300000112.2F106 N123 E181 M188 A189 W190F106-G186 VanDerWaalsContact CZ-CA 3.43Å; N123-G186 PolarHBondContact ND2-O 2.86Å; N123-G186 VanDerWaalsContact OD1-CA 3.23Å; N123-G186 WeakPolarHBondContact OD1-CA 3.42Å; N123-G186 PolarHBondContact OD1-O 3.46Å; E181-G186 WeakPolarHBondContact O-CA 3.43Å; E181-G186 PolarHBondContact O-N 3.21Å; E181-G186 VanDerWaalsContact O-N 3.17Å; G186-M188 PolarHBondContact O-N 3.27Å; G186-A189 PolarHBondContact O-N 3.36Å; G186-W190 PolarHBondContact O-N 3.12Å
187L95.4Very high94Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-61.1-44.8175.2178.760.9000112.4I142 L178 P180 E183 I185 W190 L191 L301 P304 L305I142-L187 HydrophobicContact CD1-CD1 3.96Å; L178-L187 HydrophobicContact CD2-CD1 3.7Å; P180-L187 HydrophobicContact CB-CB 4.21Å; P180-L187 HydrophobicContact CG-CB 4.46Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.39Å; E183-L187 PolarHBondContact O-N 2.86Å; E183-L187 VanDerWaalsContact O-N 3.08Å; I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 2.81Å; L187-W190 PolarHBondContact O-N 3.32Å; L187-L191 HydrophobicContact CD1-CD1 4Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 3.89Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.12Å; L187-L301 HydrophobicContact CD2-CB 4.28Å; L187-L301 HydrophobicContact CD2-CD2 4.15Å; L187-L301 WeakPolarHBondContact CD2-O 3.43Å; L187-P304 HydrophobicContact CD2-CB 4.43Å; L187-P304 HydrophobicContact CD2-CG 4.19Å; L187-L305 HydrophobicContact CD1-CD1 4.12Å; L187-L305 HydrophobicContact CD2-CD1 3.94Å; L187-L305 HydrophobicContact CG-CD1 4.45Å
188M95.1Very high93Very high5 Ų528.5 Ų28.53%0.02515%0.148CC..Hα-helixtrans-64.7-41.9175.9-78.6-58.5-59.400111.9Y184 I185 G186 W190 L191 E192 L203 P304 Y308 L689 F690Y184-M188 WeakPolarHBondContact O-CB 3.37Å; Y184-M188 WeakPolarHBondContact O-CG 3.38Å; Y184-M188 PolarHBondContact O-N 3.21Å; I185-M188 PolarHBondContact O-N 2.98Å; G186-M188 PolarHBondContact O-N 3.27Å; M188-W190 PolarHBondContact O-N 2.93Å; M188-L191 PolarHBondContact O-N 2.8Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; M188-E192 HydrophobicContact CE-CG 4.36Å; M188-E192 WeakPolarHBondContact O-CB 3.46Å; M188-E192 PolarHBondContact O-N 3.1Å; M188-L203 HydrophobicContact CB-CD2 3.93Å; M188-P304 HydrophobicContact SD-CB 3.84Å; M188-Y308 HydrophobicContact CE-CE2 4.38Å; M188-Y308 HydrophobicContact SD-CE2 4.4Å; M188-L689 WeakPolarHBondContact CE-O 3.24Å; M188-F690 HydrophobicContact CE-CB 4.14Å; M188-F690 HydrophobicContact CG-CD1 4.14Å; M188-F690 HydrophobicContact SD-CB 3.96Å; M188-F690 HydrophobicContact SD-CD1 4.42Å
189A95.3Very high91.9Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-59.7-37.217600000112Q104 F106 I185 G186 A193 L203 W205Q104-A189 PolarHBondContact NE2-O 3.19Å; F106-A189 HydrophobicContact CB-CB 3.64Å; F106-A189 HydrophobicContact CD1-CB 4.19Å; F106-A189 HydrophobicContact CD2-CB 4.2Å; F106-A189 HydrophobicContact CG-CB 3.76Å; I185-A189 PolarHBondContact O-N 3.48Å; G186-A189 PolarHBondContact O-N 3.36Å; A189-A193 VanDerWaalsContact O-CB 3.25Å; A189-A193 WeakPolarHBondContact O-CB 3.47Å; A189-A193 PolarHBondContact O-N 3.46Å; A189-L203 HydrophobicContact CB-CD1 4.26Å; A189-L203 HydrophobicContact CB-CD2 4.12Å; A189-L203 HydrophobicContact CB-CG 4.35Å; A189-W205 HydrophobicContact CB-CB 4.2Å
190W96.4Very high91Very high1 Ų133.2 Ų33.20%0.00417%0.174CC..Hα-helixtrans-73-44.1175.9-170.687.5000112.4Q104 Y125 I176 L178 G186 L187 M188 A193 Y194 I215Q104-W190 VanDerWaalsContact OE1-CA 3.28Å; Y125-W190 AromaticContact CD1-CD1 3.86Å; Y125-W190 AromaticContact CD1-NE1 3.46Å; Y125-W190 AromaticContact CD2-NE1 3.92Å; Y125-W190 AromaticContact CE1-NE1 3.75Å; Y125-W190 AromaticContact CG-NE1 3.58Å; I176-W190 HydrophobicContact CD1-CH2 3.89Å; I176-W190 HydrophobicContact CD1-CZ2 4.22Å; I176-W190 HydrophobicContact CG2-CH2 4.04Å; I176-W190 HydrophobicContact CG2-CZ2 3.76Å; L178-W190 HydrophobicContact CD1-CB 4.28Å; L178-W190 HydrophobicContact CD1-CD2 3.8Å; L178-W190 HydrophobicContact CD1-CG 3.63Å; L178-W190 HydrophobicContact CD2-CB 4.47Å; L178-W190 HydrophobicContact CD2-CD2 3.63Å; L178-W190 HydrophobicContact CD2-CE3 3.5Å; L178-W190 VanDerWaalsContact CD2-CE3 3.5Å; L178-W190 HydrophobicContact CD2-CG 4.06Å; L178-W190 HydrophobicContact CD2-CZ3 3.97Å; L178-W190 HydrophobicContact CG-CD2 4.35Å; G186-W190 PolarHBondContact O-N 3.12Å; L187-W190 PolarHBondContact O-N 3.32Å; M188-W190 PolarHBondContact O-N 2.93Å; W190-A193 CarbonylContact O-C 3.54Å; W190-A193 PolarHBondContact O-N 3.1Å; W190-Y194 AromaticContact CH2-CD2 3.32Å; W190-Y194 HydrophobicContact CH2-CD2 3.32Å; W190-Y194 AromaticContact CH2-CE2 3.62Å; W190-Y194 HydrophobicContact CH2-CE2 3.62Å; W190-Y194 AromaticContact CH2-CG 3.96Å; W190-Y194 HydrophobicContact CH2-CG 3.96Å; W190-Y194 AromaticContact CZ2-CD2 3.43Å; W190-Y194 HydrophobicContact CZ2-CD2 3.43Å; W190-Y194 VanDerWaalsContact CZ2-CD2 3.43Å; W190-Y194 AromaticContact CZ2-CE2 3.78Å; W190-Y194 HydrophobicContact CZ2-CE2 3.78Å; W190-Y194 HydrophobicContact CZ2-CG 4.39Å; W190-Y194 AromaticContact CZ3-CD2 3.92Å; W190-Y194 HydrophobicContact CZ3-CD2 3.92Å; W190-Y194 HydrophobicContact CZ3-CG 4.12Å; W190-Y194 WeakPolarHBondContact O-CB 3.33Å; W190-Y194 PolarHBondContact O-N 3.28Å; W190-I215 HydrophobicContact CH2-CD1 3.83Å; W190-I215 HydrophobicContact CZ3-CD1 3.8Å
191L96Very high90.3Very high2 Ų240.1 Ų40.11%0.0121%0.211CC..Hα-helixtrans-65-46.2179.7-72.9168.2000112.4L187 M188 A193 Y194 H195 P304 L305 Y308L187-L191 HydrophobicContact CD1-CD1 4Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 3.89Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.12Å; M188-L191 PolarHBondContact O-N 2.8Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 2.94Å; L191-Y194 WeakPolarHBondContact O-CB 3.21Å; L191-Y194 PolarHBondContact O-N 3.23Å; L191-Y194 VanDerWaalsContact O-N 3.11Å; L191-H195 PolarHBondContact O-CD2 2.77Å; L191-H195 VanDerWaalsContact O-CD2 3.3Å; L191-H195 PolarHBondContact O-N 3.22Å; L191-P304 HydrophobicContact CD1-CB 4.11Å; L191-L305 HydrophobicContact CD1-CD1 4.09Å; L191-L305 HydrophobicContact CD2-CG 4.4Å; L191-Y308 HydrophobicContact CB-CD2 4.18Å; L191-Y308 HydrophobicContact CB-CE2 3.64Å; L191-Y308 HydrophobicContact CD1-CD2 3.98Å; L191-Y308 HydrophobicContact CD1-CE2 3.85Å; L191-Y308 HydrophobicContact CD2-CD2 4.34Å; L191-Y308 HydrophobicContact CG-CD2 4.4Å; L191-Y308 HydrophobicContact CG-CE2 4.24Å
192E95.1Very high89.9Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-58-46.5175-78.5-162.9-170.300111.2M188 Y194 H195 G196 T197 N199 S200 W205M188-E192 HydrophobicContact CE-CG 4.36Å; M188-E192 WeakPolarHBondContact O-CB 3.46Å; M188-E192 PolarHBondContact O-N 3.1Å; E192-Y194 VanDerWaalsContact C-N 3.29Å; E192-Y194 PolarHBondContact O-N 3.1Å; E192-H195 PolarHBondContact O-N 2.98Å; E192-G196 WeakPolarHBondContact O-CA 3.47Å; E192-G196 PolarHBondContact O-N 2.77Å; E192-T197 WeakPolarHBondContact CB-O 3.32Å; E192-T197 VanDerWaalsContact CG-O 3.24Å; E192-T197 WeakPolarHBondContact CG-O 3.47Å; E192-T197 PolarHBondContact O-N 2.94Å; E192-T197 VanDerWaalsContact O-N 3.14Å; E192-N199 WeakPolarHBondContact OE1-CB 3.3Å; E192-N199 PolarHBondContact OE1-N 3.24Å; E192-S200 PolarHBondContact OE1-N 3.22Å; E192-S200 PolarHBondContact OE1-OG 2.86Å; E192-W205 HydrophobicContact CB-CZ2 4.19Å; E192-W205 VanDerWaalsContact CB-NE1 3.32Å; E192-W205 PolarHBondContact OE2-NE1 3.36Å
193A95.3Very high89.9Confident0 Ų036.5 Ų36.50%020%0.198CC..Hα-helixtrans-70.1-20.5176.600000114.1A189 W190 L191 W205 L208 R211A189-A193 VanDerWaalsContact O-CB 3.25Å; A189-A193 WeakPolarHBondContact O-CB 3.47Å; A189-A193 PolarHBondContact O-N 3.46Å; W190-A193 CarbonylContact O-C 3.54Å; W190-A193 PolarHBondContact O-N 3.1Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 2.94Å; A193-W205 HydrophobicContact CB-CD2 3.68Å; A193-W205 HydrophobicContact CB-CE3 3.39Å; A193-W205 HydrophobicContact CB-CG 4.21Å; A193-W205 HydrophobicContact CB-CH2 4.37Å; A193-W205 HydrophobicContact CB-CZ3 3.78Å; A193-L208 HydrophobicContact CB-CD1 4.38Å; A193-L208 HydrophobicContact CB-CD2 4.06Å; A193-L208 HydrophobicContact CB-CG 3.85Å; A193-R211 PolarHBondContact O-NE 3.33Å; A193-R211 PolarHBondContact O-NH2 2.88Å
194Y96.1Very high90Very high21 Ų2138.5 Ų38.58%0.08221%0.206CC..Hα-helixtrans-76.9-46.2173.8-161.3-88.2000111.1I176 W190 L191 E192 L208 S212 G213 I215I176-Y194 HydrophobicContact CD1-CE2 3.78Å; W190-Y194 AromaticContact CH2-CD2 3.32Å; W190-Y194 HydrophobicContact CH2-CD2 3.32Å; W190-Y194 AromaticContact CH2-CE2 3.62Å; W190-Y194 HydrophobicContact CH2-CE2 3.62Å; W190-Y194 AromaticContact CH2-CG 3.96Å; W190-Y194 HydrophobicContact CH2-CG 3.96Å; W190-Y194 AromaticContact CZ2-CD2 3.43Å; W190-Y194 HydrophobicContact CZ2-CD2 3.43Å; W190-Y194 VanDerWaalsContact CZ2-CD2 3.43Å; W190-Y194 AromaticContact CZ2-CE2 3.78Å; W190-Y194 HydrophobicContact CZ2-CE2 3.78Å; W190-Y194 HydrophobicContact CZ2-CG 4.39Å; W190-Y194 AromaticContact CZ3-CD2 3.92Å; W190-Y194 HydrophobicContact CZ3-CD2 3.92Å; W190-Y194 HydrophobicContact CZ3-CG 4.12Å; W190-Y194 WeakPolarHBondContact O-CB 3.33Å; W190-Y194 PolarHBondContact O-N 3.28Å; L191-Y194 WeakPolarHBondContact O-CB 3.21Å; L191-Y194 PolarHBondContact O-N 3.23Å; L191-Y194 VanDerWaalsContact O-N 3.11Å; E192-Y194 VanDerWaalsContact C-N 3.29Å; E192-Y194 PolarHBondContact O-N 3.1Å; Y194-L208 HydrophobicContact CD2-CD1 3.7Å; Y194-L208 HydrophobicContact CG-CD1 4.27Å; Y194-S212 WeakPolarHBondContact OH-CA 3.35Å; Y194-S212 PolarHBondContact OH-N 2.81Å; Y194-S212 PolarHBondContact OH-O 3.12Å; Y194-S212 VanDerWaalsContact OH-O 3.08Å; Y194-G213 PolarHBondContact OH-O 3.14Å; Y194-I215 HydrophobicContact CD1-CD1 3.98Å; Y194-I215 HydrophobicContact CD1-CG1 4.41Å; Y194-I215 HydrophobicContact CE1-CD1 3.77Å; Y194-I215 HydrophobicContact CE1-CG1 3.73Å; Y194-I215 HydrophobicContact CE2-CD1 4.45Å; Y194-I215 HydrophobicContact CG-CD1 4.41Å
195H94Very high90.1Very high81 Ų8139.6 Ų39.638%0.37521%0.21SC..Hα-helixtrans-86.9-14.1-177.4-70.1-78000114.1L191 E192 T197 Y308L191-H195 PolarHBondContact O-CD2 2.77Å; L191-H195 VanDerWaalsContact O-CD2 3.3Å; L191-H195 PolarHBondContact O-N 3.22Å; E192-H195 PolarHBondContact O-N 2.98Å; H195-T197 HydrophobicContact CB-CG2 4.13Å; H195-Y308 HydrophobicContact CB-CD1 4.21Å; H195-Y308 HydrophobicContact CB-CE1 4.11Å; H195-Y308 AromaticContact CD2-CD1 3.32Å; H195-Y308 WeakPolarHBondContact CD2-CD1 3.25Å; H195-Y308 AromaticContact CD2-CE1 3.75Å; H195-Y308 AromaticContact CD2-CG 3.87Å; H195-Y308 AromaticContact CG-CD1 3.68Å; H195-Y308 AromaticContact NE2-CD1 3.79Å; H195-Y308 AromaticContact NE2-CG 3.96Å
196G90.4Very high90.2Very high52 Ų5240.6 Ų40.654%0.53622%0.219SC..THydrogen-bonded Turntrans74.326.6-177.200000113.4E192E192-G196 WeakPolarHBondContact O-CA 3.47Å; E192-G196 PolarHBondContact O-N 2.77Å
197T85.8Confident90.2Very high45 Ų4548.2 Ų48.228%0.27625%0.254SS..  trans-108.5126.4-175.354.40000110.6E192 H195 N199E192-T197 WeakPolarHBondContact CB-O 3.32Å; E192-T197 VanDerWaalsContact CG-O 3.24Å; E192-T197 WeakPolarHBondContact CG-O 3.47Å; E192-T197 PolarHBondContact O-N 2.94Å; E192-T197 VanDerWaalsContact O-N 3.14Å; H195-T197 HydrophobicContact CB-CG2 4.13Å; T197-N199 PolarHBondContact OG1-ND2 3.43Å; T197-N199 VanDerWaalsContact OG1-ND2 3.08Å
198I78.9Confident90.2Very high141 Ų14149 Ų4972%0.72326%0.258SS*.  trans-93.8102171-56.7170000106.7W205I198-W205 HydrophobicContact CG1-CZ2 4.33Å
199N74.2Confident90.1Very high97 Ų9751.6 Ų51.652%0.51929%0.286SS..  trans-110.4-23.1-174.9-61.4-38.8000112.9E192 T197 Y308E192-N199 WeakPolarHBondContact OE1-CB 3.3Å; E192-N199 PolarHBondContact OE1-N 3.24Å; T197-N199 PolarHBondContact OG1-ND2 3.43Å; T197-N199 VanDerWaalsContact OG1-ND2 3.08Å; N199-Y308 PolarHBondContact ND2-OH 2.89Å; N199-Y308 VanDerWaalsContact ND2-OH 3.1Å
200S77.6Confident89.9Confident3 Ų352 Ų522%0.02129%0.29CS..  trans-125.4111.7-175.153.90000113.2E192 N202 L203 D688E192-S200 PolarHBondContact OE1-N 3.22Å; E192-S200 PolarHBondContact OE1-OG 2.86Å; S200-N202 PolarHBondContact O-N 2.66Å; S200-L203 PolarHBondContact O-N 3.23Å; S200-L203 VanDerWaalsContact O-N 3.14Å; S200-L203 WeakPolarHBondContact OG-CB 3.23Å; S200-D688 WeakPolarHBondContact CB-O 3.47Å
201D80Confident89.7Confident146 Ų14657.3 Ų57.378%0.78131%0.31SS*.THydrogen-bonded Turntrans-54.6-25-177.3-68.2-24.2000114.6
202N85Confident89.5Confident26 Ų2658.2 Ų58.214%0.13932%0.317CS..THydrogen-bonded Turntrans-91.9-1.6-173.2-66.3-39.4000113.5F108 S109 H110 S200 D688F108-N202 WeakPolarHBondContact CA-O 3.22Å; F108-N202 HydrophobicContact CD2-CB 4.18Å; F108-N202 VanDerWaalsContact CD2-O 3.29Å; F108-N202 WeakPolarHBondContact CD2-O 3.15Å; F108-N202 HydrophobicContact CE2-CB 3.75Å; S109-N202 PolarHBondContact N-O 3.13Å; S109-N202 WeakPolarHBondContact O-CB 3.41Å; S109-N202 PolarHBondContact O-OD1 2.87Å; H110-N202 HydrophobicContact CB-CB 4.43Å; S200-N202 PolarHBondContact O-N 2.66Å; N202-D688 PolarHBondContact ND2-OD2 2.99Å; N202-D688 VanDerWaalsContact ND2-OD2 3.16Å
203L90.8Very high89.4Confident7 Ų759 Ų594%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-121.9125.3-169.3-169.563.7000111.8F108 I185 M188 A189 S200 L689F108-L203 HydrophobicContact CB-CD1 3.86Å; F108-L203 HydrophobicContact CD2-CB 4.25Å; F108-L203 HydrophobicContact CD2-CD1 3.81Å; F108-L203 HydrophobicContact CG-CD1 4.24Å; I185-L203 HydrophobicContact CG2-CD1 3.98Å; M188-L203 HydrophobicContact CB-CD2 3.93Å; A189-L203 HydrophobicContact CB-CD1 4.26Å; A189-L203 HydrophobicContact CB-CD2 4.12Å; A189-L203 HydrophobicContact CB-CG 4.35Å; S200-L203 PolarHBondContact O-N 3.23Å; S200-L203 VanDerWaalsContact O-N 3.14Å; S200-L203 WeakPolarHBondContact OG-CB 3.23Å; L203-L689 HydrophobicContact CD2-CD2 4.33Å
204F92Very high89.4Confident116 Ų11660.9 Ų60.951%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-117.2136.4175.6-55.8-82.1000109.6F106 S107F106-F204 CarbonylContact C-O 3.6Å; F106-F204 VanDerWaalsContact CA-O 3.23Å; F106-F204 WeakPolarHBondContact CA-O 3.46Å; F106-F204 WeakPolarHBondContact CB-O 3.3Å; S107-F204 PolarHBondContact N-O 2.69Å; S107-F204 PolarHBondContact O-N 3.26Å
205W93.8Very high89.3Confident65 Ų6560.1 Ų60.125%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-137.5149-175.544-101.4000111.9F106 A189 E192 A193 I198F106-W205 HydrophobicContact CB-CB 4.42Å; A189-W205 HydrophobicContact CB-CB 4.2Å; E192-W205 HydrophobicContact CB-CZ2 4.19Å; E192-W205 VanDerWaalsContact CB-NE1 3.32Å; E192-W205 PolarHBondContact OE2-NE1 3.36Å; A193-W205 HydrophobicContact CB-CD2 3.68Å; A193-W205 HydrophobicContact CB-CE3 3.39Å; A193-W205 HydrophobicContact CB-CG 4.21Å; A193-W205 HydrophobicContact CB-CH2 4.37Å; A193-W205 HydrophobicContact CB-CZ3 3.78Å; I198-W205 HydrophobicContact CG1-CZ2 4.33Å
206S94.1Very high89.4Confident44 Ų4457.2 Ų57.231%0.30832%0.322SS..  trans-75.9152.2168.280.70000110.6Q104 D105Q104-S206 WeakPolarHBondContact CG-OG 3.14Å; Q104-S206 PolarHBondContact NE2-O 2.84Å; D105-S206 PolarHBondContact N-OG 3.37Å; D105-S206 WeakPolarHBondContact O-CB 3.35Å; D105-S206 PolarHBondContact O-N 3.08Å; D105-S206 PolarHBondContact O-OG 3.12Å
207E93.3Very high89.6Confident160 Ų16054.9 Ų54.975%0.74830%0.298SS*.  trans-57.6151.4166.4-64.4-167.1151.700111.1G209E207-G209 PolarHBondContact O-N 2.88Å
208L95.5Very high90.1Very high17 Ų1752.9 Ų52.99%0.08929%0.286CS..  trans-81.5114.7178.9-63.8-175.7000110.5Q104 Y125 A193 Y194 G210 R211Q104-L208 HydrophobicContact CB-CD2 3.87Å; Q104-L208 HydrophobicContact CG-CD2 3.7Å; Y125-L208 HydrophobicContact CE1-CD2 3.95Å; Y125-L208 WeakPolarHBondContact OH-CB 3.23Å; A193-L208 HydrophobicContact CB-CD1 4.38Å; A193-L208 HydrophobicContact CB-CD2 4.06Å; A193-L208 HydrophobicContact CB-CG 3.85Å; Y194-L208 HydrophobicContact CD2-CD1 3.7Å; Y194-L208 HydrophobicContact CG-CD1 4.27Å; L208-G210 PolarHBondContact O-N 3.03Å; L208-G210 VanDerWaalsContact O-N 3.09Å; L208-R211 HydrophobicContact CB-CG 4.01Å; L208-R211 HydrophobicContact CD1-CG 4.13Å
209G92.1Very high91Very high59 Ų5946.2 Ų46.261%0.60825%0.252SS*.SBendtrans-59-17.4175.300000114.9Y102 Y125 E207Y102-G209 WeakPolarHBondContact CE1-O 3.41Å; Y125-G209 PolarHBondContact OH-N 3.44Å; E207-G209 PolarHBondContact O-N 2.88Å
210G91.2Very high92Very high8 Ų841.7 Ų41.78%0.08223%0.227CC..  trans-144.6141.7166.400000111.8Y125 L208Y125-G210 WeakPolarHBondContact CE2-O 3.44Å; Y125-G210 PolarHBondContact OH-N 3.27Å; Y125-G210 PolarHBondContact OH-O 3Å; L208-G210 PolarHBondContact O-N 3.03Å; L208-G210 VanDerWaalsContact O-N 3.09Å
211R92Very high92.9Very high114 Ų11441.6 Ų41.643%0.4323%0.227SC..  trans-123.7165.9170.9-69.8-171.3-178.8132.3-3.2110.8R129 A193 L208R129-R211 PolarHBondContact NH1-O 3.22Å; R129-R211 PolarHBondContact NH2-O 3.27Å; A193-R211 PolarHBondContact O-NE 3.33Å; A193-R211 PolarHBondContact O-NH2 2.88Å; L208-R211 HydrophobicContact CB-CG 4.01Å; L208-R211 HydrophobicContact CD1-CG 4.13Å
212S93.3Very high93.6Very high21 Ų2135 Ų3515%0.14719%0.191CC..  trans-125.9-166.1167.5-173.10000109D174 Y194D174-S212 WeakPolarHBondContact CB-OG 3.22Å; D174-S212 PolarHBondContact OD2-OG 3.45Å; Y194-S212 WeakPolarHBondContact OH-CA 3.35Å; Y194-S212 PolarHBondContact OH-N 2.81Å; Y194-S212 PolarHBondContact OH-O 3.12Å; Y194-S212 VanDerWaalsContact OH-O 3.08Å
213G92.4Very high94Very high17 Ų1733.8 Ų33.818%0.17519%0.185CC..SBendtrans-78.5-159.3-178.300000114.9R135 T136 Y194 I215R135-G213 WeakPolarHBondContact O-CA 3.27Å; R135-G213 PolarHBondContact O-N 3.45Å; T136-G213 CarbonylContact O-C 3.55Å; T136-G213 WeakPolarHBondContact O-CA 3.37Å; Y194-G213 PolarHBondContact OH-O 3.14Å; G213-I215 PolarHBondContact O-N 2.89Å
214S94.3Very high93.9Very high39 Ų3937 Ų3727%0.27320%0.196SC..EExtended strand (participates in β ladder)trans-61.1121.8175.31760000110.2T136 E137 A138 Q216 R351T136-S214 PolarHBondContact O-N 2.84Å; E137-S214 CarbonylContact C-O 3.51Å; E137-S214 WeakPolarHBondContact CA-O 3.3Å; A138-S214 PolarHBondContact N-O 3.21Å; S214-Q216 PolarHBondContact O-N 2.87Å; S214-Q216 PolarHBondContact OG-OE1 3.15Å; S214-R351 PolarHBondContact OG-NH2 2.76Å
215I95.6Very high93.8Very high5 Ų534 Ų343%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-69.2119.8171.7-52.8173.4000107.7A138 V140 I176 W190 Y194 G213 I310A138-I215 HydrophobicContact CB-CG1 4.41Å; A138-I215 CarbonylContact O-C 3.54Å; A138-I215 WeakPolarHBondContact O-CA 3.48Å; V140-I215 HydrophobicContact CB-CG2 4.06Å; V140-I215 HydrophobicContact CG1-CG2 3.7Å; I176-I215 HydrophobicContact CD1-CD1 4.45Å; I176-I215 HydrophobicContact CD1-CG1 4.33Å; W190-I215 HydrophobicContact CH2-CD1 3.83Å; W190-I215 HydrophobicContact CZ3-CD1 3.8Å; Y194-I215 HydrophobicContact CD1-CD1 3.98Å; Y194-I215 HydrophobicContact CD1-CG1 4.41Å; Y194-I215 HydrophobicContact CE1-CD1 3.77Å; Y194-I215 HydrophobicContact CE1-CG1 3.73Å; Y194-I215 HydrophobicContact CE2-CD1 4.45Å; Y194-I215 HydrophobicContact CG-CD1 4.41Å; G213-I215 PolarHBondContact O-N 2.89Å; I215-I310 HydrophobicContact CB-CD1 3.8Å; I215-I310 HydrophobicContact CB-CG1 4.1Å; I215-I310 HydrophobicContact CB-CG2 4.37Å; I215-I310 HydrophobicContact CD1-CD1 3.96Å; I215-I310 HydrophobicContact CG1-CD1 4.4Å; I215-I310 HydrophobicContact CG2-CD1 4.07Å; I215-I310 HydrophobicContact CG2-CG1 4.3Å; I215-I310 HydrophobicContact CG2-CG2 3.66Å
216Q94.4Very high93.6Very high20 Ų2031 Ų319%0.09317%0.174CC..EExtended strand (participates in β ladder)trans-96.5-24.1-175.9-63.4-6540.200113.4E137 A138 S214 P311E137-Q216 HydrophobicContact CB-CG 4.11Å; E137-Q216 HydrophobicContact CG-CG 4.21Å; E137-Q216 PolarHBondContact OE1-NE2 3.12Å; A138-Q216 PolarHBondContact O-N 2.67Å; S214-Q216 PolarHBondContact O-N 2.87Å; S214-Q216 PolarHBondContact OG-OE1 3.15Å; Q216-P311 WeakPolarHBondContact O-CD 3.32Å
217A95.6Very high93.2Very high3 Ų331.1 Ų31.13%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-163163.5168.900000111.9V140 P311 I345 F352V140-A217 PolarHBondContact N-O 2.82Å; V140-A217 VanDerWaalsContact N-O 3.08Å; A217-P311 CarbonylContact C-O 3.59Å; A217-P311 WeakPolarHBondContact CA-O 3.48Å; A217-P311 WeakPolarHBondContact CB-O 3.32Å; A217-I345 HydrophobicContact CB-CG2 3.62Å; A217-F352 HydrophobicContact CB-CE2 4.08Å
218G95.8Very high92.7Very high2 Ų224.3 Ų24.32%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-127.1147.2177.600000115V140 P311 A312 I313V140-G218 CarbonylContact O-C 3.5Å; V140-G218 VanDerWaalsContact O-CA 3.29Å; V140-G218 WeakPolarHBondContact O-CA 3.42Å; G218-P311 PolarHBondContact N-O 3.04Å; G218-A312 WeakPolarHBondContact O-CA 3.18Å; G218-A312 WeakPolarHBondContact O-CB 3.45Å; G218-I313 PolarHBondContact O-N 2.87Å
219L97.3Very high92Very high2 Ų225.1 Ų25.11%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-131.7109175.7-17562.2000110.7V140 I141 I142 L221 I313 L315 L338 I341 L342V140-L219 PolarHBondContact O-N 2.95Å; I141-L219 CarbonylContact C-O 3.53Å; I141-L219 VanDerWaalsContact CA-O 3.3Å; I141-L219 WeakPolarHBondContact CA-O 3.29Å; I142-L219 PolarHBondContact N-O 2.9Å; L219-L221 HydrophobicContact CD1-CD2 4.42Å; L219-L221 HydrophobicContact CD2-CD2 4.19Å; L219-L221 HydrophobicContact CG-CD2 3.94Å; L219-I313 HydrophobicContact CD1-CD1 4.13Å; L219-I313 HydrophobicContact CD1-CG1 3.92Å; L219-L315 HydrophobicContact CD1-CD1 3.83Å; L219-L315 HydrophobicContact CD1-CG 3.89Å; L219-L338 HydrophobicContact CD2-CD2 4.03Å; L219-I341 HydrophobicContact CD2-CG2 4.18Å; L219-L342 HydrophobicContact CD2-CD2 4.17Å; L219-L342 HydrophobicContact CD2-CG 4.31Å
220S96.7Very high91.9Very high1 Ų122.3 Ų22.31%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-91.9130.3176.2156.60000110.2I313 T314 L315S220-I313 PolarHBondContact N-O 2.81Å; S220-T314 VanDerWaalsContact CB-OG1 3.24Å; S220-T314 WeakPolarHBondContact CB-OG1 3.39Å; S220-T314 CarbonylContact O-C 3.55Å; S220-T314 WeakPolarHBondContact O-CA 3.38Å; S220-T314 PolarHBondContact OG-OG1 2.97Å; S220-L315 PolarHBondContact O-N 3.04Å
221L96.2Very high92.1Very high2 Ų221.9 Ų21.91%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-115.6124.9-178.6-57.5-177.6000111.2I141 I142 S154 V158 L219 F223 L315 L338I141-L221 HydrophobicContact CG2-CD1 4.12Å; I141-L221 HydrophobicContact CG2-CG 4.44Å; I142-L221 PolarHBondContact O-N 2.65Å; S154-L221 PolarHBondContact OG-O 3.01Å; V158-L221 HydrophobicContact CG2-CD1 3.97Å; L219-L221 HydrophobicContact CD1-CD2 4.42Å; L219-L221 HydrophobicContact CD2-CD2 4.19Å; L219-L221 HydrophobicContact CG-CD2 3.94Å; L221-F223 HydrophobicContact CD2-CE2 3.98Å; L221-F223 HydrophobicContact CD2-CZ 4.12Å; L221-L315 HydrophobicContact CD2-CB 4.1Å; L221-L315 HydrophobicContact CD2-CD1 4.1Å; L221-L315 HydrophobicContact CD2-CG 4.39Å; L221-L338 HydrophobicContact CD1-CD1 4.29Å; L221-L338 HydrophobicContact CD1-CD2 4.26Å; L221-L338 HydrophobicContact CD2-CD2 3.69Å
222E94Very high92.2Very high8 Ų817 Ų174%0.0379%0.093CC..EExtended strand (participates in β ladder)trans-126.949.4-177-68.4-177-163.900111.2Y151 T314 L315 R316 A317Y151-E222 VanDerWaalsContact CD1-CA 3.48Å; Y151-E222 HydrophobicContact CD1-CB 4.04Å; Y151-E222 HydrophobicContact CE1-CB 3.63Å; Y151-E222 HydrophobicContact CE1-CG 4.1Å; Y151-E222 HydrophobicContact CE2-CG 4.31Å; E222-T314 HydrophobicContact CB-CG2 4.43Å; E222-T314 VanDerWaalsContact CD-CG2 3.46Å; E222-T314 HydrophobicContact CG-CG2 3.9Å; E222-T314 WeakPolarHBondContact OE1-CG2 3.33Å; E222-L315 PolarHBondContact N-O 3.33Å; E222-R316 HydrophobicContact CB-CB 4.25Å; E222-R316 HydrophobicContact CB-CG 4.32Å; E222-R316 IonicContact OE1-NH2 3.06Å; E222-R316 IonicContact OE2-CZ 3.58Å; E222-R316 IonicContact OE2-NE 3.45Å; E222-R316 PolarHBondContact OE2-NE 3.38Å; E222-R316 IonicContact OE2-NH2 3.78Å; E222-R316 PolarHBondContact OE2-NH2 2.92Å; E222-A317 PolarHBondContact O-N 3.47Å
223F93.2Very high92.3Very high0 Ų016 Ų160%09%0.086CC..  trans-95112.6175.4-48-30.8000110.5Y151 G153 S154 Y157 L221 I231 L315 A317 V334 L338Y151-F223 CarbonylContact C-O 3.51Å; Y151-F223 WeakPolarHBondContact CA-O 3.41Å; G153-F223 WeakPolarHBondContact CA-O 3.39Å; G153-F223 PolarHBondContact N-O 3.05Å; S154-F223 PolarHBondContact N-O 2.93Å; S154-F223 WeakPolarHBondContact OG-CA 3.44Å; S154-F223 WeakPolarHBondContact OG-CB 3.23Å; S154-F223 PolarHBondContact OG-N 2.89Å; S154-F223 PolarHBondContact OG-O 2.71Å; Y157-F223 AromaticContact CD2-CD2 3.81Å; Y157-F223 HydrophobicContact CD2-CD2 3.81Å; Y157-F223 AromaticContact CE2-CD2 3.94Å; Y157-F223 HydrophobicContact CE2-CD2 3.94Å; L221-F223 HydrophobicContact CD2-CE2 3.98Å; L221-F223 HydrophobicContact CD2-CZ 4.12Å; F223-I231 HydrophobicContact CE1-CD1 4.36Å; F223-I231 HydrophobicContact CE1-CG1 4.21Å; F223-I231 HydrophobicContact CE1-CG2 4.18Å; F223-I231 HydrophobicContact CZ-CD1 3.9Å; F223-I231 HydrophobicContact CZ-CG1 4.27Å; F223-I231 HydrophobicContact CZ-CG2 4.35Å; F223-L315 HydrophobicContact CE1-CB 3.81Å; F223-L315 VanDerWaalsContact CE1-O 3.23Å; F223-L315 WeakPolarHBondContact CE1-O 3.38Å; F223-L315 HydrophobicContact CZ-CB 3.69Å; F223-L315 HydrophobicContact CZ-CD1 4.36Å; F223-A317 HydrophobicContact CB-CB 4.28Å; F223-A317 HydrophobicContact CD1-CB 3.64Å; F223-A317 HydrophobicContact CE1-CB 4.43Å; F223-A317 HydrophobicContact CG-CB 4.32Å; F223-V334 HydrophobicContact CE2-CG1 4.32Å; F223-L338 HydrophobicContact CE2-CD1 4.29Å; F223-L338 HydrophobicContact CE2-CD2 4.48Å
224R90Very high92.4Very high74 Ų7415.3 Ų15.328%0.2798%0.078SC..SBendtrans-75-37.3176.9-62.2178.1-175.7-177.4-2.9112.4P149 Y151 G153P149-R224 VanDerWaalsContact CG-NE 3.31Å; Y151-R224 HydrophobicContact CD1-CG 3.86Å; Y151-R224 HydrophobicContact CE1-CG 4.03Å; G153-R224 PolarHBondContact N-O 2.9Å; G153-R224 VanDerWaalsContact N-O 3.12Å
225N89.7Confident92.4Very high52 Ų5213.5 Ų13.528%0.2787%0.066SC..SBendtrans-119.9163-176.4-57-45.4000111.3Y71 Y227 Q228Y71-N225 WeakPolarHBondContact OH-CA 3.47Å; Y71-N225 PolarHBondContact OH-OD1 3.31Å; N225-Y227 PolarHBondContact O-N 3.43Å; N225-Q228 PolarHBondContact O-NE2 3.35Å
226L89.7Confident92.4Very high2 Ų213.5 Ų13.51%0.017%0.065CC..SBendtrans-74.8-1.9165.6-75-178.9000114.7S67 I68 Y71 A156 Y157 Q228 P326 I331S67-L226 WeakPolarHBondContact O-CD1 3.48Å; I68-L226 HydrophobicContact CB-CD1 4.49Å; I68-L226 HydrophobicContact CG1-CD1 4.07Å; Y71-L226 HydrophobicContact CD1-CB 4.36Å; Y71-L226 HydrophobicContact CD1-CD1 3.44Å; Y71-L226 VanDerWaalsContact CD1-CD1 3.44Å; Y71-L226 HydrophobicContact CD1-CG 3.72Å; Y71-L226 HydrophobicContact CD2-CD1 4.42Å; Y71-L226 HydrophobicContact CD2-CG 3.92Å; Y71-L226 HydrophobicContact CE1-CB 4.3Å; Y71-L226 HydrophobicContact CE1-CD1 4.15Å; Y71-L226 HydrophobicContact CE1-CG 4.12Å; Y71-L226 HydrophobicContact CE2-CG 4.35Å; Y71-L226 HydrophobicContact CG-CD1 3.57Å; Y71-L226 HydrophobicContact CG-CG 3.57Å; A156-L226 HydrophobicContact CB-CD2 4.01Å; Y157-L226 HydrophobicContact CD1-CD2 4.45Å; Y157-L226 HydrophobicContact CE1-CD2 3.99Å; Y157-L226 HydrophobicContact CE2-CD2 4.02Å; Y157-L226 PolarHBondContact OH-O 3.23Å; Y157-L226 VanDerWaalsContact OH-O 3.11Å; L226-Q228 PolarHBondContact O-NE2 2.88Å; L226-P326 HydrophobicContact CB-CG 4.02Å; L226-I331 HydrophobicContact CB-CD1 4.48Å; L226-I331 HydrophobicContact CB-CG1 4.46Å; L226-I331 HydrophobicContact CD1-CD1 4.23Å
227Y85.1Confident92.3Very high48 Ų4812.6 Ų12.619%0.1886%0.062CC..  trans-109.5130.9171.3179.1-102000109.6N225 R322 P326 E330N225-Y227 PolarHBondContact O-N 3.43Å; Y227-R322 HydrophobicContact CD1-CB 4.01Å; Y227-R322 HydrophobicContact CE1-CB 4.16Å; Y227-R322 PolarHBondContact OH-NH1 2.94Å; Y227-P326 HydrophobicContact CD2-CB 4.4Å; Y227-E330 WeakPolarHBondContact CD2-OE2 3.22Å; Y227-E330 WeakPolarHBondContact CE2-OE2 3.49Å
228Q81.9Confident92.2Very high17 Ų1712.5 Ų12.58%0.0796%0.06CC..  trans-130.2114.7174.4-49.775.422.900107.9Y157 N225 L226 I231 A317Y157-Q228 PolarHBondContact OH-NE2 2.88Å; Y157-Q228 PolarHBondContact OH-OE1 2.81Å; N225-Q228 PolarHBondContact O-NE2 3.35Å; L226-Q228 PolarHBondContact O-NE2 2.88Å; Q228-I231 HydrophobicContact CB-CG1 4.4Å; Q228-A317 HydrophobicContact CB-CB 4.3Å; Q228-A317 HydrophobicContact CG-CB 3.76Å
229S81.8Confident92Very high33 Ų3312.9 Ų12.923%0.2316%0.062CC..SBendtrans-71.2-24.5171.349.90000112.5E318S229-E318 VanDerWaalsContact OG-CD 3.25Å; S229-E318 PolarHBondContact OG-OE2 2.95Å
230A90.4Very high91.6Very high0 Ų012.9 Ų12.90%06%0.063CC..  trans-161.9157.3171.400000109.4V261 R263 E318A230-V261 CarbonylContact C-O 3.48Å; A230-V261 WeakPolarHBondContact CA-O 3.3Å; A230-V261 HydrophobicContact CB-CB 3.97Å; A230-V261 HydrophobicContact CB-CG1 3.92Å; A230-V261 VanDerWaalsContact CB-O 3.3Å; A230-V261 WeakPolarHBondContact CB-O 3.29Å; A230-R263 VanDerWaalsContact CB-NH1 3.34Å; A230-E318 PolarHBondContact O-N 3Å
231I94Very high91.4Very high0 Ų015.2 Ų15.20%08%0.075CC..EExtended strand (participates in β ladder)trans-106.1125.9168.8-63.5177000108.2F223 Q228 V260 V261 T262 R263 L315 V334 L337F223-I231 HydrophobicContact CE1-CD1 4.36Å; F223-I231 HydrophobicContact CE1-CG1 4.21Å; F223-I231 HydrophobicContact CE1-CG2 4.18Å; F223-I231 HydrophobicContact CZ-CD1 3.9Å; F223-I231 HydrophobicContact CZ-CG1 4.27Å; F223-I231 HydrophobicContact CZ-CG2 4.35Å; Q228-I231 HydrophobicContact CB-CG1 4.4Å; I231-V260 HydrophobicContact CD1-CG1 3.87Å; I231-V260 HydrophobicContact CG1-CG1 4.07Å; I231-V261 PolarHBondContact N-O 3.5Å; I231-T262 CarbonylContact O-C 3.54Å; I231-T262 WeakPolarHBondContact O-CA 3.23Å; I231-R263 PolarHBondContact O-N 3.25Å; I231-L315 HydrophobicContact CG2-CB 3.87Å; I231-L315 HydrophobicContact CG2-CD1 4.44Å; I231-L315 HydrophobicContact CG2-CD2 4.04Å; I231-L315 HydrophobicContact CG2-CG 4.34Å; I231-V334 HydrophobicContact CD1-CG1 4.32Å; I231-V334 HydrophobicContact CD1-CG2 4.33Å; I231-L337 HydrophobicContact CD1-CD2 3.73Å
232D94.7Very high91.3Very high10 Ų1015.5 Ų15.55%0.0538%0.076CC..EExtended strand (participates in β ladder)trans-96.7124.3174.2-160.220.3000109.1R263 V264 N265 S266 R316D232-R263 HydrophobicContact CB-CB 4.34Å; D232-R263 VanDerWaalsContact OD1-C 3.29Å; D232-R263 VanDerWaalsContact OD1-CB 3.23Å; D232-R263 WeakPolarHBondContact OD1-CB 3.32Å; D232-V264 PolarHBondContact OD1-N 3.02Å; D232-N265 PolarHBondContact OD1-N 3.26Å; D232-S266 WeakPolarHBondContact OD1-CA 3.43Å; D232-S266 PolarHBondContact OD1-N 3.34Å; D232-S266 VanDerWaalsContact OD2-CA 3.23Å; D232-S266 WeakPolarHBondContact OD2-CA 3.33Å; D232-S266 WeakPolarHBondContact OD2-CB 3.44Å; D232-S266 PolarHBondContact OD2-N 3.44Å; D232-S266 PolarHBondContact OD2-OG 3.41Å; D232-R316 PolarHBondContact N-O 2.88Å; D232-R316 PolarHBondContact O-N 2.83Å
233I95.8Very high91.4Very high0 Ų015.1 Ų15.10%07%0.074CC..EExtended strand (participates in β ladder)trans-96.3129-178.1-50.4162.3000108.1V248 V251 V252 T262 R263 V264 N265 I313 L315I233-V248 HydrophobicContact CG2-CG1 4.13Å; I233-V251 HydrophobicContact CD1-CB 3.91Å; I233-V251 HydrophobicContact CD1-CG1 3.69Å; I233-V251 HydrophobicContact CG1-CB 4.47Å; I233-V251 HydrophobicContact CG1-CG1 3.94Å; I233-V252 HydrophobicContact CD1-CG2 3.59Å; I233-T262 HydrophobicContact CD1-CG2 4.2Å; I233-R263 PolarHBondContact N-O 3.35Å; I233-V264 HydrophobicContact CB-CG2 4.22Å; I233-V264 HydrophobicContact CD1-CG2 4.4Å; I233-V264 WeakPolarHBondContact O-CA 3.25Å; I233-N265 PolarHBondContact O-N 3.06Å; I233-I313 HydrophobicContact CG2-CD1 4.4Å; I233-L315 HydrophobicContact CB-CD2 4.31Å; I233-L315 HydrophobicContact CG1-CD2 3.89Å; I233-L315 HydrophobicContact CG2-CD2 4.11Å
234L94.6Very high91.4Very high4 Ų415.1 Ų15.12%0.0218%0.075CC..EExtended strand (participates in β ladder)trans-124.1103.4-173.7-61.4174000108.6H302 T314 R316L234-H302 PolarHBondContact O-CE1 2.66Å; L234-H302 PolarHBondContact O-ND1 3Å; L234-T314 HydrophobicContact CB-CG2 4.48Å; L234-T314 HydrophobicContact CD1-CG2 4.09Å; L234-T314 PolarHBondContact N-O 3.29Å; L234-T314 PolarHBondContact O-N 3.15Å; L234-R316 HydrophobicContact CD1-CB 3.88Å
235P95Very high91.7Very high1 Ų111.7 Ų11.71%0.0066%0.062CC..  trans-98.60.4-178.837.6-37.7000115.1G237 L242 A243 V248 H302P235-G237 PolarHBondContact O-N 2.89Å; P235-L242 CarbonylContact O-C 3.46Å; P235-L242 VanDerWaalsContact O-CA 3.29Å; P235-L242 WeakPolarHBondContact O-CA 3.17Å; P235-A243 HydrophobicContact CB-CB 3.77Å; P235-A243 PolarHBondContact O-N 3.17Å; P235-V248 HydrophobicContact CB-CG2 3.86Å; P235-H302 PolarHBondContact O-NE2 3.34Å
236E94.2Very high91.9Very high5 Ų59.3 Ų9.32%0.0235%0.049CC..BIsolated β-bridgetrans-81.5114.6-174.2-54.668.9-15300113L242 N265 N292 Q293 P298 T299 H302E236-L242 HydrophobicContact CB-CD2 4.38Å; E236-L242 HydrophobicContact CG-CD2 4.04Å; E236-N265 PolarHBondContact OE1-ND2 2.92Å; E236-N265 PolarHBondContact OE1-OD1 3.32Å; E236-N265 PolarHBondContact OE2-OD1 3.44Å; E236-N292 HydrophobicContact CG-CB 4.22Å; E236-Q293 HydrophobicContact CG-CB 4.4Å; E236-P298 CarbonylContact O-C 3.54Å; E236-P298 VanDerWaalsContact O-CA 3.3Å; E236-P298 WeakPolarHBondContact O-CA 3.33Å; E236-T299 HydrophobicContact CB-CG2 3.8Å; E236-T299 HydrophobicContact CG-CG2 4.12Å; E236-T299 PolarHBondContact O-N 3.17Å; E236-T299 PolarHBondContact O-OG1 2.97Å; E236-T299 WeakPolarHBondContact OE2-CB 3.5Å; E236-T299 WeakPolarHBondContact OE2-CG2 3.33Å; E236-T299 PolarHBondContact OE2-OG1 3.1Å; E236-H302 PolarHBondContact N-NE2 3.33Å; E236-H302 PolarHBondContact O-CE1 3.3Å; E236-H302 VanDerWaalsContact O-CE1 3.27Å; E236-H302 PolarHBondContact O-NE2 3.48Å
237G92.9Very high92.2Very high1 Ų19.2 Ų9.21%0.015%0.049CC..  trans-89.8-174.6169.500000113.7P235 L241P235-G237 PolarHBondContact O-N 2.89Å; G237-L241 WeakPolarHBondContact CA-O 3.43Å; G237-L241 PolarHBondContact N-O 3.46Å
238P92.3Very high92.7Very high0 Ų07 Ų70%04%0.04CC..G310 helixtrans-63.9157.4176.329.8-36.5000111.7G240 L241 N296 G303 N307 F690P238-G240 PolarHBondContact O-N 2.96Å; P238-L241 WeakPolarHBondContact O-CB 3.29Å; P238-L241 WeakPolarHBondContact O-CG 3.42Å; P238-L241 PolarHBondContact O-N 2.97Å; P238-N296 CarbonylContact C-O 3.51Å; P238-N296 VanDerWaalsContact CA-O 3.26Å; P238-N296 WeakPolarHBondContact CA-O 3.36Å; P238-G303 WeakPolarHBondContact CD-O 3.26Å; P238-N307 VanDerWaalsContact CG-OD1 3.26Å; P238-N307 WeakPolarHBondContact CG-OD1 3.46Å; P238-F690 HydrophobicContact CB-CD2 4.07Å; P238-F690 HydrophobicContact CB-CE2 4.06Å
239N92.4Very high93.3Very high10 Ų106.2 Ų6.25%0.0534%0.036CC..G310 helixtrans57.818.1172.7-65.7-28.2000115.4L241 N296 G691 C692 W693N239-L241 VanDerWaalsContact C-N 3.3Å; N239-N296 PolarHBondContact N-O 3.38Å; N239-G691 PolarHBondContact ND2-O 3.44Å; N239-C692 WeakPolarHBondContact OD1-CA 3.4Å; N239-W693 HydrophobicContact CB-CD2 3.92Å; N239-W693 HydrophobicContact CB-CE3 3.65Å; N239-W693 HydrophobicContact CB-CH2 4.13Å; N239-W693 HydrophobicContact CB-CZ2 4.38Å; N239-W693 HydrophobicContact CB-CZ3 3.75Å; N239-W693 VanDerWaalsContact CG-CD2 3.41Å; N239-W693 PolarHBondContact ND2-NE1 3.08Å; N239-W693 WeakPolarHBondContact OD1-CB 3.11Å; N239-W693 VanDerWaalsContact OD1-CG 3.32Å; N239-W693 PolarHBondContact OD1-N 2.83Å
240G89.7Confident94Very high3 Ų34.6 Ų4.63%0.0313%0.025CC..G310 helixtrans79.68.2-177.800000114.6P238 Q293P238-G240 PolarHBondContact O-N 2.96Å; G240-Q293 VanDerWaalsContact CA-CG 3.5Å; G240-Q293 PolarHBondContact O-NE2 2.68Å
241L92.7Very high94.3Very high50 Ų504.6 Ų4.626%0.2623%0.025SC..  trans-64.8151.4168.1-59.1176.8000110.1G237 P238 N239 I306G237-L241 WeakPolarHBondContact CA-O 3.43Å; G237-L241 PolarHBondContact N-O 3.46Å; P238-L241 WeakPolarHBondContact O-CB 3.29Å; P238-L241 WeakPolarHBondContact O-CG 3.42Å; P238-L241 PolarHBondContact O-N 2.97Å; N239-L241 VanDerWaalsContact C-N 3.3Å; L241-I306 HydrophobicContact CB-CG2 3.88Å; L241-I306 HydrophobicContact CD1-CG2 4.03Å
242L94.1Very high94.3Very high7 Ų74.7 Ų4.74%0.0373%0.025CC..BIsolated β-bridgetrans-125.8156.6179.9-56.6173.6000111.1P235 E236 Q293 Y359P235-L242 CarbonylContact O-C 3.46Å; P235-L242 VanDerWaalsContact O-CA 3.29Å; P235-L242 WeakPolarHBondContact O-CA 3.17Å; E236-L242 HydrophobicContact CB-CD2 4.38Å; E236-L242 HydrophobicContact CG-CD2 4.04Å; L242-Q293 HydrophobicContact CD2-CG 4.33Å; L242-Y359 HydrophobicContact CB-CE1 4.06Å; L242-Y359 HydrophobicContact CD1-CD1 4Å; L242-Y359 HydrophobicContact CD1-CD2 4.04Å; L242-Y359 HydrophobicContact CD1-CE1 3.93Å; L242-Y359 HydrophobicContact CD1-CE2 3.98Å; L242-Y359 HydrophobicContact CD1-CG 4.06Å; L242-Y359 WeakPolarHBondContact CD1-O 3.35Å
243A94.4Very high94.3Very high0 Ų08.8 Ų8.80%04%0.04CC..  trans-57.3154.2162.400000111.7P235 L245 V248 A312 I313 Y359P235-A243 HydrophobicContact CB-CB 3.77Å; P235-A243 PolarHBondContact O-N 3.17Å; A243-L245 PolarHBondContact O-N 3.29Å; A243-V248 HydrophobicContact CB-CG2 4.49Å; A243-A312 WeakPolarHBondContact CB-O 3.06Å; A243-I313 HydrophobicContact CB-CG2 3.37Å; A243-Y359 VanDerWaalsContact O-CE1 3.26Å; A243-Y359 WeakPolarHBondContact O-CE1 3.4Å; A243-Y359 PolarHBondContact O-OH 3.32Å
244N94.9Very high94.3Very high1 Ų18.9 Ų8.91%0.0054%0.041CC..  trans-59.7131.7172.9-173-72.6000111D246 L247 V248 P311 F352 Q354 S355 W357N244-D246 VanDerWaalsContact C-N 3.27Å; N244-D246 PolarHBondContact O-N 3.17Å; N244-D246 PolarHBondContact OD1-N 3.26Å; N244-L247 WeakPolarHBondContact O-CB 3.29Å; N244-L247 PolarHBondContact O-N 2.8Å; N244-L247 VanDerWaalsContact O-N 3.11Å; N244-V248 PolarHBondContact O-N 3.04Å; N244-P311 HydrophobicContact CB-CB 4.47Å; N244-F352 HydrophobicContact CB-CB 4.38Å; N244-F352 HydrophobicContact CB-CD1 4.03Å; N244-F352 HydrophobicContact CB-CG 4.42Å; N244-Q354 PolarHBondContact ND2-O 3.04Å; N244-S355 WeakPolarHBondContact OD1-CB 3.21Å; N244-W357 HydrophobicContact CB-CE3 4.37Å; N244-W357 HydrophobicContact CB-CH2 3.9Å; N244-W357 HydrophobicContact CB-CZ2 4.1Å; N244-W357 HydrophobicContact CB-CZ3 4.03Å; N244-W357 WeakPolarHBondContact ND2-CZ2 3.31Å
245L95.4Very high94.3Very high2 Ų28.7 Ų8.71%0.014%0.04CC..Hα-helixtrans-59.7-32.6-175.4179.160.7000113.5A243 L247 V248 N249 F356 Y359 L361 Y367A243-L245 PolarHBondContact O-N 3.29Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.19Å; L245-V248 PolarHBondContact O-N 2.91Å; L245-N249 PolarHBondContact O-N 3.28Å; L245-N249 PolarHBondContact O-ND2 3.47Å; L245-N249 PolarHBondContact O-OD1 3.36Å; L245-F356 HydrophobicContact CB-CB 4.32Å; L245-F356 WeakPolarHBondContact CB-O 3.33Å; L245-F356 HydrophobicContact CD2-CB 4.18Å; L245-F356 HydrophobicContact CD2-CD2 4.07Å; L245-F356 PolarHBondContact N-O 2.95Å; L245-Y359 HydrophobicContact CB-CD1 3.94Å; L245-Y359 HydrophobicContact CB-CE1 3.67Å; L245-Y359 HydrophobicContact CD1-CD1 4.49Å; L245-Y359 HydrophobicContact CD1-CD2 4.05Å; L245-Y359 HydrophobicContact CD1-CE1 4.36Å; L245-Y359 HydrophobicContact CD1-CE2 3.9Å; L245-Y359 HydrophobicContact CD1-CG 4.35Å; L245-L361 HydrophobicContact CD1-CD1 4.43Å; L245-L361 HydrophobicContact CD1-CD2 3.99Å; L245-Y367 HydrophobicContact CD2-CD1 4.24Å; L245-Y367 HydrophobicContact CD2-CD2 3.56Å; L245-Y367 HydrophobicContact CD2-CE2 3.91Å; L245-Y367 HydrophobicContact CD2-CG 3.76Å
246D94.7Very high94.2Very high1 Ų113 Ų131%0.0056%0.06CC..Hα-helixtrans-72.6-26.4179.7-76.38.9000112.4S48 E49 L52 N244 N249 T250 S355S48-D246 WeakPolarHBondContact CA-OD2 3.41Å; S48-D246 WeakPolarHBondContact CB-OD2 3.33Å; S48-D246 PolarHBondContact N-OD2 3Å; S48-D246 PolarHBondContact OG-OD2 3.18Å; E49-D246 PolarHBondContact N-OD2 2.86Å; L52-D246 HydrophobicContact CD1-CB 4.01Å; N244-D246 VanDerWaalsContact C-N 3.27Å; N244-D246 PolarHBondContact O-N 3.17Å; N244-D246 PolarHBondContact OD1-N 3.26Å; D246-N249 PolarHBondContact O-N 2.86Å; D246-T250 WeakPolarHBondContact O-CB 3.47Å; D246-T250 PolarHBondContact O-N 3.03Å; D246-T250 PolarHBondContact O-OG1 2.96Å; D246-S355 VanDerWaalsContact CG-OG 3.25Å; D246-S355 VanDerWaalsContact OD1-CB 3.23Å; D246-S355 WeakPolarHBondContact OD1-CB 3.23Å; D246-S355 PolarHBondContact OD1-OG 2.91Å
247L95.3Very high94.1Very high1 Ų116.1 Ų16.11%0.0059%0.087CC..Hα-helixtrans-66.5-41170.8178.756.8000110.9N244 L245 T250 V251 P311 I313 I345 F352N244-L247 WeakPolarHBondContact O-CB 3.29Å; N244-L247 PolarHBondContact O-N 2.8Å; N244-L247 VanDerWaalsContact O-N 3.11Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.19Å; L247-T250 PolarHBondContact O-N 3.48Å; L247-V251 PolarHBondContact O-N 2.63Å; L247-P311 HydrophobicContact CD2-CB 4.38Å; L247-I313 HydrophobicContact CD1-CD1 4.24Å; L247-I313 HydrophobicContact CD1-CG1 4.48Å; L247-I313 HydrophobicContact CD2-CG1 4.13Å; L247-I313 HydrophobicContact CD2-CG2 4.09Å; L247-I313 HydrophobicContact CG-CD1 4Å; L247-I313 HydrophobicContact CG-CG1 4.05Å; L247-I313 HydrophobicContact CG-CG2 4.14Å; L247-I345 HydrophobicContact CD1-CD1 3.61Å; L247-I345 HydrophobicContact CD1-CG1 4.12Å; L247-F352 HydrophobicContact CB-CE1 3.96Å; L247-F352 HydrophobicContact CB-CZ 4.04Å; L247-F352 HydrophobicContact CD1-CZ 4.22Å
248V95.8Very high94Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-64.6-48.7172.9-179.60000110.8I233 P235 A243 N244 L245 T250 V251 V252 V264 I313 L361I233-V248 HydrophobicContact CG2-CG1 4.13Å; P235-V248 HydrophobicContact CB-CG2 3.86Å; A243-V248 HydrophobicContact CB-CG2 4.49Å; N244-V248 PolarHBondContact O-N 3.04Å; L245-V248 PolarHBondContact O-N 2.91Å; V248-T250 PolarHBondContact O-N 3.02Å; V248-V251 PolarHBondContact O-N 3.32Å; V248-V251 VanDerWaalsContact O-N 3.17Å; V248-V252 WeakPolarHBondContact O-CG2 3.24Å; V248-V252 PolarHBondContact O-N 2.91Å; V248-V252 VanDerWaalsContact O-N 3.1Å; V248-V264 HydrophobicContact CG1-CG2 4.4Å; V248-I313 HydrophobicContact CG2-CG2 4.08Å; V248-L361 HydrophobicContact CG1-CD1 3.81Å
249N95.1Very high94Very high1 Ų122.7 Ų22.71%0.00513%0.129CC..Hα-helixtrans-61.3-31.1179.8-63.1-20000112.3T45 Y46 M47 L245 D246 V252 R253T45-N249 VanDerWaalsContact CB-OD1 3.3Å; T45-N249 WeakPolarHBondContact CB-OD1 3.25Å; T45-N249 WeakPolarHBondContact CG2-OD1 3.47Å; Y46-N249 PolarHBondContact O-ND2 2.82Å; M47-N249 HydrophobicContact CE-CB 4.09Å; M47-N249 HydrophobicContact SD-CB 3.57Å; M47-N249 VanDerWaalsContact SD-CB 3.57Å; L245-N249 PolarHBondContact O-N 3.28Å; L245-N249 PolarHBondContact O-ND2 3.47Å; L245-N249 PolarHBondContact O-OD1 3.36Å; D246-N249 PolarHBondContact O-N 2.86Å; N249-V252 PolarHBondContact O-N 2.96Å; N249-R253 WeakPolarHBondContact O-CG 3.49Å; N249-R253 PolarHBondContact O-N 3.31Å
250T95.3Very high94Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-62.9-47.4176.5-65.30000110.7M47 V54 D246 L247 V248 L254M47-T250 WeakPolarHBondContact CE-OG1 3.26Å; V54-T250 HydrophobicContact CG1-CG2 4.22Å; V54-T250 HydrophobicContact CG2-CG2 3.92Å; D246-T250 WeakPolarHBondContact O-CB 3.47Å; D246-T250 PolarHBondContact O-N 3.03Å; D246-T250 PolarHBondContact O-OG1 2.96Å; L247-T250 PolarHBondContact O-N 3.48Å; V248-T250 PolarHBondContact O-N 3.02Å; T250-L254 HydrophobicContact CG2-CD1 3.75Å; T250-L254 WeakPolarHBondContact O-CB 3.18Å; T250-L254 VanDerWaalsContact O-CG 3.3Å; T250-L254 WeakPolarHBondContact O-CG 3.16Å; T250-L254 PolarHBondContact O-N 3.04Å; T250-L254 VanDerWaalsContact O-N 3.07Å
251V96Very high94.1Very high0 Ų026.5 Ų26.50%015%0.152CC..Hα-helixtrans-63.2-44.5175.2-177.50000111.3I233 L247 V248 R253 A255 I313 L315 I341I233-V251 HydrophobicContact CD1-CB 3.91Å; I233-V251 HydrophobicContact CD1-CG1 3.69Å; I233-V251 HydrophobicContact CG1-CB 4.47Å; I233-V251 HydrophobicContact CG1-CG1 3.94Å; L247-V251 PolarHBondContact O-N 2.63Å; V248-V251 PolarHBondContact O-N 3.32Å; V248-V251 VanDerWaalsContact O-N 3.17Å; V251-R253 PolarHBondContact O-N 2.98Å; V251-A255 WeakPolarHBondContact O-CB 3.35Å; V251-A255 PolarHBondContact O-N 3.49Å; V251-I313 HydrophobicContact CG2-CD1 3.38Å; V251-L315 HydrophobicContact CG1-CD1 4.41Å; V251-L315 HydrophobicContact CG1-CD2 3.91Å; V251-L315 HydrophobicContact CG2-CD2 4.34Å; V251-I341 HydrophobicContact CB-CD1 4.31Å; V251-I341 HydrophobicContact CG1-CD1 4.09Å; V251-I341 HydrophobicContact CG2-CD1 3.76Å; V251-I341 HydrophobicContact CG2-CG1 4.05Å
252V95.5Very high94.1Very high1 Ų124.6 Ų24.61%0.00614%0.142CC..Hα-helixtrans-58.6-49-179.3176.70000111.5I233 V248 N249 A255 E256 P364 Y365I233-V252 HydrophobicContact CD1-CG2 3.59Å; V248-V252 WeakPolarHBondContact O-CG2 3.24Å; V248-V252 PolarHBondContact O-N 2.91Å; V248-V252 VanDerWaalsContact O-N 3.1Å; N249-V252 PolarHBondContact O-N 2.96Å; V252-A255 PolarHBondContact O-N 3.43Å; V252-E256 PolarHBondContact O-N 3.27Å; V252-P364 HydrophobicContact CG1-CB 4.06Å; V252-P364 HydrophobicContact CG2-CB 3.95Å; V252-Y365 HydrophobicContact CG1-CD1 4.08Å; V252-Y365 HydrophobicContact CG1-CD2 4.48Å; V252-Y365 HydrophobicContact CG1-CE1 3.59Å; V252-Y365 HydrophobicContact CG1-CE2 4.05Å
253R94.6Very high94Very high96 Ų9626.6 Ų26.636%0.36215%0.15SC..Hα-helixtrans-70.4-39.7-177.6-70179.4-176.3-85.3-8.3113.5T45 M47 V54 N249 V251 A255 E256 A257T45-R253 PolarHBondContact O-NH2 3.45Å; M47-R253 WeakPolarHBondContact SD-CD 3.17Å; M47-R253 PolarHBondContact SD-NE 3.27Å; V54-R253 HydrophobicContact CG1-CB 4.31Å; N249-R253 WeakPolarHBondContact O-CG 3.49Å; N249-R253 PolarHBondContact O-N 3.31Å; V251-R253 PolarHBondContact O-N 2.98Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-E256 PolarHBondContact O-N 3.19Å; R253-A257 PolarHBondContact O-N 3.5Å
254L95.1Very high93.9Very high2 Ų226.7 Ų26.71%0.0115%0.15CC..Hα-helixtrans-68.4-36.4176-69.1169.8000111.4V54 T250 A257 H258 L337 G340 I341V54-L254 HydrophobicContact CG1-CD1 4.16Å; V54-L254 HydrophobicContact CG1-CD2 3.79Å; V54-L254 HydrophobicContact CG1-CG 3.62Å; T250-L254 HydrophobicContact CG2-CD1 3.75Å; T250-L254 WeakPolarHBondContact O-CB 3.18Å; T250-L254 VanDerWaalsContact O-CG 3.3Å; T250-L254 WeakPolarHBondContact O-CG 3.16Å; T250-L254 PolarHBondContact O-N 3.04Å; T250-L254 VanDerWaalsContact O-N 3.07Å; L254-A257 PolarHBondContact O-N 3.42Å; L254-H258 PolarHBondContact O-CD2 3.09Å; L254-H258 PolarHBondContact O-N 3.2Å; L254-L337 HydrophobicContact CB-CD1 3.48Å; L254-L337 VanDerWaalsContact CB-CD1 3.48Å; L254-G340 VanDerWaalsContact CD1-C 3.43Å; L254-I341 HydrophobicContact CD1-CB 4.31Å; L254-I341 HydrophobicContact CD1-CG1 3.69Å
255A94.2Very high93.5Very high0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-68.3-39.717700000111.5V251 V252 R253 A257 H258 S259 V260 T262 L337V251-A255 WeakPolarHBondContact O-CB 3.35Å; V251-A255 PolarHBondContact O-N 3.49Å; V252-A255 PolarHBondContact O-N 3.43Å; R253-A255 VanDerWaalsContact C-N 3.34Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.97Å; A255-H258 CarbonylContact O-C 3.53Å; A255-H258 PolarHBondContact O-N 2.84Å; A255-S259 PolarHBondContact O-N 3.02Å; A255-V260 CarbonylContact C-O 3.57Å; A255-V260 HydrophobicContact CB-CB 4.08Å; A255-V260 PolarHBondContact O-N 3.46Å; A255-T262 HydrophobicContact CB-CG2 3.27Å; A255-L337 HydrophobicContact CB-CD1 3.97Å; A255-L337 HydrophobicContact CB-CD2 3.82Å
256E92.5Very high93Very high92 Ų9230.4 Ų30.443%0.4318%0.176SC..Hα-helixtrans-56.2-48.3170-170.4176.5-157.800111V252 R253 H258 S259V252-E256 PolarHBondContact O-N 3.27Å; R253-E256 PolarHBondContact O-N 3.19Å; E256-H258 PolarHBondContact O-N 3.38Å; E256-S259 PolarHBondContact O-N 3.3Å; E256-S259 VanDerWaalsContact O-N 3.13Å
257A92.6Very high92.7Very high71 Ų7131 Ų3159%0.58718%0.179SC*.Hα-helixtrans-60.4-41.7177.300000113.4R253 L254 A255 S259R253-A257 PolarHBondContact O-N 3.5Å; L254-A257 PolarHBondContact O-N 3.42Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.97Å; A257-S259 VanDerWaalsContact C-N 3.27Å; A257-S259 PolarHBondContact O-N 2.73Å
258H92.2Very high92.3Very high29 Ų2933.4 Ų33.413%0.13420%0.195CC..THydrogen-bonded Turntrans-84.78.4177.3-69-61.6000114.2E59 L254 A255 E256 V260 S333E59-H258 VanDerWaalsContact CD-CE1 3.48Å; E59-H258 IonicContact OE1-CD2 2.65Å; E59-H258 IonicContact OE1-CE1 3.16Å; E59-H258 IonicContact OE1-NE2 3.95Å; E59-H258 PolarHBondContact OE1-NE2 2.79Å; E59-H258 IonicContact OE2-CE1 3.29Å; E59-H258 PolarHBondContact OE2-CE1 3.03Å; E59-H258 VanDerWaalsContact OE2-CE1 3.23Å; E59-H258 IonicContact OE2-NE2 2.72Å; E59-H258 PolarHBondContact OE2-NE2 3.45Å; L254-H258 PolarHBondContact O-CD2 3.09Å; L254-H258 PolarHBondContact O-N 3.2Å; A255-H258 CarbonylContact O-C 3.53Å; A255-H258 PolarHBondContact O-N 2.84Å; E256-H258 PolarHBondContact O-N 3.38Å; H258-V260 HydrophobicContact CB-CG2 4.22Å; H258-V260 PolarHBondContact O-N 3.11Å; H258-S333 VanDerWaalsContact O-CB 3.28Å; H258-S333 WeakPolarHBondContact O-CB 3.5Å; H258-S333 PolarHBondContact O-OG 3.33Å
259S91.3Very high91.9Very high109 Ų10935.9 Ų35.976%0.76221%0.205SC*.THydrogen-bonded Turntrans58.428.1-177.7-58.30000115A255 E256 A257A255-S259 PolarHBondContact O-N 3.02Å; E256-S259 PolarHBondContact O-N 3.3Å; E256-S259 VanDerWaalsContact O-N 3.13Å; A257-S259 VanDerWaalsContact C-N 3.27Å; A257-S259 PolarHBondContact O-N 2.73Å
260V91.7Very high91.5Very high16 Ų1638.1 Ų38.110%0.09722%0.217CC..PPolyproline II helixtrans-91.1125.1175.3-177.70000109.7I231 A255 H258 T262 V334 L337I231-V260 HydrophobicContact CD1-CG1 3.87Å; I231-V260 HydrophobicContact CG1-CG1 4.07Å; A255-V260 CarbonylContact C-O 3.57Å; A255-V260 HydrophobicContact CB-CB 4.08Å; A255-V260 PolarHBondContact O-N 3.46Å; H258-V260 HydrophobicContact CB-CG2 4.22Å; H258-V260 PolarHBondContact O-N 3.11Å; V260-T262 PolarHBondContact O-N 3.14Å; V260-V334 HydrophobicContact CG1-CG2 4.37Å; V260-V334 HydrophobicContact CG2-CG2 4.08Å; V260-L337 HydrophobicContact CB-CD2 4.14Å; V260-L337 HydrophobicContact CG1-CD2 4.07Å; V260-L337 HydrophobicContact CG2-CD2 4.19Å
261V91.8Very high90.9Very high78 Ų7845.3 Ų45.347%0.47325%0.245SC..PPolyproline II helixtrans-70.1123.2179.31800000110.4A230 I231A230-V261 CarbonylContact C-O 3.48Å; A230-V261 WeakPolarHBondContact CA-O 3.3Å; A230-V261 HydrophobicContact CB-CB 3.97Å; A230-V261 HydrophobicContact CB-CG1 3.92Å; A230-V261 VanDerWaalsContact CB-O 3.3Å; A230-V261 WeakPolarHBondContact CB-O 3.29Å; I231-V261 PolarHBondContact N-O 3.5Å
262T92.7Very high90.1Very high10 Ų1053.7 Ų53.76%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-99.8149.6174.8460000113.3I231 I233 A255 V260I231-T262 CarbonylContact O-C 3.54Å; I231-T262 WeakPolarHBondContact O-CA 3.23Å; I233-T262 HydrophobicContact CD1-CG2 4.2Å; A255-T262 HydrophobicContact CB-CG2 3.27Å; V260-T262 PolarHBondContact O-N 3.14Å
263R93.1Very high89.3Confident49 Ų4955.4 Ų55.419%0.18528%0.283CS..EExtended strand (participates in β ladder)trans-131160.7164-59.5-159.4-171.794.95.1109.5A230 I231 D232 I233 Q267 E318A230-R263 VanDerWaalsContact CB-NH1 3.34Å; I231-R263 PolarHBondContact O-N 3.25Å; D232-R263 HydrophobicContact CB-CB 4.34Å; D232-R263 VanDerWaalsContact OD1-C 3.29Å; D232-R263 VanDerWaalsContact OD1-CB 3.23Å; D232-R263 WeakPolarHBondContact OD1-CB 3.32Å; I233-R263 PolarHBondContact N-O 3.35Å; R263-Q267 VanDerWaalsContact CA-O 3.23Å; R263-Q267 WeakPolarHBondContact CA-O 3.3Å; R263-Q267 WeakPolarHBondContact CB-O 3.31Å; R263-E318 IonicContact CZ-OE2 2.67Å; R263-E318 IonicContact NH1-OE1 3.28Å; R263-E318 IonicContact NH1-OE2 3.12Å; R263-E318 PolarHBondContact NH1-OE2 3.47Å; R263-E318 IonicContact NH2-OE1 3.67Å; R263-E318 IonicContact NH2-OE2 3.36Å; R263-E318 PolarHBondContact NH2-OE2 2.9Å
264V91.6Very high88.4Confident1 Ų156.2 Ų56.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-127.1133.1164.6173.10000106.3D232 I233 V248 S266 Q267 L361 P364D232-V264 PolarHBondContact OD1-N 3.02Å; I233-V264 HydrophobicContact CB-CG2 4.22Å; I233-V264 HydrophobicContact CD1-CG2 4.4Å; I233-V264 WeakPolarHBondContact O-CA 3.25Å; V248-V264 HydrophobicContact CG1-CG2 4.4Å; V264-S266 PolarHBondContact O-N 3.24Å; V264-Q267 PolarHBondContact N-O 3.36Å; V264-Q267 WeakPolarHBondContact O-CA 3.11Å; V264-Q267 VanDerWaalsContact O-CB 3.3Å; V264-Q267 WeakPolarHBondContact O-CB 3.44Å; V264-Q267 PolarHBondContact O-N 3.45Å; V264-L361 HydrophobicContact CG1-CB 3.81Å; V264-L361 HydrophobicContact CG1-CD1 3.82Å; V264-L361 HydrophobicContact CG1-CG 4.46Å; V264-L361 HydrophobicContact CG2-CD1 4.2Å; V264-P364 HydrophobicContact CB-CG 4.46Å; V264-P364 HydrophobicContact CG2-CB 4.19Å; V264-P364 HydrophobicContact CG2-CG 4.06Å
265N86.1Confident88Confident6 Ų659.1 Ų59.13%0.03232%0.317CS..THydrogen-bonded Turntrans48.642.2-176.2-73.5-54.2000113.5D232 I233 E236 Q267 K288 N292D232-N265 PolarHBondContact OD1-N 3.26Å; I233-N265 PolarHBondContact O-N 3.06Å; E236-N265 PolarHBondContact OE1-ND2 2.92Å; E236-N265 PolarHBondContact OE1-OD1 3.32Å; E236-N265 PolarHBondContact OE2-OD1 3.44Å; N265-Q267 PolarHBondContact O-N 2.81Å; N265-Q267 VanDerWaalsContact O-N 3.17Å; N265-K288 HydrophobicContact CB-CB 4.36Å; N265-K288 WeakPolarHBondContact O-CD 3.44Å; N265-N292 PolarHBondContact OD1-ND2 3.5Å
266S86.6Confident87.8Confident76 Ų7665.5 Ų65.553%0.53135%0.35SS..THydrogen-bonded Turntrans53.932.5-175.2-68.10000113.4D232 V264 K288D232-S266 WeakPolarHBondContact OD1-CA 3.43Å; D232-S266 PolarHBondContact OD1-N 3.34Å; D232-S266 VanDerWaalsContact OD2-CA 3.23Å; D232-S266 WeakPolarHBondContact OD2-CA 3.33Å; D232-S266 WeakPolarHBondContact OD2-CB 3.44Å; D232-S266 PolarHBondContact OD2-N 3.44Å; D232-S266 PolarHBondContact OD2-OG 3.41Å; V264-S266 PolarHBondContact O-N 3.24Å; S266-K288 PolarHBondContact O-NZ 2.92Å
267Q87.9Confident87.7Confident14 Ų1467.4 Ų67.47%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-119.1121.7174-162.760.734.400110.3R263 V264 N265 N281 P362R263-Q267 VanDerWaalsContact CA-O 3.23Å; R263-Q267 WeakPolarHBondContact CA-O 3.3Å; R263-Q267 WeakPolarHBondContact CB-O 3.31Å; V264-Q267 PolarHBondContact N-O 3.36Å; V264-Q267 WeakPolarHBondContact O-CA 3.11Å; V264-Q267 VanDerWaalsContact O-CB 3.3Å; V264-Q267 WeakPolarHBondContact O-CB 3.44Å; V264-Q267 PolarHBondContact O-N 3.45Å; N265-Q267 PolarHBondContact O-N 2.81Å; N265-Q267 VanDerWaalsContact O-N 3.17Å; Q267-N281 PolarHBondContact NE2-O 3.27Å; Q267-P362 WeakPolarHBondContact CG-O 3.29Å
268S87Confident87.5Confident51 Ų5164.2 Ų64.236%0.35733%0.332SS..EExtended strand (participates in β ladder)trans-92.4152.5174.843.50000111.7
269Y88Confident87.5Confident52 Ų5266 Ų6620%0.20434%0.338CS..PPolyproline II helixtrans-77.2132.5165.2-172.3-110.6000110.5Y271 N363 Y365Y269-Y271 AromaticContact CD1-CD1 3.89Å; Y269-Y271 HydrophobicContact CD1-CD1 3.89Å; Y269-Y271 HydrophobicContact CD1-CD2 4.37Å; Y269-Y271 AromaticContact CD1-CE1 3.87Å; Y269-Y271 HydrophobicContact CD1-CE1 3.87Å; Y269-Y271 HydrophobicContact CD1-CE2 4.37Å; Y269-Y271 HydrophobicContact CD1-CG 4.14Å; Y269-Y271 AromaticContact CE1-CD1 3.62Å; Y269-Y271 HydrophobicContact CE1-CD1 3.62Å; Y269-Y271 AromaticContact CE1-CE1 3.88Å; Y269-Y271 HydrophobicContact CE1-CE1 3.88Å; Y269-Y271 HydrophobicContact CE1-CG 4.11Å; Y269-N363 HydrophobicContact CD2-CB 4.34Å; Y269-N363 WeakPolarHBondContact CD2-OD1 3.46Å; Y269-Y365 AromaticContact CD1-CD2 3.71Å; Y269-Y365 HydrophobicContact CD1-CD2 3.71Å; Y269-Y365 AromaticContact CD1-CE2 3.99Å; Y269-Y365 HydrophobicContact CD1-CE2 3.99Å; Y269-Y365 AromaticContact CD2-CD2 3.89Å; Y269-Y365 HydrophobicContact CD2-CD2 3.89Å; Y269-Y365 HydrophobicContact CD2-CG 4.47Å; Y269-Y365 HydrophobicContact CE1-CD2 4.28Å; Y269-Y365 HydrophobicContact CE2-CD2 4.43Å; Y269-Y365 AromaticContact CG-CD2 3.49Å; Y269-Y365 HydrophobicContact CG-CD2 3.49Å; Y269-Y365 VanDerWaalsContact CG-CD2 3.49Å; Y269-Y365 HydrophobicContact CG-CE2 4.04Å; Y269-Y365 HydrophobicContact CG-CG 4.41Å
270D85.1Confident87.5Confident48 Ų4865 Ų6526%0.25732%0.323SS..PPolyproline II helixtrans-101.7123.5163.5-169.9-18.3000108.5R272 R273 T278D270-R272 PolarHBondContact O-N 2.85Å; D270-R272 WeakPolarHBondContact OD1-CB 3.49Å; D270-R272 PolarHBondContact OD1-N 3.23Å; D270-R272 IonicContact OD1-NE 3.71Å; D270-R272 PolarHBondContact OD1-NE 3.43Å; D270-R272 VanDerWaalsContact OD1-NE 3.16Å; D270-R272 IonicContact OD1-NH2 2.66Å; D270-R272 IonicContact OD2-CZ 2.77Å; D270-R272 IonicContact OD2-NE 3.75Å; D270-R272 PolarHBondContact OD2-NE 3.11Å; D270-R272 IonicContact OD2-NH2 3.81Å; D270-R272 PolarHBondContact OD2-NH2 3.04Å; D270-R273 WeakPolarHBondContact O-CD 3.16Å; D270-T278 HydrophobicContact CB-CG2 3.74Å
271Y83Confident87.6Confident150 Ų15067.4 Ų67.459%0.58834%0.335SS*.SBendtrans-65.3-21177.5-62.5-87.8000112.3Y269 R273Y269-Y271 AromaticContact CD1-CD1 3.89Å; Y269-Y271 HydrophobicContact CD1-CD1 3.89Å; Y269-Y271 HydrophobicContact CD1-CD2 4.37Å; Y269-Y271 AromaticContact CD1-CE1 3.87Å; Y269-Y271 HydrophobicContact CD1-CE1 3.87Å; Y269-Y271 HydrophobicContact CD1-CE2 4.37Å; Y269-Y271 HydrophobicContact CD1-CG 4.14Å; Y269-Y271 AromaticContact CE1-CD1 3.62Å; Y269-Y271 HydrophobicContact CE1-CD1 3.62Å; Y269-Y271 AromaticContact CE1-CE1 3.88Å; Y269-Y271 HydrophobicContact CE1-CE1 3.88Å; Y269-Y271 HydrophobicContact CE1-CG 4.11Å; Y271-R273 PolarHBondContact O-N 3.39Å
272R80.3Confident87.6Confident176 Ų17663.8 Ų63.866%0.66431%0.314SS*.SBendtrans-82.460.5174.6-55.5170.3-59.5159.712.4110.8D270 T278D270-R272 PolarHBondContact O-N 2.85Å; D270-R272 WeakPolarHBondContact OD1-CB 3.49Å; D270-R272 PolarHBondContact OD1-N 3.23Å; D270-R272 IonicContact OD1-NE 3.71Å; D270-R272 PolarHBondContact OD1-NE 3.43Å; D270-R272 VanDerWaalsContact OD1-NE 3.16Å; D270-R272 IonicContact OD1-NH2 2.66Å; D270-R272 IonicContact OD2-CZ 2.77Å; D270-R272 IonicContact OD2-NE 3.75Å; D270-R272 PolarHBondContact OD2-NE 3.11Å; D270-R272 IonicContact OD2-NH2 3.81Å; D270-R272 PolarHBondContact OD2-NH2 3.04Å; R272-T278 WeakPolarHBondContact O-CG2 3.28Å
273R77.8Confident87.7Confident38 Ų3866.1 Ų66.114%0.14332%0.324CS..THydrogen-bonded Turntrans-54.5173.5174-55-60.5-69.2169.31.8111.5D39 D270 Y271 T275 D282D39-R273 IonicContact OD1-CZ 3.22Å; D39-R273 IonicContact OD1-NE 2.66Å; D39-R273 IonicContact OD1-NH2 3.13Å; D39-R273 PolarHBondContact OD1-NH2 3.39Å; D39-R273 VanDerWaalsContact OD1-NH2 3.15Å; D39-R273 IonicContact OD2-CZ 3.14Å; D39-R273 VanDerWaalsContact OD2-CZ 3.29Å; D39-R273 IonicContact OD2-NE 2.98Å; D39-R273 PolarHBondContact OD2-NE 2.95Å; D39-R273 IonicContact OD2-NH2 3.36Å; D39-R273 PolarHBondContact OD2-NH2 2.88Å; D270-R273 WeakPolarHBondContact O-CD 3.16Å; Y271-R273 PolarHBondContact O-N 3.39Å; R273-T275 VanDerWaalsContact C-N 3.29Å; R273-T275 PolarHBondContact O-N 3.32Å; R273-D282 IonicContact CZ-OD2 3.97Å; R273-D282 IonicContact NH1-OD1 3.41Å; R273-D282 PolarHBondContact NH1-OD1 3.41Å; R273-D282 VanDerWaalsContact NH1-OD1 3.14Å; R273-D282 IonicContact NH1-OD2 3.43Å; R273-D282 PolarHBondContact NH1-OD2 2.92Å; R273-D282 IonicContact NH2-OD2 3.76Å; R273-D282 PolarHBondContact NH2-OD2 3.12Å
274V76.6Confident87.6Confident113 Ų11367.6 Ų67.669%0.68533%0.334SS*.THydrogen-bonded Turntrans80.4-27.4179.6-169.40000115.2
275T86.7Confident87.7Confident63 Ų6367.5 Ų67.539%0.38733%0.334SS..SBendtrans-65.5147.3178.576.80000112.2R273 E277 T278 R279R273-T275 VanDerWaalsContact C-N 3.29Å; R273-T275 PolarHBondContact O-N 3.32Å; T275-E277 PolarHBondContact O-N 2.89Å; T275-T278 PolarHBondContact N-OG1 2.9Å; T275-T278 PolarHBondContact O-N 2.79Å; T275-T278 VanDerWaalsContact O-N 3.12Å; T275-T278 PolarHBondContact O-OG1 2.88Å; T275-T278 WeakPolarHBondContact OG1-CG2 3.24Å; T275-T278 PolarHBondContact OG1-N 3.37Å; T275-T278 VanDerWaalsContact OG1-N 3.1Å; T275-T278 PolarHBondContact OG1-OG1 2.83Å; T275-R279 PolarHBondContact O-N 3.18Å; T275-R279 VanDerWaalsContact O-N 3.1Å
276L89.1Confident88.1Confident133 Ų13367.3 Ų67.370%0.69633%0.333SS*.Hα-helixtrans-60.2-33.8176.7-173.1149.1000111.9R279 L280L276-R279 PolarHBondContact O-N 2.63Å; L276-L280 HydrophobicContact CD2-CD1 3.58Å; L276-L280 HydrophobicContact CD2-CG 4.01Å; L276-L280 WeakPolarHBondContact O-CG 3.18Å; L276-L280 PolarHBondContact O-N 3.33Å
277E90.3Very high88.5Confident133 Ų13367.3 Ų67.362%0.62133%0.326SS*.Hα-helixtrans-61.6-46173.6-170.6-176.6171.700112T275 R279 L280 N281T275-E277 PolarHBondContact O-N 2.89Å; E277-R279 PolarHBondContact O-N 3.24Å; E277-L280 PolarHBondContact O-N 3.41Å; E277-N281 WeakPolarHBondContact O-CB 3.4Å; E277-N281 PolarHBondContact O-N 3.26Å; E277-N281 PolarHBondContact O-ND2 3.46Å
278T89.4Confident88.6Confident4 Ų469.2 Ų69.23%0.02533%0.334CS..Hα-helixtrans-63.6-39.8175.557.30000112.5D270 R272 T275 L280 N281 D282D270-T278 HydrophobicContact CB-CG2 3.74Å; R272-T278 WeakPolarHBondContact O-CG2 3.28Å; T275-T278 PolarHBondContact N-OG1 2.9Å; T275-T278 PolarHBondContact O-N 2.79Å; T275-T278 VanDerWaalsContact O-N 3.12Å; T275-T278 PolarHBondContact O-OG1 2.88Å; T275-T278 WeakPolarHBondContact OG1-CG2 3.24Å; T275-T278 PolarHBondContact OG1-N 3.37Å; T275-T278 VanDerWaalsContact OG1-N 3.1Å; T275-T278 PolarHBondContact OG1-OG1 2.83Å; T278-L280 PolarHBondContact O-N 3.38Å; T278-N281 PolarHBondContact O-N 3.07Å; T278-D282 PolarHBondContact O-N 3.39Å
279R91.4Very high88.9Confident66 Ų6667 Ų6725%0.24932%0.319CS..Hα-helixtrans-63.2-37.4175.8-70.9-178.9176.7-904.4113.1Q38 E40 T275 L276 E277 M283Q38-R279 PolarHBondContact NE2-O 2.72Å; Q38-R279 VanDerWaalsContact OE1-CB 3.32Å; E40-R279 IonicContact OE1-CZ 3.11Å; E40-R279 IonicContact OE1-NH1 2.81Å; E40-R279 PolarHBondContact OE1-NH1 3.01Å; E40-R279 IonicContact OE1-NH2 2.71Å; E40-R279 PolarHBondContact OE1-NH2 3.45Å; E40-R279 IonicContact OE2-CZ 2.72Å; E40-R279 IonicContact OE2-NH1 3.51Å; E40-R279 PolarHBondContact OE2-NH1 3.07Å; E40-R279 IonicContact OE2-NH2 2.68Å; T275-R279 PolarHBondContact O-N 3.18Å; T275-R279 VanDerWaalsContact O-N 3.1Å; L276-R279 PolarHBondContact O-N 2.63Å; E277-R279 PolarHBondContact O-N 3.24Å; R279-M283 PolarHBondContact O-N 2.69Å
280L92.4Very high89.2Confident89 Ų8965 Ų6547%0.46631%0.312SS..Hα-helixtrans-72-36.7173-72.3179.8000112.3L276 E277 T278 M283 M284L276-L280 HydrophobicContact CD2-CD1 3.58Å; L276-L280 HydrophobicContact CD2-CG 4.01Å; L276-L280 WeakPolarHBondContact O-CG 3.18Å; L276-L280 PolarHBondContact O-N 3.33Å; E277-L280 PolarHBondContact O-N 3.41Å; T278-L280 PolarHBondContact O-N 3.38Å; L280-M283 HydrophobicContact CD2-CE 3.93Å; L280-M283 WeakPolarHBondContact O-CB 3.32Å; L280-M283 PolarHBondContact O-N 2.9Å; L280-M284 PolarHBondContact O-N 3.17Å
281N92Very high89.5Confident65 Ų6566.6 Ų66.635%0.34831%0.314SS..Hα-helixtrans-64.8-40.5176.8-82.2-33.8000112.2Q267 E277 T278 M284 G285Q267-N281 PolarHBondContact NE2-O 3.27Å; E277-N281 WeakPolarHBondContact O-CB 3.4Å; E277-N281 PolarHBondContact O-N 3.26Å; E277-N281 PolarHBondContact O-ND2 3.46Å; T278-N281 PolarHBondContact O-N 3.07Å; N281-M284 PolarHBondContact O-N 2.95Å; N281-G285 PolarHBondContact O-N 2.81Å
282D92.8Very high89.9Confident3 Ų361.6 Ų61.62%0.01630%0.298CS..Hα-helixtrans-64.8-39.8172.1-67.5-34.6000112.2R273 T278 M284 G285 L286 P362 N363R273-D282 IonicContact CZ-OD2 3.97Å; R273-D282 IonicContact NH1-OD1 3.41Å; R273-D282 PolarHBondContact NH1-OD1 3.41Å; R273-D282 VanDerWaalsContact NH1-OD1 3.14Å; R273-D282 IonicContact NH1-OD2 3.43Å; R273-D282 PolarHBondContact NH1-OD2 2.92Å; R273-D282 IonicContact NH2-OD2 3.76Å; R273-D282 PolarHBondContact NH2-OD2 3.12Å; T278-D282 PolarHBondContact O-N 3.39Å; D282-M284 VanDerWaalsContact C-N 3.33Å; D282-G285 PolarHBondContact O-N 3.47Å; D282-L286 PolarHBondContact O-N 2.72Å; D282-P362 HydrophobicContact CB-CB 4.26Å; D282-P362 WeakPolarHBondContact O-CB 3.42Å; D282-N363 PolarHBondContact OD1-ND2 3.49Å
283M94.1Very high90.5Very high58 Ų5853.5 Ų53.529%0.28627%0.267SS..Hα-helixtrans-62.9-41174.9-172.7-170.671.600111.3C34 R279 L280 G285 L286 I287C34-M283 HydrophobicContact CB-CG 4.48Å; C34-M283 HydrophobicContact CB-SD 4.34Å; R279-M283 PolarHBondContact O-N 2.69Å; L280-M283 HydrophobicContact CD2-CE 3.93Å; L280-M283 WeakPolarHBondContact O-CB 3.32Å; L280-M283 PolarHBondContact O-N 2.9Å; M283-G285 VanDerWaalsContact C-N 3.33Å; M283-L286 PolarHBondContact O-N 2.97Å; M283-I287 HydrophobicContact CE-CD1 4.38Å; M283-I287 HydrophobicContact CG-CD1 4.19Å; M283-I287 VanDerWaalsContact O-CG1 3.31Å; M283-I287 WeakPolarHBondContact O-CG1 3.44Å; M283-I287 PolarHBondContact O-N 3.38Å
284M92.4Very high91.1Very high80 Ų8052 Ų5239%0.39426%0.264SS..Hα-helixtrans-66.7-34.6173.8-168.163.4-166.100111.8L280 N281 D282 I287 K288L280-M284 PolarHBondContact O-N 3.17Å; N281-M284 PolarHBondContact O-N 2.95Å; D282-M284 VanDerWaalsContact C-N 3.33Å; M284-I287 PolarHBondContact O-N 3.03Å; M284-K288 HydrophobicContact CE-CG 4.32Å; M284-K288 VanDerWaalsContact O-CG 3.28Å; M284-K288 WeakPolarHBondContact O-CG 3.48Å; M284-K288 PolarHBondContact O-N 3.5Å
285G92.6Very high91.6Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-59.4-47.5170.600000112.8N281 D282 M283 I287 K288 A289N281-G285 PolarHBondContact O-N 2.81Å; D282-G285 PolarHBondContact O-N 3.47Å; M283-G285 VanDerWaalsContact C-N 3.33Å; G285-I287 PolarHBondContact O-N 2.97Å; G285-K288 PolarHBondContact O-N 2.76Å; G285-A289 PolarHBondContact O-N 3.47Å
286L95.4Very high91.7Very high2 Ų246.2 Ų46.21%0.0123%0.231CC..Hα-helixtrans-59.2-45.3173.9176.257.6000111.6F33 L36 D282 M283 K288 A289 V290 F360 P362 I368F33-L286 HydrophobicContact CE1-CD1 4.5Å; F33-L286 HydrophobicContact CE1-CD2 4.36Å; F33-L286 HydrophobicContact CE1-CG 4.38Å; F33-L286 HydrophobicContact CZ-CD1 4.46Å; F33-L286 WeakPolarHBondContact O-CD2 3.35Å; L36-L286 HydrophobicContact CB-CD2 4.48Å; D282-L286 PolarHBondContact O-N 2.72Å; M283-L286 PolarHBondContact O-N 2.97Å; L286-K288 PolarHBondContact O-N 3.37Å; L286-A289 PolarHBondContact O-N 3.36Å; L286-V290 HydrophobicContact CD1-CG2 4.19Å; L286-V290 WeakPolarHBondContact O-CG2 3.26Å; L286-V290 PolarHBondContact O-N 3.46Å; L286-F360 HydrophobicContact CD1-CB 3.71Å; L286-F360 HydrophobicContact CD1-CD1 4.13Å; L286-F360 HydrophobicContact CD1-CD2 4.01Å; L286-F360 HydrophobicContact CD1-CG 3.69Å; L286-P362 HydrophobicContact CB-CB 4.35Å; L286-I368 HydrophobicContact CD1-CD1 3.88Å; L286-I368 HydrophobicContact CD2-CD1 4.15Å
287I93.5Very high91.7Very high75 Ų7541 Ų4139%0.38521%0.206SC..Hα-helixtrans-62.7-40.3177.8-68.4164.5000111.4M283 M284 G285 W291M283-I287 HydrophobicContact CE-CD1 4.38Å; M283-I287 HydrophobicContact CG-CD1 4.19Å; M283-I287 VanDerWaalsContact O-CG1 3.31Å; M283-I287 WeakPolarHBondContact O-CG1 3.44Å; M283-I287 PolarHBondContact O-N 3.38Å; M284-I287 PolarHBondContact O-N 3.03Å; G285-I287 PolarHBondContact O-N 2.97Å; I287-W291 VanDerWaalsContact O-CB 3.31Å; I287-W291 WeakPolarHBondContact O-CB 3.49Å; I287-W291 PolarHBondContact O-N 2.94Å
288K91.2Very high91.8Very high55 Ų5534.9 Ų34.924%0.23918%0.177CC..Hα-helixtrans-64.5-44174.4-71.5173-173.9170.70112.3N265 S266 M284 G285 L286 V290 W291 N292N265-K288 HydrophobicContact CB-CB 4.36Å; N265-K288 WeakPolarHBondContact O-CD 3.44Å; S266-K288 PolarHBondContact O-NZ 2.92Å; M284-K288 HydrophobicContact CE-CG 4.32Å; M284-K288 VanDerWaalsContact O-CG 3.28Å; M284-K288 WeakPolarHBondContact O-CG 3.48Å; M284-K288 PolarHBondContact O-N 3.5Å; G285-K288 PolarHBondContact O-N 2.76Å; L286-K288 PolarHBondContact O-N 3.37Å; K288-V290 VanDerWaalsContact C-N 3.35Å; K288-V290 PolarHBondContact O-N 3.34Å; K288-W291 PolarHBondContact O-N 3.3Å; K288-N292 WeakPolarHBondContact O-CB 3.25Å; K288-N292 PolarHBondContact O-N 2.94Å
289A93.2Very high91.9Very high4 Ų435.8 Ų35.83%0.03318%0.183CC..Hα-helixtrans-61.7-43.9177.900000111.2G285 L286 N292 Q293 F360G285-A289 PolarHBondContact O-N 3.47Å; L286-A289 PolarHBondContact O-N 3.36Å; A289-N292 PolarHBondContact O-N 2.98Å; A289-Q293 VanDerWaalsContact O-CB 3.26Å; A289-Q293 WeakPolarHBondContact O-CB 3.37Å; A289-Q293 PolarHBondContact O-N 2.9Å; A289-F360 HydrophobicContact CB-CD1 4.01Å
290V94.8Very high91.9Very high9 Ų932.7 Ų32.76%0.05517%0.171CC..Hα-helixtrans-62.6-41.8173.1170.60000111.9F33 L286 K288 G294 F360 S598 V601 V602F33-V290 HydrophobicContact CE1-CG2 3.9Å; F33-V290 HydrophobicContact CZ-CG2 3.7Å; L286-V290 HydrophobicContact CD1-CG2 4.19Å; L286-V290 WeakPolarHBondContact O-CG2 3.26Å; L286-V290 PolarHBondContact O-N 3.46Å; K288-V290 VanDerWaalsContact C-N 3.35Å; K288-V290 PolarHBondContact O-N 3.34Å; V290-G294 WeakPolarHBondContact O-CA 3.49Å; V290-G294 PolarHBondContact O-N 2.71Å; V290-F360 HydrophobicContact CB-CE1 4.38Å; V290-F360 HydrophobicContact CG2-CD1 4.07Å; V290-F360 HydrophobicContact CG2-CE1 3.44Å; V290-F360 VanDerWaalsContact CG2-CE1 3.44Å; V290-F360 HydrophobicContact CG2-CE2 4.42Å; V290-F360 HydrophobicContact CG2-CZ 3.64Å; V290-S598 WeakPolarHBondContact CA-OG 3.1Å; V290-S598 WeakPolarHBondContact O-CB 3.16Å; V290-V601 HydrophobicContact CG1-CB 4.44Å; V290-V601 HydrophobicContact CG1-CG1 4.21Å; V290-V602 HydrophobicContact CG1-CG2 3.95Å
291W91.4Very high91.9Very high83 Ų8328.6 Ų28.631%0.31415%0.15SC..Hα-helixtrans-63.3-47.2178.2-175.9-98.4000112.3I287 K288 S295 V652 I655I287-W291 VanDerWaalsContact O-CB 3.31Å; I287-W291 WeakPolarHBondContact O-CB 3.49Å; I287-W291 PolarHBondContact O-N 2.94Å; K288-W291 PolarHBondContact O-N 3.3Å; W291-S295 PolarHBondContact O-N 3.45Å; W291-V652 HydrophobicContact CH2-CB 4.45Å; W291-V652 HydrophobicContact CH2-CG1 3.89Å; W291-V652 HydrophobicContact CH2-CG2 4.17Å; W291-V652 HydrophobicContact CZ2-CG1 4Å; W291-I655 HydrophobicContact CH2-CG2 4.48Å
292N90.4Very high92.1Very high44 Ų4425.5 Ų25.524%0.23513%0.134CC..Hα-helixtrans-66.1-54.9-179.1-70.9-1.6000110.9E236 N265 K288 A289 G294 S295 T299E236-N292 HydrophobicContact CG-CB 4.22Å; N265-N292 PolarHBondContact OD1-ND2 3.5Å; K288-N292 WeakPolarHBondContact O-CB 3.25Å; K288-N292 PolarHBondContact O-N 2.94Å; A289-N292 PolarHBondContact O-N 2.98Å; N292-G294 VanDerWaalsContact C-N 3.32Å; N292-G294 PolarHBondContact O-N 3.09Å; N292-S295 WeakPolarHBondContact O-CB 3.49Å; N292-S295 PolarHBondContact O-N 3.27Å; N292-S295 PolarHBondContact O-OG 2.74Å; N292-T299 HydrophobicContact CB-CG2 3.87Å
293Q92.6Very high92.1Very high6 Ų625.4 Ų25.43%0.02813%0.133CC..Hα-helixtrans-61.5-38.6178.8-169.8-169.637.300112E236 G240 L242 A289 S295 N296 N596 S598E236-Q293 HydrophobicContact CG-CB 4.4Å; G240-Q293 VanDerWaalsContact CA-CG 3.5Å; G240-Q293 PolarHBondContact O-NE2 2.68Å; L242-Q293 HydrophobicContact CD2-CG 4.33Å; A289-Q293 VanDerWaalsContact O-CB 3.26Å; A289-Q293 WeakPolarHBondContact O-CB 3.37Å; A289-Q293 PolarHBondContact O-N 2.9Å; Q293-S295 PolarHBondContact O-N 3.23Å; Q293-N296 PolarHBondContact O-N 2.76Å; Q293-N596 PolarHBondContact O-ND2 3.07Å; Q293-S598 PolarHBondContact OE1-OG 3.34Å
294G90.6Very high92.1Very high8 Ų822.6 Ų22.68%0.08212%0.119CC..Hα-helixtrans-68.4-14.1-177.100000115.2V290 N292 N296 S599V290-G294 WeakPolarHBondContact O-CA 3.49Å; V290-G294 PolarHBondContact O-N 2.71Å; N292-G294 VanDerWaalsContact C-N 3.32Å; N292-G294 PolarHBondContact O-N 3.09Å; G294-N296 VanDerWaalsContact C-N 3.29Å; G294-S599 WeakPolarHBondContact O-CB 3.43Å; G294-S599 PolarHBondContact O-OG 3.17Å
295S86.8Confident92.2Very high50 Ų5018.9 Ų18.935%0.3510%0.101SC..THydrogen-bonded Turntrans-72.9-18.8174.975.90000114.1W291 N292 Q293 S297 T694W291-S295 PolarHBondContact O-N 3.45Å; N292-S295 WeakPolarHBondContact O-CB 3.49Å; N292-S295 PolarHBondContact O-N 3.27Å; N292-S295 PolarHBondContact O-OG 2.74Å; Q293-S295 PolarHBondContact O-N 3.23Å; S295-S297 PolarHBondContact O-N 2.89Å; S295-S297 PolarHBondContact OG-N 3.4Å; S295-S297 VanDerWaalsContact OG-N 3.1Å; S295-S297 PolarHBondContact OG-O 3.29Å; S295-T694 PolarHBondContact O-OG1 3.42Å
296N90Very high92.3Very high4 Ų419.7 Ų19.72%0.02111%0.105CC..  trans57.7-3.2-164.9-44.5-76.3000115.8P238 N239 Q293 G294 N596 C692 T694P238-N296 CarbonylContact C-O 3.51Å; P238-N296 VanDerWaalsContact CA-O 3.26Å; P238-N296 WeakPolarHBondContact CA-O 3.36Å; N239-N296 PolarHBondContact N-O 3.38Å; Q293-N296 PolarHBondContact O-N 2.76Å; G294-N296 VanDerWaalsContact C-N 3.29Å; N296-N596 PolarHBondContact OD1-ND2 3.03Å; N296-C692 PolarHBondContact O-SG 2.9Å; N296-T694 WeakPolarHBondContact CB-OG1 3.23Å; N296-T694 PolarHBondContact ND2-OG1 2.88Å
297S89.6Confident92Very high23 Ų2322.7 Ų22.716%0.16112%0.121CC..SBendtrans-81.5137.2173.1165.90000109.2S295 Q682 E686S295-S297 PolarHBondContact O-N 2.89Å; S295-S297 PolarHBondContact OG-N 3.4Å; S295-S297 VanDerWaalsContact OG-N 3.1Å; S295-S297 PolarHBondContact OG-O 3.29Å; S297-Q682 PolarHBondContact OG-NE2 3.34Å; S297-E686 PolarHBondContact OG-OE1 3.17Å
298P92.2Very high92Very high4 Ų420.9 Ų20.93%0.02611%0.11CC..  trans-65.9146.4172.927.9-33.9000111.9Y184 E236 F690Y184-P298 HydrophobicContact CE1-CG 3.88Å; Y184-P298 PolarHBondContact OH-O 3.06Å; E236-P298 CarbonylContact O-C 3.54Å; E236-P298 VanDerWaalsContact O-CA 3.3Å; E236-P298 WeakPolarHBondContact O-CA 3.33Å; P298-F690 HydrophobicContact CG-CE2 4.04Å; P298-F690 HydrophobicContact CG-CZ 3.95Å
299T90.8Very high92Very high23 Ų2325.3 Ų25.314%0.14113%0.131CC..SBendtrans-83.6-8.8-17848.40000114.3E236 N292 R316E236-T299 HydrophobicContact CB-CG2 3.8Å; E236-T299 HydrophobicContact CG-CG2 4.12Å; E236-T299 PolarHBondContact O-N 3.17Å; E236-T299 PolarHBondContact O-OG1 2.97Å; E236-T299 WeakPolarHBondContact OE2-CB 3.5Å; E236-T299 WeakPolarHBondContact OE2-CG2 3.33Å; E236-T299 PolarHBondContact OE2-OG1 3.1Å; N292-T299 HydrophobicContact CB-CG2 3.87Å; T299-R316 PolarHBondContact O-NH1 3.4Å; T299-R316 PolarHBondContact O-NH2 3.49Å
300G91.5Very high92.1Very high1 Ų125.3 Ų25.31%0.0113%0.131CC..SBendtrans-172.5179.8173.400000112.4Y184 H302 G303Y184-G300 PolarHBondContact OH-O 3.08Å; G300-H302 PolarHBondContact O-N 3.14Å; G300-G303 PolarHBondContact O-N 3.39Å
301L92.9Very high92.1Very high3 Ų325.2 Ų25.22%0.01613%0.13CC..THydrogen-bonded Turntrans-59.4-12.5-172.3-73.1-177.6000115.8I142 P180 E183 Y184 L187 G303 T314I142-L301 HydrophobicContact CG2-CB 4.21Å; I142-L301 HydrophobicContact CG2-CD1 3.88Å; P180-L301 HydrophobicContact CG-CD1 4.09Å; E183-L301 HydrophobicContact CB-CD2 3.94Å; E183-L301 HydrophobicContact CG-CD2 4.41Å; Y184-L301 HydrophobicContact CD1-CD2 3.69Å; Y184-L301 HydrophobicContact CE1-CD2 3.84Å; Y184-L301 HydrophobicContact CG-CD2 4.24Å; L187-L301 HydrophobicContact CD2-CB 4.28Å; L187-L301 HydrophobicContact CD2-CD2 4.15Å; L187-L301 WeakPolarHBondContact CD2-O 3.43Å; L301-G303 PolarHBondContact O-N 3.16Å; L301-T314 PolarHBondContact N-OG1 2.96Å
302H95.2Very high92.3Very high1 Ų121.2 Ų21.21%0.00512%0.115CC..THydrogen-bonded Turntrans-66.6-24.1172.978.4-81.4000113.5L234 P235 E236 G300 L305 A312 T314L234-H302 PolarHBondContact O-CE1 2.66Å; L234-H302 PolarHBondContact O-ND1 3Å; P235-H302 PolarHBondContact O-NE2 3.34Å; E236-H302 PolarHBondContact N-NE2 3.33Å; E236-H302 PolarHBondContact O-CE1 3.3Å; E236-H302 VanDerWaalsContact O-CE1 3.27Å; E236-H302 PolarHBondContact O-NE2 3.48Å; G300-H302 PolarHBondContact O-N 3.14Å; H302-L305 WeakPolarHBondContact O-CB 3.38Å; H302-L305 PolarHBondContact O-N 2.8Å; H302-A312 HydrophobicContact CB-CB 3.82Å; H302-A312 PolarHBondContact CD2-O 2.77Å; H302-T314 PolarHBondContact N-OG1 3Å; H302-T314 WeakPolarHBondContact ND1-CB 3.46Å; H302-T314 PolarHBondContact ND1-N 3.02Å; H302-T314 PolarHBondContact ND1-OG1 3.31Å
303G93.8Very high92.6Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-57.5-53.4-16700000115.5P238 G300 L301 L305 I306P238-G303 WeakPolarHBondContact CD-O 3.26Å; G300-G303 PolarHBondContact O-N 3.39Å; L301-G303 PolarHBondContact O-N 3.16Å; G303-L305 PolarHBondContact O-N 2.89Å; G303-L305 VanDerWaalsContact O-N 3.11Å; G303-I306 WeakPolarHBondContact O-CB 3.36Å; G303-I306 PolarHBondContact O-N 3.32Å
304P93.2Very high92.8Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-60-22.9-178.9-27.536.5000114.8Y184 L187 M188 L191 I306 N307 Y308 F690Y184-P304 HydrophobicContact CD1-CG 3.82Å; Y184-P304 HydrophobicContact CE1-CG 4.22Å; L187-P304 HydrophobicContact CD2-CB 4.43Å; L187-P304 HydrophobicContact CD2-CG 4.19Å; M188-P304 HydrophobicContact SD-CB 3.84Å; L191-P304 HydrophobicContact CD1-CB 4.11Å; P304-I306 PolarHBondContact O-N 3.3Å; P304-N307 WeakPolarHBondContact O-CB 3.33Å; P304-N307 PolarHBondContact O-N 2.86Å; P304-Y308 WeakPolarHBondContact O-CD2 3.11Å; P304-F690 HydrophobicContact CG-CD1 4.42Å; P304-F690 HydrophobicContact CG-CE1 4.43Å
305L95.3Very high93.1Very high2 Ų218.5 Ų18.51%0.0110%0.099CC..Hα-helixtrans-63.8-31.3176.8-78.671000111.7V140 I142 L187 L191 H302 G303 N307 Y308 Q309 I310 A312V140-L305 HydrophobicContact CG1-CD2 3.64Å; I142-L305 HydrophobicContact CD1-CD1 3.67Å; I142-L305 HydrophobicContact CD1-CD2 3.85Å; I142-L305 HydrophobicContact CD1-CG 4.4Å; L187-L305 HydrophobicContact CD1-CD1 4.12Å; L187-L305 HydrophobicContact CD2-CD1 3.94Å; L187-L305 HydrophobicContact CG-CD1 4.45Å; L191-L305 HydrophobicContact CD1-CD1 4.09Å; L191-L305 HydrophobicContact CD2-CG 4.4Å; H302-L305 WeakPolarHBondContact O-CB 3.38Å; H302-L305 PolarHBondContact O-N 2.8Å; G303-L305 PolarHBondContact O-N 2.89Å; G303-L305 VanDerWaalsContact O-N 3.11Å; L305-N307 VanDerWaalsContact C-N 3.27Å; L305-N307 PolarHBondContact O-N 3.24Å; L305-Y308 CarbonylContact O-C 3.55Å; L305-Y308 WeakPolarHBondContact O-CA 3.35Å; L305-Y308 PolarHBondContact O-N 3.2Å; L305-Q309 PolarHBondContact O-N 3.38Å; L305-I310 CarbonylContact C-O 3.53Å; L305-I310 HydrophobicContact CB-CB 4Å; L305-I310 HydrophobicContact CB-CG2 4.24Å; L305-I310 HydrophobicContact CD2-CG2 4.03Å; L305-I310 WeakPolarHBondContact O-CB 3.37Å; L305-I310 PolarHBondContact O-N 3.27Å; L305-A312 HydrophobicContact CB-CB 4Å; L305-A312 HydrophobicContact CD2-CB 3.76Å; L305-A312 HydrophobicContact CG-CB 4.49Å
306I93.2Very high93.4Very high17 Ų1719.6 Ų19.69%0.08710%0.095CC..Hα-helixtrans-65.6-32-179.5-61.1168.9000110.8L241 G303 P304 Y308 Q309L241-I306 HydrophobicContact CB-CG2 3.88Å; L241-I306 HydrophobicContact CD1-CG2 4.03Å; G303-I306 WeakPolarHBondContact O-CB 3.36Å; G303-I306 PolarHBondContact O-N 3.32Å; P304-I306 PolarHBondContact O-N 3.3Å; I306-Y308 VanDerWaalsContact C-N 3.25Å; I306-Y308 PolarHBondContact O-N 2.83Å; I306-Q309 PolarHBondContact O-N 3.45Å
307N91Very high93.3Very high65 Ų6519.9 Ų19.935%0.34810%0.098SC..Hα-helixtrans-63.1-31.2172.8-73.3-4.2000112.4P238 P304 L305 Q309 F690P238-N307 VanDerWaalsContact CG-OD1 3.26Å; P238-N307 WeakPolarHBondContact CG-OD1 3.46Å; P304-N307 WeakPolarHBondContact O-CB 3.33Å; P304-N307 PolarHBondContact O-N 2.86Å; L305-N307 VanDerWaalsContact C-N 3.27Å; L305-N307 PolarHBondContact O-N 3.24Å; N307-Q309 PolarHBondContact O-N 2.94Å; N307-F690 PolarHBondContact ND2-O 3.48Å; N307-F690 VanDerWaalsContact ND2-O 3.16Å
308Y92.3Very high92.6Very high37 Ų3720.7 Ų20.715%0.14510%0.1CC..THydrogen-bonded Turntrans-87.414.4174.8-65.4-86.5000113M188 L191 H195 N199 P304 L305 I306 I310M188-Y308 HydrophobicContact CE-CE2 4.38Å; M188-Y308 HydrophobicContact SD-CE2 4.4Å; L191-Y308 HydrophobicContact CB-CD2 4.18Å; L191-Y308 HydrophobicContact CB-CE2 3.64Å; L191-Y308 HydrophobicContact CD1-CD2 3.98Å; L191-Y308 HydrophobicContact CD1-CE2 3.85Å; L191-Y308 HydrophobicContact CD2-CD2 4.34Å; L191-Y308 HydrophobicContact CG-CD2 4.4Å; L191-Y308 HydrophobicContact CG-CE2 4.24Å; H195-Y308 HydrophobicContact CB-CD1 4.21Å; H195-Y308 HydrophobicContact CB-CE1 4.11Å; H195-Y308 AromaticContact CD2-CD1 3.32Å; H195-Y308 WeakPolarHBondContact CD2-CD1 3.25Å; H195-Y308 AromaticContact CD2-CE1 3.75Å; H195-Y308 AromaticContact CD2-CG 3.87Å; H195-Y308 AromaticContact CG-CD1 3.68Å; H195-Y308 AromaticContact NE2-CD1 3.79Å; H195-Y308 AromaticContact NE2-CG 3.96Å; N199-Y308 PolarHBondContact ND2-OH 2.89Å; N199-Y308 VanDerWaalsContact ND2-OH 3.1Å; P304-Y308 WeakPolarHBondContact O-CD2 3.11Å; L305-Y308 CarbonylContact O-C 3.55Å; L305-Y308 WeakPolarHBondContact O-CA 3.35Å; L305-Y308 PolarHBondContact O-N 3.2Å; I306-Y308 VanDerWaalsContact C-N 3.25Å; I306-Y308 PolarHBondContact O-N 2.83Å; Y308-I310 PolarHBondContact O-N 3.01Å
309Q92.3Very high91.4Very high147 Ų14725.5 Ų25.569%0.68712%0.121SC*.THydrogen-bonded Turntrans60.221.9-175.2-54.1-178.9-12.600114.4L305 I306 N307 P311L305-Q309 PolarHBondContact O-N 3.38Å; I306-Q309 PolarHBondContact O-N 3.45Å; N307-Q309 PolarHBondContact O-N 2.94Å; Q309-P311 WeakPolarHBondContact O-CD 3.26Å
310I94.8Very high90Very high4 Ų430.7 Ų30.72%0.02114%0.142CC..  trans-92.1113.6176.2-59.4161.4000108.1I215 L305 Y308 A312I215-I310 HydrophobicContact CB-CD1 3.8Å; I215-I310 HydrophobicContact CB-CG1 4.1Å; I215-I310 HydrophobicContact CB-CG2 4.37Å; I215-I310 HydrophobicContact CD1-CD1 3.96Å; I215-I310 HydrophobicContact CG1-CD1 4.4Å; I215-I310 HydrophobicContact CG2-CD1 4.07Å; I215-I310 HydrophobicContact CG2-CG1 4.3Å; I215-I310 HydrophobicContact CG2-CG2 3.66Å; L305-I310 CarbonylContact C-O 3.53Å; L305-I310 HydrophobicContact CB-CB 4Å; L305-I310 HydrophobicContact CB-CG2 4.24Å; L305-I310 HydrophobicContact CD2-CG2 4.03Å; L305-I310 WeakPolarHBondContact O-CB 3.37Å; L305-I310 PolarHBondContact O-N 3.27Å; Y308-I310 PolarHBondContact O-N 3.01Å; I310-A312 PolarHBondContact O-N 3.21Å
311P94.7Very high88.4Confident7 Ų739.5 Ų39.55%0.04518%0.183CC..  trans-66.8120.3176.3-6.820.3000109.5Q216 A217 G218 N244 L247 Q309 F352 W357Q216-P311 WeakPolarHBondContact O-CD 3.32Å; A217-P311 CarbonylContact C-O 3.59Å; A217-P311 WeakPolarHBondContact CA-O 3.48Å; A217-P311 WeakPolarHBondContact CB-O 3.32Å; G218-P311 PolarHBondContact N-O 3.04Å; N244-P311 HydrophobicContact CB-CB 4.47Å; L247-P311 HydrophobicContact CD2-CB 4.38Å; Q309-P311 WeakPolarHBondContact O-CD 3.26Å; P311-F352 HydrophobicContact CB-CB 4.38Å; P311-F352 HydrophobicContact CB-CD2 4.07Å; P311-F352 HydrophobicContact CB-CG 4.31Å; P311-F352 HydrophobicContact CG-CB 3.82Å; P311-F352 HydrophobicContact CG-CD2 3.74Å; P311-F352 HydrophobicContact CG-CG 4.06Å; P311-W357 HydrophobicContact CB-CH2 4.09Å; P311-W357 HydrophobicContact CG-CH2 4.08Å
312A96Very high87.1Confident0 Ų044 Ų440%020%0.2CC..EExtended strand (participates in β ladder)trans-145.4156.2-177.200000112.4G218 A243 H302 L305 I310G218-A312 WeakPolarHBondContact O-CA 3.18Å; G218-A312 WeakPolarHBondContact O-CB 3.45Å; A243-A312 WeakPolarHBondContact CB-O 3.06Å; H302-A312 HydrophobicContact CB-CB 3.82Å; H302-A312 PolarHBondContact CD2-O 2.77Å; L305-A312 HydrophobicContact CB-CB 4Å; L305-A312 HydrophobicContact CD2-CB 3.76Å; L305-A312 HydrophobicContact CG-CB 4.49Å; I310-A312 PolarHBondContact O-N 3.21Å
313I96.6Very high85.3Confident0 Ų050.3 Ų50.30%024%0.244CC..EExtended strand (participates in β ladder)trans-136.8153.8176.151169.4000111.3G218 L219 S220 I233 A243 L247 V248 V251 L315G218-I313 PolarHBondContact O-N 2.87Å; L219-I313 HydrophobicContact CD1-CD1 4.13Å; L219-I313 HydrophobicContact CD1-CG1 3.92Å; S220-I313 PolarHBondContact N-O 2.81Å; I233-I313 HydrophobicContact CG2-CD1 4.4Å; A243-I313 HydrophobicContact CB-CG2 3.37Å; L247-I313 HydrophobicContact CD1-CD1 4.24Å; L247-I313 HydrophobicContact CD1-CG1 4.48Å; L247-I313 HydrophobicContact CD2-CG1 4.13Å; L247-I313 HydrophobicContact CD2-CG2 4.09Å; L247-I313 HydrophobicContact CG-CD1 4Å; L247-I313 HydrophobicContact CG-CG1 4.05Å; L247-I313 HydrophobicContact CG-CG2 4.14Å; V248-I313 HydrophobicContact CG2-CG2 4.08Å; V251-I313 HydrophobicContact CG2-CD1 3.38Å; I313-L315 HydrophobicContact CD1-CD2 4.17Å
314T96.7Very high84Confident0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-102134.5168.6-69.80000110.4S220 E222 L234 L301 H302S220-T314 VanDerWaalsContact CB-OG1 3.24Å; S220-T314 WeakPolarHBondContact CB-OG1 3.39Å; S220-T314 CarbonylContact O-C 3.55Å; S220-T314 WeakPolarHBondContact O-CA 3.38Å; S220-T314 PolarHBondContact OG-OG1 2.97Å; E222-T314 HydrophobicContact CB-CG2 4.43Å; E222-T314 VanDerWaalsContact CD-CG2 3.46Å; E222-T314 HydrophobicContact CG-CG2 3.9Å; E222-T314 WeakPolarHBondContact OE1-CG2 3.33Å; L234-T314 HydrophobicContact CB-CG2 4.48Å; L234-T314 HydrophobicContact CD1-CG2 4.09Å; L234-T314 PolarHBondContact N-O 3.29Å; L234-T314 PolarHBondContact O-N 3.15Å; L301-T314 PolarHBondContact N-OG1 2.96Å; H302-T314 PolarHBondContact N-OG1 3Å; H302-T314 WeakPolarHBondContact ND1-CB 3.46Å; H302-T314 PolarHBondContact ND1-N 3.02Å; H302-T314 PolarHBondContact ND1-OG1 3.31Å
315L96.5Very high83.1Confident0 Ų059.6 Ų59.60%030%0.3CS..EExtended strand (participates in β ladder)trans-108.3115.5170.2-58.8-172.9000109.9L219 S220 L221 E222 F223 I231 I233 V251 I313 L338 I341L219-L315 HydrophobicContact CD1-CD1 3.83Å; L219-L315 HydrophobicContact CD1-CG 3.89Å; S220-L315 PolarHBondContact O-N 3.04Å; L221-L315 HydrophobicContact CD2-CB 4.1Å; L221-L315 HydrophobicContact CD2-CD1 4.1Å; L221-L315 HydrophobicContact CD2-CG 4.39Å; E222-L315 PolarHBondContact N-O 3.33Å; F223-L315 HydrophobicContact CE1-CB 3.81Å; F223-L315 VanDerWaalsContact CE1-O 3.23Å; F223-L315 WeakPolarHBondContact CE1-O 3.38Å; F223-L315 HydrophobicContact CZ-CB 3.69Å; F223-L315 HydrophobicContact CZ-CD1 4.36Å; I231-L315 HydrophobicContact CG2-CB 3.87Å; I231-L315 HydrophobicContact CG2-CD1 4.44Å; I231-L315 HydrophobicContact CG2-CD2 4.04Å; I231-L315 HydrophobicContact CG2-CG 4.34Å; I233-L315 HydrophobicContact CB-CD2 4.31Å; I233-L315 HydrophobicContact CG1-CD2 3.89Å; I233-L315 HydrophobicContact CG2-CD2 4.11Å; V251-L315 HydrophobicContact CG1-CD1 4.41Å; V251-L315 HydrophobicContact CG1-CD2 3.91Å; V251-L315 HydrophobicContact CG2-CD2 4.34Å; I313-L315 HydrophobicContact CD1-CD2 4.17Å; L315-L338 HydrophobicContact CD1-CD2 4.17Å; L315-I341 HydrophobicContact CD1-CD1 4.21Å
316R93.7Very high82.3Confident73 Ų7360.7 Ų60.728%0.27531%0.308SS..EExtended strand (participates in β ladder)trans-113.6133.6-176.5-177.1176.3-72.7152.75.1110.7E222 D232 L234 T299E222-R316 HydrophobicContact CB-CB 4.25Å; E222-R316 HydrophobicContact CB-CG 4.32Å; E222-R316 IonicContact OE1-NH2 3.06Å; E222-R316 IonicContact OE2-CZ 3.58Å; E222-R316 IonicContact OE2-NE 3.45Å; E222-R316 PolarHBondContact OE2-NE 3.38Å; E222-R316 IonicContact OE2-NH2 3.78Å; E222-R316 PolarHBondContact OE2-NH2 2.92Å; D232-R316 PolarHBondContact N-O 2.88Å; D232-R316 PolarHBondContact O-N 2.83Å; L234-R316 HydrophobicContact CD1-CB 3.88Å; T299-R316 PolarHBondContact O-NH1 3.4Å; T299-R316 PolarHBondContact O-NH2 3.49Å
317A88.2Confident81.9Confident10 Ų1066.7 Ų66.78%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-84.3141.1178.100000111.9E222 F223 Q228 Q319E222-A317 PolarHBondContact O-N 3.47Å; F223-A317 HydrophobicContact CB-CB 4.28Å; F223-A317 HydrophobicContact CD1-CB 3.64Å; F223-A317 HydrophobicContact CE1-CB 4.43Å; F223-A317 HydrophobicContact CG-CB 4.32Å; Q228-A317 HydrophobicContact CB-CB 4.3Å; Q228-A317 HydrophobicContact CG-CB 3.76Å; A317-Q319 PolarHBondContact O-N 2.83Å
318E73.8Confident81.8Confident41 Ų4167.4 Ų67.419%0.19234%0.339CS..  trans-61.3124.7170.2179.7175.4-168.300110.9S229 A230 R263 K320S229-E318 VanDerWaalsContact OG-CD 3.25Å; S229-E318 PolarHBondContact OG-OE2 2.95Å; A230-E318 PolarHBondContact O-N 3Å; R263-E318 IonicContact CZ-OE2 2.67Å; R263-E318 IonicContact NH1-OE1 3.28Å; R263-E318 IonicContact NH1-OE2 3.12Å; R263-E318 PolarHBondContact NH1-OE2 3.47Å; R263-E318 IonicContact NH2-OE1 3.67Å; R263-E318 IonicContact NH2-OE2 3.36Å; R263-E318 PolarHBondContact NH2-OE2 2.9Å; E318-K320 HydrophobicContact CG-CB 4.48Å; E318-K320 HydrophobicContact CG-CD 4.35Å; E318-K320 HydrophobicContact CG-CG 4.19Å; E318-K320 PolarHBondContact O-N 3.08Å; E318-K320 VanDerWaalsContact OE1-CD 3.28Å; E318-K320 WeakPolarHBondContact OE1-CD 3.48Å; E318-K320 WeakPolarHBondContact OE1-CE 3.33Å; E318-K320 IonicContact OE1-NZ 3.72Å; E318-K320 PolarHBondContact OE1-NZ 2.55Å
319Q66.5Low81.8Confident104 Ų10468.7 Ų68.749%0.48635%0.354SS..  trans-78.922.8-167.9-58.2177.521.600114.6A317 Q321A317-Q319 PolarHBondContact O-N 2.83Å; Q319-Q321 PolarHBondContact O-N 2.94Å
320K62.7Low81.7Confident132 Ų13263.4 Ų63.457%0.57433%0.329SS*.  trans-7099.8177-81.3178.8177.9144.40110.1E318 R322E318-K320 HydrophobicContact CG-CB 4.48Å; E318-K320 HydrophobicContact CG-CD 4.35Å; E318-K320 HydrophobicContact CG-CG 4.19Å; E318-K320 PolarHBondContact O-N 3.08Å; E318-K320 VanDerWaalsContact OE1-CD 3.28Å; E318-K320 WeakPolarHBondContact OE1-CD 3.48Å; E318-K320 WeakPolarHBondContact OE1-CE 3.33Å; E318-K320 IonicContact OE1-NZ 3.72Å; E318-K320 PolarHBondContact OE1-NZ 2.55Å; K320-R322 PolarHBondContact O-N 3.45Å; K320-R322 VanDerWaalsContact O-N 3.13Å
321Q57.3Low81.6Confident187 Ų18763.2 Ų63.287%0.87433%0.328SS*.  trans-58.9115.9171.1-69.3-172.2000109.6Q319Q319-Q321 PolarHBondContact O-N 2.94Å
322R66.4Low81.6Confident98 Ų9865 Ų6537%0.3734%0.337SS..  trans-103.3123.9172.3-168.7176.9176.5-177.2-4.3107.4Y227 K320 T324 E330Y227-R322 HydrophobicContact CD1-CB 4.01Å; Y227-R322 HydrophobicContact CE1-CB 4.16Å; Y227-R322 PolarHBondContact OH-NH1 2.94Å; K320-R322 PolarHBondContact O-N 3.45Å; K320-R322 VanDerWaalsContact O-N 3.13Å; R322-T324 WeakPolarHBondContact CG-OG1 3.37Å; R322-T324 PolarHBondContact NE-OG1 3.46Å; R322-T324 PolarHBondContact O-N 2.99Å; R322-E330 IonicContact NH1-OE1 2.8Å; R322-E330 PolarHBondContact NH1-OE1 2.97Å; R322-E330 IonicContact NH1-OE2 2.76Å
323S57.2Low81.4Confident132 Ų13266.7 Ų66.792%0.92335%0.349SS*.SBendtrans-75.6-10.3-177.6430000114
324T66.4Low81.3Confident76 Ų7666.8 Ų66.847%0.46635%0.349SS..SBendtrans-93141.4172.461.80000111.1R322R322-T324 WeakPolarHBondContact CG-OG1 3.37Å; R322-T324 PolarHBondContact NE-OG1 3.46Å; R322-T324 PolarHBondContact O-N 2.99Å
325V74.2Confident81.3Confident119 Ų11966.8 Ų66.872%0.72135%0.349SS*.PPolyproline II helixtrans-50.9137.8171.1-173.80000110.5
326P78Confident81.2Confident26 Ų2670.5 Ų70.517%0.16936%0.363CS..PPolyproline II helixtrans-55.7145.7171.720.1-31.9000111.9L226 Y227 I331L226-P326 HydrophobicContact CB-CG 4.02Å; Y227-P326 HydrophobicContact CD2-CB 4.4Å; P326-I331 HydrophobicContact CB-CD1 4.17Å; P326-I331 HydrophobicContact CB-CG1 4.02Å; P326-I331 HydrophobicContact CG-CD1 4.01Å; P326-I331 HydrophobicContact CG-CG1 4.31Å
327R85.1Confident81.2Confident143 Ų14367 Ų6754%0.5435%0.35SS..PPolyproline II helixtrans-72.3147.6169.9-58.5-178.9177114.6-17.1109.7S329 E330 I331R327-S329 PolarHBondContact O-N 3.37Å; R327-E330 HydrophobicContact CB-CB 4.37Å; R327-E330 HydrophobicContact CB-CG 3.91Å; R327-E330 WeakPolarHBondContact CD-OE1 3.26Å; R327-E330 HydrophobicContact CG-CG 4.42Å; R327-E330 IonicContact CZ-OE1 3.36Å; R327-E330 PolarHBondContact N-OE2 2.7Å; R327-E330 IonicContact NE-OE1 3.23Å; R327-E330 IonicContact NH1-OE1 2.71Å; R327-E330 PolarHBondContact NH1-OE1 3.31Å; R327-E330 WeakPolarHBondContact O-CB 3.42Å; R327-E330 PolarHBondContact O-N 3.25Å; R327-I331 PolarHBondContact O-N 3.39Å
328S89.5Confident81.6Confident79 Ų7966.6 Ų66.655%0.55235%0.346SS*.Hα-helixtrans-56.6-37.2175.149.70000112.7E330 I331 L332S328-E330 VanDerWaalsContact C-N 3.34Å; S328-E330 PolarHBondContact O-N 3.36Å; S328-I331 PolarHBondContact O-N 2.91Å; S328-L332 VanDerWaalsContact O-CB 3.24Å; S328-L332 WeakPolarHBondContact O-CB 3.36Å; S328-L332 PolarHBondContact O-N 3.28Å
329S90.4Very high82.6Confident64 Ų6464.6 Ų64.645%0.44834%0.337SS..Hα-helixtrans-62.6-35.2173.961.10000113.9R327 L332 S333R327-S329 PolarHBondContact O-N 3.37Å; S329-L332 PolarHBondContact O-N 2.86Å; S329-S333 PolarHBondContact O-N 3.21Å; S329-S333 PolarHBondContact O-OG 3.09Å
330E90.1Very high84Confident37 Ų3759.8 Ų59.817%0.17332%0.315CS..Hα-helixtrans-70.6-39.6179.6-65.9162.417500110Y227 R322 R327 S328Y227-E330 WeakPolarHBondContact CD2-OE2 3.22Å; Y227-E330 WeakPolarHBondContact CE2-OE2 3.49Å; R322-E330 IonicContact NH1-OE1 2.8Å; R322-E330 PolarHBondContact NH1-OE1 2.97Å; R322-E330 IonicContact NH1-OE2 2.76Å; R327-E330 HydrophobicContact CB-CB 4.37Å; R327-E330 HydrophobicContact CB-CG 3.91Å; R327-E330 WeakPolarHBondContact CD-OE1 3.26Å; R327-E330 HydrophobicContact CG-CG 4.42Å; R327-E330 IonicContact CZ-OE1 3.36Å; R327-E330 PolarHBondContact N-OE2 2.7Å; R327-E330 IonicContact NE-OE1 3.23Å; R327-E330 IonicContact NH1-OE1 2.71Å; R327-E330 PolarHBondContact NH1-OE1 3.31Å; R327-E330 WeakPolarHBondContact O-CB 3.42Å; R327-E330 PolarHBondContact O-N 3.25Å; S328-E330 VanDerWaalsContact C-N 3.34Å; S328-E330 PolarHBondContact O-N 3.36Å
331I93.1Very high85.5Confident0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-65.9-43.6172.8-56171.1000110.6V64 I68 Y157 L226 P326 R327 S328 V334 T335V64-I331 HydrophobicContact CG1-CB 4.01Å; V64-I331 HydrophobicContact CG1-CD1 3.8Å; V64-I331 HydrophobicContact CG1-CG1 4.48Å; V64-I331 HydrophobicContact CG1-CG2 4.06Å; V64-I331 HydrophobicContact CG2-CG2 4.46Å; I68-I331 HydrophobicContact CD1-CD1 3.95Å; I68-I331 HydrophobicContact CG1-CD1 3.75Å; Y157-I331 HydrophobicContact CE1-CG2 3.81Å; L226-I331 HydrophobicContact CB-CD1 4.48Å; L226-I331 HydrophobicContact CB-CG1 4.46Å; L226-I331 HydrophobicContact CD1-CD1 4.23Å; P326-I331 HydrophobicContact CB-CD1 4.17Å; P326-I331 HydrophobicContact CB-CG1 4.02Å; P326-I331 HydrophobicContact CG-CD1 4.01Å; P326-I331 HydrophobicContact CG-CG1 4.31Å; R327-I331 PolarHBondContact O-N 3.39Å; S328-I331 PolarHBondContact O-N 2.91Å; I331-V334 PolarHBondContact O-N 3.13Å; I331-T335 PolarHBondContact O-N 3.28Å; I331-T335 PolarHBondContact O-OG1 2.78Å
332L94.4Very high87.3Confident44 Ų4444.8 Ų44.823%0.2325%0.248CC..Hα-helixtrans-62.9-42.4-177.5-174.564.1000113.2F61 V64 S328 S329 V334 T335 R336F61-L332 HydrophobicContact CD1-CD1 4.04Å; F61-L332 WeakPolarHBondContact O-CD1 3.11Å; V64-L332 HydrophobicContact CG2-CB 4.03Å; V64-L332 HydrophobicContact CG2-CD1 4.12Å; S328-L332 VanDerWaalsContact O-CB 3.24Å; S328-L332 WeakPolarHBondContact O-CB 3.36Å; S328-L332 PolarHBondContact O-N 3.28Å; S329-L332 PolarHBondContact O-N 2.86Å; L332-V334 PolarHBondContact O-N 3.17Å; L332-T335 PolarHBondContact O-OG1 2.87Å; L332-T335 VanDerWaalsContact O-OG1 3.11Å; L332-R336 HydrophobicContact CD1-CG 4.44Å; L332-R336 WeakPolarHBondContact O-CB 3.26Å; L332-R336 VanDerWaalsContact O-CG 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 3.44Å
333S93.6Very high88.6Confident35 Ų3540.4 Ų40.425%0.24523%0.231CC..Hα-helixtrans-59.8-36174-77.90000112.2H258 S329 L337H258-S333 VanDerWaalsContact O-CB 3.28Å; H258-S333 WeakPolarHBondContact O-CB 3.5Å; H258-S333 PolarHBondContact O-OG 3.33Å; S329-S333 PolarHBondContact O-N 3.21Å; S329-S333 PolarHBondContact O-OG 3.09Å; S333-L337 VanDerWaalsContact O-CB 3.25Å; S333-L337 WeakPolarHBondContact O-CB 3.35Å; S333-L337 PolarHBondContact O-N 2.87Å
334V94.6Very high90.4Very high3 Ų334.2 Ų34.22%0.01819%0.188CC..Hα-helixtrans-81.5-36.2-178.1173.90000112.5Y157 F223 I231 V260 I331 L332 L338Y157-V334 HydrophobicContact CE1-CB 4.46Å; Y157-V334 HydrophobicContact CE1-CG1 4.15Å; Y157-V334 HydrophobicContact CE2-CG1 4.12Å; F223-V334 HydrophobicContact CE2-CG1 4.32Å; I231-V334 HydrophobicContact CD1-CG1 4.32Å; I231-V334 HydrophobicContact CD1-CG2 4.33Å; V260-V334 HydrophobicContact CG1-CG2 4.37Å; V260-V334 HydrophobicContact CG2-CG2 4.08Å; I331-V334 PolarHBondContact O-N 3.13Å; L332-V334 PolarHBondContact O-N 3.17Å; V334-L338 HydrophobicContact CG1-CD1 4.37Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.17Å; V334-L338 PolarHBondContact O-N 3Å; V334-L338 VanDerWaalsContact O-N 3.09Å
335T94.8Very high91.7Very high0 Ų030.9 Ų30.90%017%0.167CC..Hα-helixtrans-65.2-41.6171.146.20000112F61 Y157 I331 L332 L338 E339F61-T335 HydrophobicContact CD1-CG2 3.98Å; F61-T335 WeakPolarHBondContact CD1-OG1 3.07Å; F61-T335 HydrophobicContact CD2-CG2 4.21Å; F61-T335 HydrophobicContact CE1-CG2 3.67Å; F61-T335 WeakPolarHBondContact CE1-OG1 3.37Å; F61-T335 HydrophobicContact CE2-CG2 3.91Å; F61-T335 HydrophobicContact CG-CG2 4.25Å; F61-T335 WeakPolarHBondContact CG-OG1 3.45Å; F61-T335 HydrophobicContact CZ-CG2 3.64Å; Y157-T335 HydrophobicContact CD1-CG2 3.46Å; Y157-T335 VanDerWaalsContact CD1-CG2 3.46Å; Y157-T335 HydrophobicContact CE1-CG2 3.77Å; I331-T335 PolarHBondContact O-N 3.28Å; I331-T335 PolarHBondContact O-OG1 2.78Å; L332-T335 PolarHBondContact O-OG1 2.87Å; L332-T335 VanDerWaalsContact O-OG1 3.11Å; T335-L338 PolarHBondContact O-N 3.23Å; T335-E339 WeakPolarHBondContact O-CB 3.4Å; T335-E339 PolarHBondContact O-N 2.85Å
336R94.7Very high92.5Very high77 Ų7725.7 Ų25.729%0.29114%0.135SC..Hα-helixtrans-66.8-40.5176.3-70179.5179-166.2-5.4112.4E59 F61 L332 L338 E339 G340E59-R336 HydrophobicContact CB-CB 3.85Å; E59-R336 HydrophobicContact CB-CG 3.87Å; E59-R336 HydrophobicContact CG-CB 4.39Å; E59-R336 WeakPolarHBondContact CG-O 3.47Å; F61-R336 HydrophobicContact CB-CG 4.26Å; F61-R336 VanDerWaalsContact O-CZ 3.32Å; F61-R336 PolarHBondContact O-NE 2.86Å; F61-R336 PolarHBondContact O-NH2 3.44Å; L332-R336 HydrophobicContact CD1-CG 4.44Å; L332-R336 WeakPolarHBondContact O-CB 3.26Å; L332-R336 VanDerWaalsContact O-CG 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 3.44Å; R336-L338 VanDerWaalsContact C-N 3.31Å; R336-L338 PolarHBondContact O-N 2.94Å; R336-E339 PolarHBondContact O-N 3.02Å; R336-G340 PolarHBondContact O-N 3.21Å
337L95.3Very high93.2Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-53.9-47.8170.2173.956.4000111.9I231 L254 A255 V260 S333 G340 I341I231-L337 HydrophobicContact CD1-CD2 3.73Å; L254-L337 HydrophobicContact CB-CD1 3.48Å; L254-L337 VanDerWaalsContact CB-CD1 3.48Å; A255-L337 HydrophobicContact CB-CD1 3.97Å; A255-L337 HydrophobicContact CB-CD2 3.82Å; V260-L337 HydrophobicContact CB-CD2 4.14Å; V260-L337 HydrophobicContact CG1-CD2 4.07Å; V260-L337 HydrophobicContact CG2-CD2 4.19Å; S333-L337 VanDerWaalsContact O-CB 3.25Å; S333-L337 WeakPolarHBondContact O-CB 3.35Å; S333-L337 PolarHBondContact O-N 2.87Å; L337-G340 PolarHBondContact O-N 3.36Å; L337-I341 HydrophobicContact CD1-CD1 3.71Å; L337-I341 HydrophobicContact CD1-CG1 4.09Å; L337-I341 HydrophobicContact CG-CD1 3.86Å; L337-I341 WeakPolarHBondContact O-CD1 3.42Å; L337-I341 WeakPolarHBondContact O-CG1 3.31Å; L337-I341 PolarHBondContact O-N 3.1Å
338L95.8Very high93.4Very high1 Ų120.1 Ų20.11%0.00512%0.115CC..Hα-helixtrans-66.6-40.8178.7-67.3170.4000112.8Y157 L161 L219 L221 F223 L315 V334 T335 R336 I341 L342Y157-L338 HydrophobicContact CG-CD1 4.21Å; L161-L338 HydrophobicContact CD1-CB 3.57Å; L161-L338 HydrophobicContact CD1-CD1 3.7Å; L161-L338 HydrophobicContact CD1-CG 4.29Å; L219-L338 HydrophobicContact CD2-CD2 4.03Å; L221-L338 HydrophobicContact CD1-CD1 4.29Å; L221-L338 HydrophobicContact CD1-CD2 4.26Å; L221-L338 HydrophobicContact CD2-CD2 3.69Å; F223-L338 HydrophobicContact CE2-CD1 4.29Å; F223-L338 HydrophobicContact CE2-CD2 4.48Å; L315-L338 HydrophobicContact CD1-CD2 4.17Å; V334-L338 HydrophobicContact CG1-CD1 4.37Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.17Å; V334-L338 PolarHBondContact O-N 3Å; V334-L338 VanDerWaalsContact O-N 3.09Å; T335-L338 PolarHBondContact O-N 3.23Å; R336-L338 VanDerWaalsContact C-N 3.31Å; R336-L338 PolarHBondContact O-N 2.94Å; L338-I341 PolarHBondContact O-N 3.19Å; L338-L342 WeakPolarHBondContact O-CB 3.48Å; L338-L342 WeakPolarHBondContact O-CD1 3.42Å; L338-L342 WeakPolarHBondContact O-CG 3.33Å; L338-L342 PolarHBondContact O-N 3.14Å; L338-L342 VanDerWaalsContact O-N 3.09Å
339E95.3Very high93.1Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-59.1-48.4172.6179.4176.2-174.200111.3E59 I60 F61 L161 F165 T335 R336 I341 L342 R343E59-E339 HydrophobicContact CB-CB 4.35Å; E59-E339 HydrophobicContact CB-CG 4.12Å; E59-E339 WeakPolarHBondContact CB-OE2 3.48Å; E59-E339 HydrophobicContact CG-CB 4.3Å; E59-E339 HydrophobicContact CG-CG 4.18Å; I60-E339 VanDerWaalsContact N-CD 3.26Å; I60-E339 PolarHBondContact N-OE1 2.92Å; I60-E339 PolarHBondContact N-OE2 3.19Å; F61-E339 VanDerWaalsContact CB-OE2 3.28Å; F61-E339 WeakPolarHBondContact CB-OE2 3.41Å; F61-E339 PolarHBondContact N-OE2 3.36Å; L161-E339 HydrophobicContact CD2-CB 4.38Å; F165-E339 HydrophobicContact CE1-CB 4.25Å; F165-E339 HydrophobicContact CE1-CG 4.11Å; T335-E339 WeakPolarHBondContact O-CB 3.4Å; T335-E339 PolarHBondContact O-N 2.85Å; R336-E339 PolarHBondContact O-N 3.02Å; E339-I341 PolarHBondContact O-N 3.14Å; E339-L342 PolarHBondContact O-N 3.09Å; E339-R343 WeakPolarHBondContact O-CB 3.47Å; E339-R343 WeakPolarHBondContact O-CG 3.21Å; E339-R343 PolarHBondContact O-N 3.25Å; E339-R343 IonicContact OE1-CZ 3.07Å; E339-R343 IonicContact OE1-NH1 3.13Å; E339-R343 PolarHBondContact OE1-NH1 3.17Å; E339-R343 VanDerWaalsContact OE1-NH1 3.13Å; E339-R343 IonicContact OE1-NH2 2.64Å; E339-R343 PolarHBondContact OE1-NH2 2.86Å
340G94.8Very high92.8Very high2 Ų227.7 Ų27.72%0.02113%0.134CC..Hα-helixtrans-62.9-40.9179.100000113.2L254 R336 L337 S344L254-G340 VanDerWaalsContact CD1-C 3.43Å; R336-G340 PolarHBondContact O-N 3.21Å; L337-G340 PolarHBondContact O-N 3.36Å; G340-S344 WeakPolarHBondContact O-CB 3.4Å; G340-S344 PolarHBondContact O-N 2.84Å; G340-S344 PolarHBondContact O-OG 2.83Å
341I95.6Very high92.5Very high0 Ų031.7 Ų31.70%015%0.148CC..Hα-helixtrans-61.8-53175.9-69.2159000109.6L219 V251 L254 L315 L337 L338 E339 R343 S344 I345L219-I341 HydrophobicContact CD2-CG2 4.18Å; V251-I341 HydrophobicContact CB-CD1 4.31Å; V251-I341 HydrophobicContact CG1-CD1 4.09Å; V251-I341 HydrophobicContact CG2-CD1 3.76Å; V251-I341 HydrophobicContact CG2-CG1 4.05Å; L254-I341 HydrophobicContact CD1-CB 4.31Å; L254-I341 HydrophobicContact CD1-CG1 3.69Å; L315-I341 HydrophobicContact CD1-CD1 4.21Å; L337-I341 HydrophobicContact CD1-CD1 3.71Å; L337-I341 HydrophobicContact CD1-CG1 4.09Å; L337-I341 HydrophobicContact CG-CD1 3.86Å; L337-I341 WeakPolarHBondContact O-CD1 3.42Å; L337-I341 WeakPolarHBondContact O-CG1 3.31Å; L337-I341 PolarHBondContact O-N 3.1Å; L338-I341 PolarHBondContact O-N 3.19Å; E339-I341 PolarHBondContact O-N 3.14Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 3.41Å; I341-S344 PolarHBondContact O-N 3.43Å; I341-I345 HydrophobicContact CG2-CD1 3.75Å; I341-I345 VanDerWaalsContact O-CG1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.4Å; I341-I345 PolarHBondContact O-N 3.37Å
342L95Very high92Very high5 Ų532.6 Ų32.63%0.02615%0.152CC..Hα-helixtrans-66-35.1-175.9-69.1166.5000112.2I141 F165 W171 L219 L338 E339 N346I141-L342 HydrophobicContact CD1-CD1 3.52Å; I141-L342 HydrophobicContact CD1-CD2 3.86Å; I141-L342 HydrophobicContact CD1-CG 4.36Å; I141-L342 HydrophobicContact CG1-CD1 4.34Å; I141-L342 HydrophobicContact CG1-CD2 3.91Å; F165-L342 HydrophobicContact CE2-CD1 3.6Å; F165-L342 HydrophobicContact CZ-CD1 3.79Å; W171-L342 HydrophobicContact CH2-CB 3.89Å; W171-L342 HydrophobicContact CZ3-CB 4.21Å; L219-L342 HydrophobicContact CD2-CD2 4.17Å; L219-L342 HydrophobicContact CD2-CG 4.31Å; L338-L342 WeakPolarHBondContact O-CB 3.48Å; L338-L342 WeakPolarHBondContact O-CD1 3.42Å; L338-L342 WeakPolarHBondContact O-CG 3.33Å; L338-L342 PolarHBondContact O-N 3.14Å; L338-L342 VanDerWaalsContact O-N 3.09Å; E339-L342 PolarHBondContact O-N 3.09Å; L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.12Å; L342-N346 PolarHBondContact O-N 3.47Å
343R93.2Very high91.4Very high5 Ų535.9 Ų35.92%0.01917%0.166CC..Hα-helixtrans-67.8-43.6171.8-75.2-160-175.31357.2113.1N58 Q168 H170 W171 E339 I341 I345 N346 N347N58-R343 PolarHBondContact O-NH1 3.18Å; Q168-R343 VanDerWaalsContact CD-NH2 3.28Å; H170-R343 PolarHBondContact CE1-NE 2.98Å; H170-R343 PolarHBondContact CE1-NH2 2.71Å; H170-R343 PolarHBondContact NE2-NE 3.36Å; H170-R343 PolarHBondContact NE2-NH2 3.01Å; W171-R343 HydrophobicContact CH2-CG 3.66Å; W171-R343 HydrophobicContact CZ2-CG 4.04Å; W171-R343 HydrophobicContact CZ3-CG 4.32Å; E339-R343 WeakPolarHBondContact O-CB 3.47Å; E339-R343 WeakPolarHBondContact O-CG 3.21Å; E339-R343 PolarHBondContact O-N 3.25Å; E339-R343 IonicContact OE1-CZ 3.07Å; E339-R343 IonicContact OE1-NH1 3.13Å; E339-R343 PolarHBondContact OE1-NH1 3.17Å; E339-R343 VanDerWaalsContact OE1-NH1 3.13Å; E339-R343 IonicContact OE1-NH2 2.64Å; E339-R343 PolarHBondContact OE1-NH2 2.86Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 3.41Å; R343-I345 PolarHBondContact O-N 3.45Å; R343-N346 PolarHBondContact O-N 3.48Å; R343-N346 VanDerWaalsContact O-N 3.12Å; R343-N347 PolarHBondContact O-N 3.35Å; R343-N347 PolarHBondContact O-ND2 3.01Å; R343-N347 PolarHBondContact O-OD1 3.14Å
344S93.7Very high90.5Very high3 Ų338 Ų382%0.02117%0.172CC..Hα-helixtrans-57.3-40.1177.1-57.20000111.1L52 G340 I341L52-S344 VanDerWaalsContact O-CA 3.26Å; L52-S344 WeakPolarHBondContact O-CA 3.46Å; L52-S344 WeakPolarHBondContact O-CB 3.45Å; G340-S344 WeakPolarHBondContact O-CB 3.4Å; G340-S344 PolarHBondContact O-N 2.84Å; G340-S344 PolarHBondContact O-OG 2.83Å; I341-S344 PolarHBondContact O-N 3.43Å
345I93.8Very high90.2Very high5 Ų539 Ų393%0.02618%0.179CC..Hα-helixtrans-73.8-38.3176.1-60.5166.6000111.9L139 A217 L247 I341 R343 N347 L348 F352L139-I345 HydrophobicContact CD1-CB 4.49Å; L139-I345 HydrophobicContact CD1-CG2 4.21Å; L139-I345 HydrophobicContact CD2-CG2 3.51Å; A217-I345 HydrophobicContact CB-CG2 3.62Å; L247-I345 HydrophobicContact CD1-CD1 3.61Å; L247-I345 HydrophobicContact CD1-CG1 4.12Å; I341-I345 HydrophobicContact CG2-CD1 3.75Å; I341-I345 VanDerWaalsContact O-CG1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.4Å; I341-I345 PolarHBondContact O-N 3.37Å; R343-I345 PolarHBondContact O-N 3.45Å; I345-N347 PolarHBondContact O-N 3.39Å; I345-L348 WeakPolarHBondContact O-CB 3.47Å; I345-L348 PolarHBondContact O-N 2.86Å; I345-F352 HydrophobicContact CG2-CE2 4.46Å
346N92.6Very high89.9Confident10 Ų1041.9 Ų41.95%0.05319%0.192CC..Hα-helixtrans-59.9-33.8176.3170.585.8000112.7L139 H170 W171 A172 K173 L342 R343 L348L139-N346 HydrophobicContact CD1-CB 4.26Å; H170-N346 PolarHBondContact O-ND2 2.96Å; H170-N346 VanDerWaalsContact O-ND2 3.14Å; W171-N346 HydrophobicContact CE3-CB 3.89Å; W171-N346 HydrophobicContact CZ3-CB 3.75Å; A172-N346 PolarHBondContact N-OD1 3.07Å; K173-N346 PolarHBondContact N-OD1 2.76Å; K173-N346 PolarHBondContact NZ-O 3.27Å; L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.12Å; L342-N346 PolarHBondContact O-N 3.47Å; R343-N346 PolarHBondContact O-N 3.48Å; R343-N346 VanDerWaalsContact O-N 3.12Å; N346-L348 VanDerWaalsContact C-N 3.3Å; N346-L348 PolarHBondContact O-N 3.1Å
347N91.2Very high89.7Confident46 Ų4642.2 Ų42.225%0.24619%0.193CC..THydrogen-bonded Turntrans-65.5-26.5179-64.1-20.1000113.9A51 R343 I345 Q349A51-N347 WeakPolarHBondContact O-CB 3.42Å; R343-N347 PolarHBondContact O-N 3.35Å; R343-N347 PolarHBondContact O-ND2 3.01Å; R343-N347 PolarHBondContact O-OD1 3.14Å; I345-N347 PolarHBondContact O-N 3.39Å; N347-Q349 PolarHBondContact O-N 3.13Å
348L89.2Confident89.6Confident7 Ų747.4 Ų47.44%0.03721%0.213CC..  trans-63.5117178-72.2176.7000110.8E49 A51 L52 K173 I345 N346 E350 F352E49-L348 HydrophobicContact CG-CD2 3.65Å; A51-L348 HydrophobicContact CB-CD2 3.93Å; L52-L348 HydrophobicContact CD2-CD1 3.76Å; L52-L348 HydrophobicContact CD2-CD2 4.17Å; L52-L348 HydrophobicContact CD2-CG 3.92Å; L52-L348 HydrophobicContact CG-CD1 4.42Å; L52-L348 HydrophobicContact CG-CD2 4Å; L52-L348 HydrophobicContact CG-CG 4.32Å; K173-L348 VanDerWaalsContact CE-O 3.3Å; K173-L348 WeakPolarHBondContact CE-O 3.41Å; K173-L348 PolarHBondContact NZ-O 3.1Å; I345-L348 WeakPolarHBondContact O-CB 3.47Å; I345-L348 PolarHBondContact O-N 2.86Å; N346-L348 VanDerWaalsContact C-N 3.3Å; N346-L348 PolarHBondContact O-N 3.1Å; L348-E350 VanDerWaalsContact C-N 3.33Å; L348-F352 HydrophobicContact CD1-CD1 4.37Å; L348-F352 HydrophobicContact CD1-CD2 3.72Å; L348-F352 HydrophobicContact CD1-CE1 4.01Å; L348-F352 HydrophobicContact CD1-CE2 3.32Å; L348-F352 HydrophobicContact CD1-CG 4.25Å; L348-F352 HydrophobicContact CD1-CZ 3.49Å; L348-F352 VanDerWaalsContact CD1-CZ 3.49Å
349Q83Confident89.6Confident176 Ų17647.6 Ų47.682%0.82221%0.214SC*.SBendtrans-83.6-12174.4-63.5-175.5-1.100113N347N347-Q349 PolarHBondContact O-N 3.13Å
350E84.1Confident89.6Confident125 Ų12547.8 Ų47.858%0.58422%0.215SC*.SBendtrans-125.4164.3-178.4-62.1-173.5-172.500110.8L348 H353L348-E350 VanDerWaalsContact C-N 3.33Å; E350-H353 IonicContact OE2-CE1 3.52Å; E350-H353 PolarHBondContact OE2-CE1 3.26Å; E350-H353 VanDerWaalsContact OE2-CE1 3.28Å; E350-H353 IonicContact OE2-ND1 3.86Å
351R83.8Confident89.6Confident122 Ų12247.9 Ų47.946%0.4622%0.215SC..  trans-64.4148.5170-78.3179176.4-169.71.6110.2S214 H353S214-R351 PolarHBondContact OG-NH2 2.76Å; R351-H353 PolarHBondContact O-N 2.79Å; R351-H353 PolarHBondContact O-ND1 3.26Å
352F84.2Confident89.5Confident18 Ų1847.9 Ų47.98%0.07922%0.215CC..SBendtrans-54.1104.4168.2-79.1-95.6000109.8L52 A217 N244 L247 P311 I345 L348 W357L52-F352 HydrophobicContact CD1-CE1 4.47Å; L52-F352 HydrophobicContact CD2-CE1 4.24Å; L52-F352 HydrophobicContact CD2-CZ 4.04Å; A217-F352 HydrophobicContact CB-CE2 4.08Å; N244-F352 HydrophobicContact CB-CB 4.38Å; N244-F352 HydrophobicContact CB-CD1 4.03Å; N244-F352 HydrophobicContact CB-CG 4.42Å; L247-F352 HydrophobicContact CB-CE1 3.96Å; L247-F352 HydrophobicContact CB-CZ 4.04Å; L247-F352 HydrophobicContact CD1-CZ 4.22Å; P311-F352 HydrophobicContact CB-CB 4.38Å; P311-F352 HydrophobicContact CB-CD2 4.07Å; P311-F352 HydrophobicContact CB-CG 4.31Å; P311-F352 HydrophobicContact CG-CB 3.82Å; P311-F352 HydrophobicContact CG-CD2 3.74Å; P311-F352 HydrophobicContact CG-CG 4.06Å; I345-F352 HydrophobicContact CG2-CE2 4.46Å; L348-F352 HydrophobicContact CD1-CD1 4.37Å; L348-F352 HydrophobicContact CD1-CD2 3.72Å; L348-F352 HydrophobicContact CD1-CE1 4.01Å; L348-F352 HydrophobicContact CD1-CE2 3.32Å; L348-F352 HydrophobicContact CD1-CG 4.25Å; L348-F352 HydrophobicContact CD1-CZ 3.49Å; L348-F352 VanDerWaalsContact CD1-CZ 3.49Å; F352-W357 HydrophobicContact CB-CZ2 4.47Å; F352-W357 WeakPolarHBondContact O-CZ2 3.44Å
353H80.8Confident89.4Confident114 Ų11447.7 Ų47.753%0.52821%0.214SC..  trans-122.9-25.7179.665.4-89.5000112E350 R351E350-H353 IonicContact OE2-CE1 3.52Å; E350-H353 PolarHBondContact OE2-CE1 3.26Å; E350-H353 VanDerWaalsContact OE2-CE1 3.28Å; E350-H353 IonicContact OE2-ND1 3.86Å; R351-H353 PolarHBondContact O-N 2.79Å; R351-H353 PolarHBondContact O-ND1 3.26Å
354Q74.4Confident89.4Confident79 Ų7947.5 Ų47.537%0.36921%0.213SC..SBendtrans-79.2173.3171-137.7-179.5-2200111.7S48 E49 N244S48-Q354 VanDerWaalsContact C-CD 3.49Å; S48-Q354 VanDerWaalsContact C-NE2 3.34Å; S48-Q354 VanDerWaalsContact O-CD 3.3Å; S48-Q354 PolarHBondContact O-NE2 2.82Å; S48-Q354 PolarHBondContact O-OE1 2.84Å; S48-Q354 WeakPolarHBondContact OG-CG 3.31Å; E49-Q354 HydrophobicContact CB-CB 4.38Å; N244-Q354 PolarHBondContact ND2-O 3.04Å
355S88.1Confident89.5Confident25 Ų2548.9 Ų48.918%0.17522%0.218CC..SBendtrans65.9-176-175.7-1460000116.3S48 N244 D246S48-S355 WeakPolarHBondContact OG-CA 3.46Å; S48-S355 VanDerWaalsContact OG-CB 3.28Å; S48-S355 WeakPolarHBondContact OG-CB 3.48Å; S48-S355 PolarHBondContact OG-N 2.9Å; N244-S355 WeakPolarHBondContact OD1-CB 3.21Å; D246-S355 VanDerWaalsContact CG-OG 3.25Å; D246-S355 VanDerWaalsContact OD1-CB 3.23Å; D246-S355 WeakPolarHBondContact OD1-CB 3.23Å; D246-S355 PolarHBondContact OD1-OG 2.91Å
356F89.2Confident89.5Confident60 Ų6049.7 Ų49.726%0.26322%0.221SC..  trans-96.2143.5-172.6-65.4-90.5000112.8L245 Y359 Y367L245-F356 HydrophobicContact CB-CB 4.32Å; L245-F356 WeakPolarHBondContact CB-O 3.33Å; L245-F356 HydrophobicContact CD2-CB 4.18Å; L245-F356 HydrophobicContact CD2-CD2 4.07Å; L245-F356 PolarHBondContact N-O 2.95Å; F356-Y359 HydrophobicContact CB-CD1 4.01Å; F356-Y359 WeakPolarHBondContact O-CE1 3.29Å; F356-Y367 AromaticContact CD2-CE2 3.69Å; F356-Y367 HydrophobicContact CD2-CE2 3.69Å; F356-Y367 AromaticContact CE2-CE2 3.72Å; F356-Y367 HydrophobicContact CE2-CE2 3.72Å; F356-Y367 AromaticContact CE2-CZ 3.86Å; F356-Y367 VanDerWaalsContact CE2-OH 3.3Å; F356-Y367 WeakPolarHBondContact CE2-OH 3.4Å; F356-Y367 HydrophobicContact CG-CE2 4.25Å; F356-Y367 HydrophobicContact CZ-CE2 4.3Å
357W90.9Very high89.6Confident83 Ų8349.7 Ų49.731%0.31422%0.22SC..SBendtrans-108.5-12.1171.6-61.892.8000113.3N244 P311 F352N244-W357 HydrophobicContact CB-CE3 4.37Å; N244-W357 HydrophobicContact CB-CH2 3.9Å; N244-W357 HydrophobicContact CB-CZ2 4.1Å; N244-W357 HydrophobicContact CB-CZ3 4.03Å; N244-W357 WeakPolarHBondContact ND2-CZ2 3.31Å; P311-W357 HydrophobicContact CB-CH2 4.09Å; P311-W357 HydrophobicContact CG-CH2 4.08Å; F352-W357 HydrophobicContact CB-CZ2 4.47Å; F352-W357 WeakPolarHBondContact O-CZ2 3.44Å
358Y92.8Very high89.9Confident110 Ų11047.5 Ų47.543%0.43121%0.209SC..SBendtrans-130.497.3-176.7-64.5-72000109.3I370Y358-I370 PolarHBondContact O-N 3.27Å; Y358-I370 VanDerWaalsContact O-N 3.14Å
359Y95.3Very high90.1Very high5 Ų547.8 Ų47.82%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-153.8163.2-17358.6-94.1000111.6L242 A243 L245 F356 L361 I368L242-Y359 HydrophobicContact CB-CE1 4.06Å; L242-Y359 HydrophobicContact CD1-CD1 4Å; L242-Y359 HydrophobicContact CD1-CD2 4.04Å; L242-Y359 HydrophobicContact CD1-CE1 3.93Å; L242-Y359 HydrophobicContact CD1-CE2 3.98Å; L242-Y359 HydrophobicContact CD1-CG 4.06Å; L242-Y359 WeakPolarHBondContact CD1-O 3.35Å; A243-Y359 VanDerWaalsContact O-CE1 3.26Å; A243-Y359 WeakPolarHBondContact O-CE1 3.4Å; A243-Y359 PolarHBondContact O-OH 3.32Å; L245-Y359 HydrophobicContact CB-CD1 3.94Å; L245-Y359 HydrophobicContact CB-CE1 3.67Å; L245-Y359 HydrophobicContact CD1-CD1 4.49Å; L245-Y359 HydrophobicContact CD1-CD2 4.05Å; L245-Y359 HydrophobicContact CD1-CE1 4.36Å; L245-Y359 HydrophobicContact CD1-CE2 3.9Å; L245-Y359 HydrophobicContact CD1-CG 4.35Å; F356-Y359 HydrophobicContact CB-CD1 4.01Å; F356-Y359 WeakPolarHBondContact O-CE1 3.29Å; Y359-L361 HydrophobicContact CD2-CD1 4.26Å; Y359-L361 HydrophobicContact CD2-CD2 4.35Å; Y359-L361 HydrophobicContact CD2-CG 3.84Å; Y359-L361 HydrophobicContact CE2-CD1 3.69Å; Y359-L361 HydrophobicContact CE2-CG 3.79Å; Y359-I368 CarbonylContact C-O 3.56Å; Y359-I368 WeakPolarHBondContact CA-O 3.41Å
360F95.4Very high90.6Very high3 Ų342.3 Ų42.31%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-116.2145.3163.2-68.6-68.8000111F33 L286 A289 V290 P362 Y367 I368 Y373 I597 S598F33-F360 HydrophobicContact CE2-CE2 4.18Å; F33-F360 HydrophobicContact CZ-CE2 4.04Å; F33-F360 HydrophobicContact CZ-CZ 4.31Å; L286-F360 HydrophobicContact CD1-CB 3.71Å; L286-F360 HydrophobicContact CD1-CD1 4.13Å; L286-F360 HydrophobicContact CD1-CD2 4.01Å; L286-F360 HydrophobicContact CD1-CG 3.69Å; A289-F360 HydrophobicContact CB-CD1 4.01Å; V290-F360 HydrophobicContact CB-CE1 4.38Å; V290-F360 HydrophobicContact CG2-CD1 4.07Å; V290-F360 HydrophobicContact CG2-CE1 3.44Å; V290-F360 VanDerWaalsContact CG2-CE1 3.44Å; V290-F360 HydrophobicContact CG2-CE2 4.42Å; V290-F360 HydrophobicContact CG2-CZ 3.64Å; F360-P362 WeakPolarHBondContact O-CD 3.41Å; F360-Y367 CarbonylContact O-C 3.6Å; F360-Y367 VanDerWaalsContact O-CA 3.27Å; F360-Y367 WeakPolarHBondContact O-CA 3.38Å; F360-I368 HydrophobicContact CB-CB 4.25Å; F360-I368 HydrophobicContact CB-CD1 4.1Å; F360-I368 PolarHBondContact N-O 3.1Å; F360-I368 PolarHBondContact O-N 3.06Å; F360-Y373 AromaticContact CD2-CD1 3.43Å; F360-Y373 HydrophobicContact CD2-CD1 3.43Å; F360-Y373 VanDerWaalsContact CD2-CD1 3.43Å; F360-Y373 AromaticContact CD2-CE1 3.75Å; F360-Y373 HydrophobicContact CD2-CE1 3.75Å; F360-Y373 AromaticContact CD2-CG 3.9Å; F360-Y373 HydrophobicContact CD2-CG 3.9Å; F360-Y373 AromaticContact CE2-CD1 3.62Å; F360-Y373 HydrophobicContact CE2-CD1 3.62Å; F360-Y373 AromaticContact CE2-CD2 3.99Å; F360-Y373 HydrophobicContact CE2-CD2 3.99Å; F360-Y373 AromaticContact CE2-CE1 3.8Å; F360-Y373 HydrophobicContact CE2-CE1 3.8Å; F360-Y373 HydrophobicContact CE2-CE2 4.2Å; F360-Y373 AromaticContact CE2-CG 3.7Å; F360-Y373 HydrophobicContact CE2-CG 3.7Å; F360-I597 HydrophobicContact CE2-CG2 4.28Å; F360-I597 HydrophobicContact CZ-CG2 3.87Å; F360-S598 WeakPolarHBondContact CE1-OG 3.11Å; F360-S598 WeakPolarHBondContact CZ-OG 3.35Å
361L94.9Very high91Very high5 Ų539.1 Ų39.13%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-11490.9173.9-68.5174.1000109.9T45 L245 V248 V264 Y359 N363 R366T45-L361 HydrophobicContact CG2-CD2 4.26Å; L245-L361 HydrophobicContact CD1-CD1 4.43Å; L245-L361 HydrophobicContact CD1-CD2 3.99Å; V248-L361 HydrophobicContact CG1-CD1 3.81Å; V264-L361 HydrophobicContact CG1-CB 3.81Å; V264-L361 HydrophobicContact CG1-CD1 3.82Å; V264-L361 HydrophobicContact CG1-CG 4.46Å; V264-L361 HydrophobicContact CG2-CD1 4.2Å; Y359-L361 HydrophobicContact CD2-CD1 4.26Å; Y359-L361 HydrophobicContact CD2-CD2 4.35Å; Y359-L361 HydrophobicContact CD2-CG 3.84Å; Y359-L361 HydrophobicContact CE2-CD1 3.69Å; Y359-L361 HydrophobicContact CE2-CG 3.79Å; L361-N363 PolarHBondContact O-N 2.95Å; L361-R366 WeakPolarHBondContact CD2-O 3.24Å
362P93.7Very high91.5Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-61.8-27.317024.3-34.4000112.6Q267 D282 L286 F360 R366 I368Q267-P362 WeakPolarHBondContact CG-O 3.29Å; D282-P362 HydrophobicContact CB-CB 4.26Å; D282-P362 WeakPolarHBondContact O-CB 3.42Å; L286-P362 HydrophobicContact CB-CB 4.35Å; F360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-R366 WeakPolarHBondContact CD-O 3.3Å; P362-R366 HydrophobicContact CG-CB 4.13Å; P362-I368 HydrophobicContact CG-CD1 4.15Å
363N92.9Very high92Very high0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-156.7168.617166.361.4000110.1Y269 D282 L361 Y365 R366Y269-N363 HydrophobicContact CD2-CB 4.34Å; Y269-N363 WeakPolarHBondContact CD2-OD1 3.46Å; D282-N363 PolarHBondContact OD1-ND2 3.49Å; L361-N363 PolarHBondContact O-N 2.95Å; N363-Y365 PolarHBondContact O-N 3.47Å; N363-Y365 PolarHBondContact OD1-N 3.37Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 VanDerWaalsContact O-O 3.05Å; N363-R366 PolarHBondContact OD1-N 3.5Å
364P93.9Very high92.7Very high1 Ų130.3 Ų30.31%0.00615%0.154CC..THydrogen-bonded Turntrans-58.9-17.8-176.2-2734.2000117.3V252 V264V252-P364 HydrophobicContact CG1-CB 4.06Å; V252-P364 HydrophobicContact CG2-CB 3.95Å; V264-P364 HydrophobicContact CB-CG 4.46Å; V264-P364 HydrophobicContact CG2-CB 4.19Å; V264-P364 HydrophobicContact CG2-CG 4.06Å
365Y94.5Very high93.7Very high33 Ų3328.8 Ų28.813%0.12915%0.151CC..THydrogen-bonded Turntrans-114.60.6-174.7-63.1-90000113.9K44 T45 V252 Y269 N363K44-Y365 WeakPolarHBondContact CA-O 3.16Å; T45-Y365 PolarHBondContact N-O 3.32Å; T45-Y365 WeakPolarHBondContact OG1-CA 3.29Å; T45-Y365 PolarHBondContact OG1-O 2.84Å; V252-Y365 HydrophobicContact CG1-CD1 4.08Å; V252-Y365 HydrophobicContact CG1-CD2 4.48Å; V252-Y365 HydrophobicContact CG1-CE1 3.59Å; V252-Y365 HydrophobicContact CG1-CE2 4.05Å; Y269-Y365 AromaticContact CD1-CD2 3.71Å; Y269-Y365 HydrophobicContact CD1-CD2 3.71Å; Y269-Y365 AromaticContact CD1-CE2 3.99Å; Y269-Y365 HydrophobicContact CD1-CE2 3.99Å; Y269-Y365 AromaticContact CD2-CD2 3.89Å; Y269-Y365 HydrophobicContact CD2-CD2 3.89Å; Y269-Y365 HydrophobicContact CD2-CG 4.47Å; Y269-Y365 HydrophobicContact CE1-CD2 4.28Å; Y269-Y365 HydrophobicContact CE2-CD2 4.43Å; Y269-Y365 AromaticContact CG-CD2 3.49Å; Y269-Y365 HydrophobicContact CG-CD2 3.49Å; Y269-Y365 VanDerWaalsContact CG-CD2 3.49Å; Y269-Y365 HydrophobicContact CG-CE2 4.04Å; Y269-Y365 HydrophobicContact CG-CG 4.41Å; N363-Y365 PolarHBondContact O-N 3.47Å; N363-Y365 PolarHBondContact OD1-N 3.37Å
366R94.2Very high94.1Very high22 Ų2227.6 Ų27.68%0.08314%0.143CC..EExtended strand (participates in β ladder)trans-128.2135.2179-70.1-56.7-152.1139.3-5.1110.7D39 N42 Y43 L361 P362 N363D39-R366 PolarHBondContact O-NH1 2.93Å; D39-R366 PolarHBondContact O-NH2 2.97Å; D39-R366 IonicContact OD1-CZ 2.69Å; D39-R366 IonicContact OD1-NE 2.8Å; D39-R366 PolarHBondContact OD1-NE 3.5Å; D39-R366 IonicContact OD1-NH2 3.68Å; D39-R366 PolarHBondContact OD1-NH2 2.92Å; N42-R366 PolarHBondContact O-NH1 3.49Å; N42-R366 VanDerWaalsContact OD1-CD 3.25Å; N42-R366 WeakPolarHBondContact OD1-CD 3.47Å; N42-R366 VanDerWaalsContact OD1-CZ 3.31Å; N42-R366 PolarHBondContact OD1-NE 3.42Å; N42-R366 PolarHBondContact OD1-NH1 3.05Å; Y43-R366 CarbonylContact O-C 3.49Å; Y43-R366 VanDerWaalsContact O-CA 3.29Å; Y43-R366 WeakPolarHBondContact O-CA 3.33Å; Y43-R366 WeakPolarHBondContact O-CD 3.19Å; L361-R366 WeakPolarHBondContact CD2-O 3.24Å; P362-R366 WeakPolarHBondContact CD-O 3.3Å; P362-R366 HydrophobicContact CG-CB 4.13Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 VanDerWaalsContact O-O 3.05Å; N363-R366 PolarHBondContact OD1-N 3.5Å
367Y95.6Very high94.4Very high9 Ų924.8 Ų24.84%0.03513%0.13CC..EExtended strand (participates in β ladder)trans-130.8149.917585.6-75.9000112.3Y43 K44 T45 Y46 L245 F356 F360Y43-Y367 HydrophobicContact CD2-CE1 4.45Å; Y43-Y367 HydrophobicContact CD2-CE2 4.45Å; Y43-Y367 HydrophobicContact CG-CE1 4.32Å; Y43-Y367 PolarHBondContact N-O 2.78Å; Y43-Y367 PolarHBondContact O-N 3.45Å; K44-Y367 WeakPolarHBondContact O-CE1 3.4Å; T45-Y367 HydrophobicContact CG2-CD1 4.04Å; T45-Y367 HydrophobicContact CG2-CG 4.44Å; Y46-Y367 HydrophobicContact CD1-CE1 4.28Å; Y46-Y367 HydrophobicContact CE1-CE1 4.07Å; Y46-Y367 WeakPolarHBondContact CE1-OH 3.48Å; L245-Y367 HydrophobicContact CD2-CD1 4.24Å; L245-Y367 HydrophobicContact CD2-CD2 3.56Å; L245-Y367 HydrophobicContact CD2-CE2 3.91Å; L245-Y367 HydrophobicContact CD2-CG 3.76Å; F356-Y367 AromaticContact CD2-CE2 3.69Å; F356-Y367 HydrophobicContact CD2-CE2 3.69Å; F356-Y367 AromaticContact CE2-CE2 3.72Å; F356-Y367 HydrophobicContact CE2-CE2 3.72Å; F356-Y367 AromaticContact CE2-CZ 3.86Å; F356-Y367 VanDerWaalsContact CE2-OH 3.3Å; F356-Y367 WeakPolarHBondContact CE2-OH 3.4Å; F356-Y367 HydrophobicContact CG-CE2 4.25Å; F356-Y367 HydrophobicContact CZ-CE2 4.3Å; F360-Y367 CarbonylContact O-C 3.6Å; F360-Y367 VanDerWaalsContact O-CA 3.27Å; F360-Y367 WeakPolarHBondContact O-CA 3.38Å
368I96.2Very high94.6Very high1 Ų125.1 Ų25.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-116.1117.6176.3-53.6155.5000106.7L36 N42 L286 Y359 F360 P362 V372 Y373L36-I368 HydrophobicContact CB-CD1 3.82Å; L36-I368 HydrophobicContact CB-CG1 4.29Å; L36-I368 HydrophobicContact CB-CG2 4.15Å; L36-I368 HydrophobicContact CD1-CG2 3.97Å; L36-I368 VanDerWaalsContact O-CD1 3.32Å; L36-I368 WeakPolarHBondContact O-CD1 3.44Å; L36-I368 WeakPolarHBondContact O-CG1 3.34Å; N42-I368 HydrophobicContact CB-CG1 3.68Å; L286-I368 HydrophobicContact CD1-CD1 3.88Å; L286-I368 HydrophobicContact CD2-CD1 4.15Å; Y359-I368 CarbonylContact C-O 3.56Å; Y359-I368 WeakPolarHBondContact CA-O 3.41Å; F360-I368 HydrophobicContact CB-CB 4.25Å; F360-I368 HydrophobicContact CB-CD1 4.1Å; F360-I368 PolarHBondContact N-O 3.1Å; F360-I368 PolarHBondContact O-N 3.06Å; P362-I368 HydrophobicContact CG-CD1 4.15Å; I368-V372 HydrophobicContact CG2-CB 4.04Å; I368-V372 HydrophobicContact CG2-CG1 3.92Å; I368-Y373 HydrophobicContact CG2-CD1 4.16Å
369S94.6Very high94.7Very high12 Ų1221.7 Ų21.78%0.08413%0.126CC..EExtended strand (participates in β ladder)trans-82.6158.6-178.962.30000112.8G371 V372 Y373S369-G371 PolarHBondContact O-N 3.11Å; S369-G371 VanDerWaalsContact O-N 3.12Å; S369-V372 PolarHBondContact O-N 2.86Å; S369-Y373 VanDerWaalsContact O-CD1 3.24Å; S369-Y373 WeakPolarHBondContact O-CD1 3.43Å; S369-Y373 PolarHBondContact O-N 2.75Å
370I92.8Very high94.7Very high62 Ų6221.4 Ų21.432%0.31813%0.125SC..Hα-helixtrans-39.6-46.1171.1-177.568.6000114Y358 V372 Y373 M374Y358-I370 PolarHBondContact O-N 3.27Å; Y358-I370 VanDerWaalsContact O-N 3.14Å; I370-V372 PolarHBondContact O-N 3.37Å; I370-Y373 VanDerWaalsContact CA-CE1 3.5Å; I370-Y373 HydrophobicContact CB-CE1 4.39Å; I370-Y373 HydrophobicContact CD1-CE2 3.59Å; I370-Y373 WeakPolarHBondContact CD1-OH 3.3Å; I370-Y373 PolarHBondContact O-N 2.95Å; I370-M374 HydrophobicContact CD1-CE 4.17Å; I370-M374 HydrophobicContact CD1-CG 3.51Å; I370-M374 HydrophobicContact CD1-SD 3.92Å; I370-M374 HydrophobicContact CG1-CG 4.06Å; I370-M374 WeakPolarHBondContact O-CB 3.35Å; I370-M374 WeakPolarHBondContact O-CG 3.37Å; I370-M374 PolarHBondContact O-N 2.99Å; I370-M374 VanDerWaalsContact O-N 3.14Å
371G92.7Very high94.7Very high57 Ų5721.4 Ų21.459%0.58813%0.126SC*.Hα-helixtrans-67.2-20-17900000114.9S369S369-G371 PolarHBondContact O-N 3.11Å; S369-G371 VanDerWaalsContact O-N 3.12Å
372V94.6Very high94.6Very high27 Ų2725.3 Ų25.316%0.16415%0.146CC..Hα-helixtrans-94.2-36.8179.8177.20000111.8L36 Y43 I368 S369 I370L36-V372 HydrophobicContact CD1-CG1 4.25Å; L36-V372 HydrophobicContact CD2-CG1 3.71Å; Y43-V372 HydrophobicContact CE2-CG2 3.66Å; I368-V372 HydrophobicContact CG2-CB 4.04Å; I368-V372 HydrophobicContact CG2-CG1 3.92Å; S369-V372 PolarHBondContact O-N 2.86Å; I370-V372 PolarHBondContact O-N 3.37Å
373Y94.9Very high94.6Very high2 Ų225.3 Ų25.31%0.00815%0.146CC..Hα-helixtrans-88.4-21.3-177.868.5-117.8000115.2F360 I368 S369 I370 P376 I597F360-Y373 AromaticContact CD2-CD1 3.43Å; F360-Y373 HydrophobicContact CD2-CD1 3.43Å; F360-Y373 VanDerWaalsContact CD2-CD1 3.43Å; F360-Y373 AromaticContact CD2-CE1 3.75Å; F360-Y373 HydrophobicContact CD2-CE1 3.75Å; F360-Y373 AromaticContact CD2-CG 3.9Å; F360-Y373 HydrophobicContact CD2-CG 3.9Å; F360-Y373 AromaticContact CE2-CD1 3.62Å; F360-Y373 HydrophobicContact CE2-CD1 3.62Å; F360-Y373 AromaticContact CE2-CD2 3.99Å; F360-Y373 HydrophobicContact CE2-CD2 3.99Å; F360-Y373 AromaticContact CE2-CE1 3.8Å; F360-Y373 HydrophobicContact CE2-CE1 3.8Å; F360-Y373 HydrophobicContact CE2-CE2 4.2Å; F360-Y373 AromaticContact CE2-CG 3.7Å; F360-Y373 HydrophobicContact CE2-CG 3.7Å; I368-Y373 HydrophobicContact CG2-CD1 4.16Å; S369-Y373 VanDerWaalsContact O-CD1 3.24Å; S369-Y373 WeakPolarHBondContact O-CD1 3.43Å; S369-Y373 PolarHBondContact O-N 2.75Å; I370-Y373 VanDerWaalsContact CA-CE1 3.5Å; I370-Y373 HydrophobicContact CB-CE1 4.39Å; I370-Y373 HydrophobicContact CD1-CE2 3.59Å; I370-Y373 WeakPolarHBondContact CD1-OH 3.3Å; I370-Y373 PolarHBondContact O-N 2.95Å; Y373-P376 WeakPolarHBondContact O-CD 3.32Å; Y373-P376 WeakPolarHBondContact O-CG 3.36Å; Y373-I597 HydrophobicContact CD2-CG1 3.87Å; Y373-I597 HydrophobicContact CD2-CG2 4.38Å; Y373-I597 HydrophobicContact CE2-CB 3.97Å; Y373-I597 HydrophobicContact CE2-CG1 3.72Å; Y373-I597 HydrophobicContact CE2-CG2 3.61Å
374M94.5Very high94.6Very high40 Ų4025.3 Ų25.320%0.19715%0.146CC..Hα-helixtrans-63.5-45.4178.1-72.3-69-104.900113.7I370 V377 L378 I597I370-M374 HydrophobicContact CD1-CE 4.17Å; I370-M374 HydrophobicContact CD1-CG 3.51Å; I370-M374 HydrophobicContact CD1-SD 3.92Å; I370-M374 HydrophobicContact CG1-CG 4.06Å; I370-M374 WeakPolarHBondContact O-CB 3.35Å; I370-M374 WeakPolarHBondContact O-CG 3.37Å; I370-M374 PolarHBondContact O-N 2.99Å; I370-M374 VanDerWaalsContact O-N 3.14Å; M374-V377 PolarHBondContact O-N 2.92Å; M374-L378 HydrophobicContact CB-CD1 4.43Å; M374-L378 WeakPolarHBondContact O-CB 3.29Å; M374-L378 VanDerWaalsContact O-CG 3.32Å; M374-L378 WeakPolarHBondContact O-CG 3.29Å; M374-L378 PolarHBondContact O-N 3.06Å; M374-I597 HydrophobicContact SD-CD1 3.62Å; M374-I597 HydrophobicContact SD-CG1 4.26Å
375P95.8Very high94.6Very high48 Ų4827.8 Ų27.831%0.31216%0.159SC..Hα-helixtrans-54.5-48.9-178.2-26.435.2000116W32 V377 L378 I379W32-P375 HydrophobicContact CH2-CB 3.77Å; W32-P375 HydrophobicContact CZ2-CB 4.2Å; W32-P375 HydrophobicContact CZ3-CB 4.32Å; P375-V377 PolarHBondContact O-N 3.39Å; P375-L378 PolarHBondContact O-N 3.49Å; P375-I379 WeakPolarHBondContact O-CG1 3.39Å; P375-I379 PolarHBondContact O-N 3.03Å
376P96.1Very high94.4Very high0 Ų027.9 Ų27.90%016%0.161CC..Hα-helixtrans-64.8-36.1178.619.9-29.9000113.8G29 W32 F33 L36 Y373 I379 M380G29-P376 WeakPolarHBondContact CA-O 3.44Å; G29-P376 WeakPolarHBondContact O-CB 3.49Å; W32-P376 HydrophobicContact CB-CB 3.94Å; W32-P376 HydrophobicContact CD2-CB 3.85Å; W32-P376 HydrophobicContact CD2-CG 4.2Å; W32-P376 HydrophobicContact CE3-CB 4.09Å; W32-P376 HydrophobicContact CG-CB 3.82Å; W32-P376 HydrophobicContact CG-CG 4.22Å; F33-P376 HydrophobicContact CB-CB 4.11Å; F33-P376 HydrophobicContact CB-CG 4.33Å; F33-P376 HydrophobicContact CD2-CG 4.33Å; L36-P376 HydrophobicContact CD1-CG 4.02Å; Y373-P376 WeakPolarHBondContact O-CD 3.32Å; Y373-P376 WeakPolarHBondContact O-CG 3.36Å; P376-I379 PolarHBondContact O-N 3.3Å; P376-M380 WeakPolarHBondContact O-CG 3.4Å; P376-M380 PolarHBondContact O-N 3.4Å
377V95.7Very high94Very high1 Ų127.2 Ų27.21%0.00616%0.159CC..Hα-helixtrans-70.7-39.4177.2-174.20000111.1F33 M374 P375 I379 M380 I381 I597 V601F33-V377 HydrophobicContact CD2-CG2 3.57Å; F33-V377 HydrophobicContact CE2-CG2 3.75Å; M374-V377 PolarHBondContact O-N 2.92Å; P375-V377 PolarHBondContact O-N 3.39Å; V377-I379 PolarHBondContact O-N 2.88Å; V377-M380 WeakPolarHBondContact O-CB 3.31Å; V377-M380 PolarHBondContact O-N 2.78Å; V377-M380 VanDerWaalsContact O-N 3.14Å; V377-I381 HydrophobicContact CG1-CD1 4.13Å; V377-I381 WeakPolarHBondContact O-CG1 3.25Å; V377-I381 PolarHBondContact O-N 3.18Å; V377-I597 HydrophobicContact CB-CD1 3.87Å; V377-I597 HydrophobicContact CG1-CD1 3.68Å; V377-I597 HydrophobicContact CG2-CD1 3.97Å; V377-I597 HydrophobicContact CG2-CG1 4.28Å; V377-V601 HydrophobicContact CB-CG2 4.29Å; V377-V601 HydrophobicContact CG1-CG2 3.75Å; V377-V601 HydrophobicContact CG2-CG2 3.48Å; V377-V601 VanDerWaalsContact CG2-CG2 3.48Å
378L95.2Very high93.7Very high89 Ų8927.6 Ų27.647%0.46616%0.163SC..Hα-helixtrans-60.5-35.6171.9-70.3171.2000111.6M374 P375 I381 L382M374-L378 HydrophobicContact CB-CD1 4.43Å; M374-L378 WeakPolarHBondContact O-CB 3.29Å; M374-L378 VanDerWaalsContact O-CG 3.32Å; M374-L378 WeakPolarHBondContact O-CG 3.29Å; M374-L378 PolarHBondContact O-N 3.06Å; P375-L378 PolarHBondContact O-N 3.49Å; L378-I381 PolarHBondContact O-N 2.87Å; L378-L382 WeakPolarHBondContact O-CB 3.25Å; L378-L382 PolarHBondContact O-N 3.36Å
379I95.8Very high93.4Very high38 Ų3833.2 Ų33.220%0.19519%0.187CC..Hα-helixtrans-68.9-38.3173.7-72165.9000112.1L25 W32 P375 P376 V377 I381 L382 S383L25-I379 HydrophobicContact CD2-CG2 4.35Å; L25-I379 WeakPolarHBondContact O-CG2 3.36Å; W32-I379 HydrophobicContact CE3-CD1 3.91Å; W32-I379 HydrophobicContact CZ3-CD1 3.48Å; W32-I379 VanDerWaalsContact CZ3-CD1 3.48Å; P375-I379 WeakPolarHBondContact O-CG1 3.39Å; P375-I379 PolarHBondContact O-N 3.03Å; P376-I379 PolarHBondContact O-N 3.3Å; V377-I379 PolarHBondContact O-N 2.88Å; I379-I381 VanDerWaalsContact C-N 3.32Å; I379-I381 PolarHBondContact O-N 3.23Å; I379-L382 PolarHBondContact O-N 3.46Å; I379-S383 PolarHBondContact O-N 3.14Å
380M95Very high92.9Very high0 Ų033.1 Ų33.10%019%0.186CC..Hα-helixtrans-58.5-45.4171.5-67.7168.262.100111.1Y26 L30 P376 V377 S383 A604 I605Y26-M380 HydrophobicContact CD2-CB 4.41Å; Y26-M380 HydrophobicContact CD2-CE 4.42Å; Y26-M380 HydrophobicContact CD2-CG 4.42Å; Y26-M380 HydrophobicContact CE2-CE 3.93Å; L30-M380 HydrophobicContact CB-SD 4.31Å; L30-M380 HydrophobicContact CD1-CE 4.09Å; L30-M380 HydrophobicContact CD1-SD 4.42Å; P376-M380 WeakPolarHBondContact O-CG 3.4Å; P376-M380 PolarHBondContact O-N 3.4Å; V377-M380 WeakPolarHBondContact O-CB 3.31Å; V377-M380 PolarHBondContact O-N 2.78Å; V377-M380 VanDerWaalsContact O-N 3.14Å; M380-S383 WeakPolarHBondContact O-CB 3.34Å; M380-S383 PolarHBondContact O-OG 2.91Å; M380-A604 HydrophobicContact CE-CB 4.07Å; M380-I605 HydrophobicContact CE-CG1 4.34Å
381I94.5Very high92.5Very high3 Ų331.5 Ų31.52%0.01518%0.176CC..Hα-helixtrans-71-39.5-179.8-61.8164.9000111.4V377 L378 I379 S383 L384 A586 L589 A593V377-I381 HydrophobicContact CG1-CD1 4.13Å; V377-I381 WeakPolarHBondContact O-CG1 3.25Å; V377-I381 PolarHBondContact O-N 3.18Å; L378-I381 PolarHBondContact O-N 2.87Å; I379-I381 VanDerWaalsContact C-N 3.32Å; I379-I381 PolarHBondContact O-N 3.23Å; I381-S383 PolarHBondContact O-N 3.35Å; I381-S383 VanDerWaalsContact O-N 3.11Å; I381-L384 WeakPolarHBondContact O-CB 3.43Å; I381-L384 PolarHBondContact O-N 3.06Å; I381-A586 HydrophobicContact CG2-CB 4.16Å; I381-L589 HydrophobicContact CD1-CB 4.04Å; I381-L589 HydrophobicContact CG1-CB 3.99Å; I381-L589 HydrophobicContact CG2-CB 4.41Å; I381-A593 HydrophobicContact CD1-CB 4.15Å
382L93.9Very high92.1Very high87 Ų8735.9 Ų35.946%0.45518%0.175SC..Hα-helixtrans-57.1-27.1178.1-177.464.2000112.9L378 I379 L384 L385 L386L378-L382 WeakPolarHBondContact O-CB 3.25Å; L378-L382 PolarHBondContact O-N 3.36Å; I379-L382 PolarHBondContact O-N 3.46Å; L382-L384 PolarHBondContact O-N 2.68Å; L382-L385 HydrophobicContact CD1-CB 4.3Å; L382-L385 HydrophobicContact CD1-CD1 4.38Å; L382-L385 PolarHBondContact O-N 2.93Å; L382-L385 VanDerWaalsContact O-N 3.08Å; L382-L386 PolarHBondContact O-N 2.86Å
383S94.1Very high91.6Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-55.1-34173740000113.4G22 I379 M380 I381 V608 N612G22-S383 WeakPolarHBondContact O-CB 3.27Å; I379-S383 PolarHBondContact O-N 3.14Å; M380-S383 WeakPolarHBondContact O-CB 3.34Å; M380-S383 PolarHBondContact O-OG 2.91Å; I381-S383 PolarHBondContact O-N 3.35Å; I381-S383 VanDerWaalsContact O-N 3.11Å; S383-V608 WeakPolarHBondContact OG-CG1 3.37Å; S383-N612 PolarHBondContact O-OD1 3.15Å; S383-N612 PolarHBondContact OG-ND2 3.37Å
384L92.9Very high90.9Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-74-35.3177.4-61.8180000112.1I381 L382 L386 P388 L582 W585 A586 L589 V608 L611I381-L384 WeakPolarHBondContact O-CB 3.43Å; I381-L384 PolarHBondContact O-N 3.06Å; L382-L384 PolarHBondContact O-N 2.68Å; L384-L386 VanDerWaalsContact C-N 3.34Å; L384-P388 WeakPolarHBondContact O-CD 3.35Å; L384-L582 HydrophobicContact CD2-CD2 3.78Å; L384-W585 HydrophobicContact CD1-CB 4.13Å; L384-A586 HydrophobicContact CB-CB 3.98Å; L384-A586 HydrophobicContact CD1-CB 4.31Å; L384-L589 HydrophobicContact CD1-CD1 4.04Å; L384-V608 HydrophobicContact CD1-CG2 4.14Å; L384-V608 HydrophobicContact CD2-CG1 4.1Å; L384-V608 HydrophobicContact CG-CG1 4.28Å; L384-V608 HydrophobicContact CG-CG2 4.36Å; L384-L611 HydrophobicContact CD1-CD1 4.01Å; L384-L611 HydrophobicContact CD2-CB 3.6Å; L384-L611 HydrophobicContact CD2-CD1 3.92Å; L384-L611 HydrophobicContact CD2-CG 4.42Å
385L92.8Very high90.2Very high52 Ų5237.1 Ų37.127%0.27218%0.181SC..Hα-helixtrans-75.5-20-177.9-67.7175.6000113.5L382 K387 P388 F389 F583 A586L382-L385 HydrophobicContact CD1-CB 4.3Å; L382-L385 HydrophobicContact CD1-CD1 4.38Å; L382-L385 PolarHBondContact O-N 2.93Å; L382-L385 VanDerWaalsContact O-N 3.08Å; L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 3.35Å; L385-P388 WeakPolarHBondContact O-CD 3.5Å; L385-F389 VanDerWaalsContact O-CB 3.25Å; L385-F389 WeakPolarHBondContact O-CB 3.29Å; L385-F389 PolarHBondContact O-N 3.41Å; L385-F583 HydrophobicContact CD2-CD2 3.77Å; L385-F583 HydrophobicContact CD2-CE2 4.28Å; L385-A586 HydrophobicContact CD1-CB 4.42Å; L385-A586 HydrophobicContact CD2-CB 3.46Å; L385-A586 VanDerWaalsContact CD2-CB 3.46Å; L385-A586 HydrophobicContact CG-CB 3.67Å
386L89.6Confident89.4Confident35 Ų3538.2 Ų38.218%0.18318%0.184CC..Hα-helixtrans-57.2-40-178.2-177.5143.9000112.7F21 L25 L382 L384 L390F21-L386 HydrophobicContact CB-CD1 4.12Å; L25-L386 HydrophobicContact CD1-CD1 3.67Å; L382-L386 PolarHBondContact O-N 2.86Å; L384-L386 VanDerWaalsContact C-N 3.34Å; L386-L390 HydrophobicContact CD2-CD1 3.62Å; L386-L390 HydrophobicContact CG-CD1 4.17Å; L386-L390 WeakPolarHBondContact O-CD1 3.35Å; L386-L390 VanDerWaalsContact O-CG 3.23Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 3.14Å
387K87.3Confident88.3Confident8 Ų840.5 Ų40.54%0.03519%0.194CC..Hα-helixtrans-77.9-46.3179.8-59.4177.2-165.5166.20113.6L385 F389 L390 F391 Q579 L582 N612 V615L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 3.35Å; K387-F389 VanDerWaalsContact C-N 3.26Å; K387-F389 PolarHBondContact O-N 2.84Å; K387-L390 PolarHBondContact O-N 3.22Å; K387-F391 VanDerWaalsContact O-CB 3.3Å; K387-F391 WeakPolarHBondContact O-CB 3.13Å; K387-F391 PolarHBondContact O-N 3.22Å; K387-Q579 VanDerWaalsContact C-OE1 3.24Å; K387-Q579 VanDerWaalsContact CB-OE1 3.29Å; K387-L582 HydrophobicContact CB-CD1 3.93Å; K387-L582 HydrophobicContact CD-CD1 3.92Å; K387-L582 HydrophobicContact CG-CD1 4.45Å; K387-N612 PolarHBondContact NZ-O 3.4Å; K387-V615 HydrophobicContact CD-CB 4.46Å; K387-V615 HydrophobicContact CD-CG1 4.49Å; K387-V615 PolarHBondContact NZ-O 3.19Å
388P89.1Confident86.8Confident17 Ų1742.9 Ų42.911%0.1121%0.211CC..Hα-helixtrans-56.2-39.3172.1-28.736000113L384 L385 F391 W392 Q579 L582 F583L384-P388 WeakPolarHBondContact O-CD 3.35Å; L385-P388 WeakPolarHBondContact O-CD 3.5Å; P388-F391 PolarHBondContact O-N 2.97Å; P388-W392 WeakPolarHBondContact O-CB 3.2Å; P388-W392 PolarHBondContact O-N 3.44Å; P388-Q579 HydrophobicContact CB-CB 4.34Å; P388-Q579 VanDerWaalsContact CD-OE1 3.3Å; P388-Q579 HydrophobicContact CG-CB 4.24Å; P388-Q579 VanDerWaalsContact N-OE1 3.12Å; P388-L582 HydrophobicContact CG-CB 3.78Å; P388-L582 HydrophobicContact CG-CD1 4.41Å; P388-F583 HydrophobicContact CB-CB 4.49Å; P388-F583 HydrophobicContact CG-CB 4.34Å
389F88.6Confident85Confident120 Ų12043.8 Ų43.853%0.52622%0.216SC..Hα-helixtrans-67.4-45.6178.9-176.4-110.1000112.8L385 K387 W392 I393L385-F389 VanDerWaalsContact O-CB 3.25Å; L385-F389 WeakPolarHBondContact O-CB 3.29Å; L385-F389 PolarHBondContact O-N 3.41Å; K387-F389 VanDerWaalsContact C-N 3.26Å; K387-F389 PolarHBondContact O-N 2.84Å; F389-W392 HydrophobicContact CD2-CE3 4.4Å; F389-W392 HydrophobicContact CE2-CE3 4.33Å; F389-W392 HydrophobicContact CE2-CZ3 4.33Å; F389-W392 PolarHBondContact O-N 3Å; F389-I393 HydrophobicContact CD1-CD1 3.96Å; F389-I393 HydrophobicContact CE1-CD1 3.54Å; F389-I393 HydrophobicContact CE2-CD1 4.44Å; F389-I393 HydrophobicContact CZ-CD1 3.81Å; F389-I393 WeakPolarHBondContact O-CG1 3.34Å; F389-I393 PolarHBondContact O-N 2.93Å; F389-I393 VanDerWaalsContact O-N 3.07Å
390L85.4Confident83Confident10 Ų1044.2 Ų44.25%0.05222%0.223CC..Hα-helixtrans-62.2-45174-71.8165.8000111.5F11 I14 L386 K387 W392 I393 F394F11-L390 HydrophobicContact CD1-CD2 4.04Å; I14-L390 HydrophobicContact CG2-CD1 3.83Å; I14-L390 HydrophobicContact CG2-CD2 4.19Å; L386-L390 HydrophobicContact CD2-CD1 3.62Å; L386-L390 HydrophobicContact CG-CD1 4.17Å; L386-L390 WeakPolarHBondContact O-CD1 3.35Å; L386-L390 VanDerWaalsContact O-CG 3.23Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 3.14Å; K387-L390 PolarHBondContact O-N 3.22Å; L390-W392 VanDerWaalsContact C-N 3.33Å; L390-W392 PolarHBondContact O-N 3.08Å; L390-I393 WeakPolarHBondContact O-CB 3.49Å; L390-I393 PolarHBondContact O-N 3.34Å; L390-I393 VanDerWaalsContact O-N 3.16Å; L390-F394 HydrophobicContact CB-CE2 4.5Å; L390-F394 WeakPolarHBondContact O-CD2 3.23Å; L390-F394 PolarHBondContact O-N 3.35Å
391F83.5Confident80.9Confident27 Ų2749.1 Ų49.112%0.11825%0.249CC..Hα-helixtrans-59.8-41.9178.2-176.2-106.4000112.2K387 P388 F394 L395 D575 F576 Q579K387-F391 VanDerWaalsContact O-CB 3.3Å; K387-F391 WeakPolarHBondContact O-CB 3.13Å; K387-F391 PolarHBondContact O-N 3.22Å; P388-F391 PolarHBondContact O-N 2.97Å; F391-F394 PolarHBondContact O-N 2.81Å; F391-L395 HydrophobicContact CD1-CD1 3.82Å; F391-L395 HydrophobicContact CD1-CG 4.39Å; F391-L395 HydrophobicContact CE1-CD1 3.59Å; F391-L395 HydrophobicContact CE1-CG 4.22Å; F391-L395 HydrophobicContact CZ-CD1 4.25Å; F391-L395 HydrophobicContact CZ-CD2 4.45Å; F391-L395 HydrophobicContact CZ-CG 4.46Å; F391-L395 WeakPolarHBondContact O-CG 3.2Å; F391-L395 PolarHBondContact O-N 3.2Å; F391-D575 HydrophobicContact CE2-CB 4.12Å; F391-D575 HydrophobicContact CZ-CB 4.38Å; F391-F576 AromaticContact CE1-CD1 3.96Å; F391-F576 HydrophobicContact CE1-CD1 3.96Å; F391-F576 AromaticContact CE1-CD2 3.97Å; F391-F576 HydrophobicContact CE1-CD2 3.97Å; F391-F576 AromaticContact CE1-CE1 3.96Å; F391-F576 HydrophobicContact CE1-CE1 3.96Å; F391-F576 AromaticContact CE1-CE2 3.96Å; F391-F576 HydrophobicContact CE1-CE2 3.96Å; F391-F576 AromaticContact CE1-CG 3.98Å; F391-F576 HydrophobicContact CE1-CG 3.98Å; F391-F576 AromaticContact CE1-CZ 3.96Å; F391-F576 HydrophobicContact CE1-CZ 3.96Å; F391-F576 HydrophobicContact CZ-CD1 4.47Å; F391-F576 AromaticContact CZ-CD2 3.63Å; F391-F576 HydrophobicContact CZ-CD2 3.63Å; F391-F576 HydrophobicContact CZ-CE1 4.5Å; F391-F576 AromaticContact CZ-CE2 3.67Å; F391-F576 HydrophobicContact CZ-CE2 3.67Å; F391-F576 HydrophobicContact CZ-CG 4.06Å; F391-F576 HydrophobicContact CZ-CZ 4.12Å; F391-Q579 HydrophobicContact CB-CG 3.84Å; F391-Q579 HydrophobicContact CD1-CB 4.27Å; F391-Q579 HydrophobicContact CD1-CG 3.58Å; F391-Q579 HydrophobicContact CD2-CG 4.22Å; F391-Q579 HydrophobicContact CE1-CG 4.09Å; F391-Q579 HydrophobicContact CG-CG 3.63Å
392W85Confident78.7Confident149 Ų14953.6 Ų53.656%0.56427%0.273SS*.Hα-helixtrans-62.8-41.3174.1178.369.3000112.7P388 F389 L390 F394 L395 N396P388-W392 WeakPolarHBondContact O-CB 3.2Å; P388-W392 PolarHBondContact O-N 3.44Å; F389-W392 HydrophobicContact CD2-CE3 4.4Å; F389-W392 HydrophobicContact CE2-CE3 4.33Å; F389-W392 HydrophobicContact CE2-CZ3 4.33Å; F389-W392 PolarHBondContact O-N 3Å; L390-W392 VanDerWaalsContact C-N 3.33Å; L390-W392 PolarHBondContact O-N 3.08Å; W392-F394 VanDerWaalsContact C-N 3.33Å; W392-F394 PolarHBondContact O-N 3.11Å; W392-L395 PolarHBondContact O-N 2.9Å; W392-N396 VanDerWaalsContact CZ2-ND2 3.29Å; W392-N396 WeakPolarHBondContact CZ2-ND2 3.41Å; W392-N396 VanDerWaalsContact O-CG 3.24Å; W392-N396 PolarHBondContact O-N 2.98Å; W392-N396 PolarHBondContact O-ND2 2.89Å; W392-N396 PolarHBondContact O-OD1 2.91Å
393I84.7Confident76.5Confident25 Ų2552.3 Ų52.313%0.12827%0.271CS..Hα-helixtrans-60-43173.8-71.3169.4000111.2F11 F389 L390 Q397F11-I393 HydrophobicContact CE1-CD1 4.1Å; F389-I393 HydrophobicContact CD1-CD1 3.96Å; F389-I393 HydrophobicContact CE1-CD1 3.54Å; F389-I393 HydrophobicContact CE2-CD1 4.44Å; F389-I393 HydrophobicContact CZ-CD1 3.81Å; F389-I393 WeakPolarHBondContact O-CG1 3.34Å; F389-I393 PolarHBondContact O-N 2.93Å; F389-I393 VanDerWaalsContact O-N 3.07Å; L390-I393 WeakPolarHBondContact O-CB 3.49Å; L390-I393 PolarHBondContact O-N 3.34Å; L390-I393 VanDerWaalsContact O-N 3.16Å; I393-Q397 WeakPolarHBondContact O-CG 3.24Å; I393-Q397 PolarHBondContact O-N 2.94Å
394F80.1Confident74.2Confident23 Ų2357.5 Ų57.510%0.10130%0.299CS..Hα-helixtrans-72.3-35-179.2-74.2-62.3000113.9F11 K12 E15 L390 F391 W392 Q397 S398F11-F394 HydrophobicContact CB-CE1 4.22Å; F11-F394 HydrophobicContact CB-CE2 4.45Å; F11-F394 HydrophobicContact CB-CZ 3.66Å; K12-F394 HydrophobicContact CG-CE1 3.82Å; K12-F394 HydrophobicContact CG-CZ 3.93Å; E15-F394 HydrophobicContact CB-CE2 3.84Å; E15-F394 HydrophobicContact CB-CZ 4.35Å; E15-F394 HydrophobicContact CG-CE2 4.1Å; E15-F394 WeakPolarHBondContact OE1-CD2 3.27Å; E15-F394 VanDerWaalsContact OE2-CE2 3.29Å; E15-F394 WeakPolarHBondContact OE2-CE2 3.32Å; L390-F394 HydrophobicContact CB-CE2 4.5Å; L390-F394 WeakPolarHBondContact O-CD2 3.23Å; L390-F394 PolarHBondContact O-N 3.35Å; F391-F394 PolarHBondContact O-N 2.81Å; W392-F394 VanDerWaalsContact C-N 3.33Å; W392-F394 PolarHBondContact O-N 3.11Å; F394-Q397 PolarHBondContact O-N 3.38Å; F394-S398 PolarHBondContact O-N 3.21Å; F394-S398 PolarHBondContact O-OG 3.46Å
395L79.8Confident72Confident48 Ų4862.3 Ų62.325%0.25133%0.325SS..Hα-helixtrans-57.9-50.3171.7-74.5171.7000111F391 W392 Q397 S398 D399 F576F391-L395 HydrophobicContact CD1-CD1 3.82Å; F391-L395 HydrophobicContact CD1-CG 4.39Å; F391-L395 HydrophobicContact CE1-CD1 3.59Å; F391-L395 HydrophobicContact CE1-CG 4.22Å; F391-L395 HydrophobicContact CZ-CD1 4.25Å; F391-L395 HydrophobicContact CZ-CD2 4.45Å; F391-L395 HydrophobicContact CZ-CG 4.46Å; F391-L395 WeakPolarHBondContact O-CG 3.2Å; F391-L395 PolarHBondContact O-N 3.2Å; W392-L395 PolarHBondContact O-N 2.9Å; L395-Q397 PolarHBondContact O-N 3.33Å; L395-S398 PolarHBondContact O-N 2.99Å; L395-S398 VanDerWaalsContact O-N 3.17Å; L395-S398 PolarHBondContact O-OG 2.65Å; L395-D399 PolarHBondContact O-N 3.19Å; L395-D399 VanDerWaalsContact O-N 3.09Å; L395-F576 HydrophobicContact CD1-CE1 3.95Å; L395-F576 HydrophobicContact CD1-CE2 4.48Å; L395-F576 HydrophobicContact CD1-CZ 3.62Å; L395-F576 HydrophobicContact CD2-CE2 4.15Å; L395-F576 HydrophobicContact CD2-CZ 3.83Å; L395-F576 HydrophobicContact CG-CZ 4.4Å
396N78.1Confident69.7Low71 Ų7165.1 Ų65.138%0.3834%0.34SS..Hα-helixtrans-62.6-24.2179.2-62-13000113W392 S400W392-N396 VanDerWaalsContact CZ2-ND2 3.29Å; W392-N396 WeakPolarHBondContact CZ2-ND2 3.41Å; W392-N396 VanDerWaalsContact O-CG 3.24Å; W392-N396 PolarHBondContact O-N 2.98Å; W392-N396 PolarHBondContact O-ND2 2.89Å; W392-N396 PolarHBondContact O-OD1 2.91Å; N396-S400 PolarHBondContact O-N 3.16Å
397Q73.3Confident67.6Low47 Ų4769.5 Ų69.522%0.2236%0.359CS..Hα-helixtrans-80.5-41.2174.7-74.7173.70.300112.2I393 F394 L395 D399 S400 D401I393-Q397 WeakPolarHBondContact O-CG 3.24Å; I393-Q397 PolarHBondContact O-N 2.94Å; F394-Q397 PolarHBondContact O-N 3.38Å; L395-Q397 PolarHBondContact O-N 3.33Å; Q397-D399 PolarHBondContact O-N 3.39Å; Q397-S400 PolarHBondContact O-N 3.02Å; Q397-S400 PolarHBondContact O-OG 3.34Å; Q397-D401 VanDerWaalsContact O-CG 3.29Å; Q397-D401 PolarHBondContact O-N 2.93Å
398S64.9Low65.5Low51 Ų5174 Ų7436%0.35738%0.382SS..Hα-helixtrans-62.6-32.717444.80000112.6F394 L395 N402F394-S398 PolarHBondContact O-N 3.21Å; F394-S398 PolarHBondContact O-OG 3.46Å; L395-S398 PolarHBondContact O-N 2.99Å; L395-S398 VanDerWaalsContact O-N 3.17Å; L395-S398 PolarHBondContact O-OG 2.65Å; S398-N402 VanDerWaalsContact O-CG 3.28Å; S398-N402 PolarHBondContact O-N 3.31Å; S398-N402 PolarHBondContact O-ND2 2.66Å
399D57.7Low63.7Low108 Ų10877.9 Ų77.958%0.57840%0.401SS*.Hα-helixtrans-73.3-30.5178-66.1-14.6000112.4L395 Q397L395-D399 PolarHBondContact O-N 3.19Å; L395-D399 VanDerWaalsContact O-N 3.09Å; Q397-D399 PolarHBondContact O-N 3.39Å
400S52.5Low61.5Low48 Ų4877.3 Ų77.334%0.33640%0.403SS..Hα-helixtrans-72.2-46.5172.357.70000112.4N396 Q397 N402 S403 D404N396-S400 PolarHBondContact O-N 3.16Å; Q397-S400 PolarHBondContact O-N 3.02Å; Q397-S400 PolarHBondContact O-OG 3.34Å; S400-N402 VanDerWaalsContact C-N 3.34Å; S400-N402 PolarHBondContact O-N 3.17Å; S400-S403 PolarHBondContact O-N 3.16Å; S400-S403 PolarHBondContact O-OG 3.12Å; S400-D404 PolarHBondContact O-N 2.84Å
401D51Low59.6Low102 Ų10279.4 Ų79.455%0.54542%0.418SS..Hα-helixtrans-63.8-40.2-173.4-65.6-0.5000111.3Q397 S403 D404 D405Q397-D401 VanDerWaalsContact O-CG 3.29Å; Q397-D401 PolarHBondContact O-N 2.93Å; D401-S403 VanDerWaalsContact C-N 3.29Å; D401-S403 PolarHBondContact O-N 3.04Å; D401-D404 PolarHBondContact O-N 3.19Å; D401-D405 PolarHBondContact O-N 2.92Å
402N49Very low57.9Low98 Ų9884.7 Ų84.752%0.52444%0.441SS..Hα-helixtrans-60.2-35.9173.7-71.4-34.4000112.8S398 S400 D404 D405 D406S398-N402 VanDerWaalsContact O-CG 3.28Å; S398-N402 PolarHBondContact O-N 3.31Å; S398-N402 PolarHBondContact O-ND2 2.66Å; S400-N402 VanDerWaalsContact C-N 3.34Å; S400-N402 PolarHBondContact O-N 3.17Å; N402-D404 VanDerWaalsContact C-N 3.34Å; N402-D404 PolarHBondContact O-N 3.45Å; N402-D405 PolarHBondContact O-N 2.87Å; N402-D406 PolarHBondContact O-N 2.74Å
403S46.4Very low56Low59 Ų5983.9 Ų83.941%0.41344%0.442SS..Hα-helixtrans-74.1-22.1-17674.70000114.3S400 D401 Q407S400-S403 PolarHBondContact O-N 3.16Å; S400-S403 PolarHBondContact O-OG 3.12Å; D401-S403 VanDerWaalsContact C-N 3.29Å; D401-S403 PolarHBondContact O-N 3.04Å; S403-Q407 WeakPolarHBondContact O-CG 3.39Å; S403-Q407 PolarHBondContact O-NE2 3.31Å
404D46.8Very low54.1Low110 Ų11086.9 Ų86.959%0.58846%0.457SS*.Hα-helixtrans-83.7-40.5171.4-80-15.4000111.1S400 D401 N402 Q407 M408S400-D404 PolarHBondContact O-N 2.84Å; D401-D404 PolarHBondContact O-N 3.19Å; N402-D404 VanDerWaalsContact C-N 3.34Å; N402-D404 PolarHBondContact O-N 3.45Å; D404-Q407 PolarHBondContact O-N 3.46Å; D404-M408 PolarHBondContact O-N 2.97Å
405D46.2Very low52.5Low100 Ų10090.5 Ų90.554%0.53548%0.478SS..Hα-helixtrans-66.5-39.4177.9-98.2-19.5000112.4D401 N402 Q407 M408 I409D401-D405 PolarHBondContact O-N 2.92Å; N402-D405 PolarHBondContact O-N 2.87Å; D405-Q407 VanDerWaalsContact C-N 3.29Å; D405-Q407 PolarHBondContact O-N 2.91Å; D405-M408 CarbonylContact O-C 3.55Å; D405-M408 PolarHBondContact O-N 2.92Å; D405-I409 WeakPolarHBondContact O-CG1 3.5Å; D405-I409 PolarHBondContact O-N 3.31Å
406D45.6Very low50.7Low112 Ų11291 Ų9160%0.59949%0.485SS*.Hα-helixtrans-61.5-36174.1-90.7-23.9000112.1N402 I409 L410N402-D406 PolarHBondContact O-N 2.74Å; D406-I409 PolarHBondContact O-N 3.32Å; D406-L410 WeakPolarHBondContact O-CB 3.41Å; D406-L410 PolarHBondContact O-N 2.79Å
407Q44.8Very low49Very low126 Ų12692.4 Ų92.459%0.58949%0.493SS*.Hα-helixtrans-69.3-34.8172.2-73.5178.769.300112.2S403 D404 D405 L410 S411S403-Q407 WeakPolarHBondContact O-CG 3.39Å; S403-Q407 PolarHBondContact O-NE2 3.31Å; D404-Q407 PolarHBondContact O-N 3.46Å; D405-Q407 VanDerWaalsContact C-N 3.29Å; D405-Q407 PolarHBondContact O-N 2.91Å; Q407-L410 PolarHBondContact O-N 3.44Å; Q407-S411 PolarHBondContact O-N 3.31Å; Q407-S411 PolarHBondContact O-OG 3.28Å
408M43.7Very low47.3Very low103 Ų10396.8 Ų96.851%0.50751%0.511SS..Hα-helixtrans-71.6-30.3174.7-159.9-174.4-93.600112.3D404 D405 S411 K412D404-M408 PolarHBondContact O-N 2.97Å; D405-M408 CarbonylContact O-C 3.55Å; D405-M408 PolarHBondContact O-N 2.92Å; M408-S411 WeakPolarHBondContact CA-OG 3.21Å; M408-S411 PolarHBondContact O-OG 3.24Å; M408-S411 VanDerWaalsContact O-OG 3.12Å; M408-K412 WeakPolarHBondContact O-CB 3.31Å; M408-K412 WeakPolarHBondContact O-CG 3.35Å; M408-K412 PolarHBondContact O-N 2.88Å
409I50.1Low46Very low99 Ų99101.4 Ų101.451%0.50853%0.531SS..Hα-helixtrans-73.1-41.8172.6-68.3165.3000110.6D405 D406 K412 K413D405-I409 WeakPolarHBondContact O-CG1 3.5Å; D405-I409 PolarHBondContact O-N 3.31Å; D406-I409 PolarHBondContact O-N 3.32Å; I409-K412 PolarHBondContact O-N 3.44Å; I409-K413 PolarHBondContact O-N 3.48Å
410L43.4Very low44.8Very low107 Ų107100.2 Ų100.256%0.5653%0.531SS*.Hα-helixtrans-63.5-43.4177.9-16968.3000112.1D406 Q407 K413 I414D406-L410 WeakPolarHBondContact O-CB 3.41Å; D406-L410 PolarHBondContact O-N 2.79Å; Q407-L410 PolarHBondContact O-N 3.44Å; L410-K413 PolarHBondContact O-N 3.37Å; L410-I414 HydrophobicContact CG-CD1 4.36Å; L410-I414 WeakPolarHBondContact O-CG1 3.26Å; L410-I414 PolarHBondContact O-N 2.99Å; L410-I414 VanDerWaalsContact O-N 3.12Å
411S45.7Very low43.8Very low55 Ų55105 Ų10539%0.38555%0.553SS.*Hα-helixtrans-64.7-41.6175.147.90000112.5Q407 M408 K413 I414 D415Q407-S411 PolarHBondContact O-N 3.31Å; Q407-S411 PolarHBondContact O-OG 3.28Å; M408-S411 WeakPolarHBondContact CA-OG 3.21Å; M408-S411 PolarHBondContact O-OG 3.24Å; M408-S411 VanDerWaalsContact O-OG 3.12Å; S411-K413 VanDerWaalsContact C-N 3.31Å; S411-K413 PolarHBondContact O-N 3.16Å; S411-I414 PolarHBondContact O-N 3.49Å; S411-D415 PolarHBondContact O-N 2.83Å; S411-D415 VanDerWaalsContact O-N 3.09Å
412K47.6Very low42.7Very low137 Ų137104 Ų10460%0.59655%0.553SS**Hα-helixtrans-61.5-32.7173.3-79.9171.6-178.8159.60114M408 I409 S416M408-K412 WeakPolarHBondContact O-CB 3.31Å; M408-K412 WeakPolarHBondContact O-CG 3.35Å; M408-K412 PolarHBondContact O-N 2.88Å; I409-K412 PolarHBondContact O-N 3.44Å; K412-S416 PolarHBondContact O-N 3.44Å; K412-S416 PolarHBondContact O-OG 3.2Å
413K45.2Very low41.7Very low133 Ų133107.4 Ų107.458%0.57857%0.572SS**Hα-helixtrans-67.7-43.9171.8-97.7-176.1171.5-178.80112.4I409 L410 S411 D415 S416 D417I409-K413 PolarHBondContact O-N 3.48Å; L410-K413 PolarHBondContact O-N 3.37Å; S411-K413 VanDerWaalsContact C-N 3.31Å; S411-K413 PolarHBondContact O-N 3.16Å; K413-D415 PolarHBondContact O-N 2.83Å; K413-S416 WeakPolarHBondContact CA-OG 3.16Å; K413-S416 PolarHBondContact O-N 3.42Å; K413-S416 VanDerWaalsContact O-N 3.14Å; K413-S416 PolarHBondContact O-OG 3.26Å; K413-D417 PolarHBondContact O-N 3.09Å
414I45Very low40.7Very low88 Ų88109.7 Ų109.745%0.45159%0.588SS.*Hα-helixtrans-62.2-28.7178-68.4164.5000111.9L410 S411 K418L410-I414 HydrophobicContact CG-CD1 4.36Å; L410-I414 WeakPolarHBondContact O-CG1 3.26Å; L410-I414 PolarHBondContact O-N 2.99Å; L410-I414 VanDerWaalsContact O-N 3.12Å; S411-I414 PolarHBondContact O-N 3.49Å; I414-K418 WeakPolarHBondContact O-CD 3.01Å; I414-K418 WeakPolarHBondContact O-CG 3.33Å
415D45.4Very low39.8Very low99 Ų99109.2 Ų109.253%0.52959%0.593SS.*Hα-helixtrans-87.2-27.1174.2-70.5-20.7000113.8S411 K413 K418S411-D415 PolarHBondContact O-N 2.83Å; S411-D415 VanDerWaalsContact O-N 3.09Å; K413-D415 PolarHBondContact O-N 2.83Å; D415-K418 IonicContact OD1-NZ 3Å
416S43.5Very low39.1Very low59 Ų59113.5 Ų113.541%0.41361%0.61SS.*Hα-helixtrans-70.1-41.7171.962.20000112.5K412 K413 K418 L419K412-S416 PolarHBondContact O-N 3.44Å; K412-S416 PolarHBondContact O-OG 3.2Å; K413-S416 WeakPolarHBondContact CA-OG 3.16Å; K413-S416 PolarHBondContact O-N 3.42Å; K413-S416 VanDerWaalsContact O-N 3.14Å; K413-S416 PolarHBondContact O-OG 3.26Å; S416-K418 PolarHBondContact O-N 3.25Å; S416-L419 WeakPolarHBondContact O-CB 3.48Å; S416-L419 PolarHBondContact O-N 2.85Å
417D40.6Very low38.1Very low100 Ų100115 Ų11554%0.53562%0.617SS.*G310 helixtrans-73-20.9-173.7-60.4-2.7000111.5K413 L419 S420K413-D417 PolarHBondContact O-N 3.09Å; D417-L419 VanDerWaalsContact C-N 3.3Å; D417-S420 PolarHBondContact O-OG 3.01Å
418K39.4Very low37.2Very low139 Ų139115 Ų11560%0.60462%0.621SS**G310 helixtrans-76.6-11.7169.2-73.1172.5-170.9160.90114.3I414 D415 S416I414-K418 WeakPolarHBondContact O-CD 3.01Å; I414-K418 WeakPolarHBondContact O-CG 3.33Å; D415-K418 IonicContact OD1-NZ 3Å; S416-K418 PolarHBondContact O-N 3.25Å
419L36.5Very low36.6Very low147 Ų147117.5 Ų117.577%0.7764%0.637SS**G310 helixtrans-99.4-4.5179.9-90.3160.9000113.6S416 D417S416-L419 WeakPolarHBondContact O-CB 3.48Å; S416-L419 PolarHBondContact O-N 2.85Å; D417-L419 VanDerWaalsContact C-N 3.3Å
420S33.6Very low35.5Very low83 Ų83119.7 Ų119.758%0.5864%0.644SS**THydrogen-bonded Turntrans-92-28.9173.240.40000114.4D417 S422D417-S420 PolarHBondContact O-OG 3.01Å; S420-S422 VanDerWaalsContact C-N 3.32Å; S420-S422 PolarHBondContact O-N 3.27Å
421D30.8Very low34.8Very low149 Ų149121.9 Ų121.980%0.79765%0.651SS**SBendtrans-92.435.5-172.1-81.7-1.8000114.4
422S27Very low34Very low80 Ų80125.3 Ų125.356%0.55966%0.664SS**  trans-154.9110.5160.753.80000112.6S420S420-S422 VanDerWaalsContact C-N 3.32Å; S420-S422 PolarHBondContact O-N 3.27Å
423N27.8Very low33.1Very low170 Ų170125.4 Ų125.491%0.90967%0.667SS**  trans173100.7138.9-92.1-46.3000110.8
424S25.4Very low32.4Very low108 Ų108125.8 Ų125.876%0.75567%0.669SS**  trans-129.4154.1159.461.50000109
425S29Very low31.7Very low100 Ų100128.5 Ų128.570%0.69968%0.683SS**SBendtrans63.9101.8-179.254.30000119.3
426Q30.8Very low31.2Very low189 Ų189129.1 Ų129.188%0.88369%0.69SS**  83.8137.7120.3-71.1174.3-41.800123.6
427L25.8Very low30.8Very low145 Ų145132.9 Ų132.976%0.75971%0.706SS**  trans-37.6152.4173.9-86.260000120
428D25.8Very low30.5Very low125 Ų125134.7 Ų134.767%0.66872%0.715SS**  trans54.8113.6137.8-52.2-12.2000120.5
429N31Very low30.2Very low155 Ų155135 Ų13583%0.82972%0.724SS**  -169.8155.1100.3-103.9-72.5000116.7
430H26.9Very low30.2Very low145 Ų145132.6 Ų132.667%0.67173%0.725SS**  trans-17.4156.8166-98.7-105.5000124
431H28.6Very low30Very low153 Ų153139.7 Ų139.771%0.70874%0.739SS**  trans74.4149146.3-75.5-43.2000119.8
432I27.6Very low30Very low128 Ų128140 Ų14066%0.65674%0.74SS**  cis-166.1157.8-18.6-154.1178.4000110.2
433E29.4Very low30.3Very low138 Ų138142.8 Ų142.865%0.64575%0.754SS**  trans65.3158.1164.3-66-155.6144.200118.1
434K30.7Very low30.3Very low142 Ų142141.4 Ų141.462%0.61775%0.746SS**  cis-163.5146.4-7.4-120.2174.6-178.2136.50110.7
435L30.4Very low30.6Very low144 Ų144142 Ų14275%0.75474%0.741SS**  trans63.2163.7152.1-57.1166.7000115.9
436V35.1Very low30.6Very low113 Ų113143 Ų14369%0.68574%0.738SS**  cis-161.4163.9-4.4110.50000105.8
437D35Very low30.6Very low137 Ų137141.5 Ų141.573%0.73373%0.732SS**  cis-179.2152.8-35.1-90.5-2.2000104.3
438D34.1Very low30.9Very low138 Ų138140.6 Ų140.674%0.73873%0.732SS**  cis-159.9-170.3-11.3177.729.6000106.3
439N33.3Very low31Very low146 Ų146141.8 Ų141.878%0.78174%0.737SS**  trans92.8132177.3-53.3-85000114.8
440A35.3Very low31.1Very low96 Ų96146.5 Ų146.579%0.79374%0.743SS**  cis-140.61448.200000114.2
441R30.1Very low31.2Very low232 Ų232148 Ų14888%0.87575%0.75SS**  trans-81.7164.8155.4-55.4171.9175.6172.7-1.9108.2
442L31.2Very low31.3Very low156 Ų156152.7 Ų152.782%0.81776%0.762SS**  cis-129.1175.15.2-79.491.1000107.3
443T32.5Very low31.3Very low138 Ų138151.3 Ų151.385%0.84776%0.764SS**  cis-143.5164.234.348.10000113.4
444N28.8Very low31.5Very low142 Ų142154.9 Ų154.976%0.75978%0.777SS**  trans-127.8174.5-164.1-158.83.1000112.8
445N31.9Very low31.3Very low120 Ų120154.2 Ų154.264%0.64279%0.785SS**  trans86.3109.1162.4-59-22.7000119.6
446N29.1Very low31.4Very low121 Ų121156.9 Ų156.965%0.64779%0.79SS**  44.8145.797.9-58-24.6000119.2
447Q29.5Very low31.2Very low158 Ų158156.3 Ų156.374%0.73879%0.792SS**  cis-175.4177.4-5.4-108.8173.56.500108
448T32.8Very low30.8Very low125 Ų125156.2 Ų156.277%0.76780%0.796SS**  trans108.584.9155.7700000120.4
449I28.7Very low30.7Very low151 Ų151156.2 Ų156.277%0.77480%0.8SS**  21.5124123.8-53.4167.6000117.9
450R31.8Very low30.4Very low253 Ų253155.4 Ų155.496%0.95579%0.792SS**  trans-144.5109.1138.9-127.5178.2-171.8-179.44.2111.9
451Q30Very low30.1Very low176 Ų176160.7 Ų160.782%0.82280%0.797SS**  trans-80.8153.7169.7-69.4179.9-17.100111.1
452R29.8Very low29.9Very low253 Ų253157.1 Ų157.196%0.95579%0.788SS**  trans-151119.2145-144.3174.6-167.1177.34.6111.2
453S28.2Very low29.9Very low99 Ų99155.1 Ų155.169%0.69279%0.787SS**  trans-95.3161.3177.252.30000111.9
454K33Very low29.6Very low212 Ų212155.6 Ų155.692%0.92278%0.783SS**  trans-144134.9154.6-99.5-172.6176.4-179.70108.7
455T27.9Very low29.7Very low128 Ų128155.2 Ų155.279%0.78579%0.785SS**  trans-130.3136.3-173.3-45.90000109.8
456K32.7Very low29.3Very low200 Ų200156 Ų15687%0.8779%0.789SS**  trans-179141.9160.9-102.4172.4-178.3-171.10107
457S30Very low29.4Very low102 Ų102159.8 Ų159.871%0.71380%0.803SS**  cis-161.4150.7-10.832.70000109.3
458V27.4Very low29.2Very low135 Ų135163.3 Ų163.382%0.81881%0.809SS**  trans-72.5140.4175.6177.10000110.6
459V31Very low28.9Very low138 Ų138165.8 Ų165.884%0.83681%0.812SS**  trans-129.5125.7154.9176.50000107.6
460E26.6Very low28.8Very low128 Ų128165.5 Ų165.560%0.59881%0.812SS**  trans-92.8140.3-178.1-168178.2-175.300110.5K462E460-K462 WeakPolarHBondContact OE1-CE 3.47Å; E460-K462 IonicContact OE1-NZ 3.42Å; E460-K462 PolarHBondContact OE1-NZ 2.9Å
461K29.2Very low28.5Very low207 Ų207161.5 Ų161.590%0.981%0.81SS**  trans-145.992.4160.3-110.7-173.8-179.2-176.10110.7
462K26.6Very low28.3Very low158 Ų158162 Ų16269%0.68781%0.81SS**  trans-79.6133.4159.9-69174.6178.6124.20108.6E460E460-K462 WeakPolarHBondContact OE1-CE 3.47Å; E460-K462 IonicContact OE1-NZ 3.42Å; E460-K462 PolarHBondContact OE1-NZ 2.9Å
463S30.4Very low28.1Very low113 Ų113157.4 Ų157.479%0.7980%0.804SS**  trans-130.793161.253.90000107.7
464I25.7Very low28.1Very low149 Ų149162 Ų16276%0.76482%0.815SS**  trans-87116.7172.4-62.5168.6000106.7
465V32Very low27.7Very low133 Ų133161.9 Ų161.981%0.80681%0.814SS**  trans-126.7142.1164.1177.80000106.5
466N24.4Very low27.6Very low138 Ų138164.3 Ų164.374%0.73882%0.817SS**  trans-69.5134.1-170.3-50.7-64.8000111.9
467E30.3Very low27.3Very low199 Ų199162.7 Ų162.793%0.9381%0.812SS**  trans-132.4121.9137.2-112.5162.2-15400107.5
468R24.3Very low27.2Very low232 Ų232167.4 Ų167.488%0.87582%0.822SS**  trans-115.6101.1175.3-82.2-178.6172.9174.2-2.9106.9
469E27.8Very low27Very low177 Ų177165.7 Ų165.783%0.82782%0.816SS**  trans-162.2158.8155.7-118.7157.6-146.100111.7
470N26.3Very low26.9Very low145 Ų145165.2 Ų165.278%0.77581%0.809SS**  trans64.844.5167.7-55.7-29.1000118.5K472N470-K472 PolarHBondContact O-N 3.16Å
471D25.1Very low26.8Very low170 Ų170164.2 Ų164.291%0.90982%0.817SS**  trans-88.677.6153.2-142.8-14.7000109.3
472K26.5Very low27Very low186 Ų186159.2 Ų159.281%0.80981%0.805SS**  trans-168.8139.3171.2-109.7159.9-170.21750111.6N470N470-K472 PolarHBondContact O-N 3.16Å
473N24.8Very low27.1Very low157 Ų157159.5 Ų159.584%0.8481%0.813SS**  trans71.266.7173.1-56.6-3.5000117.3
474E27.2Very low27.4Very low196 Ų196162.4 Ų162.492%0.91681%0.808SS**  trans-138.369.7148.2-140.4168.8-131.700111.4
475K25.9Very low27.7Very low208 Ų208160.9 Ų160.990%0.90481%0.811SS**  trans-141.250.6170.7-85.2-162.3171.4-172.30110.9
476Q25.3Very low28.2Very low180 Ų180157.8 Ų157.884%0.84180%0.795SS**  trans-161.177.7175.9-118.4169.20.300111.4
477H27.2Very low30.2Very low166 Ų166156.4 Ų156.477%0.76980%0.803SS**  trans-151.366.4160.2-102.2-71.8000109.2D480H477-D480 IonicContact CE1-OD2 3.21Å; H477-D480 IonicContact ND1-OD2 2.66Å; H477-D480 PolarHBondContact ND1-OD2 3.24Å
478E26.8Very low32.1Very low200 Ų200151.1 Ų151.194%0.93578%0.78SS**  trans-134.746.4173.4-163.7169.9-135.700109
479S24.5Very low34.7Very low99 Ų99142.7 Ų142.769%0.69276%0.755SS**  trans-152.225.9-175.766.40000114.2
480D27.9Very low37.1Very low128 Ų128137.6 Ų137.668%0.68474%0.738SS**  trans-9877.9170.8-76.8-62.8000109.8H477 P482H477-D480 IonicContact CE1-OD2 3.21Å; H477-D480 IonicContact ND1-OD2 2.66Å; H477-D480 PolarHBondContact ND1-OD2 3.24Å; D480-P482 WeakPolarHBondContact O-CD 3.41Å
481S24.3Very low39.6Very low108 Ų108133.9 Ų133.976%0.75571%0.713SS**  trans-93.194.4165.5500000109.4L483S481-L483 PolarHBondContact O-N 3.46Å; S481-L483 VanDerWaalsContact O-N 3.14Å
482P33.8Very low42.3Very low102 Ų102128.8 Ų128.866%0.66269%0.685SS**  trans-67.3117.9177.829-35.2000109.3D480 Y484D480-P482 WeakPolarHBondContact O-CD 3.41Å; P482-Y484 HydrophobicContact CB-CD2 4.22Å; P482-Y484 PolarHBondContact O-N 2.88Å
483L29Very low45Very low163 Ų163123.2 Ų123.285%0.85366%0.664SS**  trans-72.260.3-175.7-167.593.5000112.5S481 S485S481-L483 PolarHBondContact O-N 3.46Å; S481-L483 VanDerWaalsContact O-N 3.14Å; L483-S485 PolarHBondContact O-N 3.47Å
484Y36.6Very low47.9Very low175 Ų175115.8 Ų115.869%0.68662%0.624SS**  trans-91.470.4177.5-90.6-70.6000112.5P482 S486P482-Y484 HydrophobicContact CB-CD2 4.22Å; P482-Y484 PolarHBondContact O-N 2.88Å; Y484-S486 PolarHBondContact O-N 3.39Å
485S31.8Very low50.6Low117 Ų117107.6 Ų107.682%0.81859%0.587SS**  trans-73.569.7161.360.30000110.6L483L483-S485 PolarHBondContact O-N 3.47Å
486S43.1Very low53.5Low67 Ų67101.3 Ų101.347%0.46956%0.562SS.*  trans-137.2122.5174.359.20000110.9Y484 I488Y484-S486 PolarHBondContact O-N 3.39Å; S486-I488 PolarHBondContact O-N 2.98Å
487A65.4Low56.5Low110 Ų11094.4 Ų94.491%0.90953%0.531SS*.SBendtrans-74.422.4-172.500000115.1
488I70.4Confident59.4Low87 Ų8787 Ų8745%0.44650%0.496SS..SBendtrans-132.1113.9-173.9-56.5178.8000108.7S486 I492S486-I488 PolarHBondContact O-N 2.98Å; I488-I492 HydrophobicContact CG2-CB 3.89Å; I488-I492 HydrophobicContact CG2-CG2 3.91Å
489P79.1Confident62.4Low55 Ų5580 Ų8036%0.35747%0.465SS..  trans-54.9143.5174.3-2834.8000112.8Y491 I492 L493P489-Y491 HydrophobicContact CB-CD1 3.59Å; P489-Y491 HydrophobicContact CB-CE1 3.35Å; P489-Y491 HydrophobicContact CG-CE1 4.06Å; P489-Y491 PolarHBondContact O-N 3.22Å; P489-Y491 VanDerWaalsContact O-N 3.08Å; P489-I492 HydrophobicContact CB-CG1 4.36Å; P489-I492 HydrophobicContact CG-CD1 4.28Å; P489-I492 WeakPolarHBondContact O-CB 3.34Å; P489-I492 PolarHBondContact O-N 3.45Å; P489-L493 PolarHBondContact O-N 3.32Å
490P77.4Confident65.6Low71 Ų7179.1 Ų79.146%0.46146%0.455SS..Hα-helixtrans-62.8-24.8-171.923.9-34.5000113.6L493 C494 L568 A571P490-L493 PolarHBondContact O-N 3.38Å; P490-C494 PolarHBondContact O-N 2.89Å; P490-L568 HydrophobicContact CB-CD2 3.62Å; P490-A571 HydrophobicContact CB-CB 3.9Å; P490-A571 HydrophobicContact CG-CB 4.23Å
491Y78.6Confident68.7Low67 Ų6774.2 Ų74.226%0.26343%0.429SS..Hα-helixtrans-69.4-35.7174.473.4-94.2000112.3P489 C494 L495 A571P489-Y491 HydrophobicContact CB-CD1 3.59Å; P489-Y491 HydrophobicContact CB-CE1 3.35Å; P489-Y491 HydrophobicContact CG-CE1 4.06Å; P489-Y491 PolarHBondContact O-N 3.22Å; P489-Y491 VanDerWaalsContact O-N 3.08Å; Y491-C494 PolarHBondContact O-N 3.43Å; Y491-L495 HydrophobicContact CD2-CD1 4.17Å; Y491-L495 WeakPolarHBondContact O-CD1 3.47Å; Y491-L495 WeakPolarHBondContact O-CG 3.34Å; Y491-L495 PolarHBondContact O-N 3.35Å; Y491-A571 WeakPolarHBondContact CA-O 3.43Å; Y491-A571 WeakPolarHBondContact CB-O 3.41Å
492I82.7Confident71.9Confident62 Ų6269 Ų6932%0.31839%0.393SS..Hα-helixtrans-70.1-41.4174.8-57.2-170.9000109.7I488 P489 C494 L495 I496I488-I492 HydrophobicContact CG2-CB 3.89Å; I488-I492 HydrophobicContact CG2-CG2 3.91Å; P489-I492 HydrophobicContact CB-CG1 4.36Å; P489-I492 HydrophobicContact CG-CD1 4.28Å; P489-I492 WeakPolarHBondContact O-CB 3.34Å; P489-I492 PolarHBondContact O-N 3.45Å; I492-C494 VanDerWaalsContact C-N 3.31Å; I492-C494 PolarHBondContact O-N 3.11Å; I492-L495 PolarHBondContact O-N 3.3Å; I492-L495 VanDerWaalsContact O-N 3.17Å; I492-I496 HydrophobicContact CG2-CD1 3.91Å; I492-I496 HydrophobicContact CG2-CG1 4.39Å; I492-I496 WeakPolarHBondContact O-CG1 3.4Å; I492-I496 PolarHBondContact O-N 3.18Å
493L83.9Confident74.7Confident69 Ų6968.1 Ų68.136%0.36138%0.379SS..Hα-helixtrans-58.6-42.8173-177.360.4000111.6P489 P490 I496 L497 L568P489-L493 PolarHBondContact O-N 3.32Å; P490-L493 PolarHBondContact O-N 3.38Å; L493-I496 PolarHBondContact O-N 2.75Å; L493-L497 HydrophobicContact CD1-CD1 4.37Å; L493-L497 HydrophobicContact CG-CD1 4.09Å; L493-L497 WeakPolarHBondContact O-CB 3.31Å; L493-L497 WeakPolarHBondContact O-CD1 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.3Å; L493-L497 WeakPolarHBondContact O-CG 3.21Å; L493-L497 PolarHBondContact O-N 3.02Å; L493-L568 HydrophobicContact CD2-CD1 4.47Å; L493-L568 HydrophobicContact CD2-CD2 4.44Å
494C84.1Confident77.8Confident1 Ų164 Ų641%0.00736%0.364CS..Hα-helixtrans-64.4-39175.1-166.50000112.8P490 Y491 I492 L497 R498 L568P490-C494 PolarHBondContact O-N 2.89Å; Y491-C494 PolarHBondContact O-N 3.43Å; I492-C494 VanDerWaalsContact C-N 3.31Å; I492-C494 PolarHBondContact O-N 3.11Å; C494-L497 PolarHBondContact O-N 2.95Å; C494-R498 WeakPolarHBondContact O-CB 3.41Å; C494-R498 WeakPolarHBondContact O-CD 3.34Å; C494-R498 WeakPolarHBondContact O-CG 3.25Å; C494-R498 PolarHBondContact O-N 2.98Å; C494-L568 HydrophobicContact CB-CD1 4.43Å
495L84.1Confident80.4Confident24 Ų2457.2 Ų57.213%0.12634%0.339CS..Hα-helixtrans-64.8-42.7175.1-75.8158.6000112.2Y491 I492 R498 L499 F576 T577 L580Y491-L495 HydrophobicContact CD2-CD1 4.17Å; Y491-L495 WeakPolarHBondContact O-CD1 3.47Å; Y491-L495 WeakPolarHBondContact O-CG 3.34Å; Y491-L495 PolarHBondContact O-N 3.35Å; I492-L495 PolarHBondContact O-N 3.3Å; I492-L495 VanDerWaalsContact O-N 3.17Å; L495-R498 PolarHBondContact O-N 3.1Å; L495-L499 PolarHBondContact O-N 3.33Å; L495-F576 HydrophobicContact CD1-CB 4.33Å; L495-T577 HydrophobicContact CD2-CG2 3.66Å; L495-L580 HydrophobicContact CD2-CB 4.44Å; L495-L580 HydrophobicContact CD2-CD2 3.66Å
496I87.8Confident83.2Confident76 Ų7651.7 Ų51.739%0.3930%0.3SS..Hα-helixtrans-61.7-47.3175-68.7166.3000110.2I492 L493 R498 L499 T500I492-I496 HydrophobicContact CG2-CD1 3.91Å; I492-I496 HydrophobicContact CG2-CG1 4.39Å; I492-I496 WeakPolarHBondContact O-CG1 3.4Å; I492-I496 PolarHBondContact O-N 3.18Å; L493-I496 PolarHBondContact O-N 2.75Å; I496-R498 PolarHBondContact O-N 3.28Å; I496-L499 PolarHBondContact O-N 3.06Å; I496-T500 HydrophobicContact CG2-CG2 4.3Å; I496-T500 WeakPolarHBondContact O-CG2 3.29Å; I496-T500 PolarHBondContact O-N 3.42Å; I496-T500 PolarHBondContact O-OG1 3.22Å
497L87.9Confident85.5Confident36 Ų3654.6 Ų54.619%0.18830%0.304CS..Hα-helixtrans-60.4-43.4177.4-74.6164.2000112.4L493 C494 L499 T500 L501 I562 L566 L568L493-L497 HydrophobicContact CD1-CD1 4.37Å; L493-L497 HydrophobicContact CG-CD1 4.09Å; L493-L497 WeakPolarHBondContact O-CB 3.31Å; L493-L497 WeakPolarHBondContact O-CD1 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.3Å; L493-L497 WeakPolarHBondContact O-CG 3.21Å; L493-L497 PolarHBondContact O-N 3.02Å; C494-L497 PolarHBondContact O-N 2.95Å; L497-L499 PolarHBondContact O-N 2.91Å; L497-T500 PolarHBondContact O-OG1 3.33Å; L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 PolarHBondContact O-N 3Å; L497-L501 VanDerWaalsContact O-N 3.09Å; L497-I562 HydrophobicContact CD1-CG2 4.11Å; L497-I562 HydrophobicContact CD2-CG2 4.46Å; L497-L566 HydrophobicContact CD1-CD1 3.54Å; L497-L568 HydrophobicContact CD1-CD1 4Å
498R88.3Confident86.7Confident11 Ų1153.5 Ų53.54%0.04228%0.283CS..Hα-helixtrans-56.3-48.7174-73.1158.7162.3-72.9-0.1111C494 L495 I496 C502 M559 D572 L708 L711C494-R498 WeakPolarHBondContact O-CB 3.41Å; C494-R498 WeakPolarHBondContact O-CD 3.34Å; C494-R498 WeakPolarHBondContact O-CG 3.25Å; C494-R498 PolarHBondContact O-N 2.98Å; L495-R498 PolarHBondContact O-N 3.1Å; I496-R498 PolarHBondContact O-N 3.28Å; R498-C502 PolarHBondContact O-N 3.29Å; R498-C502 PolarHBondContact O-SG 2.89Å; R498-M559 HydrophobicContact CG-CE 3.69Å; R498-D572 IonicContact CZ-OD1 3.77Å; R498-D572 IonicContact CZ-OD2 2.84Å; R498-D572 IonicContact NE-OD1 3.91Å; R498-D572 PolarHBondContact NE-OD1 3.34Å; R498-D572 IonicContact NE-OD2 2.76Å; R498-D572 VanDerWaalsContact NH2-CG 3.33Å; R498-D572 IonicContact NH2-OD1 2.64Å; R498-D572 PolarHBondContact NH2-OD1 3.04Å; R498-D572 VanDerWaalsContact NH2-OD1 3.14Å; R498-D572 IonicContact NH2-OD2 3.29Å; R498-D572 PolarHBondContact NH2-OD2 3.38Å; R498-L708 HydrophobicContact CB-CD1 4.13Å; R498-L711 PolarHBondContact NH1-O 3.48Å; R498-L711 PolarHBondContact NH2-O 2.92Å
499L90.3Very high87.7Confident52 Ų5249.5 Ų49.527%0.27226%0.262SS..Hα-helixtrans-62.5-53.4179-93.4165.3000112.6L495 I496 L497 L501 C502 F503 L580 L708L495-L499 PolarHBondContact O-N 3.33Å; I496-L499 PolarHBondContact O-N 3.06Å; L497-L499 PolarHBondContact O-N 2.91Å; L499-L501 VanDerWaalsContact C-N 3.32Å; L499-L501 PolarHBondContact O-N 3.34Å; L499-C502 PolarHBondContact O-N 3.17Å; L499-F503 HydrophobicContact CD2-CD2 4.04Å; L499-F503 HydrophobicContact CD2-CE2 3.79Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å; L499-F503 PolarHBondContact O-N 2.85Å; L499-F503 VanDerWaalsContact O-N 3.1Å; L499-L580 HydrophobicContact CD1-CD1 4.49Å; L499-L580 HydrophobicContact CD1-CD2 3.87Å; L499-L580 HydrophobicContact CG-CD2 4.2Å; L499-L708 HydrophobicContact CD2-CD2 3.97Å; L499-L708 HydrophobicContact CG-CD1 4.48Å
500T92Very high88.2Confident81 Ų8149.7 Ų49.750%0.49726%0.258SS..Hα-helixtrans-64.2-37.3-174.9550000112I496 L497 S504I496-T500 HydrophobicContact CG2-CG2 4.3Å; I496-T500 WeakPolarHBondContact O-CG2 3.29Å; I496-T500 PolarHBondContact O-N 3.42Å; I496-T500 PolarHBondContact O-OG1 3.22Å; L497-T500 PolarHBondContact O-OG1 3.33Å; T500-S504 WeakPolarHBondContact O-CB 3.21Å; T500-S504 PolarHBondContact O-N 3.44Å
501L91.5Very high88.8Confident24 Ų2448.2 Ų48.213%0.12625%0.25CC..Hα-helixtrans-67.2-43.5176.2-112163.2000112.9L497 L499 M505 L555 F558 M559 I562L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 PolarHBondContact O-N 3Å; L497-L501 VanDerWaalsContact O-N 3.09Å; L499-L501 VanDerWaalsContact C-N 3.32Å; L499-L501 PolarHBondContact O-N 3.34Å; L501-M505 VanDerWaalsContact O-CB 3.26Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 PolarHBondContact O-N 2.98Å; L501-L555 HydrophobicContact CB-CD1 4.27Å; L501-L555 HydrophobicContact CD2-CD1 3.74Å; L501-F558 HydrophobicContact CD1-CD1 3.62Å; L501-F558 HydrophobicContact CD1-CE1 3.85Å; L501-F558 HydrophobicContact CD2-CD1 3.71Å; L501-F558 HydrophobicContact CD2-CE1 3.85Å; L501-F558 HydrophobicContact CG-CD1 4.29Å; L501-F558 HydrophobicContact CG-CE1 4.34Å; L501-M559 HydrophobicContact CB-SD 4.4Å; L501-M559 HydrophobicContact CD1-CG 4.33Å; L501-M559 HydrophobicContact CD1-SD 3.52Å; L501-M559 VanDerWaalsContact CD1-SD 3.52Å; L501-I562 HydrophobicContact CD1-CD1 3.55Å
502C92.7Very high89.2Confident0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-62.8-47.5178.7-71.50000112.6R498 L499 M505 G506 S704 L707 L708 L711R498-C502 PolarHBondContact O-N 3.29Å; R498-C502 PolarHBondContact O-SG 2.89Å; L499-C502 PolarHBondContact O-N 3.17Å; C502-M505 PolarHBondContact O-N 3.16Å; C502-G506 PolarHBondContact O-N 2.92Å; C502-S704 WeakPolarHBondContact CB-O 3.49Å; C502-L707 HydrophobicContact CB-CB 4.44Å; C502-L708 HydrophobicContact CB-CB 4.24Å; C502-L708 WeakPolarHBondContact SG-CA 3.41Å; C502-L708 PolarHBondContact SG-N 3.05Å; C502-L708 VanDerWaalsContact SG-N 3.38Å; C502-L711 VanDerWaalsContact SG-CD1 3.6Å
503F93Very high89.4Confident83 Ų8343 Ų4336%0.36423%0.228SC..Hα-helixtrans-74.2-34.2-179.5-80.8-87.8000113L499 M505 G506 F507 C700 L705L499-F503 HydrophobicContact CD2-CD2 4.04Å; L499-F503 HydrophobicContact CD2-CE2 3.79Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å; L499-F503 PolarHBondContact O-N 2.85Å; L499-F503 VanDerWaalsContact O-N 3.1Å; F503-M505 VanDerWaalsContact C-N 3.3Å; F503-M505 PolarHBondContact O-N 3.44Å; F503-G506 PolarHBondContact O-N 3.3Å; F503-F507 WeakPolarHBondContact O-CB 3.17Å; F503-F507 PolarHBondContact O-N 2.97Å; F503-C700 WeakPolarHBondContact CD1-O 3.39Å; F503-C700 WeakPolarHBondContact CE1-O 3.48Å; F503-L705 HydrophobicContact CE2-CD2 4.17Å; F503-L705 HydrophobicContact CZ-CD2 3.83Å; F503-L705 HydrophobicContact CZ-CG 4.06Å
504S92.7Very high89.3Confident77 Ų7744.6 Ų44.654%0.53823%0.232SC..Hα-helixtrans-60.5-41.2169.8-179.60000111.4T500 F507 L508T500-S504 WeakPolarHBondContact O-CB 3.21Å; T500-S504 PolarHBondContact O-N 3.44Å; S504-F507 PolarHBondContact O-N 3.22Å; S504-L508 WeakPolarHBondContact O-CB 3.47Å; S504-L508 PolarHBondContact O-N 3.48Å
505M90.7Very high89.2Confident32 Ų3253 Ų5316%0.15827%0.265CS..Hα-helixtrans-71.2-36.9177.8-160.868.597.200112.7L501 C502 F503 L508 L509 V551 L555 L707L501-M505 VanDerWaalsContact O-CB 3.26Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 PolarHBondContact O-N 2.98Å; C502-M505 PolarHBondContact O-N 3.16Å; F503-M505 VanDerWaalsContact C-N 3.3Å; F503-M505 PolarHBondContact O-N 3.44Å; M505-L508 PolarHBondContact O-N 2.85Å; M505-L508 HydrophobicContact SD-CD2 4.31Å; M505-L509 WeakPolarHBondContact O-CG 3.49Å; M505-L509 PolarHBondContact O-N 2.9Å; M505-V551 HydrophobicContact CE-CG2 4.21Å; M505-V551 HydrophobicContact CG-CB 4.17Å; M505-V551 HydrophobicContact CG-CG1 3.41Å; M505-V551 VanDerWaalsContact CG-CG1 3.41Å; M505-V551 HydrophobicContact CG-CG2 3.7Å; M505-V551 HydrophobicContact SD-CG1 4.39Å; M505-V551 HydrophobicContact SD-CG2 3.65Å; M505-L555 HydrophobicContact CE-CD1 4.06Å; M505-L707 HydrophobicContact CB-CD1 4.45Å; M505-L707 HydrophobicContact CG-CD1 4.41Å
506G91.1Very high89.3Confident0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-62.8-39.7170.900000112.9C502 F503 L509 H510C502-G506 PolarHBondContact O-N 2.92Å; F503-G506 PolarHBondContact O-N 3.3Å; G506-L509 PolarHBondContact O-N 3.36Å; G506-H510 PolarHBondContact O-N 2.95Å
507F91.8Very high88.9Confident128 Ų12849.7 Ų49.756%0.56125%0.248SC*.Hα-helixtrans-66-39.8172.6-178.2-98.5000112.4F503 S504 L509 H510 S511F503-F507 WeakPolarHBondContact O-CB 3.17Å; F503-F507 PolarHBondContact O-N 2.97Å; S504-F507 PolarHBondContact O-N 3.22Å; F507-L509 VanDerWaalsContact C-N 3.33Å; F507-L509 PolarHBondContact O-N 3.24Å; F507-H510 WeakPolarHBondContact O-CB 3.38Å; F507-H510 PolarHBondContact O-N 2.84Å; F507-S511 PolarHBondContact O-N 3.17Å; F507-S511 PolarHBondContact O-OG 3.47Å
508L91.7Very high88.6Confident88 Ų8855.7 Ų55.746%0.46127%0.272SS..Hα-helixtrans-61.9-40.8172.8-178.2144.2000111.7S504 M505 S511 S512 L547S504-L508 WeakPolarHBondContact O-CB 3.47Å; S504-L508 PolarHBondContact O-N 3.48Å; M505-L508 PolarHBondContact O-N 2.85Å; M505-L508 HydrophobicContact SD-CD2 4.31Å; L508-S511 PolarHBondContact O-N 3.46Å; L508-S512 WeakPolarHBondContact O-CB 3.22Å; L508-S512 PolarHBondContact O-N 3.28Å; L508-L547 HydrophobicContact CD2-CD2 4.47Å
509L89.7Confident88.4Confident3 Ų359.6 Ų59.62%0.01629%0.294CS..Hα-helixtrans-63.1-43.6172.5-71.5177.4000111.8M505 G506 F507 S511 S512 L547 I548 V551 T699 T703M505-L509 WeakPolarHBondContact O-CG 3.49Å; M505-L509 PolarHBondContact O-N 2.9Å; G506-L509 PolarHBondContact O-N 3.36Å; F507-L509 VanDerWaalsContact C-N 3.33Å; F507-L509 PolarHBondContact O-N 3.24Å; L509-S511 PolarHBondContact O-N 3.45Å; L509-S512 WeakPolarHBondContact O-CB 3.25Å; L509-S512 PolarHBondContact O-N 3.45Å; L509-S512 PolarHBondContact O-OG 3.48Å; L509-L547 HydrophobicContact CD2-CD2 3.93Å; L509-L547 HydrophobicContact CD2-CG 3.83Å; L509-I548 HydrophobicContact CD1-CG1 4.22Å; L509-I548 HydrophobicContact CD2-CB 4.49Å; L509-I548 HydrophobicContact CD2-CG1 3.68Å; L509-V551 HydrophobicContact CD1-CG1 4.35Å; L509-V551 HydrophobicContact CD2-CG2 4.11Å; L509-V551 HydrophobicContact CG-CG2 4.44Å; L509-T699 HydrophobicContact CB-CG2 4.38Å; L509-T703 HydrophobicContact CD1-CG2 4.44Å
510H90.5Very high88Confident59 Ų5957.3 Ų57.327%0.27328%0.282SS..Hα-helixtrans-57-46.7176176.364.2000112.5G506 F507 P513 W695 T699 C700G506-H510 PolarHBondContact O-N 2.95Å; F507-H510 WeakPolarHBondContact O-CB 3.38Å; F507-H510 PolarHBondContact O-N 2.84Å; H510-P513 WeakPolarHBondContact O-CD 3.41Å; H510-W695 AromaticContact CE1-CD1 3.81Å; H510-W695 AromaticContact ND1-CD1 3.42Å; H510-W695 AromaticContact ND1-NE1 3.49Å; H510-W695 PolarHBondContact ND1-NE1 3.08Å; H510-W695 PolarHBondContact O-NE1 3.45Å; H510-W695 VanDerWaalsContact O-NE1 3.07Å; H510-T699 WeakPolarHBondContact CB-OG1 3.49Å; H510-T699 PolarHBondContact ND1-OG1 3.27Å; H510-C700 VanDerWaalsContact CB-SG 3.55Å
511S89.5Confident87.4Confident40 Ų4056 Ų5628%0.2827%0.272SS..Hα-helixtrans-77.4-18.6179.3-54.30000114.2F507 L508 L509 P513 Y515F507-S511 PolarHBondContact O-N 3.17Å; F507-S511 PolarHBondContact O-OG 3.47Å; L508-S511 PolarHBondContact O-N 3.46Å; L509-S511 PolarHBondContact O-N 3.45Å; S511-P513 WeakPolarHBondContact O-CD 3.5Å; S511-Y515 WeakPolarHBondContact O-CD2 3.38Å
512S88.1Confident87Confident8 Ų859.9 Ų59.96%0.05629%0.292CS..Hα-helixtrans-56.6-32.4-174.272.50000117.2L508 L509 K514 Y515 L516 L547L508-S512 WeakPolarHBondContact O-CB 3.22Å; L508-S512 PolarHBondContact O-N 3.28Å; L509-S512 WeakPolarHBondContact O-CB 3.25Å; L509-S512 PolarHBondContact O-N 3.45Å; L509-S512 PolarHBondContact O-OG 3.48Å; S512-K514 PolarHBondContact O-N 2.66Å; S512-Y515 PolarHBondContact O-N 3Å; S512-L516 WeakPolarHBondContact O-CB 3.37Å; S512-L516 WeakPolarHBondContact O-CG 3.37Å; S512-L516 PolarHBondContact O-N 2.81Å; S512-L547 VanDerWaalsContact CB-CD2 3.41Å
513P86.7Confident86.5Confident12 Ų1263.2 Ų63.28%0.07831%0.309CS..Hα-helixtrans-57-46.3-171.9-28.135.8000114.1H510 S511 Y515 L516 F517 F540 I544 L684 W695H510-P513 WeakPolarHBondContact O-CD 3.41Å; S511-P513 WeakPolarHBondContact O-CD 3.5Å; P513-Y515 VanDerWaalsContact C-N 3.31Å; P513-Y515 PolarHBondContact O-N 3.44Å; P513-L516 PolarHBondContact O-N 2.88Å; P513-F517 WeakPolarHBondContact O-CB 3.37Å; P513-F517 PolarHBondContact O-N 3.45Å; P513-F540 HydrophobicContact CB-CE2 4.22Å; P513-F540 HydrophobicContact CB-CZ 4.13Å; P513-I544 HydrophobicContact CG-CD1 4.05Å; P513-L684 HydrophobicContact CB-CD1 4.18Å; P513-L684 HydrophobicContact CB-CD2 4.04Å; P513-L684 HydrophobicContact CG-CD1 4.41Å; P513-L684 HydrophobicContact CG-CD2 3.68Å; P513-W695 HydrophobicContact CG-CH2 4.34Å; P513-W695 HydrophobicContact CG-CZ2 3.48Å; P513-W695 VanDerWaalsContact CG-CZ2 3.48Å
514K80.3Confident85.7Confident101 Ų10160.3 Ų60.344%0.43930%0.298SS..Hα-helixtrans-64.8-36.1-176.5-54.8-165.6178.7-164.60111.3S512 K518 D688S512-K514 PolarHBondContact O-N 2.66Å; K514-K518 PolarHBondContact O-N 3.37Å; K514-D688 WeakPolarHBondContact CE-OD2 3.39Å; K514-D688 IonicContact NZ-OD1 2.69Å; K514-D688 IonicContact NZ-OD2 2.73Å; K514-D688 PolarHBondContact NZ-OD2 3.3Å
515Y84Confident85Confident178 Ų17862.1 Ų62.170%0.69831%0.305SS*.Hα-helixtrans-75.5-44.5174.7-59-75.5000113.2S511 S512 P513 F517 K518 L519S511-Y515 WeakPolarHBondContact O-CD2 3.38Å; S512-Y515 PolarHBondContact O-N 3Å; P513-Y515 VanDerWaalsContact C-N 3.31Å; P513-Y515 PolarHBondContact O-N 3.44Å; Y515-F517 VanDerWaalsContact C-N 3.32Å; Y515-F517 PolarHBondContact O-N 3.33Å; Y515-K518 PolarHBondContact O-N 3.49Å; Y515-L519 WeakPolarHBondContact O-CB 3.43Å; Y515-L519 PolarHBondContact O-N 3.07Å
516L84.9Confident84.4Confident26 Ų2670 Ų7014%0.13633%0.333CS..Hα-helixtrans-62.7-38.6178.9-77.3173.7000111.9S512 P513 L519 S520 F540 I544 L547S512-L516 WeakPolarHBondContact O-CB 3.37Å; S512-L516 WeakPolarHBondContact O-CG 3.37Å; S512-L516 PolarHBondContact O-N 2.81Å; P513-L516 PolarHBondContact O-N 2.88Å; L516-L519 PolarHBondContact O-N 3.01Å; L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 2.88Å; L516-F540 HydrophobicContact CB-CD2 4.11Å; L516-F540 HydrophobicContact CB-CE2 4.1Å; L516-I544 HydrophobicContact CD1-CB 3.77Å; L516-I544 HydrophobicContact CD1-CD1 4.28Å; L516-I544 HydrophobicContact CD1-CG1 3.77Å; L516-L547 HydrophobicContact CD1-CD2 3.9Å; L516-L547 HydrophobicContact CG-CD2 4.48Å
517F80Confident83.5Confident5 Ų572.8 Ų72.82%0.02235%0.348CS..Hα-helixtrans-70-41.5178.4-162.3-81.8000112D111 I112 P513 Y515 L519 S520 N521 L536 F540D111-F517 HydrophobicContact CB-CD1 4.12Å; D111-F517 WeakPolarHBondContact O-CD1 3.18Å; D111-F517 WeakPolarHBondContact O-CE1 3.29Å; D111-F517 VanDerWaalsContact O-CZ 3.27Å; D111-F517 WeakPolarHBondContact O-CZ 3.39Å; I112-F517 HydrophobicContact CG1-CD2 4.39Å; I112-F517 VanDerWaalsContact O-CZ 3.32Å; I112-F517 WeakPolarHBondContact O-CZ 3.3Å; P513-F517 WeakPolarHBondContact O-CB 3.37Å; P513-F517 PolarHBondContact O-N 3.45Å; Y515-F517 VanDerWaalsContact C-N 3.32Å; Y515-F517 PolarHBondContact O-N 3.33Å; F517-L519 VanDerWaalsContact C-N 3.27Å; F517-L519 PolarHBondContact O-N 2.86Å; F517-S520 WeakPolarHBondContact CA-OG 3.23Å; F517-S520 PolarHBondContact O-N 2.96Å; F517-S520 PolarHBondContact O-OG 3.25Å; F517-N521 WeakPolarHBondContact O-CB 3.05Å; F517-N521 PolarHBondContact O-N 2.78Å; F517-L536 HydrophobicContact CE1-CD2 3.61Å; F517-L536 HydrophobicContact CE1-CG 4.31Å; F517-L536 HydrophobicContact CE2-CD2 4.24Å; F517-L536 HydrophobicContact CE2-CG 4.15Å; F517-L536 HydrophobicContact CZ-CD2 3.36Å; F517-L536 HydrophobicContact CZ-CG 3.76Å; F517-F540 HydrophobicContact CB-CD2 3.89Å; F517-F540 HydrophobicContact CB-CE2 4.13Å; F517-F540 HydrophobicContact CD2-CB 4.06Å; F517-F540 HydrophobicContact CD2-CD1 4.48Å; F517-F540 AromaticContact CD2-CD2 3.76Å; F517-F540 HydrophobicContact CD2-CD2 3.76Å; F517-F540 HydrophobicContact CD2-CE2 4.34Å; F517-F540 AromaticContact CD2-CG 3.84Å; F517-F540 HydrophobicContact CD2-CG 3.84Å; F517-F540 HydrophobicContact CE2-CB 4.47Å; F517-F540 HydrophobicContact CG-CD2 4.32Å
518K81.4Confident82.3Confident161 Ų16174.9 Ų74.970%0.736%0.36SS*.Hα-helixtrans-61-37.2172.5-169.3171.4-173.9170.10112K514 Y515 L522K514-K518 PolarHBondContact O-N 3.37Å; Y515-K518 PolarHBondContact O-N 3.49Å; K518-L522 PolarHBondContact O-N 2.73Å
519L84.3Confident80.9Confident94 Ų9474.9 Ų74.949%0.49237%0.367SS..Hα-helixtrans-69.6-45.7175.5179.461.9000112.5Y515 L516 F517 N521 L522 L523Y515-L519 WeakPolarHBondContact O-CB 3.43Å; Y515-L519 PolarHBondContact O-N 3.07Å; L516-L519 PolarHBondContact O-N 3.01Å; F517-L519 VanDerWaalsContact C-N 3.27Å; F517-L519 PolarHBondContact O-N 2.86Å; L519-N521 VanDerWaalsContact C-N 3.28Å; L519-N521 PolarHBondContact O-N 2.72Å; L519-L522 PolarHBondContact O-N 3Å; L519-L523 HydrophobicContact CD1-CD1 4.45Å; L519-L523 HydrophobicContact CD1-CG 4.44Å; L519-L523 HydrophobicContact CG-CD1 4.19Å; L519-L523 WeakPolarHBondContact O-CG 3.42Å; L519-L523 PolarHBondContact O-N 3.03Å
520S82.2Confident79.6Confident3 Ų377.2 Ų77.22%0.02138%0.379CS..Hα-helixtrans-63.4-35.5179.161.10000111.8L516 F517 L523 L524 L536L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 2.88Å; F517-S520 WeakPolarHBondContact CA-OG 3.23Å; F517-S520 PolarHBondContact O-N 2.96Å; F517-S520 PolarHBondContact O-OG 3.25Å; S520-L523 PolarHBondContact O-N 3.21Å; S520-L524 WeakPolarHBondContact O-CB 3.43Å; S520-L524 PolarHBondContact O-N 3.1Å; S520-L536 WeakPolarHBondContact O-CD1 3.33Å; S520-L536 VanDerWaalsContact OG-CD1 3.27Å; S520-L536 WeakPolarHBondContact OG-CD1 3.29Å
521N79.1Confident78.2Confident54 Ų5479.1 Ų79.129%0.28939%0.391SS..Hα-helixtrans-66.6-45.5176.2-165.4-3000111.1S114 F517 L519 L523 L524 V525 L536S114-N521 PolarHBondContact OG-ND2 2.91Å; S114-N521 VanDerWaalsContact OG-ND2 3.08Å; F517-N521 WeakPolarHBondContact O-CB 3.05Å; F517-N521 PolarHBondContact O-N 2.78Å; L519-N521 VanDerWaalsContact C-N 3.28Å; L519-N521 PolarHBondContact O-N 2.72Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 3.35Å; N521-L524 PolarHBondContact O-N 3.43Å; N521-V525 WeakPolarHBondContact O-CG2 3.35Å; N521-V525 PolarHBondContact O-N 3Å; N521-L536 HydrophobicContact CB-CD1 4.1Å; N521-L536 HydrophobicContact CB-CD2 4.11Å; N521-L536 VanDerWaalsContact N-CD1 3.32Å
522L83Confident76.8Confident106 Ų10681.7 Ų81.756%0.55541%0.409SS*.Hα-helixtrans-62-36.1175.4-170.8150000112.5K518 L519 R526K518-L522 PolarHBondContact O-N 2.73Å; L519-L522 PolarHBondContact O-N 3Å; L522-R526 VanDerWaalsContact O-CB 3.28Å; L522-R526 WeakPolarHBondContact O-CB 3.43Å; L522-R526 PolarHBondContact O-N 3Å; L522-R526 VanDerWaalsContact O-N 3.13Å
523L81.4Confident75.7Confident69 Ų6986.9 Ų86.936%0.36144%0.437SS..Hα-helixtrans-66.7-42.3173.9-72.7169.4000112.4L519 S520 N521 R526 N527L519-L523 HydrophobicContact CD1-CD1 4.45Å; L519-L523 HydrophobicContact CD1-CG 4.44Å; L519-L523 HydrophobicContact CG-CD1 4.19Å; L519-L523 WeakPolarHBondContact O-CG 3.42Å; L519-L523 PolarHBondContact O-N 3.03Å; S520-L523 PolarHBondContact O-N 3.21Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 3.35Å; L523-R526 PolarHBondContact O-N 3.18Å; L523-N527 PolarHBondContact O-N 3.05Å
524L76.2Confident74.9Confident22 Ų2290.9 Ų90.912%0.11545%0.453CS..Hα-helixtrans-64.5-45.6178.1-164.486000111.6S520 N521 R526 N531 L536 I539S520-L524 WeakPolarHBondContact O-CB 3.43Å; S520-L524 PolarHBondContact O-N 3.1Å; N521-L524 PolarHBondContact O-N 3.43Å; L524-R526 VanDerWaalsContact C-N 3.3Å; L524-R526 PolarHBondContact O-N 2.92Å; L524-N531 HydrophobicContact CD1-CB 4.05Å; L524-N531 HydrophobicContact CG-CB 4.2Å; L524-L536 HydrophobicContact CB-CD1 4.46Å; L524-L536 HydrophobicContact CD2-CB 4.25Å; L524-I539 HydrophobicContact CB-CD1 4.45Å; L524-I539 HydrophobicContact CD1-CD1 3.58Å
525V78.1Confident74.7Confident116 Ų11693.2 Ų93.270%0.70346%0.463SS*.Hα-helixtrans-65.9-31.1178.51710000112.2N521N521-V525 WeakPolarHBondContact O-CG2 3.35Å; N521-V525 PolarHBondContact O-N 3Å
526R78.2Confident74.4Confident196 Ų19685.2 Ų85.274%0.7443%0.432SS*.Hα-helixtrans-81-29.2-179.1-172.7173.8179.8175.40.9113.9L522 L523 L524L522-R526 VanDerWaalsContact O-CB 3.28Å; L522-R526 WeakPolarHBondContact O-CB 3.43Å; L522-R526 PolarHBondContact O-N 3Å; L522-R526 VanDerWaalsContact O-N 3.13Å; L523-R526 PolarHBondContact O-N 3.18Å; L524-R526 VanDerWaalsContact C-N 3.3Å; L524-R526 PolarHBondContact O-N 2.92Å
527N73.4Confident74.1Confident60 Ų6085.2 Ų85.232%0.32143%0.433SS..  trans-126.490.4-169.9-67.3-15.2000111.8L523 S529 I530L523-N527 PolarHBondContact O-N 3.05Å; N527-S529 PolarHBondContact O-N 3.12Å; N527-S529 VanDerWaalsContact O-N 3.09Å; N527-I530 HydrophobicContact CB-CB 4.34Å; N527-I530 HydrophobicContact CB-CD1 3.75Å; N527-I530 HydrophobicContact CB-CG1 3.86Å; N527-I530 WeakPolarHBondContact ND2-CD1 3.49Å; N527-I530 PolarHBondContact O-N 2.9Å
528E65.2Low74.1Confident171 Ų17185.4 Ų85.480%0.79944%0.435SS*.Hα-helixtrans-53.1-33.2178.2-61.2-175.8144.400113.4I530 N531E528-I530 PolarHBondContact O-N 3.15Å; E528-N531 PolarHBondContact O-N 2.64Å
529S62.9Low74.1Confident88 Ų8879 Ų7962%0.61541%0.408SS*.Hα-helixtrans-67.4-16.8178.156.90000115N527 S532 N533N527-S529 PolarHBondContact O-N 3.12Å; N527-S529 VanDerWaalsContact O-N 3.09Å; S529-S532 PolarHBondContact O-OG 3.47Å; S529-N533 PolarHBondContact O-ND2 2.96Å; S529-N533 VanDerWaalsContact O-ND2 3.14Å
530I62.5Low74.1Confident53 Ų5374.6 Ų74.627%0.27239%0.385SS..Hα-helixtrans-87.5-38.6173.6-60-178.2000110.1N527 E528 S532 N533 F534 I539N527-I530 HydrophobicContact CB-CB 4.34Å; N527-I530 HydrophobicContact CB-CD1 3.75Å; N527-I530 HydrophobicContact CB-CG1 3.86Å; N527-I530 WeakPolarHBondContact ND2-CD1 3.49Å; N527-I530 PolarHBondContact O-N 2.9Å; E528-I530 PolarHBondContact O-N 3.15Å; I530-S532 PolarHBondContact O-N 2.98Å; I530-N533 PolarHBondContact O-N 3.44Å; I530-F534 HydrophobicContact CG2-CB 4.5Å; I530-F534 HydrophobicContact CG2-CD2 4.48Å; I530-F534 PolarHBondContact O-N 3.47Å; I530-I539 HydrophobicContact CG2-CD1 3.62Å; I530-I539 HydrophobicContact CG2-CG1 4.43Å
531N60.4Low74.2Confident99 Ų9975.3 Ų75.353%0.52939%0.388SS..Hα-helixtrans-62.4-23.8-176.3-165.326.5000113.6L524 E528L524-N531 HydrophobicContact CD1-CB 4.05Å; L524-N531 HydrophobicContact CG-CB 4.2Å; E528-N531 PolarHBondContact O-N 2.64Å
532S61.6Low74.5Confident93 Ų9377.2 Ų77.265%0.6540%0.397SS*.THydrogen-bonded Turntrans-76.8-19.5173.5570000114.6S529 I530S529-S532 PolarHBondContact O-OG 3.47Å; I530-S532 PolarHBondContact O-N 2.98Å
533N64.5Low74.6Confident118 Ų11873 Ų7363%0.63138%0.379SS*.THydrogen-bonded Turntrans-113.3-31.1-170.8-71.7-63.7000113.9S529 I530S529-N533 PolarHBondContact O-ND2 2.96Å; S529-N533 VanDerWaalsContact O-ND2 3.14Å; I530-N533 PolarHBondContact O-N 3.44Å
534F68.9Low74.8Confident96 Ų9669.7 Ų69.742%0.42136%0.362SS..  trans-133.1136.2-174.2-66.9-81.3000111.4I530 D538 I539 I542I530-F534 HydrophobicContact CG2-CB 4.5Å; I530-F534 HydrophobicContact CG2-CD2 4.48Å; I530-F534 PolarHBondContact O-N 3.47Å; F534-D538 HydrophobicContact CB-CB 4.27Å; F534-D538 HydrophobicContact CD1-CB 4.04Å; F534-I539 HydrophobicContact CB-CD1 4.43Å; F534-I539 HydrophobicContact CB-CG1 4Å; F534-I542 HydrophobicContact CD1-CD1 4.48Å; F534-I542 HydrophobicContact CE1-CD1 4.38Å
535K76.9Confident75.3Confident149 Ų14970.1 Ų70.165%0.64837%0.365SS*.  trans-73.3157.7169.1-61.2-178.6-179.5-179.60109.6V537 D538 I539K535-V537 PolarHBondContact O-N 3.48Å; K535-D538 WeakPolarHBondContact CB-OD2 3.48Å; K535-D538 PolarHBondContact N-OD2 3.37Å; K535-D538 WeakPolarHBondContact O-CB 3.47Å; K535-D538 PolarHBondContact O-N 2.99Å; K535-I539 PolarHBondContact O-N 3.28Å
536L77.6Confident75.9Confident11 Ų1167.5 Ų67.56%0.05835%0.352CS..Hα-helixtrans-53.6-40.6175.3-177.255000112.9S114 F517 S520 N521 L524 D538 I539 F540S114-L536 WeakPolarHBondContact O-CD2 3.46Å; S114-L536 WeakPolarHBondContact OG-CD2 3.21Å; F517-L536 HydrophobicContact CE1-CD2 3.61Å; F517-L536 HydrophobicContact CE1-CG 4.31Å; F517-L536 HydrophobicContact CE2-CD2 4.24Å; F517-L536 HydrophobicContact CE2-CG 4.15Å; F517-L536 HydrophobicContact CZ-CD2 3.36Å; F517-L536 HydrophobicContact CZ-CG 3.76Å; S520-L536 WeakPolarHBondContact O-CD1 3.33Å; S520-L536 VanDerWaalsContact OG-CD1 3.27Å; S520-L536 WeakPolarHBondContact OG-CD1 3.29Å; N521-L536 HydrophobicContact CB-CD1 4.1Å; N521-L536 HydrophobicContact CB-CD2 4.11Å; N521-L536 VanDerWaalsContact N-CD1 3.32Å; L524-L536 HydrophobicContact CB-CD1 4.46Å; L524-L536 HydrophobicContact CD2-CB 4.25Å; L536-D538 VanDerWaalsContact C-N 3.32Å; L536-D538 PolarHBondContact O-N 3.04Å; L536-I539 PolarHBondContact O-N 3.04Å; L536-F540 PolarHBondContact O-N 2.88Å
537V78.2Confident76.4Confident25 Ų2560.3 Ų60.315%0.15233%0.328CS..Hα-helixtrans-57.9-41.9174.6173.60000111.7K535 I539 F540 L541 E677 L681K535-V537 PolarHBondContact O-N 3.48Å; V537-I539 PolarHBondContact O-N 2.84Å; V537-F540 PolarHBondContact O-N 2.89Å; V537-L541 WeakPolarHBondContact O-CB 3.26Å; V537-L541 PolarHBondContact O-N 2.89Å; V537-E677 HydrophobicContact CG1-CG 3.8Å; V537-L681 HydrophobicContact CG1-CD1 3.84Å; V537-L681 HydrophobicContact CG2-CD1 4.27Å
538D80.3Confident77Confident10 Ų1058 Ų585%0.05332%0.316CS..Hα-helixtrans-64-43178.9-59.6-49.9000111.3F534 K535 L536 L541 I542 R673F534-D538 HydrophobicContact CB-CB 4.27Å; F534-D538 HydrophobicContact CD1-CB 4.04Å; K535-D538 WeakPolarHBondContact CB-OD2 3.48Å; K535-D538 PolarHBondContact N-OD2 3.37Å; K535-D538 WeakPolarHBondContact O-CB 3.47Å; K535-D538 PolarHBondContact O-N 2.99Å; L536-D538 VanDerWaalsContact C-N 3.32Å; L536-D538 PolarHBondContact O-N 3.04Å; D538-L541 PolarHBondContact O-N 3.41Å; D538-I542 WeakPolarHBondContact O-CB 3.5Å; D538-I542 WeakPolarHBondContact O-CD1 3.45Å; D538-I542 VanDerWaalsContact O-CG1 3.23Å; D538-I542 WeakPolarHBondContact O-CG1 3.29Å; D538-I542 PolarHBondContact O-N 3.47Å; D538-R673 IonicContact OD1-CZ 3.06Å; D538-R673 IonicContact OD1-NE 2.68Å; D538-R673 PolarHBondContact OD1-NE 2.99Å; D538-R673 IonicContact OD1-NH2 3.15Å; D538-R673 PolarHBondContact OD1-NH2 3.41Å; D538-R673 IonicContact OD2-NH2 3.66Å; D538-R673 PolarHBondContact OD2-NH2 3.47Å
539I81.6Confident78.1Confident27 Ų2753.4 Ų53.414%0.13830%0.296CS..Hα-helixtrans-65.9-41.2178.7-55.5174.2000110.4L524 I530 F534 K535 L536 V537 G543L524-I539 HydrophobicContact CB-CD1 4.45Å; L524-I539 HydrophobicContact CD1-CD1 3.58Å; I530-I539 HydrophobicContact CG2-CD1 3.62Å; I530-I539 HydrophobicContact CG2-CG1 4.43Å; F534-I539 HydrophobicContact CB-CD1 4.43Å; F534-I539 HydrophobicContact CB-CG1 4Å; K535-I539 PolarHBondContact O-N 3.28Å; L536-I539 PolarHBondContact O-N 3.04Å; V537-I539 PolarHBondContact O-N 2.84Å; I539-G543 PolarHBondContact O-N 3.23Å
540F84.2Confident79.4Confident1 Ų151.3 Ų51.30%0.00428%0.284CS..Hα-helixtrans-60.7-45.2172.9169.4-102.5000112P513 L516 F517 L536 V537 G543 I544 I680 L681 L684P513-F540 HydrophobicContact CB-CE2 4.22Å; P513-F540 HydrophobicContact CB-CZ 4.13Å; L516-F540 HydrophobicContact CB-CD2 4.11Å; L516-F540 HydrophobicContact CB-CE2 4.1Å; F517-F540 HydrophobicContact CB-CD2 3.89Å; F517-F540 HydrophobicContact CB-CE2 4.13Å; F517-F540 HydrophobicContact CD2-CB 4.06Å; F517-F540 HydrophobicContact CD2-CD1 4.48Å; F517-F540 AromaticContact CD2-CD2 3.76Å; F517-F540 HydrophobicContact CD2-CD2 3.76Å; F517-F540 HydrophobicContact CD2-CE2 4.34Å; F517-F540 AromaticContact CD2-CG 3.84Å; F517-F540 HydrophobicContact CD2-CG 3.84Å; F517-F540 HydrophobicContact CE2-CB 4.47Å; F517-F540 HydrophobicContact CG-CD2 4.32Å; L536-F540 PolarHBondContact O-N 2.88Å; V537-F540 PolarHBondContact O-N 2.89Å; F540-G543 CarbonylContact O-C 3.52Å; F540-G543 WeakPolarHBondContact O-CA 3.36Å; F540-G543 PolarHBondContact O-N 2.94Å; F540-G543 VanDerWaalsContact O-N 3.13Å; F540-I544 HydrophobicContact CE2-CD1 4.46Å; F540-I544 HydrophobicContact CZ-CD1 3.99Å; F540-I544 PolarHBondContact O-N 3.41Å; F540-I680 HydrophobicContact CE1-CG2 4.25Å; F540-L681 HydrophobicContact CD1-CD2 4.15Å; F540-L681 HydrophobicContact CE1-CD2 3.92Å; F540-L684 HydrophobicContact CE1-CD1 4.16Å; F540-L684 HydrophobicContact CZ-CD1 3.87Å
541L83.9Confident80.6Confident17 Ų1749.1 Ų49.19%0.08927%0.273CS..Hα-helixtrans-66.3-38.9-178.7-160.565.9000112.1V537 D538 T545 Y676 E677 I680V537-L541 WeakPolarHBondContact O-CB 3.26Å; V537-L541 PolarHBondContact O-N 2.89Å; D538-L541 PolarHBondContact O-N 3.41Å; L541-T545 WeakPolarHBondContact O-CB 3.43Å; L541-T545 WeakPolarHBondContact O-CG2 3.41Å; L541-T545 PolarHBondContact O-N 3.22Å; L541-T545 VanDerWaalsContact O-N 3.14Å; L541-T545 PolarHBondContact O-OG1 3.48Å; L541-Y676 HydrophobicContact CD1-CD1 3.76Å; L541-Y676 HydrophobicContact CD1-CE1 3.76Å; L541-Y676 HydrophobicContact CD2-CD1 4.01Å; L541-Y676 HydrophobicContact CG-CD1 3.96Å; L541-Y676 HydrophobicContact CG-CE1 4.03Å; L541-E677 HydrophobicContact CD2-CB 4.31Å; L541-I680 HydrophobicContact CD1-CB 4.27Å; L541-I680 HydrophobicContact CD1-CD1 3.93Å
542I85.3Confident81.9Confident94 Ų9445.7 Ų45.748%0.48225%0.254SS..Hα-helixtrans-67.2-40170.2-67.9164000110.6F534 D538 T545 S546F534-I542 HydrophobicContact CD1-CD1 4.48Å; F534-I542 HydrophobicContact CE1-CD1 4.38Å; D538-I542 WeakPolarHBondContact O-CB 3.5Å; D538-I542 WeakPolarHBondContact O-CD1 3.45Å; D538-I542 VanDerWaalsContact O-CG1 3.23Å; D538-I542 WeakPolarHBondContact O-CG1 3.29Å; D538-I542 PolarHBondContact O-N 3.47Å; I542-T545 WeakPolarHBondContact CA-OG1 3.37Å; I542-T545 PolarHBondContact O-OG1 3.2Å; I542-T545 VanDerWaalsContact O-OG1 3.1Å; I542-S546 WeakPolarHBondContact O-CB 3.48Å; I542-S546 PolarHBondContact O-N 3.46Å; I542-S546 PolarHBondContact O-OG 2.97Å
543G86.4Confident83.1Confident17 Ų1745.7 Ų45.718%0.17525%0.246CC..Hα-helixtrans-60.9-47.1176.100000113.1I539 F540 S546 L547I539-G543 PolarHBondContact O-N 3.23Å; F540-G543 CarbonylContact O-C 3.52Å; F540-G543 WeakPolarHBondContact O-CA 3.36Å; F540-G543 PolarHBondContact O-N 2.94Å; F540-G543 VanDerWaalsContact O-N 3.13Å; G543-S546 PolarHBondContact O-OG 3.17Å; G543-S546 VanDerWaalsContact O-OG 3.11Å; G543-L547 VanDerWaalsContact O-CB 3.32Å; G543-L547 WeakPolarHBondContact O-CB 3.5Å; G543-L547 PolarHBondContact O-N 3.16Å
544I85.4Confident84.2Confident0 Ų043.7 Ų43.70%024%0.238CC..Hα-helixtrans-74.6-37.2-177.2-153.9161.5000112.3P513 L516 F540 I548 I680 W695P513-I544 HydrophobicContact CG-CD1 4.05Å; L516-I544 HydrophobicContact CD1-CB 3.77Å; L516-I544 HydrophobicContact CD1-CD1 4.28Å; L516-I544 HydrophobicContact CD1-CG1 3.77Å; F540-I544 HydrophobicContact CE2-CD1 4.46Å; F540-I544 HydrophobicContact CZ-CD1 3.99Å; F540-I544 PolarHBondContact O-N 3.41Å; I544-I548 HydrophobicContact CG1-CD1 4.45Å; I544-I548 WeakPolarHBondContact O-CD1 3.46Å; I544-I548 VanDerWaalsContact O-CG1 3.24Å; I544-I548 WeakPolarHBondContact O-CG1 3.4Å; I544-I548 PolarHBondContact O-N 3Å; I544-I548 VanDerWaalsContact O-N 3.09Å; I544-I680 HydrophobicContact CG2-CD1 4.21Å; I544-W695 HydrophobicContact CD1-CH2 3.57Å; I544-W695 HydrophobicContact CD1-CZ2 4.09Å; I544-W695 HydrophobicContact CD1-CZ3 4.46Å; I544-W695 HydrophobicContact CG1-CH2 4.4Å
545T86.5Confident85.2Confident31 Ų3139.1 Ų39.119%0.1922%0.217CC..Hα-helixtrans-65.7-46173.147.50000112.2L541 I542 L547 I548 I549 Y676L541-T545 WeakPolarHBondContact O-CB 3.43Å; L541-T545 WeakPolarHBondContact O-CG2 3.41Å; L541-T545 PolarHBondContact O-N 3.22Å; L541-T545 VanDerWaalsContact O-N 3.14Å; L541-T545 PolarHBondContact O-OG1 3.48Å; I542-T545 WeakPolarHBondContact CA-OG1 3.37Å; I542-T545 PolarHBondContact O-OG1 3.2Å; I542-T545 VanDerWaalsContact O-OG1 3.1Å; T545-L547 PolarHBondContact O-N 3.07Å; T545-I548 PolarHBondContact O-N 3.28Å; T545-I549 WeakPolarHBondContact O-CD1 3.48Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 2.85Å; T545-I549 PolarHBondContact O-N 3.49Å; T545-Y676 HydrophobicContact CG2-CE1 3.8Å; T545-Y676 WeakPolarHBondContact CG2-OH 3.46Å
546S89.6Confident85.7Confident62 Ų6232.9 Ų32.943%0.43419%0.193SC..Hα-helixtrans-66.2-34.5177.360.40000112.7I542 G543 I549 A550I542-S546 WeakPolarHBondContact O-CB 3.48Å; I542-S546 PolarHBondContact O-N 3.46Å; I542-S546 PolarHBondContact O-OG 2.97Å; G543-S546 PolarHBondContact O-OG 3.17Å; G543-S546 VanDerWaalsContact O-OG 3.11Å; S546-I549 PolarHBondContact O-N 2.91Å; S546-A550 VanDerWaalsContact O-CB 3.23Å; S546-A550 WeakPolarHBondContact O-CB 3.43Å; S546-A550 PolarHBondContact O-N 3.49Å
547L89.2Confident86.1Confident44 Ų4437 Ų3723%0.2321%0.213CC..Hα-helixtrans-61.9-48.3171.8-179.163.8000111.7L508 L509 S512 L516 G543 T545 I549 A550 V551L508-L547 HydrophobicContact CD2-CD2 4.47Å; L509-L547 HydrophobicContact CD2-CD2 3.93Å; L509-L547 HydrophobicContact CD2-CG 3.83Å; S512-L547 VanDerWaalsContact CB-CD2 3.41Å; L516-L547 HydrophobicContact CD1-CD2 3.9Å; L516-L547 HydrophobicContact CG-CD2 4.48Å; G543-L547 VanDerWaalsContact O-CB 3.32Å; G543-L547 WeakPolarHBondContact O-CB 3.5Å; G543-L547 PolarHBondContact O-N 3.16Å; T545-L547 PolarHBondContact O-N 3.07Å; L547-I549 VanDerWaalsContact C-N 3.32Å; L547-I549 PolarHBondContact O-N 3.33Å; L547-A550 PolarHBondContact O-N 3.45Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 WeakPolarHBondContact O-CG2 3.45Å; L547-V551 PolarHBondContact O-N 2.67Å
548I86.2Confident86.6Confident13 Ų1340.3 Ų40.37%0.06723%0.226CC..Hα-helixtrans-61.6-41.2178.9-64.7161.6000110.8L509 I544 T545 V551 M552 F644 P646L509-I548 HydrophobicContact CD1-CG1 4.22Å; L509-I548 HydrophobicContact CD2-CB 4.49Å; L509-I548 HydrophobicContact CD2-CG1 3.68Å; I544-I548 HydrophobicContact CG1-CD1 4.45Å; I544-I548 WeakPolarHBondContact O-CD1 3.46Å; I544-I548 VanDerWaalsContact O-CG1 3.24Å; I544-I548 WeakPolarHBondContact O-CG1 3.4Å; I544-I548 PolarHBondContact O-N 3Å; I544-I548 VanDerWaalsContact O-N 3.09Å; T545-I548 PolarHBondContact O-N 3.28Å; I548-V551 WeakPolarHBondContact O-CB 3.41Å; I548-V551 PolarHBondContact O-N 3.41Å; I548-M552 PolarHBondContact O-N 2.94Å; I548-F644 HydrophobicContact CG2-CE1 4.38Å; I548-F644 HydrophobicContact CG2-CE2 3.9Å; I548-F644 HydrophobicContact CG2-CZ 3.61Å; I548-F644 WeakPolarHBondContact O-CZ 3.21Å; I548-P646 HydrophobicContact CB-CG 4.07Å; I548-P646 HydrophobicContact CD1-CG 4.43Å; I548-P646 HydrophobicContact CG2-CG 3.55Å
549I88.7Confident86.8Confident74 Ų7440.1 Ų40.138%0.37923%0.225SC..Hα-helixtrans-66.4-43175.5-67.2163000111.7T545 S546 L547 V551 M552 I553 F644T545-I549 WeakPolarHBondContact O-CD1 3.48Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 2.85Å; T545-I549 PolarHBondContact O-N 3.49Å; S546-I549 PolarHBondContact O-N 2.91Å; L547-I549 VanDerWaalsContact C-N 3.32Å; L547-I549 PolarHBondContact O-N 3.33Å; I549-V551 VanDerWaalsContact C-N 3.31Å; I549-V551 PolarHBondContact O-N 2.94Å; I549-M552 WeakPolarHBondContact O-CB 3.39Å; I549-M552 PolarHBondContact O-N 3.24Å; I549-I553 HydrophobicContact CG2-CD1 4.05Å; I549-I553 WeakPolarHBondContact O-CG1 3.27Å; I549-I553 PolarHBondContact O-N 2.93Å; I549-F644 HydrophobicContact CG1-CE1 4.07Å
550A89.9Confident86.9Confident43 Ų4344 Ų4436%0.35525%0.245SC..Hα-helixtrans-62-40.4177.400000111.3S546 L547 M552 I553 V554S546-A550 VanDerWaalsContact O-CB 3.23Å; S546-A550 WeakPolarHBondContact O-CB 3.43Å; S546-A550 PolarHBondContact O-N 3.49Å; L547-A550 PolarHBondContact O-N 3.45Å; A550-M552 PolarHBondContact O-N 3.09Å; A550-I553 PolarHBondContact O-N 3.46Å; A550-I553 VanDerWaalsContact O-N 3.15Å; A550-V554 WeakPolarHBondContact O-CB 3.41Å; A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.21Å; A550-V554 PolarHBondContact O-N 3.18Å
551V88.2Confident87.1Confident7 Ų748.1 Ų48.14%0.04227%0.267CS..Hα-helixtrans-55.2-47.7173.5157.50000112M505 L509 L547 I548 I549 I553 L555 L707M505-V551 HydrophobicContact CE-CG2 4.21Å; M505-V551 HydrophobicContact CG-CB 4.17Å; M505-V551 HydrophobicContact CG-CG1 3.41Å; M505-V551 VanDerWaalsContact CG-CG1 3.41Å; M505-V551 HydrophobicContact CG-CG2 3.7Å; M505-V551 HydrophobicContact SD-CG1 4.39Å; M505-V551 HydrophobicContact SD-CG2 3.65Å; L509-V551 HydrophobicContact CD1-CG1 4.35Å; L509-V551 HydrophobicContact CD2-CG2 4.11Å; L509-V551 HydrophobicContact CG-CG2 4.44Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 WeakPolarHBondContact O-CG2 3.45Å; L547-V551 PolarHBondContact O-N 2.67Å; I548-V551 WeakPolarHBondContact O-CB 3.41Å; I548-V551 PolarHBondContact O-N 3.41Å; I549-V551 VanDerWaalsContact C-N 3.31Å; I549-V551 PolarHBondContact O-N 2.94Å; V551-I553 PolarHBondContact O-N 3.4Å; V551-L555 VanDerWaalsContact O-CB 3.23Å; V551-L555 WeakPolarHBondContact O-CB 3.35Å; V551-L555 PolarHBondContact O-N 3.12Å; V551-L555 VanDerWaalsContact O-N 3.07Å; V551-L707 HydrophobicContact CG1-CD1 3.57Å; V551-L707 HydrophobicContact CG1-CD2 3.88Å; V551-L707 HydrophobicContact CG1-CG 4.38Å
552M86.8Confident87.1Confident27 Ų2748.6 Ų48.613%0.13327%0.269CS..Hα-helixtrans-59.4-32.5177.8175.7-172.971.800113.3I548 I549 A550 P556 L641 F644 W706 W710I548-M552 PolarHBondContact O-N 2.94Å; I549-M552 WeakPolarHBondContact O-CB 3.39Å; I549-M552 PolarHBondContact O-N 3.24Å; A550-M552 PolarHBondContact O-N 3.09Å; M552-P556 VanDerWaalsContact O-CD 3.31Å; M552-P556 WeakPolarHBondContact O-CD 3.33Å; M552-L641 HydrophobicContact SD-CD2 3.95Å; M552-F644 HydrophobicContact CB-CE2 3.97Å; M552-F644 HydrophobicContact CB-CZ 3.74Å; M552-F644 HydrophobicContact CE-CE1 4.27Å; M552-F644 HydrophobicContact CG-CE2 4.37Å; M552-F644 HydrophobicContact CG-CZ 4.3Å; M552-F644 HydrophobicContact SD-CD1 4.07Å; M552-F644 HydrophobicContact SD-CD2 4.33Å; M552-F644 HydrophobicContact SD-CE1 3.82Å; M552-F644 HydrophobicContact SD-CE2 4.1Å; M552-F644 HydrophobicContact SD-CG 4.32Å; M552-F644 HydrophobicContact SD-CZ 3.82Å; M552-W706 HydrophobicContact CB-CZ3 4.41Å; M552-W706 HydrophobicContact CG-CH2 3.86Å; M552-W706 HydrophobicContact CG-CZ3 3.87Å; M552-W706 HydrophobicContact SD-CH2 3.71Å; M552-W706 HydrophobicContact SD-CZ3 4.24Å; M552-W710 HydrophobicContact CG-CZ2 4.12Å; M552-W710 PolarHBondContact O-NE1 3.14Å; M552-W710 HydrophobicContact SD-CZ2 4.33Å
553I87.9Confident87Confident94 Ų9445.6 Ų45.648%0.48225%0.252SS..Hα-helixtrans-88.4-40.3-176.6-62.4168.8000111.7I549 A550 V551 I557I549-I553 HydrophobicContact CG2-CD1 4.05Å; I549-I553 WeakPolarHBondContact O-CG1 3.27Å; I549-I553 PolarHBondContact O-N 2.93Å; A550-I553 PolarHBondContact O-N 3.46Å; A550-I553 VanDerWaalsContact O-N 3.15Å; V551-I553 PolarHBondContact O-N 3.4Å; I553-I557 HydrophobicContact CG2-CD1 4.46Å; I553-I557 WeakPolarHBondContact O-CD1 3.32Å
554V87.9Confident86.9Confident75 Ų7551.8 Ų51.846%0.45527%0.274SS..Hα-helixtrans-75.6-35.2-177.1172.60000111.7A550 I557 F558A550-V554 WeakPolarHBondContact O-CB 3.41Å; A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.21Å; A550-V554 PolarHBondContact O-N 3.18Å; V554-I557 PolarHBondContact O-N 2.73Å; V554-I557 VanDerWaalsContact O-N 3.16Å; V554-F558 WeakPolarHBondContact O-CB 3.29Å; V554-F558 PolarHBondContact O-N 3.12Å
555L88.8Confident86.9Confident0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-59.6-45.6-173.1-167.877.1000113.9L501 M505 V551 I557 F558 M559 L707 L711L501-L555 HydrophobicContact CB-CD1 4.27Å; L501-L555 HydrophobicContact CD2-CD1 3.74Å; M505-L555 HydrophobicContact CE-CD1 4.06Å; V551-L555 VanDerWaalsContact O-CB 3.23Å; V551-L555 WeakPolarHBondContact O-CB 3.35Å; V551-L555 PolarHBondContact O-N 3.12Å; V551-L555 VanDerWaalsContact O-N 3.07Å; L555-I557 PolarHBondContact O-N 3Å; L555-F558 PolarHBondContact O-N 3.23Å; L555-M559 WeakPolarHBondContact O-CG 3.47Å; L555-M559 PolarHBondContact O-N 3.49Å; L555-L707 HydrophobicContact CD2-CB 3.74Å; L555-L707 HydrophobicContact CD2-CD1 4.34Å; L555-L707 HydrophobicContact CD2-CD2 3.93Å; L555-L707 HydrophobicContact CD2-CG 4.21Å; L555-L711 HydrophobicContact CD2-CD1 3.8Å; L555-L711 HydrophobicContact CD2-CD2 4.29Å; L555-L711 HydrophobicContact CD2-CG 3.91Å; L555-L711 HydrophobicContact CG-CD1 4.05Å; L555-L711 HydrophobicContact CG-CD2 4.16Å; L555-L711 HydrophobicContact CG-CG 4.27Å
556P86.4Confident86.7Confident19 Ų1960.3 Ų60.312%0.12332%0.318CS..Hα-helixtrans-63.6-39.4174.6-21.233.6000113M552 M559 L560 L711M552-P556 VanDerWaalsContact O-CD 3.31Å; M552-P556 WeakPolarHBondContact O-CD 3.33Å; P556-M559 PolarHBondContact O-N 2.97Å; P556-L560 WeakPolarHBondContact O-CG 3.23Å; P556-L560 PolarHBondContact O-N 2.79Å; P556-L711 HydrophobicContact CB-CD2 4.16Å; P556-L711 HydrophobicContact CG-CD2 4.08Å
557I87.6Confident86.2Confident96 Ų9663.6 Ų63.649%0.49233%0.33SS..Hα-helixtrans-64.2-44.3179.1-59.4171.8000110.2I553 V554 L555 L560 I561I553-I557 HydrophobicContact CG2-CD1 4.46Å; I553-I557 WeakPolarHBondContact O-CD1 3.32Å; V554-I557 PolarHBondContact O-N 2.73Å; V554-I557 VanDerWaalsContact O-N 3.16Å; L555-I557 PolarHBondContact O-N 3Å; I557-L560 PolarHBondContact O-N 3.21Å; I557-I561 HydrophobicContact CG2-CD1 4.14Å; I557-I561 WeakPolarHBondContact O-CG1 3.34Å; I557-I561 PolarHBondContact O-N 2.9Å
558F87.7Confident85.6Confident96 Ų9662.1 Ų62.142%0.42132%0.323SS..Hα-helixtrans-66.2-39.3178.4-167-120000112.1L501 V554 L555 L560 I561 I562L501-F558 HydrophobicContact CD1-CD1 3.62Å; L501-F558 HydrophobicContact CD1-CE1 3.85Å; L501-F558 HydrophobicContact CD2-CD1 3.71Å; L501-F558 HydrophobicContact CD2-CE1 3.85Å; L501-F558 HydrophobicContact CG-CD1 4.29Å; L501-F558 HydrophobicContact CG-CE1 4.34Å; V554-F558 WeakPolarHBondContact O-CB 3.29Å; V554-F558 PolarHBondContact O-N 3.12Å; L555-F558 PolarHBondContact O-N 3.23Å; F558-L560 PolarHBondContact O-N 3.05Å; F558-I561 PolarHBondContact O-N 3.38Å; F558-I562 HydrophobicContact CD1-CD1 3.76Å; F558-I562 HydrophobicContact CE1-CD1 3.52Å; F558-I562 HydrophobicContact CG-CD1 4.38Å; F558-I562 HydrophobicContact CZ-CD1 3.95Å; F558-I562 WeakPolarHBondContact O-CG1 3.34Å; F558-I562 PolarHBondContact O-N 3.34Å
559M85.1Confident84.4Confident6 Ų668 Ų683%0.0335%0.345CS..Hα-helixtrans-62.7-38.2172.1-78.5-63.3-5400113.2R498 L501 L555 P556 I562 K563 L711R498-M559 HydrophobicContact CG-CE 3.69Å; L501-M559 HydrophobicContact CB-SD 4.4Å; L501-M559 HydrophobicContact CD1-CG 4.33Å; L501-M559 HydrophobicContact CD1-SD 3.52Å; L501-M559 VanDerWaalsContact CD1-SD 3.52Å; L555-M559 WeakPolarHBondContact O-CG 3.47Å; L555-M559 PolarHBondContact O-N 3.49Å; P556-M559 PolarHBondContact O-N 2.97Å; M559-I562 PolarHBondContact O-N 2.7Å; M559-K563 WeakPolarHBondContact O-CB 3.4Å; M559-K563 VanDerWaalsContact O-CG 3.31Å; M559-K563 WeakPolarHBondContact O-CG 3.24Å; M559-K563 PolarHBondContact O-N 3.45Å; M559-L711 HydrophobicContact CB-CD2 4.25Å; M559-L711 HydrophobicContact CG-CD1 3.71Å; M559-L711 HydrophobicContact CG-CD2 3.84Å; M559-L711 HydrophobicContact CG-CG 4.44Å; M559-L711 HydrophobicContact SD-CD1 4.37Å
560L84.3Confident82.9Confident107 Ų10774 Ų7456%0.5637%0.371SS*.Hα-helixtrans-64.8-39.8174.1-73.7166.2000111.9P556 I557 F558 K564P556-L560 WeakPolarHBondContact O-CG 3.23Å; P556-L560 PolarHBondContact O-N 2.79Å; I557-L560 PolarHBondContact O-N 3.21Å; F558-L560 PolarHBondContact O-N 3.05Å; L560-K564 WeakPolarHBondContact O-CB 3.44Å; L560-K564 PolarHBondContact O-N 3.33Å; L560-K564 VanDerWaalsContact O-N 3.08Å
561I86.8Confident81.4Confident89 Ų8972.6 Ų72.646%0.45636%0.36SS..Hα-helixtrans-63.8-45.2175.3-68.1164.4000110.9I557 F558 K564 L565I557-I561 HydrophobicContact CG2-CD1 4.14Å; I557-I561 WeakPolarHBondContact O-CG1 3.34Å; I557-I561 PolarHBondContact O-N 2.9Å; F558-I561 PolarHBondContact O-N 3.38Å; I561-K564 PolarHBondContact O-N 2.94Å; I561-L565 HydrophobicContact CG2-CD1 3.93Å; I561-L565 PolarHBondContact O-N 3.26Å
562I85.3Confident80.1Confident27 Ų2774.2 Ų74.214%0.13837%0.368CS..Hα-helixtrans-65.1-44.5178.1-73.4166.7000111.8L497 L501 F558 M559 K564 L565 L566L497-I562 HydrophobicContact CD1-CG2 4.11Å; L497-I562 HydrophobicContact CD2-CG2 4.46Å; L501-I562 HydrophobicContact CD1-CD1 3.55Å; F558-I562 HydrophobicContact CD1-CD1 3.76Å; F558-I562 HydrophobicContact CE1-CD1 3.52Å; F558-I562 HydrophobicContact CG-CD1 4.38Å; F558-I562 HydrophobicContact CZ-CD1 3.95Å; F558-I562 WeakPolarHBondContact O-CG1 3.34Å; F558-I562 PolarHBondContact O-N 3.34Å; M559-I562 PolarHBondContact O-N 2.7Å; I562-K564 PolarHBondContact O-N 3.46Å; I562-L565 PolarHBondContact O-N 2.95Å; I562-L566 HydrophobicContact CG2-CD1 3.85Å; I562-L566 PolarHBondContact O-N 3.49Å
563K82.5Confident79.3Confident30 Ų3078.4 Ų78.413%0.1339%0.386CS..Hα-helixtrans-57.2-38.7174.4-77.8172.1172.5-177.90112M559 N567 L568 D572M559-K563 WeakPolarHBondContact O-CB 3.4Å; M559-K563 VanDerWaalsContact O-CG 3.31Å; M559-K563 WeakPolarHBondContact O-CG 3.24Å; M559-K563 PolarHBondContact O-N 3.45Å; K563-N567 WeakPolarHBondContact O-CA 3.44Å; K563-N567 PolarHBondContact O-N 3.38Å; K563-L568 PolarHBondContact O-N 3.18Å; K563-D572 WeakPolarHBondContact CE-OD2 3.38Å; K563-D572 IonicContact NZ-OD2 3.7Å; K563-D572 PolarHBondContact NZ-OD2 3.31Å
564K83.8Confident78.5Confident147 Ų14779.3 Ų79.364%0.63939%0.388SS*.Hα-helixtrans-68.9-42.8176.3-171.4171.7-177.5178.60112.6L560 I561 I562 N567 Y569L560-K564 WeakPolarHBondContact O-CB 3.44Å; L560-K564 PolarHBondContact O-N 3.33Å; L560-K564 VanDerWaalsContact O-N 3.08Å; I561-K564 PolarHBondContact O-N 2.94Å; I562-K564 PolarHBondContact O-N 3.46Å; K564-N567 PolarHBondContact O-N 3.46Å; K564-Y569 HydrophobicContact CB-CE2 4.19Å; K564-Y569 WeakPolarHBondContact CB-OH 3.36Å; K564-Y569 HydrophobicContact CG-CE2 4.14Å; K564-Y569 WeakPolarHBondContact CG-OH 3.25Å
565L85.7Confident77.9Confident138 Ų13877.7 Ų77.772%0.72338%0.377SS*.Hα-helixtrans-65.1-37.5177.8-80.8163.1000113I561 I562I561-L565 HydrophobicContact CG2-CD1 3.93Å; I561-L565 PolarHBondContact O-N 3.26Å; I562-L565 PolarHBondContact O-N 2.95Å
566L83.2Confident77.6Confident73 Ų7380.1 Ų80.138%0.38239%0.387SS..THydrogen-bonded Turntrans-944.4179.9-62.7175.2000113.6L497 I562 L568L497-L566 HydrophobicContact CD1-CD1 3.54Å; I562-L566 HydrophobicContact CG2-CD1 3.85Å; I562-L566 PolarHBondContact O-N 3.49Å; L566-L568 VanDerWaalsContact C-N 3.27Å; L566-L568 HydrophobicContact CB-CD1 3.79Å; L566-L568 HydrophobicContact CB-CG 3.75Å; L566-L568 HydrophobicContact CD1-CD1 4.06Å; L566-L568 PolarHBondContact O-N 3.49Å
567N79.2Confident77.4Confident130 Ų13079.6 Ų79.670%0.69538%0.384SS*.THydrogen-bonded Turntrans53.234.2-178.9-15022.4000115.2K563 K564 Y569K563-N567 WeakPolarHBondContact O-CA 3.44Å; K563-N567 PolarHBondContact O-N 3.38Å; K564-N567 PolarHBondContact O-N 3.46Å; N567-Y569 VanDerWaalsContact C-N 3.27Å; N567-Y569 PolarHBondContact O-N 3.41Å
568L75.3Confident77.3Confident14 Ų1475.2 Ų75.27%0.07336%0.362CS..  trans-85.626.2-171.9-64.5174000114.3P490 L493 C494 L497 K563 L566 E570 A571P490-L568 HydrophobicContact CB-CD2 3.62Å; L493-L568 HydrophobicContact CD2-CD1 4.47Å; L493-L568 HydrophobicContact CD2-CD2 4.44Å; C494-L568 HydrophobicContact CB-CD1 4.43Å; L497-L568 HydrophobicContact CD1-CD1 4Å; K563-L568 PolarHBondContact O-N 3.18Å; L566-L568 VanDerWaalsContact C-N 3.27Å; L566-L568 HydrophobicContact CB-CD1 3.79Å; L566-L568 HydrophobicContact CB-CG 3.75Å; L566-L568 HydrophobicContact CD1-CD1 4.06Å; L566-L568 PolarHBondContact O-N 3.49Å; L568-E570 PolarHBondContact O-N 3.23Å; L568-A571 PolarHBondContact O-N 2.74Å
569Y60.6Low77.3Confident137 Ų13771.6 Ų71.654%0.53735%0.347SS..THydrogen-bonded Turntrans-62.8-38.4-165.8-85.1-74.1000115.1K564 N567K564-Y569 HydrophobicContact CB-CE2 4.19Å; K564-Y569 WeakPolarHBondContact CB-OH 3.36Å; K564-Y569 HydrophobicContact CG-CE2 4.14Å; K564-Y569 WeakPolarHBondContact CG-OH 3.25Å; N567-Y569 VanDerWaalsContact C-N 3.27Å; N567-Y569 PolarHBondContact O-N 3.41Å
570E58Low77.5Confident199 Ų19973.4 Ų73.493%0.9336%0.356SS*.THydrogen-bonded Turntrans-90.9-5.3-177.1-59.5-170.9135.800113.8L568 D572L568-E570 PolarHBondContact O-N 3.23Å; E570-D572 PolarHBondContact O-N 2.89Å
571A59.3Low77.8Confident14 Ų1468.5 Ų68.512%0.11633%0.331CS..  trans-80.7-12.1-167.300000114.9P490 Y491 L568 K573P490-A571 HydrophobicContact CB-CB 3.9Å; P490-A571 HydrophobicContact CG-CB 4.23Å; Y491-A571 WeakPolarHBondContact CA-O 3.43Å; Y491-A571 WeakPolarHBondContact CB-O 3.41Å; L568-A571 PolarHBondContact O-N 2.74Å; A571-K573 PolarHBondContact O-N 3.19Å
572D59.4Low78.1Confident40 Ų4064.3 Ų64.321%0.21431%0.309CS..  trans-84.878.9-163.9-141.5-7.5000112.6R498 K563 E570 Q574 T577R498-D572 IonicContact CZ-OD1 3.77Å; R498-D572 IonicContact CZ-OD2 2.84Å; R498-D572 IonicContact NE-OD1 3.91Å; R498-D572 PolarHBondContact NE-OD1 3.34Å; R498-D572 IonicContact NE-OD2 2.76Å; R498-D572 VanDerWaalsContact NH2-CG 3.33Å; R498-D572 IonicContact NH2-OD1 2.64Å; R498-D572 PolarHBondContact NH2-OD1 3.04Å; R498-D572 VanDerWaalsContact NH2-OD1 3.14Å; R498-D572 IonicContact NH2-OD2 3.29Å; R498-D572 PolarHBondContact NH2-OD2 3.38Å; K563-D572 WeakPolarHBondContact CE-OD2 3.38Å; K563-D572 IonicContact NZ-OD2 3.7Å; K563-D572 PolarHBondContact NZ-OD2 3.31Å; E570-D572 PolarHBondContact O-N 2.89Å; D572-Q574 VanDerWaalsContact C-N 3.3Å; D572-Q574 PolarHBondContact O-N 2.85Å; D572-T577 WeakPolarHBondContact OD1-CG2 3.3Å
573K70.4Confident78.5Confident116 Ų11667.6 Ų67.650%0.50432%0.323SS..  trans-64.187170.5-72.2-170.3177.9-178.40110.4A571 D575 F576 T577A571-K573 PolarHBondContact O-N 3.19Å; K573-D575 PolarHBondContact O-N 2.69Å; K573-F576 HydrophobicContact CB-CB 4.29Å; K573-F576 HydrophobicContact CB-CD2 3.87Å; K573-F576 HydrophobicContact CD-CD2 3.77Å; K573-F576 HydrophobicContact CD-CE2 3.86Å; K573-F576 HydrophobicContact CG-CD2 4.47Å; K573-F576 WeakPolarHBondContact O-CB 3.11Å; K573-F576 PolarHBondContact O-N 3.31Å; K573-T577 PolarHBondContact O-N 2.82Å
574Q71.1Confident79Confident113 Ų11367 Ų6753%0.52832%0.323SS..Hα-helixtrans-49.6-33.3-178.8-71.1175.8-4800114.5D572 T577 G578D572-Q574 VanDerWaalsContact C-N 3.3Å; D572-Q574 PolarHBondContact O-N 2.85Å; Q574-T577 WeakPolarHBondContact CA-OG1 3.43Å; Q574-T577 PolarHBondContact O-N 2.89Å; Q574-T577 PolarHBondContact O-OG1 2.86Å; Q574-G578 PolarHBondContact O-N 3.28Å
575D76.5Confident79.6Confident41 Ų4160 Ų6022%0.21929%0.292CS..Hα-helixtrans-66.5-39.7178.2-54.5-93.5000111F391 K573 G578 Q579 K618F391-D575 HydrophobicContact CE2-CB 4.12Å; F391-D575 HydrophobicContact CZ-CB 4.38Å; K573-D575 PolarHBondContact O-N 2.69Å; D575-G578 PolarHBondContact O-N 2.86Å; D575-Q579 WeakPolarHBondContact O-CG 3.47Å; D575-Q579 PolarHBondContact O-N 3.14Å; D575-K618 WeakPolarHBondContact OD2-CD 3.29Å; D575-K618 IonicContact OD2-NZ 2.73Å
576F81.6Confident80.1Confident50 Ų5053.5 Ų53.522%0.21926%0.258CS..Hα-helixtrans-64.7-42172.2-87.3-94.4000112.5F391 L395 L495 K573 G578 Q579 L580F391-F576 AromaticContact CE1-CD1 3.96Å; F391-F576 HydrophobicContact CE1-CD1 3.96Å; F391-F576 AromaticContact CE1-CD2 3.97Å; F391-F576 HydrophobicContact CE1-CD2 3.97Å; F391-F576 AromaticContact CE1-CE1 3.96Å; F391-F576 HydrophobicContact CE1-CE1 3.96Å; F391-F576 AromaticContact CE1-CE2 3.96Å; F391-F576 HydrophobicContact CE1-CE2 3.96Å; F391-F576 AromaticContact CE1-CG 3.98Å; F391-F576 HydrophobicContact CE1-CG 3.98Å; F391-F576 AromaticContact CE1-CZ 3.96Å; F391-F576 HydrophobicContact CE1-CZ 3.96Å; F391-F576 HydrophobicContact CZ-CD1 4.47Å; F391-F576 AromaticContact CZ-CD2 3.63Å; F391-F576 HydrophobicContact CZ-CD2 3.63Å; F391-F576 HydrophobicContact CZ-CE1 4.5Å; F391-F576 AromaticContact CZ-CE2 3.67Å; F391-F576 HydrophobicContact CZ-CE2 3.67Å; F391-F576 HydrophobicContact CZ-CG 4.06Å; F391-F576 HydrophobicContact CZ-CZ 4.12Å; L395-F576 HydrophobicContact CD1-CE1 3.95Å; L395-F576 HydrophobicContact CD1-CE2 4.48Å; L395-F576 HydrophobicContact CD1-CZ 3.62Å; L395-F576 HydrophobicContact CD2-CE2 4.15Å; L395-F576 HydrophobicContact CD2-CZ 3.83Å; L395-F576 HydrophobicContact CG-CZ 4.4Å; L495-F576 HydrophobicContact CD1-CB 4.33Å; K573-F576 HydrophobicContact CB-CB 4.29Å; K573-F576 HydrophobicContact CB-CD2 3.87Å; K573-F576 HydrophobicContact CD-CD2 3.77Å; K573-F576 HydrophobicContact CD-CE2 3.86Å; K573-F576 HydrophobicContact CG-CD2 4.47Å; K573-F576 WeakPolarHBondContact O-CB 3.11Å; K573-F576 PolarHBondContact O-N 3.31Å; F576-G578 VanDerWaalsContact C-N 3.3Å; F576-G578 PolarHBondContact O-N 2.89Å; F576-Q579 PolarHBondContact O-N 3.34Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.32Å
577T82.2Confident80.6Confident8 Ų854 Ų545%0.04926%0.261CS..Hα-helixtrans-65.3-37.6178.563.90000111L495 D572 K573 Q574 C581L495-T577 HydrophobicContact CD2-CG2 3.66Å; D572-T577 WeakPolarHBondContact OD1-CG2 3.3Å; K573-T577 PolarHBondContact O-N 2.82Å; Q574-T577 WeakPolarHBondContact CA-OG1 3.43Å; Q574-T577 PolarHBondContact O-N 2.89Å; Q574-T577 PolarHBondContact O-OG1 2.86Å; T577-C581 PolarHBondContact O-N 2.94Å; T577-C581 PolarHBondContact O-SG 2.87Å
578G85.6Confident81.4Confident4 Ų449.4 Ų49.44%0.04124%0.235CC..Hα-helixtrans-61.6-51.1172.300000113.4Q574 D575 F576 L580 C581 L582 V615Q574-G578 PolarHBondContact O-N 3.28Å; D575-G578 PolarHBondContact O-N 2.86Å; F576-G578 VanDerWaalsContact C-N 3.3Å; F576-G578 PolarHBondContact O-N 2.89Å; G578-L580 VanDerWaalsContact C-N 3.35Å; G578-L580 PolarHBondContact O-N 2.75Å; G578-C581 WeakPolarHBondContact O-CB 3.43Å; G578-C581 PolarHBondContact O-N 3.16Å; G578-L582 PolarHBondContact O-N 3.48Å; G578-L582 VanDerWaalsContact O-N 3.12Å; G578-V615 WeakPolarHBondContact O-CG2 3.4Å
579Q87.6Confident82.4Confident21 Ų2148.8 Ų48.810%0.09823%0.231CC..Hα-helixtrans-65.3-37178.7-56.8-49.6-13.600112.5K387 P388 F391 D575 F576 C581 L582 F583K387-Q579 VanDerWaalsContact C-OE1 3.24Å; K387-Q579 VanDerWaalsContact CB-OE1 3.29Å; P388-Q579 HydrophobicContact CB-CB 4.34Å; P388-Q579 VanDerWaalsContact CD-OE1 3.3Å; P388-Q579 HydrophobicContact CG-CB 4.24Å; P388-Q579 VanDerWaalsContact N-OE1 3.12Å; F391-Q579 HydrophobicContact CB-CG 3.84Å; F391-Q579 HydrophobicContact CD1-CB 4.27Å; F391-Q579 HydrophobicContact CD1-CG 3.58Å; F391-Q579 HydrophobicContact CD2-CG 4.22Å; F391-Q579 HydrophobicContact CE1-CG 4.09Å; F391-Q579 HydrophobicContact CG-CG 3.63Å; D575-Q579 WeakPolarHBondContact O-CG 3.47Å; D575-Q579 PolarHBondContact O-N 3.14Å; F576-Q579 PolarHBondContact O-N 3.34Å; Q579-C581 VanDerWaalsContact C-N 3.34Å; Q579-C581 PolarHBondContact O-N 2.86Å; Q579-L582 PolarHBondContact O-N 3.13Å; Q579-F583 WeakPolarHBondContact O-CB 3.18Å; Q579-F583 PolarHBondContact O-N 3.08Å
580L89Confident84.1Confident44 Ų4443.9 Ų43.923%0.2322%0.217CC..Hα-helixtrans-58.8-47173.117864.8000110.8L495 L499 F576 G578 L582 F583 S584L495-L580 HydrophobicContact CD2-CB 4.44Å; L495-L580 HydrophobicContact CD2-CD2 3.66Å; L499-L580 HydrophobicContact CD1-CD1 4.49Å; L499-L580 HydrophobicContact CD1-CD2 3.87Å; L499-L580 HydrophobicContact CG-CD2 4.2Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.32Å; G578-L580 VanDerWaalsContact C-N 3.35Å; G578-L580 PolarHBondContact O-N 2.75Å; L580-L582 PolarHBondContact O-N 3.47Å; L580-F583 PolarHBondContact O-N 3.22Å; L580-S584 WeakPolarHBondContact O-CB 3.49Å; L580-S584 PolarHBondContact O-N 3.45Å; L580-S584 PolarHBondContact O-OG 2.88Å; L580-S584 VanDerWaalsContact O-OG 3.09Å
581C91.3Very high85.9Confident3 Ų338.1 Ų38.12%0.0220%0.198CC..Hα-helixtrans-56.5-48.1177.2-69.60000111.8T577 G578 Q579 F583 S584 W585 T709T577-C581 PolarHBondContact O-N 2.94Å; T577-C581 PolarHBondContact O-SG 2.87Å; G578-C581 WeakPolarHBondContact O-CB 3.43Å; G578-C581 PolarHBondContact O-N 3.16Å; Q579-C581 VanDerWaalsContact C-N 3.34Å; Q579-C581 PolarHBondContact O-N 2.86Å; C581-F583 PolarHBondContact O-N 3.46Å; C581-S584 PolarHBondContact O-N 2.86Å; C581-W585 WeakPolarHBondContact O-CB 3.45Å; C581-W585 VanDerWaalsContact O-CD1 3.26Å; C581-W585 PolarHBondContact O-N 3.12Å; C581-T709 HydrophobicContact CB-CG2 3.7Å
582L92.8Very high87.5Confident1 Ų137.7 Ų37.71%0.00519%0.194CC..Hα-helixtrans-61.2-43.5177.9-71.1176.7000112.5L384 K387 P388 G578 Q579 L580 A586 L611 V615L384-L582 HydrophobicContact CD2-CD2 3.78Å; K387-L582 HydrophobicContact CB-CD1 3.93Å; K387-L582 HydrophobicContact CD-CD1 3.92Å; K387-L582 HydrophobicContact CG-CD1 4.45Å; P388-L582 HydrophobicContact CG-CB 3.78Å; P388-L582 HydrophobicContact CG-CD1 4.41Å; G578-L582 PolarHBondContact O-N 3.48Å; G578-L582 VanDerWaalsContact O-N 3.12Å; Q579-L582 PolarHBondContact O-N 3.13Å; L580-L582 PolarHBondContact O-N 3.47Å; L582-A586 VanDerWaalsContact O-CB 3.29Å; L582-A586 WeakPolarHBondContact O-CB 3.45Å; L582-A586 PolarHBondContact O-N 3.02Å; L582-L611 HydrophobicContact CD2-CB 3.86Å; L582-V615 HydrophobicContact CD1-CB 3.8Å; L582-V615 HydrophobicContact CD1-CG1 4.11Å; L582-V615 HydrophobicContact CD1-CG2 3.71Å; L582-V615 HydrophobicContact CD2-CG2 4.28Å; L582-V615 HydrophobicContact CG-CB 4.38Å; L582-V615 HydrophobicContact CG-CG2 3.75Å
583F93.4Very high89.2Confident96 Ų9636 Ų3642%0.42119%0.186SC..Hα-helixtrans-65.9-44.5179.1-175.7-110.4000111.9L385 P388 Q579 L580 C581 A586 L587L385-F583 HydrophobicContact CD2-CD2 3.77Å; L385-F583 HydrophobicContact CD2-CE2 4.28Å; P388-F583 HydrophobicContact CB-CB 4.49Å; P388-F583 HydrophobicContact CG-CB 4.34Å; Q579-F583 WeakPolarHBondContact O-CB 3.18Å; Q579-F583 PolarHBondContact O-N 3.08Å; L580-F583 PolarHBondContact O-N 3.22Å; C581-F583 PolarHBondContact O-N 3.46Å; F583-A586 PolarHBondContact O-N 3.26Å; F583-L587 HydrophobicContact CD1-CD1 3.92Å; F583-L587 HydrophobicContact CE1-CD1 3.47Å; F583-L587 VanDerWaalsContact CE1-CD1 3.47Å; F583-L587 HydrophobicContact CE1-CG 4.23Å; F583-L587 HydrophobicContact CE2-CG 4.45Å; F583-L587 HydrophobicContact CZ-CD1 3.81Å; F583-L587 HydrophobicContact CZ-CD2 4.38Å; F583-L587 HydrophobicContact CZ-CG 4.18Å; F583-L587 WeakPolarHBondContact O-CB 3.37Å; F583-L587 WeakPolarHBondContact O-CG 3.32Å; F583-L587 PolarHBondContact O-N 3.27Å
584S94.1Very high90.2Very high19 Ų1935.2 Ų35.213%0.13319%0.193CC..Hα-helixtrans-64.2-40.6176.2-610000112.6L580 C581 F588L580-S584 WeakPolarHBondContact O-CB 3.49Å; L580-S584 PolarHBondContact O-N 3.45Å; L580-S584 PolarHBondContact O-OG 2.88Å; L580-S584 VanDerWaalsContact O-OG 3.09Å; C581-S584 PolarHBondContact O-N 2.86Å; S584-F588 WeakPolarHBondContact O-CB 3.46Å; S584-F588 PolarHBondContact O-N 2.96Å
585W95.3Very high91.2Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-66.1-40.1173.3-88.1102000112.5L384 C581 F588 L589 T607 L611 W640 Y702 L705 W706L384-W585 HydrophobicContact CD1-CB 4.13Å; C581-W585 WeakPolarHBondContact O-CB 3.45Å; C581-W585 VanDerWaalsContact O-CD1 3.26Å; C581-W585 PolarHBondContact O-N 3.12Å; W585-F588 HydrophobicContact CE3-CD1 4.12Å; W585-F588 HydrophobicContact CZ3-CD1 4.1Å; W585-F588 HydrophobicContact CZ3-CE1 4.17Å; W585-F588 PolarHBondContact O-N 3.46Å; W585-L589 WeakPolarHBondContact O-CB 3.49Å; W585-L589 WeakPolarHBondContact O-CG 3.36Å; W585-L589 PolarHBondContact O-N 3.27Å; W585-T607 HydrophobicContact CH2-CG2 4.03Å; W585-T607 HydrophobicContact CZ3-CG2 3.98Å; W585-L611 HydrophobicContact CB-CD1 3.73Å; W585-L611 HydrophobicContact CD2-CD1 3.84Å; W585-L611 HydrophobicContact CE3-CD1 4.29Å; W585-L611 HydrophobicContact CG-CD1 3.58Å; W585-L611 HydrophobicContact CG-CD2 4.06Å; W585-L611 HydrophobicContact CG-CG 4.5Å; W585-W640 AromaticContact CZ2-CH2 3.84Å; W585-W640 HydrophobicContact CZ2-CH2 3.84Å; W585-W640 AromaticContact CZ2-CZ2 3.76Å; W585-W640 HydrophobicContact CZ2-CZ2 3.76Å; W585-Y702 AromaticContact CH2-CD2 3.59Å; W585-Y702 HydrophobicContact CH2-CD2 3.59Å; W585-Y702 AromaticContact CH2-CE2 3.57Å; W585-Y702 HydrophobicContact CH2-CE2 3.57Å; W585-Y702 HydrophobicContact CH2-CG 4.28Å; W585-Y702 AromaticContact CZ3-CD2 3.95Å; W585-Y702 HydrophobicContact CZ3-CD2 3.95Å; W585-Y702 HydrophobicContact CZ3-CE2 4.02Å; W585-L705 HydrophobicContact CD2-CB 4.16Å; W585-L705 HydrophobicContact CH2-CB 4.27Å; W585-L705 HydrophobicContact CZ2-CB 3.68Å; W585-L705 PolarHBondContact NE1-O 3.18Å; W585-W706 HydrophobicContact CZ2-CB 4.41Å
586A95.8Very high92Very high1 Ų132.5 Ų32.51%0.00818%0.182CC..Hα-helixtrans-65.2-42.6176.200000112.4I381 L384 L385 L582 F583 S590I381-A586 HydrophobicContact CG2-CB 4.16Å; L384-A586 HydrophobicContact CB-CB 3.98Å; L384-A586 HydrophobicContact CD1-CB 4.31Å; L385-A586 HydrophobicContact CD1-CB 4.42Å; L385-A586 HydrophobicContact CD2-CB 3.46Å; L385-A586 VanDerWaalsContact CD2-CB 3.46Å; L385-A586 HydrophobicContact CG-CB 3.67Å; L582-A586 VanDerWaalsContact O-CB 3.29Å; L582-A586 WeakPolarHBondContact O-CB 3.45Å; L582-A586 PolarHBondContact O-N 3.02Å; F583-A586 PolarHBondContact O-N 3.26Å; A586-S590 VanDerWaalsContact O-CB 3.31Å; A586-S590 WeakPolarHBondContact O-CB 3.5Å; A586-S590 PolarHBondContact O-N 3.49Å; A586-S590 PolarHBondContact O-OG 3.29Å
587L95.2Very high92.6Very high84 Ų8430.4 Ų30.444%0.4417%0.173SC..Hα-helixtrans-61.5-48.3173.3-75.5177.7000111.4F583 S590 C591F583-L587 HydrophobicContact CD1-CD1 3.92Å; F583-L587 HydrophobicContact CE1-CD1 3.47Å; F583-L587 VanDerWaalsContact CE1-CD1 3.47Å; F583-L587 HydrophobicContact CE1-CG 4.23Å; F583-L587 HydrophobicContact CE2-CG 4.45Å; F583-L587 HydrophobicContact CZ-CD1 3.81Å; F583-L587 HydrophobicContact CZ-CD2 4.38Å; F583-L587 HydrophobicContact CZ-CG 4.18Å; F583-L587 WeakPolarHBondContact O-CB 3.37Å; F583-L587 WeakPolarHBondContact O-CG 3.32Å; F583-L587 PolarHBondContact O-N 3.27Å; L587-S590 PolarHBondContact O-N 2.8Å; L587-C591 PolarHBondContact O-N 2.87Å; L587-C591 PolarHBondContact O-SG 3.48Å; L587-C591 VanDerWaalsContact O-SG 3.35Å
588F95.9Very high93.3Very high33 Ų3330 Ų3015%0.14517%0.171CC..Hα-helixtrans-60.3-47.6178.7170.3-106.1000112.6S584 W585 S590 C591 L592 L603 V697 L705S584-F588 WeakPolarHBondContact O-CB 3.46Å; S584-F588 PolarHBondContact O-N 2.96Å; W585-F588 HydrophobicContact CE3-CD1 4.12Å; W585-F588 HydrophobicContact CZ3-CD1 4.1Å; W585-F588 HydrophobicContact CZ3-CE1 4.17Å; W585-F588 PolarHBondContact O-N 3.46Å; F588-S590 VanDerWaalsContact C-N 3.29Å; F588-S590 PolarHBondContact O-N 3.2Å; F588-C591 PolarHBondContact O-N 3.35Å; F588-L592 HydrophobicContact CE1-CD2 4.31Å; F588-L592 HydrophobicContact CZ-CD2 4.13Å; F588-L592 VanDerWaalsContact O-CB 3.25Å; F588-L592 WeakPolarHBondContact O-CB 3.38Å; F588-L592 PolarHBondContact O-N 3.28Å; F588-L603 HydrophobicContact CE1-CD1 4.31Å; F588-L603 HydrophobicContact CZ-CD1 4.5Å; F588-V697 HydrophobicContact CE2-CG1 4.32Å; F588-V697 HydrophobicContact CZ-CG1 3.97Å; F588-L705 HydrophobicContact CB-CD1 3.31Å; F588-L705 HydrophobicContact CD1-CD1 3.71Å; F588-L705 HydrophobicContact CD2-CD1 3.92Å; F588-L705 HydrophobicContact CG-CD1 3.36Å
589L96.3Very high93.6Very high0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-65.9-31176.6-68.9173.4000112.1I381 L384 W585 A593 L603 A604 V608I381-L589 HydrophobicContact CD1-CB 4.04Å; I381-L589 HydrophobicContact CG1-CB 3.99Å; I381-L589 HydrophobicContact CG2-CB 4.41Å; L384-L589 HydrophobicContact CD1-CD1 4.04Å; W585-L589 WeakPolarHBondContact O-CB 3.49Å; W585-L589 WeakPolarHBondContact O-CG 3.36Å; W585-L589 PolarHBondContact O-N 3.27Å; L589-A593 WeakPolarHBondContact O-CB 3.41Å; L589-A593 PolarHBondContact O-N 2.85Å; L589-L603 HydrophobicContact CD2-CB 4.21Å; L589-A604 HydrophobicContact CD1-CB 4.28Å; L589-A604 HydrophobicContact CD2-CB 4.49Å; L589-V608 HydrophobicContact CD1-CG2 3.89Å
590S95.5Very high94Very high35 Ų3529.4 Ų29.425%0.24517%0.168CC..Hα-helixtrans-69.8-47.2174.2-580000112.1A586 L587 F588 A593 C594A586-S590 VanDerWaalsContact O-CB 3.31Å; A586-S590 WeakPolarHBondContact O-CB 3.5Å; A586-S590 PolarHBondContact O-N 3.49Å; A586-S590 PolarHBondContact O-OG 3.29Å; L587-S590 PolarHBondContact O-N 2.8Å; F588-S590 VanDerWaalsContact C-N 3.29Å; F588-S590 PolarHBondContact O-N 3.2Å; S590-A593 WeakPolarHBondContact O-CB 3.14Å; S590-A593 PolarHBondContact O-N 2.89Å; S590-C594 PolarHBondContact O-N 2.72Å; S590-C594 VanDerWaalsContact O-N 3.1Å; S590-C594 PolarHBondContact O-SG 3.2Å; S590-C594 VanDerWaalsContact O-SG 3.36Å
591C94.9Very high94.3Very high78 Ų7827.5 Ų27.553%0.52716%0.158SC..Hα-helixtrans-63.7-43.7176.5-67.40000111.2L587 F588 A593 C594 L595L587-C591 PolarHBondContact O-N 2.87Å; L587-C591 PolarHBondContact O-SG 3.48Å; L587-C591 VanDerWaalsContact O-SG 3.35Å; F588-C591 PolarHBondContact O-N 3.35Å; C591-A593 VanDerWaalsContact C-N 3.3Å; C591-A593 PolarHBondContact O-N 2.96Å; C591-C594 PolarHBondContact O-N 3.44Å; C591-L595 WeakPolarHBondContact O-CG 3.07Å; C591-L595 PolarHBondContact O-N 2.93Å
592L94.4Very high94.4Very high5 Ų529.6 Ų29.63%0.02617%0.171CC..Hα-helixtrans-64.3-35.5174.3-173.461.1000111.4F588 C594 L595 N596 A600 L603 V697F588-L592 HydrophobicContact CE1-CD2 4.31Å; F588-L592 HydrophobicContact CZ-CD2 4.13Å; F588-L592 VanDerWaalsContact O-CB 3.25Å; F588-L592 WeakPolarHBondContact O-CB 3.38Å; F588-L592 PolarHBondContact O-N 3.28Å; L592-C594 VanDerWaalsContact C-N 3.3Å; L592-C594 PolarHBondContact O-N 2.93Å; L592-L595 PolarHBondContact O-N 2.94Å; L592-L595 VanDerWaalsContact O-N 3.14Å; L592-N596 CarbonylContact O-C 3.52Å; L592-N596 PolarHBondContact O-N 2.69Å; L592-N596 VanDerWaalsContact O-O 3.08Å; L592-A600 HydrophobicContact CB-CB 4.21Å; L592-A600 HydrophobicContact CD2-CB 4.32Å; L592-A600 HydrophobicContact CG-CB 4.05Å; L592-L603 HydrophobicContact CD2-CD1 3.69Å; L592-V697 HydrophobicContact CD1-CG1 4Å; L592-V697 HydrophobicContact CD1-CG2 4.3Å; L592-V697 HydrophobicContact CD2-CG1 4.14Å
593A94.1Very high94.3Very high5 Ų530.6 Ų30.64%0.04118%0.176CC..Hα-helixtrans-64.8-32.817600000113.1I381 L589 S590 C591 I597 A600I381-A593 HydrophobicContact CD1-CB 4.15Å; L589-A593 WeakPolarHBondContact O-CB 3.41Å; L589-A593 PolarHBondContact O-N 2.85Å; S590-A593 WeakPolarHBondContact O-CB 3.14Å; S590-A593 PolarHBondContact O-N 2.89Å; C591-A593 VanDerWaalsContact C-N 3.3Å; C591-A593 PolarHBondContact O-N 2.96Å; A593-I597 HydrophobicContact CB-CD1 3.69Å; A593-I597 PolarHBondContact O-N 3.24Å; A593-A600 HydrophobicContact CB-CB 3.84Å
594C92.3Very high94.4Very high98 Ų9826 Ų2666%0.66216%0.156SC*.Hα-helixtrans-74.2-24.9173.2-64.40000113.6S590 C591 L592S590-C594 PolarHBondContact O-N 2.72Å; S590-C594 VanDerWaalsContact O-N 3.1Å; S590-C594 PolarHBondContact O-SG 3.2Å; S590-C594 VanDerWaalsContact O-SG 3.36Å; C591-C594 PolarHBondContact O-N 3.44Å; L592-C594 VanDerWaalsContact C-N 3.3Å; L592-C594 PolarHBondContact O-N 2.93Å
595L91.5Very high94.3Very high94 Ų9428.7 Ų28.749%0.49217%0.168SC..Hα-helixtrans-90-57.6179.4-69.3174.6000111.7C591 L592 W693C591-L595 WeakPolarHBondContact O-CG 3.07Å; C591-L595 PolarHBondContact O-N 2.93Å; L592-L595 PolarHBondContact O-N 2.94Å; L592-L595 VanDerWaalsContact O-N 3.14Å; L595-W693 HydrophobicContact CB-CE3 4.26Å; L595-W693 HydrophobicContact CB-CZ3 3.77Å; L595-W693 HydrophobicContact CD2-CH2 3.9Å; L595-W693 HydrophobicContact CD2-CZ3 3.88Å; L595-W693 HydrophobicContact CG-CZ3 4.27Å
596N93.9Very high94.1Very high3 Ų330.8 Ų30.82%0.01618%0.181CC..  trans-142.295.7173.5-177-14.2000109.8Q293 N296 L592 S598 S599 A600Q293-N596 PolarHBondContact O-ND2 3.07Å; N296-N596 PolarHBondContact OD1-ND2 3.03Å; L592-N596 CarbonylContact O-C 3.52Å; L592-N596 PolarHBondContact O-N 2.69Å; L592-N596 VanDerWaalsContact O-O 3.08Å; N596-S598 PolarHBondContact O-N 2.95Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 WeakPolarHBondContact OD1-CB 3.29Å; N596-S598 PolarHBondContact OD1-N 3.38Å; N596-S599 PolarHBondContact O-N 2.91Å; N596-S599 VanDerWaalsContact O-N 3.1Å; N596-S599 PolarHBondContact OD1-N 3.25Å; N596-A600 PolarHBondContact O-N 2.72Å; N596-A600 VanDerWaalsContact O-N 3.1Å
597I94.5Very high93.9Very high7 Ų730.7 Ų30.74%0.03618%0.181CC..Hα-helixtrans-50-37.2177.5-168.963.8000113.5F360 Y373 M374 V377 A593 A600 V601F360-I597 HydrophobicContact CE2-CG2 4.28Å; F360-I597 HydrophobicContact CZ-CG2 3.87Å; Y373-I597 HydrophobicContact CD2-CG1 3.87Å; Y373-I597 HydrophobicContact CD2-CG2 4.38Å; Y373-I597 HydrophobicContact CE2-CB 3.97Å; Y373-I597 HydrophobicContact CE2-CG1 3.72Å; Y373-I597 HydrophobicContact CE2-CG2 3.61Å; M374-I597 HydrophobicContact SD-CD1 3.62Å; M374-I597 HydrophobicContact SD-CG1 4.26Å; V377-I597 HydrophobicContact CB-CD1 3.87Å; V377-I597 HydrophobicContact CG1-CD1 3.68Å; V377-I597 HydrophobicContact CG2-CD1 3.97Å; V377-I597 HydrophobicContact CG2-CG1 4.28Å; A593-I597 HydrophobicContact CB-CD1 3.69Å; A593-I597 PolarHBondContact O-N 3.24Å; I597-A600 PolarHBondContact O-N 3.09Å; I597-V601 WeakPolarHBondContact O-CG2 3.47Å; I597-V601 PolarHBondContact O-N 3.34Å
598S95.2Very high93.8Very high0 Ų026.7 Ų26.70%016%0.16CC..Hα-helixtrans-72.8-39.1-177.3-74.10000112V290 Q293 F360 N596 A600 V601 V602V290-S598 WeakPolarHBondContact CA-OG 3.1Å; V290-S598 WeakPolarHBondContact O-CB 3.16Å; Q293-S598 PolarHBondContact OE1-OG 3.34Å; F360-S598 WeakPolarHBondContact CE1-OG 3.11Å; F360-S598 WeakPolarHBondContact CZ-OG 3.35Å; N596-S598 PolarHBondContact O-N 2.95Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 WeakPolarHBondContact OD1-CB 3.29Å; N596-S598 PolarHBondContact OD1-N 3.38Å; S598-A600 VanDerWaalsContact C-N 3.31Å; S598-A600 PolarHBondContact O-N 3Å; S598-V601 PolarHBondContact O-N 3.46Å; S598-V602 WeakPolarHBondContact O-CB 3.3Å; S598-V602 VanDerWaalsContact O-CG2 3.29Å; S598-V602 WeakPolarHBondContact O-CG2 3.48Å; S598-V602 PolarHBondContact O-N 3.23Å
599S93.5Very high93.6Very high12 Ų1226.2 Ų26.28%0.08416%0.16CC..Hα-helixtrans-63.6-40.3173-146.80000110.6G294 N596 V602 L603G294-S599 WeakPolarHBondContact O-CB 3.43Å; G294-S599 PolarHBondContact O-OG 3.17Å; N596-S599 PolarHBondContact O-N 2.91Å; N596-S599 VanDerWaalsContact O-N 3.1Å; N596-S599 PolarHBondContact OD1-N 3.25Å; S599-V602 PolarHBondContact O-N 3.06Å; S599-L603 WeakPolarHBondContact O-CG 3.32Å; S599-L603 PolarHBondContact O-N 2.97Å
600A95.2Very high93.3Very high0 Ų027.7 Ų27.70%017%0.168CC..Hα-helixtrans-62.8-43.8173.600000113.1L592 A593 N596 I597 S598 L603 A604L592-A600 HydrophobicContact CB-CB 4.21Å; L592-A600 HydrophobicContact CD2-CB 4.32Å; L592-A600 HydrophobicContact CG-CB 4.05Å; A593-A600 HydrophobicContact CB-CB 3.84Å; N596-A600 PolarHBondContact O-N 2.72Å; N596-A600 VanDerWaalsContact O-N 3.1Å; I597-A600 PolarHBondContact O-N 3.09Å; S598-A600 VanDerWaalsContact C-N 3.31Å; S598-A600 PolarHBondContact O-N 3Å; A600-L603 PolarHBondContact O-N 2.82Å; A600-A604 WeakPolarHBondContact O-CB 3.48Å; A600-A604 PolarHBondContact O-N 3.26Å
601V95.5Very high93.1Very high3 Ų326.1 Ų26.12%0.01816%0.157CC..Hα-helixtrans-63.6-47.1176.5169.10000111.6F33 V290 V377 I597 S598 L603 A604 I605F33-V601 HydrophobicContact CE1-CG1 4.26Å; F33-V601 HydrophobicContact CE2-CG2 4.27Å; F33-V601 HydrophobicContact CZ-CG2 4.31Å; V290-V601 HydrophobicContact CG1-CB 4.44Å; V290-V601 HydrophobicContact CG1-CG1 4.21Å; V377-V601 HydrophobicContact CB-CG2 4.29Å; V377-V601 HydrophobicContact CG1-CG2 3.75Å; V377-V601 HydrophobicContact CG2-CG2 3.48Å; V377-V601 VanDerWaalsContact CG2-CG2 3.48Å; I597-V601 WeakPolarHBondContact O-CG2 3.47Å; I597-V601 PolarHBondContact O-N 3.34Å; S598-V601 PolarHBondContact O-N 3.46Å; V601-L603 VanDerWaalsContact C-N 3.32Å; V601-L603 PolarHBondContact O-N 3.48Å; V601-A604 PolarHBondContact O-N 3.1Å; V601-I605 HydrophobicContact CG1-CD1 3.95Å; V601-I605 WeakPolarHBondContact O-CG1 3.34Å; V601-I605 PolarHBondContact O-N 3.4Å; V601-I605 VanDerWaalsContact O-N 3.11Å
602V93.1Very high92.7Very high48 Ų4822.4 Ų22.429%0.29113%0.132SC..Hα-helixtrans-60.6-39.8179.5169.80000111.6V290 S598 S599 P606V290-V602 HydrophobicContact CG1-CG2 3.95Å; S598-V602 WeakPolarHBondContact O-CB 3.3Å; S598-V602 VanDerWaalsContact O-CG2 3.29Å; S598-V602 WeakPolarHBondContact O-CG2 3.48Å; S598-V602 PolarHBondContact O-N 3.23Å; S599-V602 PolarHBondContact O-N 3.06Å; V602-P606 WeakPolarHBondContact O-CD 3.49Å
603L91.9Very high92.2Very high22 Ų2224.8 Ų24.812%0.11514%0.144CC..Hα-helixtrans-76.9-32.1175.3-65.1179.5000113.1F588 L589 L592 S599 A600 V601 P606 T607 Y702F588-L603 HydrophobicContact CE1-CD1 4.31Å; F588-L603 HydrophobicContact CZ-CD1 4.5Å; L589-L603 HydrophobicContact CD2-CB 4.21Å; L592-L603 HydrophobicContact CD2-CD1 3.69Å; S599-L603 WeakPolarHBondContact O-CG 3.32Å; S599-L603 PolarHBondContact O-N 2.97Å; A600-L603 PolarHBondContact O-N 2.82Å; V601-L603 VanDerWaalsContact C-N 3.32Å; V601-L603 PolarHBondContact O-N 3.48Å; L603-P606 WeakPolarHBondContact O-CD 3.38Å; L603-T607 WeakPolarHBondContact O-CB 3.38Å; L603-T607 WeakPolarHBondContact O-CG2 3.32Å; L603-T607 PolarHBondContact O-N 3.38Å; L603-T607 PolarHBondContact O-OG1 3.31Å; L603-Y702 HydrophobicContact CD1-CD2 4.02Å; L603-Y702 HydrophobicContact CD2-CD2 3.98Å; L603-Y702 HydrophobicContact CD2-CE2 3.83Å
604A94Very high91.4Very high0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-67.5-39.3-179.600000112.8M380 L589 A600 V601 T607 V608M380-A604 HydrophobicContact CE-CB 4.07Å; L589-A604 HydrophobicContact CD1-CB 4.28Å; L589-A604 HydrophobicContact CD2-CB 4.49Å; A600-A604 WeakPolarHBondContact O-CB 3.48Å; A600-A604 PolarHBondContact O-N 3.26Å; V601-A604 PolarHBondContact O-N 3.1Å; A604-T607 PolarHBondContact O-N 2.91Å; A604-V608 HydrophobicContact CB-CG2 3.82Å; A604-V608 VanDerWaalsContact O-CB 3.27Å; A604-V608 WeakPolarHBondContact O-CB 3.24Å; A604-V608 WeakPolarHBondContact O-CG2 3.46Å; A604-V608 PolarHBondContact O-N 2.93Å
605I93.3Very high90.4Very high75 Ų7522.9 Ų22.939%0.38513%0.125SC..Hα-helixtrans-52.4-50.2-177.8-72.6162.3000113.2Y26 L30 M380 V601 P609Y26-I605 WeakPolarHBondContact OH-CA 3.35Å; Y26-I605 PolarHBondContact OH-O 3.23Å; L30-I605 HydrophobicContact CD1-CD1 4.31Å; L30-I605 HydrophobicContact CD1-CG1 4Å; M380-I605 HydrophobicContact CE-CG1 4.34Å; V601-I605 HydrophobicContact CG1-CD1 3.95Å; V601-I605 WeakPolarHBondContact O-CG1 3.34Å; V601-I605 PolarHBondContact O-N 3.4Å; V601-I605 VanDerWaalsContact O-N 3.11Å; I605-P609 VanDerWaalsContact O-CD 3.26Å; I605-P609 WeakPolarHBondContact O-CD 3.44Å; I605-P609 VanDerWaalsContact O-CG 3.31Å; I605-P609 WeakPolarHBondContact O-CG 3.27Å
606P90.2Very high89.2Confident43 Ų4321.2 Ų21.228%0.27912%0.115SC..Hα-helixtrans-80.9-36175.230-35.1000113.7V602 L603 L610 T643V602-P606 WeakPolarHBondContact O-CD 3.49Å; L603-P606 WeakPolarHBondContact O-CD 3.38Å; P606-L610 WeakPolarHBondContact O-CD1 3.4Å; P606-L610 WeakPolarHBondContact O-CG 3.37Å; P606-T643 HydrophobicContact CB-CG2 3.94Å
607T92Very high87.5Confident0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-79.6-46.7-170.758.10000113.6W585 L603 A604 L610 L611 W640 Y702W585-T607 HydrophobicContact CH2-CG2 4.03Å; W585-T607 HydrophobicContact CZ3-CG2 3.98Å; L603-T607 WeakPolarHBondContact O-CB 3.38Å; L603-T607 WeakPolarHBondContact O-CG2 3.32Å; L603-T607 PolarHBondContact O-N 3.38Å; L603-T607 PolarHBondContact O-OG1 3.31Å; A604-T607 PolarHBondContact O-N 2.91Å; T607-L610 PolarHBondContact O-N 3.37Å; T607-L610 VanDerWaalsContact O-N 3.15Å; T607-L611 WeakPolarHBondContact O-CB 3.38Å; T607-L611 VanDerWaalsContact O-CG 3.26Å; T607-L611 WeakPolarHBondContact O-CG 3.17Å; T607-L611 PolarHBondContact O-N 3.47Å; T607-W640 HydrophobicContact CG2-CH2 4.27Å; T607-W640 HydrophobicContact CG2-CZ3 4.47Å; T607-Y702 HydrophobicContact CG2-CE2 3.94Å
608V93.7Very high85.5Confident0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-56.8-45.6-174.61750000113.9Y26 S383 L384 L589 A604 N612Y26-V608 HydrophobicContact CD2-CB 3.83Å; Y26-V608 HydrophobicContact CD2-CG1 3.45Å; Y26-V608 VanDerWaalsContact CD2-CG1 3.45Å; Y26-V608 HydrophobicContact CE2-CB 4.03Å; Y26-V608 HydrophobicContact CE2-CG1 4.16Å; Y26-V608 HydrophobicContact CG-CG1 3.95Å; S383-V608 WeakPolarHBondContact OG-CG1 3.37Å; L384-V608 HydrophobicContact CD1-CG2 4.14Å; L384-V608 HydrophobicContact CD2-CG1 4.1Å; L384-V608 HydrophobicContact CG-CG1 4.28Å; L384-V608 HydrophobicContact CG-CG2 4.36Å; L589-V608 HydrophobicContact CD1-CG2 3.89Å; A604-V608 HydrophobicContact CB-CG2 3.82Å; A604-V608 VanDerWaalsContact O-CB 3.27Å; A604-V608 WeakPolarHBondContact O-CB 3.24Å; A604-V608 WeakPolarHBondContact O-CG2 3.46Å; A604-V608 PolarHBondContact O-N 2.93Å; V608-N612 WeakPolarHBondContact O-CB 3.37Å; V608-N612 PolarHBondContact O-N 2.73Å; V608-N612 PolarHBondContact O-ND2 3.28Å
609P91.6Very high83.3Confident23 Ų2333.8 Ų33.815%0.14917%0.171CC..Hα-helixtrans-67.2-37.4176.924.7-33.5000112.6F23 Y26 I605 N612 L613F23-P609 HydrophobicContact CE1-CB 3.56Å; F23-P609 HydrophobicContact CZ-CB 3.74Å; F23-P609 WeakPolarHBondContact CZ-O 3.11Å; Y26-P609 HydrophobicContact CE1-CB 4.25Å; Y26-P609 HydrophobicContact CE1-CG 4.2Å; I605-P609 VanDerWaalsContact O-CD 3.26Å; I605-P609 WeakPolarHBondContact O-CD 3.44Å; I605-P609 VanDerWaalsContact O-CG 3.31Å; I605-P609 WeakPolarHBondContact O-CG 3.27Å; P609-N612 PolarHBondContact O-N 3.42Å; P609-L613 PolarHBondContact O-N 2.92Å
610L90.2Very high81Confident30 Ų3038 Ų3816%0.15719%0.189CC..Hα-helixtrans-67.3-44.1178-68.4173.5000111.8P606 T607 N612 L613 F614 G639 W640 T643P606-L610 WeakPolarHBondContact O-CD1 3.4Å; P606-L610 WeakPolarHBondContact O-CG 3.37Å; T607-L610 PolarHBondContact O-N 3.37Å; T607-L610 VanDerWaalsContact O-N 3.15Å; L610-N612 VanDerWaalsContact C-N 3.31Å; L610-N612 PolarHBondContact O-N 2.97Å; L610-L613 PolarHBondContact O-N 2.92Å; L610-L613 VanDerWaalsContact O-N 3.12Å; L610-F614 WeakPolarHBondContact O-CB 3.45Å; L610-F614 PolarHBondContact O-N 3.14Å; L610-G639 WeakPolarHBondContact CD1-O 3.37Å; L610-W640 HydrophobicContact CB-CE3 3.8Å; L610-W640 HydrophobicContact CB-CZ3 3.92Å; L610-W640 HydrophobicContact CD1-CE3 3.97Å; L610-W640 HydrophobicContact CD1-CZ3 4.39Å; L610-T643 HydrophobicContact CD1-CG2 3.61Å
611L90.2Very high78.5Confident2 Ų243.5 Ų43.51%0.0122%0.216CC..Hα-helixtrans-58.9-41.5173-70.9168.6000111.6L384 L582 W585 T607 L613 F614 V615 W640 T709L384-L611 HydrophobicContact CD1-CD1 4.01Å; L384-L611 HydrophobicContact CD2-CB 3.6Å; L384-L611 HydrophobicContact CD2-CD1 3.92Å; L384-L611 HydrophobicContact CD2-CG 4.42Å; L582-L611 HydrophobicContact CD2-CB 3.86Å; W585-L611 HydrophobicContact CB-CD1 3.73Å; W585-L611 HydrophobicContact CD2-CD1 3.84Å; W585-L611 HydrophobicContact CE3-CD1 4.29Å; W585-L611 HydrophobicContact CG-CD1 3.58Å; W585-L611 HydrophobicContact CG-CD2 4.06Å; W585-L611 HydrophobicContact CG-CG 4.5Å; T607-L611 WeakPolarHBondContact O-CB 3.38Å; T607-L611 VanDerWaalsContact O-CG 3.26Å; T607-L611 WeakPolarHBondContact O-CG 3.17Å; T607-L611 PolarHBondContact O-N 3.47Å; L611-L613 VanDerWaalsContact C-N 3.3Å; L611-L613 PolarHBondContact O-N 2.93Å; L611-F614 PolarHBondContact O-N 2.89Å; L611-V615 PolarHBondContact O-N 3.31Å; L611-W640 HydrophobicContact CD1-CH2 4.49Å; L611-W640 HydrophobicContact CD2-CH2 3.77Å; L611-W640 HydrophobicContact CD2-CZ2 4.46Å; L611-W640 HydrophobicContact CD2-CZ3 4.12Å; L611-W640 HydrophobicContact CG-CH2 3.96Å; L611-W640 HydrophobicContact CG-CZ3 4.01Å; L611-T709 HydrophobicContact CD2-CG2 3.77Å
612N87.3Confident76Confident0 Ų051.8 Ų51.80%026%0.255CS..Hα-helixtrans-66.8-25.8175.4-90.2-66.1000114F23 S383 K387 V608 P609 L610F23-N612 HydrophobicContact CD2-CB 4.01Å; F23-N612 HydrophobicContact CE2-CB 3.74Å; F23-N612 HydrophobicContact CZ-CB 4.43Å; S383-N612 PolarHBondContact O-OD1 3.15Å; S383-N612 PolarHBondContact OG-ND2 3.37Å; K387-N612 PolarHBondContact NZ-O 3.4Å; V608-N612 WeakPolarHBondContact O-CB 3.37Å; V608-N612 PolarHBondContact O-N 2.73Å; V608-N612 PolarHBondContact O-ND2 3.28Å; P609-N612 PolarHBondContact O-N 3.42Å; L610-N612 VanDerWaalsContact C-N 3.31Å; L610-N612 PolarHBondContact O-N 2.97Å
613L84.1Confident73.7Confident56 Ų5656.2 Ų56.229%0.29328%0.275SS..Hα-helixtrans-83.1-31.4169.8-68.6173000113.1F23 P609 L610 L611 Q616 T636F23-L613 HydrophobicContact CE2-CD2 3.59Å; F23-L613 HydrophobicContact CE2-CG 3.61Å; F23-L613 HydrophobicContact CZ-CD1 4.17Å; F23-L613 HydrophobicContact CZ-CD2 3.96Å; F23-L613 HydrophobicContact CZ-CG 3.66Å; P609-L613 PolarHBondContact O-N 2.92Å; L610-L613 PolarHBondContact O-N 2.92Å; L610-L613 VanDerWaalsContact O-N 3.12Å; L611-L613 VanDerWaalsContact C-N 3.3Å; L611-L613 PolarHBondContact O-N 2.93Å; L613-Q616 VanDerWaalsContact O-CG 3.32Å; L613-Q616 WeakPolarHBondContact O-CG 3.46Å; L613-Q616 PolarHBondContact O-NE2 3.38Å; L613-T636 HydrophobicContact CB-CG2 3.31Å; L613-T636 HydrophobicContact CD1-CG2 3.81Å; L613-T636 HydrophobicContact CG-CG2 4.19Å
614F76.5Confident71.3Confident48 Ų4861.1 Ų61.121%0.21130%0.296CS..Hα-helixtrans-65.2-53.1-172.9172.9-114.8000112.7L610 L611 Q616 A712 I713L610-F614 WeakPolarHBondContact O-CB 3.45Å; L610-F614 PolarHBondContact O-N 3.14Å; L611-F614 PolarHBondContact O-N 2.89Å; F614-Q616 PolarHBondContact O-N 3.32Å; F614-A712 HydrophobicContact CE1-CB 3.77Å; F614-A712 HydrophobicContact CZ-CB 3.63Å; F614-A712 WeakPolarHBondContact CZ-O 3.22Å; F614-I713 HydrophobicContact CD2-CD1 4.17Å; F614-I713 HydrophobicContact CD2-CG1 4.09Å; F614-I713 HydrophobicContact CE2-CB 4.22Å; F614-I713 HydrophobicContact CE2-CD1 4.21Å; F614-I713 HydrophobicContact CE2-CG1 3.63Å; F614-I713 HydrophobicContact CZ-CG1 4.1Å
615V70.5Confident69.3Low14 Ų1471.1 Ų71.19%0.08534%0.339CS..  trans-82.5100.1-178.5-174.60000110.2K387 G578 L582 L611K387-V615 HydrophobicContact CD-CB 4.46Å; K387-V615 HydrophobicContact CD-CG1 4.49Å; K387-V615 PolarHBondContact NZ-O 3.19Å; G578-V615 WeakPolarHBondContact O-CG2 3.4Å; L582-V615 HydrophobicContact CD1-CB 3.8Å; L582-V615 HydrophobicContact CD1-CG1 4.11Å; L582-V615 HydrophobicContact CD1-CG2 3.71Å; L582-V615 HydrophobicContact CD2-CG2 4.28Å; L582-V615 HydrophobicContact CG-CB 4.38Å; L582-V615 HydrophobicContact CG-CG2 3.75Å; L611-V615 PolarHBondContact O-N 3.31Å
616Q67.4Low67.8Low59 Ų5969.5 Ų69.528%0.27633%0.334SS..  trans-119.9118174-63.117811.600108.8T19 L613 F614T19-Q616 HydrophobicContact CG2-CG 4.15Å; L613-Q616 VanDerWaalsContact O-CG 3.32Å; L613-Q616 WeakPolarHBondContact O-CG 3.46Å; L613-Q616 PolarHBondContact O-NE2 3.38Å; F614-Q616 PolarHBondContact O-N 3.32Å
617R58.1Low66.7Low94 Ų9474.9 Ų74.936%0.35535%0.353SS..  trans-60.3140.1-178.1-178.8172.9158.7132.68.3110.9E15 D619E15-R617 VanDerWaalsContact CD-CD 3.45Å; E15-R617 WeakPolarHBondContact OE1-CD 3.15Å; E15-R617 IonicContact OE1-CZ 2.73Å; E15-R617 IonicContact OE1-NE 3.55Å; E15-R617 IonicContact OE1-NH1 3.76Å; E15-R617 PolarHBondContact OE1-NH1 2.88Å; E15-R617 IonicContact OE2-CZ 2.95Å; E15-R617 IonicContact OE2-NE 2.89Å; E15-R617 IonicContact OE2-NH1 3.27Å; E15-R617 PolarHBondContact OE2-NH1 2.88Å; E15-R617 VanDerWaalsContact OE2-NH1 3.12Å; R617-D619 VanDerWaalsContact C-N 3.25Å; R617-D619 IonicContact CZ-OD2 3.14Å; R617-D619 VanDerWaalsContact CZ-OD2 3.27Å; R617-D619 IonicContact NE-OD2 3.65Å; R617-D619 PolarHBondContact NE-OD2 3.37Å; R617-D619 IonicContact NH2-OD2 3.24Å; R617-D619 PolarHBondContact NH2-OD2 2.97Å; R617-D619 PolarHBondContact O-N 2.95Å; R617-D619 VanDerWaalsContact O-N 3.11Å
618K53Low65.7Low87 Ų8778.5 Ų78.538%0.37838%0.376SS..G310 helixtrans-61.1-21.8-167.4-78.9179.2177.1173.50116.4D575 H620 M621D575-K618 WeakPolarHBondContact OD2-CD 3.29Å; D575-K618 IonicContact OD2-NZ 2.73Å; K618-H620 PolarHBondContact O-N 3.22Å; K618-M621 WeakPolarHBondContact O-CB 3.42Å; K618-M621 WeakPolarHBondContact O-CG 3.23Å; K618-M621 PolarHBondContact O-N 3.24Å
619D47.7Very low64.4Low93 Ų9381.1 Ų81.150%0.49739%0.389SS..G310 helixtrans-62.1-15.8-171.9-53.3-20.4000113.9R617R617-D619 VanDerWaalsContact C-N 3.25Å; R617-D619 IonicContact CZ-OD2 3.14Å; R617-D619 VanDerWaalsContact CZ-OD2 3.27Å; R617-D619 IonicContact NE-OD2 3.65Å; R617-D619 PolarHBondContact NE-OD2 3.37Å; R617-D619 IonicContact NH2-OD2 3.24Å; R617-D619 PolarHBondContact NH2-OD2 2.97Å; R617-D619 PolarHBondContact O-N 2.95Å; R617-D619 VanDerWaalsContact O-N 3.11Å
620H45.8Very low63.6Low100 Ų10087.6 Ų87.646%0.46342%0.415SS..G310 helixtrans-85.7-10.6170.4-87-40.7000115.7K618 K624K618-H620 PolarHBondContact O-N 3.22Å; H620-K624 PolarHBondContact O-N 2.94Å
621M42.3Very low63Low116 Ų11689.9 Ų89.957%0.57143%0.426SS*.THydrogen-bonded Turntrans-67.8-37.2-176.3-72.9-84.9-71.900113.1K618K618-M621 WeakPolarHBondContact O-CB 3.42Å; K618-M621 WeakPolarHBondContact O-CG 3.23Å; K618-M621 PolarHBondContact O-N 3.24Å
622E44.2Very low62.4Low178 Ų17892.1 Ų92.183%0.83244%0.44SS*.THydrogen-bonded Turntrans-73.7-41.6-177.2-58.6-157.8136.300112.1
623I44.4Very low61.9Low140 Ų14096.9 Ų96.972%0.71846%0.461SS*.THydrogen-bonded Turntrans-80.2-21-173.2-61177.7000112.2
624K41.2Very low61.8Low126 Ų12697.6 Ų97.655%0.54847%0.47SS..  trans-134.878.9178.5-71.8-174.4179.8173.40114.2H620 S626 M629H620-K624 PolarHBondContact O-N 2.94Å; K624-S626 PolarHBondContact O-N 3.32Å; K624-M629 HydrophobicContact CB-CG 4.41Å
625K51.5Low62.1Low210 Ų210101.8 Ų101.891%0.91349%0.488SS*.  trans-65.737.6152.6-76.1-179.1175.3170.70112.9
626S61Low62.7Low41 Ų41101.7 Ų101.729%0.28749%0.487SS..  trans-76.5143-177.7178.50000111.8K624 T628 M629K624-S626 PolarHBondContact O-N 3.32Å; S626-T628 WeakPolarHBondContact CB-OG1 3.35Å; S626-T628 PolarHBondContact O-N 2.89Å; S626-T628 PolarHBondContact OG-N 3.37Å; S626-T628 PolarHBondContact OG-OG1 3.11Å; S626-M629 PolarHBondContact O-N 3.21Å; S626-M629 VanDerWaalsContact O-N 3.09Å
627F67.4Low63.5Low155 Ų155101.4 Ų101.468%0.6849%0.487SS*.Hα-helixtrans-49.5-37.8167.6178.3-103.5000112.1M629 K630 L631F627-M629 VanDerWaalsContact C-N 3.32Å; F627-M629 PolarHBondContact O-N 3.07Å; F627-K630 PolarHBondContact O-N 3.29Å; F627-L631 HydrophobicContact CE1-CD1 4.04Å; F627-L631 HydrophobicContact CZ-CD1 4.05Å; F627-L631 PolarHBondContact O-N 2.87Å
628T70.7Confident64.9Low76 Ų76101.3 Ų101.347%0.46649%0.493SS..Hα-helixtrans-60.6-35.4179.559.40000113.6S626 L631 V632S626-T628 WeakPolarHBondContact CB-OG1 3.35Å; S626-T628 PolarHBondContact O-N 2.89Å; S626-T628 PolarHBondContact OG-N 3.37Å; S626-T628 PolarHBondContact OG-OG1 3.11Å; T628-L631 WeakPolarHBondContact O-CB 3.43Å; T628-L631 PolarHBondContact O-N 3.41Å; T628-V632 WeakPolarHBondContact O-CG2 3.41Å; T628-V632 PolarHBondContact O-N 2.97Å
629M67.8Low66.4Low55 Ų5597.8 Ų97.827%0.27148%0.481SS..Hα-helixtrans-72.9-35.3180-63.3-59-69.500111.7K624 S626 F627 K633K624-M629 HydrophobicContact CB-CG 4.41Å; S626-M629 PolarHBondContact O-N 3.21Å; S626-M629 VanDerWaalsContact O-N 3.09Å; F627-M629 VanDerWaalsContact C-N 3.32Å; F627-M629 PolarHBondContact O-N 3.07Å; M629-K633 WeakPolarHBondContact O-CG 3.27Å; M629-K633 PolarHBondContact O-N 3.03Å; M629-K633 VanDerWaalsContact O-N 3.12Å
630K73.4Confident68.4Low160 Ų16093.8 Ų93.870%0.69646%0.459SS*.Hα-helixtrans-65.2-43.8169.9-69-173.4175-174.60110.8F627 K633 C634F627-K630 PolarHBondContact O-N 3.29Å; K630-K633 PolarHBondContact O-N 3.41Å; K630-C634 PolarHBondContact O-N 2.97Å; K630-C634 PolarHBondContact O-SG 3.35Å; K630-C634 VanDerWaalsContact O-SG 3.38Å
631L79Confident70.4Confident77 Ų7792 Ų9240%0.40345%0.453SS..Hα-helixtrans-59.2-48.3178.7-156.281.7000111.7F627 T628 K633 C634 F635F627-L631 HydrophobicContact CE1-CD1 4.04Å; F627-L631 HydrophobicContact CZ-CD1 4.05Å; F627-L631 PolarHBondContact O-N 2.87Å; T628-L631 WeakPolarHBondContact O-CB 3.43Å; T628-L631 PolarHBondContact O-N 3.41Å; L631-K633 PolarHBondContact O-N 3.45Å; L631-C634 PolarHBondContact O-N 3.38Å; L631-F635 HydrophobicContact CD1-CE2 4.49Å; L631-F635 HydrophobicContact CD2-CD2 4.48Å; L631-F635 HydrophobicContact CD2-CE2 3.96Å; L631-F635 HydrophobicContact CG-CD2 4.06Å; L631-F635 HydrophobicContact CG-CE2 3.8Å; L631-F635 VanDerWaalsContact O-CD2 3.27Å; L631-F635 WeakPolarHBondContact O-CD2 3.4Å; L631-F635 PolarHBondContact O-N 3.38Å
632V77.7Confident72.5Confident50 Ų5091.1 Ų91.130%0.30345%0.45SS..Hα-helixtrans-60.3-44.7176170.20000111.1T628 C634 F635 T636T628-V632 WeakPolarHBondContact O-CG2 3.41Å; T628-V632 PolarHBondContact O-N 2.97Å; V632-C634 PolarHBondContact O-N 3.2Å; V632-F635 PolarHBondContact O-N 2.87Å; V632-T636 PolarHBondContact O-N 3.43Å; V632-T636 PolarHBondContact O-OG1 3.42Å
633K76.8Confident74.6Confident100 Ų10082.9 Ų82.944%0.43541%0.411SS..Hα-helixtrans-61-43.7176.6-76.3-171174.5-171.60112.3M629 K630 L631 F635 T636 I637M629-K633 WeakPolarHBondContact O-CG 3.27Å; M629-K633 PolarHBondContact O-N 3.03Å; M629-K633 VanDerWaalsContact O-N 3.12Å; K630-K633 PolarHBondContact O-N 3.41Å; L631-K633 PolarHBondContact O-N 3.45Å; K633-F635 PolarHBondContact O-N 2.86Å; K633-T636 WeakPolarHBondContact CA-OG1 3.4Å; K633-T636 PolarHBondContact O-N 3.22Å; K633-T636 PolarHBondContact O-OG1 3.28Å; K633-I637 WeakPolarHBondContact O-CD1 3.43Å; K633-I637 VanDerWaalsContact O-CG1 3.29Å; K633-I637 WeakPolarHBondContact O-CG1 3.03Å; K633-I637 PolarHBondContact O-N 3.47Å
634C81.6Confident76.6Confident71 Ų7176.8 Ų76.848%0.4838%0.38SS..Hα-helixtrans-59.6-45.5173.5-67.80000112.1K630 L631 V632 T636 I637 I638K630-C634 PolarHBondContact O-N 2.97Å; K630-C634 PolarHBondContact O-SG 3.35Å; K630-C634 VanDerWaalsContact O-SG 3.38Å; L631-C634 PolarHBondContact O-N 3.38Å; V632-C634 PolarHBondContact O-N 3.2Å; C634-T636 PolarHBondContact O-N 3.33Å; C634-I637 PolarHBondContact O-N 3.09Å; C634-I638 VanDerWaalsContact O-CG1 3.3Å; C634-I638 WeakPolarHBondContact O-CG1 3.26Å; C634-I638 PolarHBondContact O-N 3.32Å
635F83.6Confident78.7Confident136 Ų13671.1 Ų71.160%0.59636%0.355SS*.Hα-helixtrans-62.8-37.5176.1-81.9-61.8000113L631 V632 K633 G639L631-F635 HydrophobicContact CD1-CE2 4.49Å; L631-F635 HydrophobicContact CD2-CD2 4.48Å; L631-F635 HydrophobicContact CD2-CE2 3.96Å; L631-F635 HydrophobicContact CG-CD2 4.06Å; L631-F635 HydrophobicContact CG-CE2 3.8Å; L631-F635 VanDerWaalsContact O-CD2 3.27Å; L631-F635 WeakPolarHBondContact O-CD2 3.4Å; L631-F635 PolarHBondContact O-N 3.38Å; V632-F635 PolarHBondContact O-N 2.87Å; K633-F635 PolarHBondContact O-N 2.86Å; F635-G639 PolarHBondContact O-N 3.36Å
636T82.2Confident80.2Confident11 Ų1161.5 Ų61.57%0.06731%0.314CS..Hα-helixtrans-66.5-37.8173.850.60000112.9L613 V632 K633 C634 G639 W640L613-T636 HydrophobicContact CB-CG2 3.31Å; L613-T636 HydrophobicContact CD1-CG2 3.81Å; L613-T636 HydrophobicContact CG-CG2 4.19Å; V632-T636 PolarHBondContact O-N 3.43Å; V632-T636 PolarHBondContact O-OG1 3.42Å; K633-T636 WeakPolarHBondContact CA-OG1 3.4Å; K633-T636 PolarHBondContact O-N 3.22Å; K633-T636 PolarHBondContact O-OG1 3.28Å; C634-T636 PolarHBondContact O-N 3.33Å; T636-G639 PolarHBondContact O-N 3.45Å; T636-W640 WeakPolarHBondContact O-CB 3.33Å; T636-W640 PolarHBondContact O-N 2.99Å
637I85.1Confident81.3Confident53 Ų5362.1 Ų62.127%0.27232%0.317SS..Hα-helixtrans-67.8-45.3178.1-68.2160.7000110.4K633 C634 W640 L641 I713K633-I637 WeakPolarHBondContact O-CD1 3.43Å; K633-I637 VanDerWaalsContact O-CG1 3.29Å; K633-I637 WeakPolarHBondContact O-CG1 3.03Å; K633-I637 PolarHBondContact O-N 3.47Å; C634-I637 PolarHBondContact O-N 3.09Å; I637-W640 PolarHBondContact O-N 2.92Å; I637-L641 HydrophobicContact CG2-CD1 4.23Å; I637-L641 WeakPolarHBondContact O-CG 3.41Å; I637-L641 PolarHBondContact O-N 3.31Å; I637-I713 HydrophobicContact CD1-CG2 4.21Å; I637-I713 HydrophobicContact CG1-CG2 3.78Å
638I86.3Confident82.1Confident93 Ų9356.5 Ų56.548%0.47729%0.294SS..Hα-helixtrans-63.1-43.6175.9-66.3164.4000110.3C634 W640 L641 I642C634-I638 VanDerWaalsContact O-CG1 3.3Å; C634-I638 WeakPolarHBondContact O-CG1 3.26Å; C634-I638 PolarHBondContact O-N 3.32Å; I638-W640 VanDerWaalsContact C-N 3.34Å; I638-W640 PolarHBondContact O-N 3.26Å; I638-L641 PolarHBondContact O-N 2.86Å; I638-I642 HydrophobicContact CG2-CD1 4.18Å; I638-I642 WeakPolarHBondContact O-CG1 3.45Å; I638-I642 PolarHBondContact O-N 3.39Å
639G85.3Confident82.7Confident13 Ų1354.1 Ų54.113%0.13428%0.278CS..Hα-helixtrans-59.2-42.7173.900000112.7L610 F635 T636 L641 I642 T643L610-G639 WeakPolarHBondContact CD1-O 3.37Å; F635-G639 PolarHBondContact O-N 3.36Å; T636-G639 PolarHBondContact O-N 3.45Å; G639-L641 VanDerWaalsContact C-N 3.35Å; G639-L641 PolarHBondContact O-N 3.05Å; G639-I642 WeakPolarHBondContact O-CB 3.32Å; G639-I642 PolarHBondContact O-N 3Å; G639-I642 VanDerWaalsContact O-N 3.12Å; G639-T643 PolarHBondContact O-N 2.99Å
640W89.8Confident83.4Confident8 Ų854.9 Ų54.93%0.0328%0.282CS..Hα-helixtrans-68.8-32.3178.1-151.9-107.7000112.9W585 T607 L610 L611 T636 I637 I638 I642 T643 F644 W706 T709 I713W585-W640 AromaticContact CZ2-CH2 3.84Å; W585-W640 HydrophobicContact CZ2-CH2 3.84Å; W585-W640 AromaticContact CZ2-CZ2 3.76Å; W585-W640 HydrophobicContact CZ2-CZ2 3.76Å; T607-W640 HydrophobicContact CG2-CH2 4.27Å; T607-W640 HydrophobicContact CG2-CZ3 4.47Å; L610-W640 HydrophobicContact CB-CE3 3.8Å; L610-W640 HydrophobicContact CB-CZ3 3.92Å; L610-W640 HydrophobicContact CD1-CE3 3.97Å; L610-W640 HydrophobicContact CD1-CZ3 4.39Å; L611-W640 HydrophobicContact CD1-CH2 4.49Å; L611-W640 HydrophobicContact CD2-CH2 3.77Å; L611-W640 HydrophobicContact CD2-CZ2 4.46Å; L611-W640 HydrophobicContact CD2-CZ3 4.12Å; L611-W640 HydrophobicContact CG-CH2 3.96Å; L611-W640 HydrophobicContact CG-CZ3 4.01Å; T636-W640 WeakPolarHBondContact O-CB 3.33Å; T636-W640 PolarHBondContact O-N 2.99Å; I637-W640 PolarHBondContact O-N 2.92Å; I638-W640 VanDerWaalsContact C-N 3.34Å; I638-W640 PolarHBondContact O-N 3.26Å; W640-I642 VanDerWaalsContact C-N 3.32Å; W640-T643 WeakPolarHBondContact CA-OG1 3.46Å; W640-T643 PolarHBondContact O-N 3.49Å; W640-T643 PolarHBondContact O-OG1 3.36Å; W640-F644 PolarHBondContact O-N 2.94Å; W640-F644 VanDerWaalsContact O-N 3.16Å; W640-W706 AromaticContact CD1-CE2 3.4Å; W640-W706 AromaticContact CD1-CZ2 3.57Å; W640-W706 AromaticContact CD1-NE1 3.35Å; W640-W706 AromaticContact CE2-CD1 3.52Å; W640-W706 AromaticContact CE2-NE1 3.61Å; W640-W706 HydrophobicContact CG-CZ2 4.46Å; W640-W706 AromaticContact CG-NE1 3.87Å; W640-W706 AromaticContact CZ2-CD1 3.72Å; W640-W706 HydrophobicContact CZ2-CG 4.25Å; W640-W706 AromaticContact NE1-CD1 3.36Å; W640-W706 AromaticContact NE1-CD2 3.7Å; W640-W706 AromaticContact NE1-CE2 3.39Å; W640-W706 AromaticContact NE1-CG 3.65Å; W640-W706 AromaticContact NE1-NE1 3.2Å; W640-W706 VanDerWaalsContact NE1-NE1 3.2Å; W640-W706 PolarHBondContact NE1-O 2.95Å; W640-W706 WeakPolarHBondContact O-CZ2 3.5Å; W640-W706 PolarHBondContact O-NE1 3.11Å; W640-T709 VanDerWaalsContact CE2-OG1 3.29Å; W640-T709 HydrophobicContact CZ2-CG2 4.21Å; W640-T709 WeakPolarHBondContact CZ2-OG1 3.47Å; W640-T709 PolarHBondContact NE1-OG1 3.27Å; W640-I713 HydrophobicContact CB-CD1 4.26Å; W640-I713 HydrophobicContact CG-CD1 4.2Å
641L87.4Confident83.9Confident64 Ų6450.2 Ų50.234%0.33527%0.267SS..Hα-helixtrans-69.9-25.9170.5-73.6167.9000113M552 I637 I638 G639 F644 T647 W710M552-L641 HydrophobicContact SD-CD2 3.95Å; I637-L641 HydrophobicContact CG2-CD1 4.23Å; I637-L641 WeakPolarHBondContact O-CG 3.41Å; I637-L641 PolarHBondContact O-N 3.31Å; I638-L641 PolarHBondContact O-N 2.86Å; G639-L641 VanDerWaalsContact C-N 3.35Å; G639-L641 PolarHBondContact O-N 3.05Å; L641-F644 WeakPolarHBondContact O-CB 3.45Å; L641-T647 PolarHBondContact O-OG1 2.93Å; L641-W710 HydrophobicContact CD1-CH2 4.41Å; L641-W710 HydrophobicContact CD2-CH2 3.68Å; L641-W710 HydrophobicContact CD2-CZ2 4.44Å; L641-W710 HydrophobicContact CD2-CZ3 3.95Å; L641-W710 HydrophobicContact CG-CH2 4.15Å; L641-W710 HydrophobicContact CG-CZ3 4.12Å
642I86.3Confident83.9Confident97 Ų9748.7 Ų48.750%0.49726%0.261SS..Hα-helixtrans-74.6-33170.6-66.9163.4000110.9I638 G639 W640 F644 T647I638-I642 HydrophobicContact CG2-CD1 4.18Å; I638-I642 WeakPolarHBondContact O-CG1 3.45Å; I638-I642 PolarHBondContact O-N 3.39Å; G639-I642 WeakPolarHBondContact O-CB 3.32Å; G639-I642 PolarHBondContact O-N 3Å; G639-I642 VanDerWaalsContact O-N 3.12Å; W640-I642 VanDerWaalsContact C-N 3.32Å; I642-F644 VanDerWaalsContact C-N 3.28Å; I642-F644 PolarHBondContact O-N 2.95Å; I642-T647 PolarHBondContact O-OG1 3.38Å
643T87.5Confident84Confident5 Ų546.4 Ų46.43%0.03125%0.247CC..SBendtrans-81.6-1174.662.80000114.3P606 L610 G639 W640 Y702 W706P606-T643 HydrophobicContact CB-CG2 3.94Å; L610-T643 HydrophobicContact CD1-CG2 3.61Å; G639-T643 PolarHBondContact O-N 2.99Å; W640-T643 WeakPolarHBondContact CA-OG1 3.46Å; W640-T643 PolarHBondContact O-N 3.49Å; W640-T643 PolarHBondContact O-OG1 3.36Å; T643-Y702 WeakPolarHBondContact CB-OH 3.36Å; T643-Y702 WeakPolarHBondContact O-CE1 3.31Å; T643-Y702 PolarHBondContact O-OH 3.23Å; T643-W706 PolarHBondContact OG1-NE1 3.28Å
644F88Confident84.2Confident12 Ų1245 Ų455%0.05324%0.244CC..SBendtrans-62143171.8-177-131.2000110.7I548 I549 M552 W640 L641 I642 P646 T647 L648 W706I548-F644 HydrophobicContact CG2-CE1 4.38Å; I548-F644 HydrophobicContact CG2-CE2 3.9Å; I548-F644 HydrophobicContact CG2-CZ 3.61Å; I548-F644 WeakPolarHBondContact O-CZ 3.21Å; I549-F644 HydrophobicContact CG1-CE1 4.07Å; M552-F644 HydrophobicContact CB-CE2 3.97Å; M552-F644 HydrophobicContact CB-CZ 3.74Å; M552-F644 HydrophobicContact CE-CE1 4.27Å; M552-F644 HydrophobicContact CG-CE2 4.37Å; M552-F644 HydrophobicContact CG-CZ 4.3Å; M552-F644 HydrophobicContact SD-CD1 4.07Å; M552-F644 HydrophobicContact SD-CD2 4.33Å; M552-F644 HydrophobicContact SD-CE1 3.82Å; M552-F644 HydrophobicContact SD-CE2 4.1Å; M552-F644 HydrophobicContact SD-CG 4.32Å; M552-F644 HydrophobicContact SD-CZ 3.82Å; W640-F644 PolarHBondContact O-N 2.94Å; W640-F644 VanDerWaalsContact O-N 3.16Å; L641-F644 WeakPolarHBondContact O-CB 3.45Å; I642-F644 VanDerWaalsContact C-N 3.28Å; I642-F644 PolarHBondContact O-N 2.95Å; F644-P646 HydrophobicContact CD1-CG 4.28Å; F644-P646 HydrophobicContact CE1-CG 3.94Å; F644-P646 HydrophobicContact CZ-CG 4.36Å; F644-T647 WeakPolarHBondContact CB-OG1 3.4Å; F644-T647 PolarHBondContact O-N 3.2Å; F644-T647 PolarHBondContact O-OG1 3.49Å; F644-L648 WeakPolarHBondContact O-CB 3.42Å; F644-L648 PolarHBondContact O-N 3.26Å; F644-W706 HydrophobicContact CB-CH2 4.28Å; F644-W706 HydrophobicContact CB-CZ2 3.63Å; F644-W706 AromaticContact CD2-CD2 3.83Å; F644-W706 HydrophobicContact CD2-CD2 3.83Å; F644-W706 AromaticContact CD2-CE2 3.8Å; F644-W706 AromaticContact CD2-CE3 3.68Å; F644-W706 HydrophobicContact CD2-CE3 3.68Å; F644-W706 AromaticContact CD2-CH2 3.62Å; F644-W706 HydrophobicContact CD2-CH2 3.62Å; F644-W706 AromaticContact CD2-CZ2 3.73Å; F644-W706 HydrophobicContact CD2-CZ2 3.73Å; F644-W706 AromaticContact CD2-CZ3 3.58Å; F644-W706 HydrophobicContact CD2-CZ3 3.58Å; F644-W706 HydrophobicContact CE2-CE3 4.09Å; F644-W706 HydrophobicContact CE2-CH2 4.18Å; F644-W706 AromaticContact CE2-CZ3 3.84Å; F644-W706 HydrophobicContact CE2-CZ3 3.84Å; F644-W706 HydrophobicContact CG-CH2 4.11Å; F644-W706 AromaticContact CG-CZ2 3.95Å; F644-W706 HydrophobicContact CG-CZ2 3.95Å; F644-W706 HydrophobicContact CG-CZ3 4.5Å
645T84.5Confident83.9Confident6 Ų645.1 Ų45.14%0.03724%0.239CC..Hα-helixtrans-60.3-45.1-164.2-63.40000115.2T647 L648 I649 I698 Y702 T703T645-T647 PolarHBondContact O-N 3.37Å; T645-L648 PolarHBondContact O-N 2.82Å; T645-I649 HydrophobicContact CG2-CD1 3.72Å; T645-I649 HydrophobicContact CG2-CG1 4.4Å; T645-I649 VanDerWaalsContact O-CG1 3.23Å; T645-I649 WeakPolarHBondContact O-CG1 3.41Å; T645-I649 PolarHBondContact O-N 3.12Å; T645-I698 HydrophobicContact CG2-CG2 3.47Å; T645-I698 VanDerWaalsContact CG2-CG2 3.47Å; T645-Y702 WeakPolarHBondContact OG1-CD1 3.32Å; T645-T703 HydrophobicContact CG2-CG2 4.16Å; T645-T703 WeakPolarHBondContact OG1-CG2 3.39Å
646P82.7Confident83.5Confident8 Ų840.5 Ų40.55%0.05222%0.22CC..Hα-helixtrans-63.7-39.8177.1-22.534.7000113.1I548 F644 I650I548-P646 HydrophobicContact CB-CG 4.07Å; I548-P646 HydrophobicContact CD1-CG 4.43Å; I548-P646 HydrophobicContact CG2-CG 3.55Å; F644-P646 HydrophobicContact CD1-CG 4.28Å; F644-P646 HydrophobicContact CE1-CG 3.94Å; F644-P646 HydrophobicContact CZ-CG 4.36Å; P646-I650 WeakPolarHBondContact O-CD1 3.48Å; P646-I650 VanDerWaalsContact O-CG1 3.24Å; P646-I650 WeakPolarHBondContact O-CG1 3.37Å; P646-I650 PolarHBondContact O-N 2.68Å
647T84.1Confident83Confident55 Ų5540.4 Ų40.434%0.33722%0.22SC..Hα-helixtrans-71.3-40.1178.742.60000111.5L641 I642 F644 T645 I650 V651L641-T647 PolarHBondContact O-OG1 2.93Å; I642-T647 PolarHBondContact O-OG1 3.38Å; F644-T647 WeakPolarHBondContact CB-OG1 3.4Å; F644-T647 PolarHBondContact O-N 3.2Å; F644-T647 PolarHBondContact O-OG1 3.49Å; T645-T647 PolarHBondContact O-N 3.37Å; T647-I650 PolarHBondContact O-N 3.1Å; T647-V651 WeakPolarHBondContact O-CG2 3.48Å; T647-V651 PolarHBondContact O-N 3.29Å
648L84Confident82.2Confident37 Ų3742 Ų4219%0.19424%0.235CC..Hα-helixtrans-61.4-45.5173.9-174.2151.1000111.5F644 T645 I650 V651 V652 Y702F644-L648 WeakPolarHBondContact O-CB 3.42Å; F644-L648 PolarHBondContact O-N 3.26Å; T645-L648 PolarHBondContact O-N 2.82Å; L648-I650 PolarHBondContact O-N 2.99Å; L648-V651 PolarHBondContact O-N 3.24Å; L648-V652 HydrophobicContact CD2-CG2 4.09Å; L648-V652 WeakPolarHBondContact O-CG2 3.48Å; L648-V652 PolarHBondContact O-N 2.85Å; L648-Y702 WeakPolarHBondContact CD1-OH 3.42Å
649I82.8Confident81.1Confident25 Ų2542.3 Ų42.313%0.12824%0.237CC..Hα-helixtrans-62.7-42.6175.7-63.6164.2000110.3T645 V651 V652 C653 Y676 C679T645-I649 HydrophobicContact CG2-CD1 3.72Å; T645-I649 HydrophobicContact CG2-CG1 4.4Å; T645-I649 VanDerWaalsContact O-CG1 3.23Å; T645-I649 WeakPolarHBondContact O-CG1 3.41Å; T645-I649 PolarHBondContact O-N 3.12Å; I649-V651 PolarHBondContact O-N 3.48Å; I649-V652 PolarHBondContact O-N 3.43Å; I649-C653 PolarHBondContact O-N 3.09Å; I649-C653 PolarHBondContact O-SG 2.93Å; I649-Y676 HydrophobicContact CB-CD2 4.31Å; I649-Y676 HydrophobicContact CB-CE2 3.77Å; I649-Y676 HydrophobicContact CG2-CD2 3.55Å; I649-Y676 HydrophobicContact CG2-CE2 3.42Å; I649-Y676 VanDerWaalsContact CG2-CE2 3.42Å; I649-C679 HydrophobicContact CG2-CB 4.39Å
650I83.1Confident79.6Confident71 Ų7147.5 Ų47.536%0.36426%0.258SS..Hα-helixtrans-60.5-43175.5-71164.7000111.4P646 T647 L648 C653 I654 Y676P646-I650 WeakPolarHBondContact O-CD1 3.48Å; P646-I650 VanDerWaalsContact O-CG1 3.24Å; P646-I650 WeakPolarHBondContact O-CG1 3.37Å; P646-I650 PolarHBondContact O-N 2.68Å; T647-I650 PolarHBondContact O-N 3.1Å; L648-I650 PolarHBondContact O-N 2.99Å; I650-C653 PolarHBondContact O-N 3.19Å; I650-I654 HydrophobicContact CG2-CD1 3.87Å; I650-I654 VanDerWaalsContact O-CG1 3.29Å; I650-I654 WeakPolarHBondContact O-CG1 3.32Å; I650-I654 PolarHBondContact O-N 2.96Å; I650-Y676 HydrophobicContact CD1-CE2 4.41Å; I650-Y676 HydrophobicContact CG1-CD2 3.72Å; I650-Y676 HydrophobicContact CG1-CE2 3.68Å
651V83.4Confident77.5Confident63 Ų6355.5 Ų55.538%0.38230%0.296SS..Hα-helixtrans-62.6-43175.6168.50000111.2T647 L648 I649 I654 I655T647-V651 WeakPolarHBondContact O-CG2 3.48Å; T647-V651 PolarHBondContact O-N 3.29Å; L648-V651 PolarHBondContact O-N 3.24Å; I649-V651 PolarHBondContact O-N 3.48Å; V651-I654 PolarHBondContact O-N 3.24Å; V651-I655 HydrophobicContact CG1-CD1 3.81Å; V651-I655 VanDerWaalsContact O-CG1 3.3Å; V651-I655 WeakPolarHBondContact O-CG1 3.37Å; V651-I655 PolarHBondContact O-N 3.19Å
652V79.7Confident75.2Confident45 Ų4556.9 Ų56.927%0.27330%0.3SS..Hα-helixtrans-60.9-43173.6166.20000111.5W291 L648 I649 I655 N656W291-V652 HydrophobicContact CH2-CB 4.45Å; W291-V652 HydrophobicContact CH2-CG1 3.89Å; W291-V652 HydrophobicContact CH2-CG2 4.17Å; W291-V652 HydrophobicContact CZ2-CG1 4Å; L648-V652 HydrophobicContact CD2-CG2 4.09Å; L648-V652 WeakPolarHBondContact O-CG2 3.48Å; L648-V652 PolarHBondContact O-N 2.85Å; I649-V652 PolarHBondContact O-N 3.43Å; V652-I655 PolarHBondContact O-N 2.75Å; V652-N656 WeakPolarHBondContact O-CB 3.42Å; V652-N656 PolarHBondContact O-N 3.18Å
653C79.9Confident73.3Confident1 Ų160.3 Ų60.31%0.00731%0.314CS..Hα-helixtrans-63.2-41.2174.9-65.40000112.2I649 I650 S657 I672 C675I649-C653 PolarHBondContact O-N 3.09Å; I649-C653 PolarHBondContact O-SG 2.93Å; I650-C653 PolarHBondContact O-N 3.19Å; C653-S657 VanDerWaalsContact O-CB 3.25Å; C653-S657 WeakPolarHBondContact O-CB 3.46Å; C653-S657 PolarHBondContact O-N 3.01Å; C653-S657 PolarHBondContact O-OG 3.33Å; C653-I672 HydrophobicContact CB-CG2 4.39Å; C653-C675 HydrophobicContact CB-CB 3.81Å
654I80.5Confident71.6Confident72 Ų7268 Ų6837%0.36935%0.35SS..Hα-helixtrans-60.9-50.6175-70.3161.9000110.2I650 V651 N656 S657 S658 I672I650-I654 HydrophobicContact CG2-CD1 3.87Å; I650-I654 VanDerWaalsContact O-CG1 3.29Å; I650-I654 WeakPolarHBondContact O-CG1 3.32Å; I650-I654 PolarHBondContact O-N 2.96Å; V651-I654 PolarHBondContact O-N 3.24Å; I654-N656 PolarHBondContact O-N 3.28Å; I654-S657 PolarHBondContact O-N 3.32Å; I654-S657 PolarHBondContact O-OG 3.38Å; I654-S658 PolarHBondContact O-N 3.04Å; I654-S658 PolarHBondContact O-OG 2.97Å; I654-I672 HydrophobicContact CD1-CD1 4.41Å; I654-I672 HydrophobicContact CG1-CD1 3.64Å; I654-I672 HydrophobicContact CG1-CG1 4.01Å
655I76.6Confident69.9Low73 Ų7371.7 Ų71.737%0.37436%0.364SS..Hα-helixtrans-57.8-50.8177.8-69165.3000110.6W291 V651 V652 S657 S658 I659W291-I655 HydrophobicContact CH2-CG2 4.48Å; V651-I655 HydrophobicContact CG1-CD1 3.81Å; V651-I655 VanDerWaalsContact O-CG1 3.3Å; V651-I655 WeakPolarHBondContact O-CG1 3.37Å; V651-I655 PolarHBondContact O-N 3.19Å; V652-I655 PolarHBondContact O-N 2.75Å; I655-S657 PolarHBondContact O-N 3.24Å; I655-S658 WeakPolarHBondContact O-CA 3.5Å; I655-S658 WeakPolarHBondContact O-CB 3.44Å; I655-S658 PolarHBondContact O-N 3.14Å; I655-I659 HydrophobicContact CG2-CD1 3.72Å; I655-I659 HydrophobicContact CG2-CG1 4.49Å; I655-I659 WeakPolarHBondContact O-CG1 3.49Å; I655-I659 PolarHBondContact O-N 3.01Å
656N73.9Confident68.2Low38 Ų3876.8 Ų76.820%0.20340%0.397CS..Hα-helixtrans-62.2-40.9179.7-172.154.8000112.2V652 I654 S658 I659 Q660V652-N656 WeakPolarHBondContact O-CB 3.42Å; V652-N656 PolarHBondContact O-N 3.18Å; I654-N656 PolarHBondContact O-N 3.28Å; N656-S658 PolarHBondContact O-N 3.05Å; N656-I659 PolarHBondContact O-N 3.29Å; N656-Q660 WeakPolarHBondContact O-CB 3.45Å; N656-Q660 PolarHBondContact O-N 3.39Å
657S71.7Confident67.4Low9 Ų979.5 Ų79.56%0.06341%0.413CS..Hα-helixtrans-69.6-10.8175.576.10000114.6C653 I654 I655 Q662C653-S657 VanDerWaalsContact O-CB 3.25Å; C653-S657 WeakPolarHBondContact O-CB 3.46Å; C653-S657 PolarHBondContact O-N 3.01Å; C653-S657 PolarHBondContact O-OG 3.33Å; I654-S657 PolarHBondContact O-N 3.32Å; I654-S657 PolarHBondContact O-OG 3.38Å; I655-S657 PolarHBondContact O-N 3.24Å; S657-Q662 PolarHBondContact O-NE2 3.4Å
658S68.7Low66.8Low86 Ų8681.8 Ų81.860%0.60142%0.423SS*.Hα-helixtrans-93.2-34.1172.6-51.80000111.8I654 I655 N656I654-S658 PolarHBondContact O-N 3.04Å; I654-S658 PolarHBondContact O-OG 2.97Å; I655-S658 WeakPolarHBondContact O-CA 3.5Å; I655-S658 WeakPolarHBondContact O-CB 3.44Å; I655-S658 PolarHBondContact O-N 3.14Å; N656-S658 PolarHBondContact O-N 3.05Å
659I62.6Low66.2Low100 Ų10085.1 Ų85.151%0.51344%0.444SS..Hα-helixtrans-75.1-45.5175.8-65.7168000110.6I655 N656 Q661I655-I659 HydrophobicContact CG2-CD1 3.72Å; I655-I659 HydrophobicContact CG2-CG1 4.49Å; I655-I659 WeakPolarHBondContact O-CG1 3.49Å; I655-I659 PolarHBondContact O-N 3.01Å; N656-I659 PolarHBondContact O-N 3.29Å; I659-Q661 PolarHBondContact O-N 3.37Å
660Q54.9Low65.7Low122 Ų12287.4 Ų87.457%0.5746%0.457SS*.SBendtrans-75.987.1172.3-63.9-171.3-1.300109.6N656 Q662N656-Q660 WeakPolarHBondContact O-CB 3.45Å; N656-Q660 PolarHBondContact O-N 3.39Å; Q660-Q662 PolarHBondContact O-N 3.47Å; Q660-Q662 VanDerWaalsContact O-N 3.14Å
661Q45.3Very low65.1Low177 Ų17784.1 Ų84.183%0.82744%0.44SS*.  trans-48.3120.1179-71.6-173.4-19.800111.5I659 Q663I659-Q661 PolarHBondContact O-N 3.37Å; Q661-Q663 PolarHBondContact O-N 3.01Å; Q661-Q663 VanDerWaalsContact O-N 3.09Å
662Q40.1Very low64.7Low92 Ų9282.8 Ų82.843%0.4343%0.43SS..  trans-69.1106.5-165.2-64.3175.52.300112S657 Q660S657-Q662 PolarHBondContact O-NE2 3.4Å; Q660-Q662 PolarHBondContact O-N 3.47Å; Q660-Q662 VanDerWaalsContact O-N 3.14Å
663Q45.5Very low64.5Low170 Ų17086.2 Ų86.279%0.79444%0.439SS*.SBendtrans-100.6-15.7170.9-69.4-162.5-29.300114.4Q661Q661-Q663 PolarHBondContact O-N 3.01Å; Q661-Q663 VanDerWaalsContact O-N 3.09Å
664H52.4Low64.2Low166 Ų16687.2 Ų87.277%0.76945%0.446SS*.SBendtrans-138.18.7-167-70.3-41000117.4
665Y50.8Low64.2Low89 Ų8984.4 Ų84.435%0.34943%0.432SS..  trans-117127.2178.5-68.5-75000111.8T667 A671 S674Y665-T667 VanDerWaalsContact C-N 3.34Å; Y665-T667 PolarHBondContact O-N 3.22Å; Y665-A671 HydrophobicContact CD1-CB 4.41Å; Y665-A671 HydrophobicContact CD2-CB 4.02Å; Y665-A671 HydrophobicContact CG-CB 3.84Å; Y665-S674 PolarHBondContact OH-OG 3.43Å
666P50.2Low64.4Low113 Ų11381.7 Ų81.773%0.73442%0.417SS*.SBendtrans-77.8-16.9-174.230.9-36.4000113.9
667T65.8Low64.8Low65 Ų6582.2 Ų82.240%0.39942%0.419SS..SBendtrans-145.3148.3174.164.90000110.6Y665 V669 N670 A671Y665-T667 VanDerWaalsContact C-N 3.34Å; Y665-T667 PolarHBondContact O-N 3.22Å; T667-V669 PolarHBondContact O-N 3.4Å; T667-N670 PolarHBondContact O-N 3.17Å; T667-N670 WeakPolarHBondContact OG1-CB 3.44Å; T667-N670 VanDerWaalsContact OG1-CG 3.24Å; T667-N670 PolarHBondContact OG1-N 2.88Å; T667-N670 PolarHBondContact OG1-ND2 3.35Å; T667-A671 PolarHBondContact O-N 2.92Å; T667-A671 VanDerWaalsContact O-N 3.11Å
668I71.9Confident65.1Low104 Ų10487.1 Ų87.153%0.53344%0.439SS..Hα-helixtrans-58.2-38.1175.8-63.5168.7000111N670 A671 I672I668-N670 VanDerWaalsContact C-N 3.35Å; I668-N670 PolarHBondContact O-N 3.31Å; I668-A671 WeakPolarHBondContact O-CB 3.29Å; I668-A671 PolarHBondContact O-N 3.46Å; I668-I672 HydrophobicContact CG2-CD1 3.69Å; I668-I672 HydrophobicContact CG2-CG1 4.26Å; I668-I672 WeakPolarHBondContact O-CG1 3.3Å; I668-I672 PolarHBondContact O-N 3.17Å
669V69.9Low65.8Low106 Ų10685.5 Ų85.564%0.64243%0.427SS*.Hα-helixtrans-61-42.5178.3-178.90000111.6T667 I672 R673T667-V669 PolarHBondContact O-N 3.4Å; V669-I672 PolarHBondContact O-N 3.4Å; V669-R673 WeakPolarHBondContact O-CB 3.48Å; V669-R673 PolarHBondContact O-N 2.95Å
670N72Confident66.9Low73 Ų7381 Ų8139%0.3940%0.404SS..Hα-helixtrans-70.3-34.9177.5-71-7.9000111.9T667 I668 S674T667-N670 PolarHBondContact O-N 3.17Å; T667-N670 WeakPolarHBondContact OG1-CB 3.44Å; T667-N670 VanDerWaalsContact OG1-CG 3.24Å; T667-N670 PolarHBondContact OG1-N 2.88Å; T667-N670 PolarHBondContact OG1-ND2 3.35Å; I668-N670 VanDerWaalsContact C-N 3.35Å; I668-N670 PolarHBondContact O-N 3.31Å; N670-S674 WeakPolarHBondContact O-CB 3.22Å; N670-S674 PolarHBondContact O-N 3.41Å
671A72.1Confident68.4Low2 Ų276.4 Ų76.42%0.01738%0.383CS..Hα-helixtrans-62.9-47.9172.400000111.5Y665 T667 I668 S674 C675Y665-A671 HydrophobicContact CD1-CB 4.41Å; Y665-A671 HydrophobicContact CD2-CB 4.02Å; Y665-A671 HydrophobicContact CG-CB 3.84Å; T667-A671 PolarHBondContact O-N 2.92Å; T667-A671 VanDerWaalsContact O-N 3.11Å; I668-A671 WeakPolarHBondContact O-CB 3.29Å; I668-A671 PolarHBondContact O-N 3.46Å; A671-S674 PolarHBondContact O-N 2.96Å; A671-C675 WeakPolarHBondContact O-CB 3.41Å; A671-C675 PolarHBondContact O-N 3.18Å; A671-C675 PolarHBondContact O-SG 3.05Å
672I74.9Confident70.3Confident35 Ų3571.8 Ų71.818%0.17936%0.361CS..Hα-helixtrans-62.2-46.4177.6-65.5164000110.8C653 I654 I668 V669 S674 C675 Y676C653-I672 HydrophobicContact CB-CG2 4.39Å; I654-I672 HydrophobicContact CD1-CD1 4.41Å; I654-I672 HydrophobicContact CG1-CD1 3.64Å; I654-I672 HydrophobicContact CG1-CG1 4.01Å; I668-I672 HydrophobicContact CG2-CD1 3.69Å; I668-I672 HydrophobicContact CG2-CG1 4.26Å; I668-I672 WeakPolarHBondContact O-CG1 3.3Å; I668-I672 PolarHBondContact O-N 3.17Å; V669-I672 PolarHBondContact O-N 3.4Å; I672-S674 PolarHBondContact O-N 3.47Å; I672-C675 PolarHBondContact O-N 3.09Å; I672-Y676 WeakPolarHBondContact O-CB 3.44Å; I672-Y676 PolarHBondContact O-N 2.82Å
673R74.1Confident72.6Confident118 Ų11868.1 Ų68.145%0.44535%0.346SS..Hα-helixtrans-57.6-48.7176.7178.6174.7171.4-174.6-4.8111.5D538 V669 C675 Y676 E677D538-R673 IonicContact OD1-CZ 3.06Å; D538-R673 IonicContact OD1-NE 2.68Å; D538-R673 PolarHBondContact OD1-NE 2.99Å; D538-R673 IonicContact OD1-NH2 3.15Å; D538-R673 PolarHBondContact OD1-NH2 3.41Å; D538-R673 IonicContact OD2-NH2 3.66Å; D538-R673 PolarHBondContact OD2-NH2 3.47Å; V669-R673 WeakPolarHBondContact O-CB 3.48Å; V669-R673 PolarHBondContact O-N 2.95Å; R673-C675 VanDerWaalsContact C-N 3.34Å; R673-C675 PolarHBondContact O-N 3.32Å; R673-Y676 PolarHBondContact O-N 3.14Å; R673-E677 VanDerWaalsContact O-CB 3.25Å; R673-E677 WeakPolarHBondContact O-CB 3.3Å; R673-E677 PolarHBondContact O-N 3.24Å
674S75.2Confident74.6Confident22 Ų2260.4 Ų60.415%0.15431%0.31CS..Hα-helixtrans-65.6-34.9178.6-170.90000112.4Y665 N670 A671 I672 K678Y665-S674 PolarHBondContact OH-OG 3.43Å; N670-S674 WeakPolarHBondContact O-CB 3.22Å; N670-S674 PolarHBondContact O-N 3.41Å; A671-S674 PolarHBondContact O-N 2.96Å; I672-S674 PolarHBondContact O-N 3.47Å; S674-K678 VanDerWaalsContact O-CB 3.31Å; S674-K678 WeakPolarHBondContact O-CB 3.39Å; S674-K678 WeakPolarHBondContact O-CG 3.5Å; S674-K678 PolarHBondContact O-N 2.73Å
675C78.5Confident76.3Confident13 Ų1354.3 Ų54.39%0.08828%0.283CS..Hα-helixtrans-67.4-42.6172.9-68.80000111.9C653 A671 I672 R673 K678 C679C653-C675 HydrophobicContact CB-CB 3.81Å; A671-C675 WeakPolarHBondContact O-CB 3.41Å; A671-C675 PolarHBondContact O-N 3.18Å; A671-C675 PolarHBondContact O-SG 3.05Å; I672-C675 PolarHBondContact O-N 3.09Å; R673-C675 VanDerWaalsContact C-N 3.34Å; R673-C675 PolarHBondContact O-N 3.32Å; C675-K678 PolarHBondContact O-N 3.37Å; C675-C679 WeakPolarHBondContact O-CB 3.33Å; C675-C679 PolarHBondContact O-N 2.7Å; C675-C679 PolarHBondContact O-SG 2.97Å
676Y82.3Confident78.1Confident16 Ų1650.5 Ų50.56%0.06327%0.268CS..Hα-helixtrans-68.8-43.4-178.7-167.8-89.1000111.9L541 T545 I649 I650 I672 R673 C679 I680L541-Y676 HydrophobicContact CD1-CD1 3.76Å; L541-Y676 HydrophobicContact CD1-CE1 3.76Å; L541-Y676 HydrophobicContact CD2-CD1 4.01Å; L541-Y676 HydrophobicContact CG-CD1 3.96Å; L541-Y676 HydrophobicContact CG-CE1 4.03Å; T545-Y676 HydrophobicContact CG2-CE1 3.8Å; T545-Y676 WeakPolarHBondContact CG2-OH 3.46Å; I649-Y676 HydrophobicContact CB-CD2 4.31Å; I649-Y676 HydrophobicContact CB-CE2 3.77Å; I649-Y676 HydrophobicContact CG2-CD2 3.55Å; I649-Y676 HydrophobicContact CG2-CE2 3.42Å; I649-Y676 VanDerWaalsContact CG2-CE2 3.42Å; I650-Y676 HydrophobicContact CD1-CE2 4.41Å; I650-Y676 HydrophobicContact CG1-CD2 3.72Å; I650-Y676 HydrophobicContact CG1-CE2 3.68Å; I672-Y676 WeakPolarHBondContact O-CB 3.44Å; I672-Y676 PolarHBondContact O-N 2.82Å; R673-Y676 PolarHBondContact O-N 3.14Å; Y676-C679 PolarHBondContact O-N 2.81Å; Y676-I680 HydrophobicContact CD1-CD1 4.26Å; Y676-I680 HydrophobicContact CE1-CD1 3.49Å; Y676-I680 VanDerWaalsContact CE1-CD1 3.49Å; Y676-I680 HydrophobicContact CE1-CG1 4.44Å; Y676-I680 PolarHBondContact O-N 3.03Å; Y676-I680 VanDerWaalsContact O-N 3.16Å
677E81Confident80Confident49 Ų4946.2 Ų46.223%0.22924%0.242CC..Hα-helixtrans-53.6-54.8169178.7-178.2-17500110.7V537 L541 R673 I680 L681V537-E677 HydrophobicContact CG1-CG 3.8Å; L541-E677 HydrophobicContact CD2-CB 4.31Å; R673-E677 VanDerWaalsContact O-CB 3.25Å; R673-E677 WeakPolarHBondContact O-CB 3.3Å; R673-E677 PolarHBondContact O-N 3.24Å; E677-I680 PolarHBondContact O-N 3.07Å; E677-L681 HydrophobicContact CG-CD1 4.16Å; E677-L681 WeakPolarHBondContact O-CB 3.46Å; E677-L681 WeakPolarHBondContact O-CG 3.5Å; E677-L681 PolarHBondContact O-N 3.03Å
678K79.7Confident81Confident111 Ų11145.4 Ų45.448%0.48324%0.235SC..Hα-helixtrans-58.2-50.6177.1-76.7175.2178.9-1750112.2S674 C675 I680 L681 Q682S674-K678 VanDerWaalsContact O-CB 3.31Å; S674-K678 WeakPolarHBondContact O-CB 3.39Å; S674-K678 WeakPolarHBondContact O-CG 3.5Å; S674-K678 PolarHBondContact O-N 2.73Å; C675-K678 PolarHBondContact O-N 3.37Å; K678-I680 VanDerWaalsContact C-N 3.33Å; K678-I680 PolarHBondContact O-N 3.27Å; K678-L681 PolarHBondContact O-N 2.84Å; K678-Q682 WeakPolarHBondContact O-CA 3.3Å; K678-Q682 WeakPolarHBondContact O-CB 3.45Å; K678-Q682 PolarHBondContact O-N 3.15Å
679C83.5Confident81.8Confident53 Ų5340.8 Ų40.836%0.35821%0.212SC..Hα-helixtrans-56.1-46-176.8-70.90000112.1I649 C675 Y676 S683I649-C679 HydrophobicContact CG2-CB 4.39Å; C675-C679 WeakPolarHBondContact O-CB 3.33Å; C675-C679 PolarHBondContact O-N 2.7Å; C675-C679 PolarHBondContact O-SG 2.97Å; Y676-C679 PolarHBondContact O-N 2.81Å; C679-S683 WeakPolarHBondContact O-CB 3.48Å; C679-S683 PolarHBondContact O-N 3.44Å; C679-S683 VanDerWaalsContact O-N 3.12Å; C679-S683 PolarHBondContact O-OG 2.95Å; C679-S683 VanDerWaalsContact O-OG 3.04Å
680I85.4Confident82.6Confident6 Ų636.4 Ų36.43%0.03118%0.184CC..Hα-helixtrans-71.8-51.7179.2-68.4-175.4000111F540 L541 I544 Y676 E677 K678 Q682 S683 L684F540-I680 HydrophobicContact CE1-CG2 4.25Å; L541-I680 HydrophobicContact CD1-CB 4.27Å; L541-I680 HydrophobicContact CD1-CD1 3.93Å; I544-I680 HydrophobicContact CG2-CD1 4.21Å; Y676-I680 HydrophobicContact CD1-CD1 4.26Å; Y676-I680 HydrophobicContact CE1-CD1 3.49Å; Y676-I680 VanDerWaalsContact CE1-CD1 3.49Å; Y676-I680 HydrophobicContact CE1-CG1 4.44Å; Y676-I680 PolarHBondContact O-N 3.03Å; Y676-I680 VanDerWaalsContact O-N 3.16Å; E677-I680 PolarHBondContact O-N 3.07Å; K678-I680 VanDerWaalsContact C-N 3.33Å; K678-I680 PolarHBondContact O-N 3.27Å; I680-Q682 PolarHBondContact O-N 3.33Å; I680-S683 PolarHBondContact O-N 2.82Å; I680-S683 PolarHBondContact O-OG 3.13Å; I680-L684 HydrophobicContact CG2-CD1 3.99Å; I680-L684 WeakPolarHBondContact O-CG 3.46Å; I680-L684 PolarHBondContact O-N 3.19Å; I680-L684 VanDerWaalsContact O-N 3.16Å
681L85.2Confident83.3Confident25 Ų2534.6 Ų34.613%0.13118%0.183CC..Hα-helixtrans-63-43.1-176.9-64.6-169.4000112.5I112 V537 F540 E677 K678 L684 I685I112-L681 HydrophobicContact CD1-CD2 4.35Å; I112-L681 HydrophobicContact CG2-CD1 4.35Å; I112-L681 HydrophobicContact CG2-CD2 3.81Å; V537-L681 HydrophobicContact CG1-CD1 3.84Å; V537-L681 HydrophobicContact CG2-CD1 4.27Å; F540-L681 HydrophobicContact CD1-CD2 4.15Å; F540-L681 HydrophobicContact CE1-CD2 3.92Å; E677-L681 HydrophobicContact CG-CD1 4.16Å; E677-L681 WeakPolarHBondContact O-CB 3.46Å; E677-L681 WeakPolarHBondContact O-CG 3.5Å; E677-L681 PolarHBondContact O-N 3.03Å; K678-L681 PolarHBondContact O-N 2.84Å; L681-L684 PolarHBondContact O-N 3.42Å; L681-I685 WeakPolarHBondContact O-CB 3.35Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.24Å; L681-I685 WeakPolarHBondContact O-CG1 3.17Å; L681-I685 PolarHBondContact O-N 2.96Å
682Q86Confident84.2Confident80 Ų8034.6 Ų34.637%0.37418%0.183SC..Hα-helixtrans-63.6-45.7176.6-173.7176.4-14.100111S297 K678 I680 L684 I685 E686S297-Q682 PolarHBondContact OG-NE2 3.34Å; K678-Q682 WeakPolarHBondContact O-CA 3.3Å; K678-Q682 WeakPolarHBondContact O-CB 3.45Å; K678-Q682 PolarHBondContact O-N 3.15Å; I680-Q682 PolarHBondContact O-N 3.33Å; Q682-L684 PolarHBondContact O-N 3.29Å; Q682-I685 PolarHBondContact O-N 3.44Å; Q682-E686 HydrophobicContact CG-CG 3.98Å; Q682-E686 VanDerWaalsContact CG-OE1 3.24Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.49Å; Q682-E686 PolarHBondContact NE2-OE1 3.35Å; Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 VanDerWaalsContact O-CG 3.3Å; Q682-E686 WeakPolarHBondContact O-CG 3.42Å; Q682-E686 PolarHBondContact O-N 3.25Å
683S88.1Confident84.9Confident14 Ų1437.6 Ų37.610%0.09819%0.192CC..Hα-helixtrans-63.7-23.1178.8720000114.4C679 I680 A687C679-S683 WeakPolarHBondContact O-CB 3.48Å; C679-S683 PolarHBondContact O-N 3.44Å; C679-S683 VanDerWaalsContact O-N 3.12Å; C679-S683 PolarHBondContact O-OG 2.95Å; C679-S683 VanDerWaalsContact O-OG 3.04Å; I680-S683 PolarHBondContact O-N 2.82Å; I680-S683 PolarHBondContact O-OG 3.13Å; S683-A687 WeakPolarHBondContact O-CB 3.48Å
684L88.1Confident85.6Confident9 Ų933 Ų335%0.04718%0.177CC..Hα-helixtrans-81.7-49171.7-67.3167.7000111.2I112 P513 F540 I680 L681 Q682 E686 A687 D688 W695I112-L684 HydrophobicContact CD1-CB 3.8Å; I112-L684 HydrophobicContact CD1-CD1 3.82Å; I112-L684 HydrophobicContact CD1-CG 4.46Å; P513-L684 HydrophobicContact CB-CD1 4.18Å; P513-L684 HydrophobicContact CB-CD2 4.04Å; P513-L684 HydrophobicContact CG-CD1 4.41Å; P513-L684 HydrophobicContact CG-CD2 3.68Å; F540-L684 HydrophobicContact CE1-CD1 4.16Å; F540-L684 HydrophobicContact CZ-CD1 3.87Å; I680-L684 HydrophobicContact CG2-CD1 3.99Å; I680-L684 WeakPolarHBondContact O-CG 3.46Å; I680-L684 PolarHBondContact O-N 3.19Å; I680-L684 VanDerWaalsContact O-N 3.16Å; L681-L684 PolarHBondContact O-N 3.42Å; Q682-L684 PolarHBondContact O-N 3.29Å; L684-E686 PolarHBondContact O-N 3.09Å; L684-A687 WeakPolarHBondContact O-CB 3.49Å; L684-A687 PolarHBondContact O-N 3.01Å; L684-D688 PolarHBondContact O-N 3.12Å; L684-W695 HydrophobicContact CD2-CD2 3.58Å; L684-W695 HydrophobicContact CD2-CE3 4.11Å; L684-W695 HydrophobicContact CD2-CG 3.75Å; L684-W695 HydrophobicContact CD2-CZ2 4.23Å; L684-W695 HydrophobicContact CG-CD2 4.47Å
685I87.5Confident86.3Confident37 Ų3733 Ų3319%0.1917%0.173CC..Hα-helixtrans-63.5-40.1-178.2-71.1165.6000111.5F108 I112 L681 Q682 L689F108-I685 HydrophobicContact CZ-CG2 4.45Å; I112-I685 HydrophobicContact CD1-CG1 4.42Å; I112-I685 HydrophobicContact CG2-CD1 4.32Å; L681-I685 WeakPolarHBondContact O-CB 3.35Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.24Å; L681-I685 WeakPolarHBondContact O-CG1 3.17Å; L681-I685 PolarHBondContact O-N 2.96Å; Q682-I685 PolarHBondContact O-N 3.44Å; I685-L689 HydrophobicContact CG2-CD1 3.61Å; I685-L689 HydrophobicContact CG2-CG 4.34Å; I685-L689 WeakPolarHBondContact O-CB 3.21Å; I685-L689 VanDerWaalsContact O-CG 3.31Å; I685-L689 WeakPolarHBondContact O-CG 3.48Å; I685-L689 PolarHBondContact O-N 3.21Å
686E89.8Confident86.9Confident10 Ų1034.4 Ų34.45%0.04718%0.183CC..Hα-helixtrans-71.4-29.8176.1-66.6-178172.600113S297 Q682 L684 F690 G691 C692S297-E686 PolarHBondContact OG-OE1 3.17Å; Q682-E686 HydrophobicContact CG-CG 3.98Å; Q682-E686 VanDerWaalsContact CG-OE1 3.24Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.49Å; Q682-E686 PolarHBondContact NE2-OE1 3.35Å; Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 VanDerWaalsContact O-CG 3.3Å; Q682-E686 WeakPolarHBondContact O-CG 3.42Å; Q682-E686 PolarHBondContact O-N 3.25Å; L684-E686 PolarHBondContact O-N 3.09Å; E686-F690 HydrophobicContact CB-CE1 4.37Å; E686-F690 HydrophobicContact CB-CE2 4.09Å; E686-F690 HydrophobicContact CB-CZ 3.88Å; E686-F690 HydrophobicContact CG-CE1 4.16Å; E686-F690 HydrophobicContact CG-CE2 4.25Å; E686-F690 HydrophobicContact CG-CZ 3.62Å; E686-F690 CarbonylContact O-C 3.34Å; E686-F690 PolarHBondContact O-N 3.09Å; E686-G691 PolarHBondContact O-N 3.36Å; E686-C692 HydrophobicContact CB-CB 3.74Å; E686-C692 PolarHBondContact O-N 3.48Å
687A89.2Confident87.3Confident23 Ų2334.8 Ų34.819%0.1919%0.187CC..Hα-helixtrans-68.7-48.2173.600000110.8S683 L684 G691S683-A687 WeakPolarHBondContact O-CB 3.48Å; L684-A687 WeakPolarHBondContact O-CB 3.49Å; L684-A687 PolarHBondContact O-N 3.01Å; A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 3.12Å
688D87.6Confident87.8Confident48 Ų4834.6 Ų34.626%0.25719%0.187SC..Hα-helixtrans-74.4-20.5179.1-86.533.4000113.3H110 S200 N202 K514 L684H110-D688 IonicContact CE1-OD2 3.55Å; S200-D688 WeakPolarHBondContact CB-O 3.47Å; N202-D688 PolarHBondContact ND2-OD2 2.99Å; N202-D688 VanDerWaalsContact ND2-OD2 3.16Å; K514-D688 WeakPolarHBondContact CE-OD2 3.39Å; K514-D688 IonicContact NZ-OD1 2.69Å; K514-D688 IonicContact NZ-OD2 2.73Å; K514-D688 PolarHBondContact NZ-OD2 3.3Å; L684-D688 PolarHBondContact O-N 3.12Å
689L87.5Confident88.3Confident6 Ų629.5 Ų29.53%0.03117%0.165CC..Hα-helixtrans-89.5-50.9175.5-81170.8000114.2F108 I185 M188 L203 I685F108-L689 HydrophobicContact CD2-CD2 4.11Å; F108-L689 HydrophobicContact CE2-CD2 3.5Å; F108-L689 VanDerWaalsContact CE2-CD2 3.5Å; F108-L689 HydrophobicContact CE2-CG 4.02Å; F108-L689 HydrophobicContact CZ-CD1 4.28Å; F108-L689 HydrophobicContact CZ-CD2 3.99Å; F108-L689 HydrophobicContact CZ-CG 4.05Å; I185-L689 HydrophobicContact CG1-CD1 4.11Å; M188-L689 WeakPolarHBondContact CE-O 3.24Å; L203-L689 HydrophobicContact CD2-CD2 4.33Å; I685-L689 HydrophobicContact CG2-CD1 3.61Å; I685-L689 HydrophobicContact CG2-CG 4.34Å; I685-L689 WeakPolarHBondContact O-CB 3.21Å; I685-L689 VanDerWaalsContact O-CG 3.31Å; I685-L689 WeakPolarHBondContact O-CG 3.48Å; I685-L689 PolarHBondContact O-N 3.21Å
690F86.8Confident88.7Confident14 Ų1428.9 Ų28.96%0.06116%0.161CC..Hα-helixtrans-142.123.6-170.155.3-101.7000114.5Y184 M188 P238 P298 P304 N307 E686 C692Y184-F690 HydrophobicContact CG-CE1 4.31Å; M188-F690 HydrophobicContact CE-CB 4.14Å; M188-F690 HydrophobicContact CG-CD1 4.14Å; M188-F690 HydrophobicContact SD-CB 3.96Å; M188-F690 HydrophobicContact SD-CD1 4.42Å; P238-F690 HydrophobicContact CB-CD2 4.07Å; P238-F690 HydrophobicContact CB-CE2 4.06Å; P298-F690 HydrophobicContact CG-CE2 4.04Å; P298-F690 HydrophobicContact CG-CZ 3.95Å; P304-F690 HydrophobicContact CG-CD1 4.42Å; P304-F690 HydrophobicContact CG-CE1 4.43Å; N307-F690 PolarHBondContact ND2-O 3.48Å; N307-F690 VanDerWaalsContact ND2-O 3.16Å; E686-F690 HydrophobicContact CB-CE1 4.37Å; E686-F690 HydrophobicContact CB-CE2 4.09Å; E686-F690 HydrophobicContact CB-CZ 3.88Å; E686-F690 HydrophobicContact CG-CE1 4.16Å; E686-F690 HydrophobicContact CG-CE2 4.25Å; E686-F690 HydrophobicContact CG-CZ 3.62Å; E686-F690 CarbonylContact O-C 3.34Å; E686-F690 PolarHBondContact O-N 3.09Å; F690-C692 WeakPolarHBondContact CE2-SG 3.23Å
691G87.2Confident89Confident36 Ų3629.1 Ų29.137%0.37116%0.164SC..  trans74.829.6165.800000115.3N239 E686 A687 W693N239-G691 PolarHBondContact ND2-O 3.44Å; E686-G691 PolarHBondContact O-N 3.36Å; A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 3.12Å; G691-W693 VanDerWaalsContact O-CD1 3.24Å; G691-W693 PolarHBondContact O-N 2.84Å
692C90.5Very high89.4Confident1 Ų128.1 Ų28.11%0.00716%0.159CC..  trans-59.5126.6172.9-88.60000112.4N239 N296 E686 F690 T694N239-C692 WeakPolarHBondContact OD1-CA 3.4Å; N296-C692 PolarHBondContact O-SG 2.9Å; E686-C692 HydrophobicContact CB-CB 3.74Å; E686-C692 PolarHBondContact O-N 3.48Å; F690-C692 WeakPolarHBondContact CE2-SG 3.23Å; C692-T694 VanDerWaalsContact C-N 3.29Å; C692-T694 PolarHBondContact O-N 2.97Å
693W89.6Confident89.7Confident98 Ų9824.6 Ų24.637%0.37114%0.143SC..THydrogen-bonded Turntrans-78-7.2-175.9-60.7-22.8000114.2N239 L595 G691 W695 P696 V697N239-W693 HydrophobicContact CB-CD2 3.92Å; N239-W693 HydrophobicContact CB-CE3 3.65Å; N239-W693 HydrophobicContact CB-CH2 4.13Å; N239-W693 HydrophobicContact CB-CZ2 4.38Å; N239-W693 HydrophobicContact CB-CZ3 3.75Å; N239-W693 VanDerWaalsContact CG-CD2 3.41Å; N239-W693 PolarHBondContact ND2-NE1 3.08Å; N239-W693 WeakPolarHBondContact OD1-CB 3.11Å; N239-W693 VanDerWaalsContact OD1-CG 3.32Å; N239-W693 PolarHBondContact OD1-N 2.83Å; L595-W693 HydrophobicContact CB-CE3 4.26Å; L595-W693 HydrophobicContact CB-CZ3 3.77Å; L595-W693 HydrophobicContact CD2-CH2 3.9Å; L595-W693 HydrophobicContact CD2-CZ3 3.88Å; L595-W693 HydrophobicContact CG-CZ3 4.27Å; G691-W693 VanDerWaalsContact O-CD1 3.24Å; G691-W693 PolarHBondContact O-N 2.84Å; W693-W695 PolarHBondContact O-N 3.42Å; W693-P696 WeakPolarHBondContact O-CD 3.28Å; W693-V697 HydrophobicContact CB-CG2 3.99Å; W693-V697 VanDerWaalsContact O-CB 3.27Å; W693-V697 WeakPolarHBondContact O-CB 3.4Å; W693-V697 VanDerWaalsContact O-CG2 3.25Å; W693-V697 WeakPolarHBondContact O-CG2 3.34Å; W693-V697 PolarHBondContact O-N 2.9Å
694T89.6Confident90Very high23 Ų2323.9 Ų23.914%0.14114%0.138CC..Hα-helixtrans-54.5-49-176.7-66.10000112.9S295 N296 C692 I698S295-T694 PolarHBondContact O-OG1 3.42Å; N296-T694 WeakPolarHBondContact CB-OG1 3.23Å; N296-T694 PolarHBondContact ND2-OG1 2.88Å; C692-T694 VanDerWaalsContact C-N 3.29Å; C692-T694 PolarHBondContact O-N 2.97Å; T694-I698 HydrophobicContact CG2-CD1 3.68Å; T694-I698 VanDerWaalsContact O-CB 3.32Å; T694-I698 WeakPolarHBondContact O-CB 3.32Å; T694-I698 VanDerWaalsContact O-CG1 3.23Å; T694-I698 WeakPolarHBondContact O-CG1 3.49Å; T694-I698 PolarHBondContact O-N 2.97Å
695W89.5Confident90.2Very high20 Ų2023.7 Ų23.78%0.07614%0.137CC..Hα-helixtrans-65.9-51.2178.7-178.4-108.4000112.7H510 P513 I544 L684 W693 V697 I698 T699H510-W695 AromaticContact CE1-CD1 3.81Å; H510-W695 AromaticContact ND1-CD1 3.42Å; H510-W695 AromaticContact ND1-NE1 3.49Å; H510-W695 PolarHBondContact ND1-NE1 3.08Å; H510-W695 PolarHBondContact O-NE1 3.45Å; H510-W695 VanDerWaalsContact O-NE1 3.07Å; P513-W695 HydrophobicContact CG-CH2 4.34Å; P513-W695 HydrophobicContact CG-CZ2 3.48Å; P513-W695 VanDerWaalsContact CG-CZ2 3.48Å; I544-W695 HydrophobicContact CD1-CH2 3.57Å; I544-W695 HydrophobicContact CD1-CZ2 4.09Å; I544-W695 HydrophobicContact CD1-CZ3 4.46Å; I544-W695 HydrophobicContact CG1-CH2 4.4Å; L684-W695 HydrophobicContact CD2-CD2 3.58Å; L684-W695 HydrophobicContact CD2-CE3 4.11Å; L684-W695 HydrophobicContact CD2-CG 3.75Å; L684-W695 HydrophobicContact CD2-CZ2 4.23Å; L684-W695 HydrophobicContact CG-CD2 4.47Å; W693-W695 PolarHBondContact O-N 3.42Å; W695-V697 PolarHBondContact O-N 2.95Å; W695-I698 PolarHBondContact O-N 2.64Å; W695-T699 HydrophobicContact CD2-CG2 4Å; W695-T699 HydrophobicContact CE3-CG2 4.22Å; W695-T699 HydrophobicContact CH2-CG2 3.77Å; W695-T699 HydrophobicContact CZ2-CG2 3.56Å; W695-T699 HydrophobicContact CZ3-CG2 4.12Å; W695-T699 WeakPolarHBondContact O-CB 3.36Å; W695-T699 PolarHBondContact O-N 2.93Å; W695-T699 PolarHBondContact O-OG1 2.98Å
696P90.6Very high90.5Very high44 Ų4422 Ų2229%0.28613%0.128SC..Hα-helixtrans-55.8-43.8172.7-27.733.4000115.4W693 T699 C700 G701W693-P696 WeakPolarHBondContact O-CD 3.28Å; P696-T699 PolarHBondContact O-N 3.38Å; P696-C700 WeakPolarHBondContact O-CB 3.34Å; P696-C700 PolarHBondContact O-N 3.02Å; P696-G701 PolarHBondContact O-N 3.44Å
697V91.7Very high90.6Very high23 Ų2321.7 Ų21.714%0.13913%0.127CC..Iπ-helixtrans-68.8-39.7-177.9169.70000111F588 L592 W693 W695 G701 Y702F588-V697 HydrophobicContact CE2-CG1 4.32Å; F588-V697 HydrophobicContact CZ-CG1 3.97Å; L592-V697 HydrophobicContact CD1-CG1 4Å; L592-V697 HydrophobicContact CD1-CG2 4.3Å; L592-V697 HydrophobicContact CD2-CG1 4.14Å; W693-V697 HydrophobicContact CB-CG2 3.99Å; W693-V697 VanDerWaalsContact O-CB 3.27Å; W693-V697 WeakPolarHBondContact O-CB 3.4Å; W693-V697 VanDerWaalsContact O-CG2 3.25Å; W693-V697 WeakPolarHBondContact O-CG2 3.34Å; W693-V697 PolarHBondContact O-N 2.9Å; W695-V697 PolarHBondContact O-N 2.95Å; V697-G701 WeakPolarHBondContact O-CA 2.97Å; V697-G701 PolarHBondContact O-N 2.88Å; V697-Y702 PolarHBondContact O-N 3.14Å
698I90.1Very high90.7Very high45 Ų4520.8 Ų20.823%0.23112%0.119CC..Iπ-helixtrans-68.5-41.3176.1-70.6173.2000111.3T645 T694 W695 Y702 T703T645-I698 HydrophobicContact CG2-CG2 3.47Å; T645-I698 VanDerWaalsContact CG2-CG2 3.47Å; T694-I698 HydrophobicContact CG2-CD1 3.68Å; T694-I698 VanDerWaalsContact O-CB 3.32Å; T694-I698 WeakPolarHBondContact O-CB 3.32Å; T694-I698 VanDerWaalsContact O-CG1 3.23Å; T694-I698 WeakPolarHBondContact O-CG1 3.49Å; T694-I698 PolarHBondContact O-N 2.97Å; W695-I698 PolarHBondContact O-N 2.64Å; I698-Y702 WeakPolarHBondContact O-CB 3.49Å; I698-T703 WeakPolarHBondContact O-CG2 3.38Å; I698-T703 PolarHBondContact O-N 3.26Å
699T90.6Very high90.8Very high4 Ų418.6 Ų18.63%0.02511%0.107CC..Iπ-helixtrans-85.7-70.5-175.7510000113.1L509 H510 W695 P696 G701 T703 S704L509-T699 HydrophobicContact CB-CG2 4.38Å; H510-T699 WeakPolarHBondContact CB-OG1 3.49Å; H510-T699 PolarHBondContact ND1-OG1 3.27Å; W695-T699 HydrophobicContact CD2-CG2 4Å; W695-T699 HydrophobicContact CE3-CG2 4.22Å; W695-T699 HydrophobicContact CH2-CG2 3.77Å; W695-T699 HydrophobicContact CZ2-CG2 3.56Å; W695-T699 HydrophobicContact CZ3-CG2 4.12Å; W695-T699 WeakPolarHBondContact O-CB 3.36Å; W695-T699 PolarHBondContact O-N 2.93Å; W695-T699 PolarHBondContact O-OG1 2.98Å; P696-T699 PolarHBondContact O-N 3.38Å; T699-G701 VanDerWaalsContact C-N 3.27Å; T699-G701 PolarHBondContact O-N 3.49Å; T699-T703 PolarHBondContact O-OG1 3.49Å; T699-S704 PolarHBondContact O-OG 3.04Å
700C91.4Very high90.9Very high41 Ų4119.3 Ų19.328%0.27711%0.109SC..Iπ-helixtrans-65.2-29.6-176.3-67.10000113.3F503 H510 P696 S704F503-C700 WeakPolarHBondContact CD1-O 3.39Å; F503-C700 WeakPolarHBondContact CE1-O 3.48Å; H510-C700 VanDerWaalsContact CB-SG 3.55Å; P696-C700 WeakPolarHBondContact O-CB 3.34Å; P696-C700 PolarHBondContact O-N 3.02Å; C700-S704 VanDerWaalsContact O-CB 3.32Å; C700-S704 WeakPolarHBondContact O-CB 3.41Å; C700-S704 PolarHBondContact O-OG 2.94Å
701G93.1Very high90.8Very high10 Ų1018.7 Ų18.710%0.10311%0.107CC..Iπ-helixtrans-91.5-76.5177.300000113.5P696 V697 T699 S704 L705P696-G701 PolarHBondContact O-N 3.44Å; V697-G701 WeakPolarHBondContact O-CA 2.97Å; V697-G701 PolarHBondContact O-N 2.88Å; T699-G701 VanDerWaalsContact C-N 3.27Å; T699-G701 PolarHBondContact O-N 3.49Å; G701-S704 PolarHBondContact O-N 3.16Å; G701-L705 WeakPolarHBondContact O-CG 3.48Å; G701-L705 PolarHBondContact O-N 2.98Å; G701-L705 VanDerWaalsContact O-N 3.08Å
702Y93.7Very high90.5Very high5 Ų517.7 Ų17.72%0.0210%0.095CC..Iπ-helixtrans-65.7-49.3-166.4-175.4-84.8000113.4W585 L603 T607 T643 T645 L648 V697 I698 L705 W706W585-Y702 AromaticContact CH2-CD2 3.59Å; W585-Y702 HydrophobicContact CH2-CD2 3.59Å; W585-Y702 AromaticContact CH2-CE2 3.57Å; W585-Y702 HydrophobicContact CH2-CE2 3.57Å; W585-Y702 HydrophobicContact CH2-CG 4.28Å; W585-Y702 AromaticContact CZ3-CD2 3.95Å; W585-Y702 HydrophobicContact CZ3-CD2 3.95Å; W585-Y702 HydrophobicContact CZ3-CE2 4.02Å; L603-Y702 HydrophobicContact CD1-CD2 4.02Å; L603-Y702 HydrophobicContact CD2-CD2 3.98Å; L603-Y702 HydrophobicContact CD2-CE2 3.83Å; T607-Y702 HydrophobicContact CG2-CE2 3.94Å; T643-Y702 WeakPolarHBondContact CB-OH 3.36Å; T643-Y702 WeakPolarHBondContact O-CE1 3.31Å; T643-Y702 PolarHBondContact O-OH 3.23Å; T645-Y702 WeakPolarHBondContact OG1-CD1 3.32Å; L648-Y702 WeakPolarHBondContact CD1-OH 3.42Å; V697-Y702 PolarHBondContact O-N 3.14Å; I698-Y702 WeakPolarHBondContact O-CB 3.49Å; Y702-L705 PolarHBondContact O-N 3.24Å; Y702-W706 HydrophobicContact CE1-CB 4.49Å; Y702-W706 VanDerWaalsContact O-CB 3.29Å; Y702-W706 WeakPolarHBondContact O-CB 3.36Å; Y702-W706 PolarHBondContact O-N 3.24Å
703T91.9Very high89.9Confident5 Ų519.7 Ų19.73%0.03111%0.105CC..Iπ-helixtrans-66.8-38.5178.458.30000111.9L509 T645 I698 T699 L705 W706 L707L509-T703 HydrophobicContact CD1-CG2 4.44Å; T645-T703 HydrophobicContact CG2-CG2 4.16Å; T645-T703 WeakPolarHBondContact OG1-CG2 3.39Å; I698-T703 WeakPolarHBondContact O-CG2 3.38Å; I698-T703 PolarHBondContact O-N 3.26Å; T699-T703 PolarHBondContact O-OG1 3.49Å; T703-L705 VanDerWaalsContact C-N 3.33Å; T703-L705 PolarHBondContact O-N 3.32Å; T703-W706 PolarHBondContact O-N 2.94Å; T703-L707 VanDerWaalsContact O-CB 3.3Å; T703-L707 WeakPolarHBondContact O-CB 3.43Å; T703-L707 WeakPolarHBondContact O-CD1 3.37Å; T703-L707 WeakPolarHBondContact O-CG 3.45Å; T703-L707 PolarHBondContact O-N 2.98Å
704S93.5Very high88.8Confident0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-53.5-48.6172.9-55.50000112C502 T699 C700 G701 L707 L708C502-S704 WeakPolarHBondContact CB-O 3.49Å; T699-S704 PolarHBondContact O-OG 3.04Å; C700-S704 VanDerWaalsContact O-CB 3.32Å; C700-S704 WeakPolarHBondContact O-CB 3.41Å; C700-S704 PolarHBondContact O-OG 2.94Å; G701-S704 PolarHBondContact O-N 3.16Å; S704-L707 PolarHBondContact O-N 2.94Å; S704-L708 WeakPolarHBondContact O-CB 3.37Å; S704-L708 PolarHBondContact O-N 3.47Å
705L93.8Very high88.8Confident5 Ų522.4 Ų22.43%0.02612%0.119CC..Hα-helixtrans-74.7-34.5-179-68.9169.9000112.9F503 W585 F588 G701 Y702 T703 L707 L708 T709F503-L705 HydrophobicContact CE2-CD2 4.17Å; F503-L705 HydrophobicContact CZ-CD2 3.83Å; F503-L705 HydrophobicContact CZ-CG 4.06Å; W585-L705 HydrophobicContact CD2-CB 4.16Å; W585-L705 HydrophobicContact CH2-CB 4.27Å; W585-L705 HydrophobicContact CZ2-CB 3.68Å; W585-L705 PolarHBondContact NE1-O 3.18Å; F588-L705 HydrophobicContact CB-CD1 3.31Å; F588-L705 HydrophobicContact CD1-CD1 3.71Å; F588-L705 HydrophobicContact CD2-CD1 3.92Å; F588-L705 HydrophobicContact CG-CD1 3.36Å; G701-L705 WeakPolarHBondContact O-CG 3.48Å; G701-L705 PolarHBondContact O-N 2.98Å; G701-L705 VanDerWaalsContact O-N 3.08Å; Y702-L705 PolarHBondContact O-N 3.24Å; T703-L705 VanDerWaalsContact C-N 3.33Å; T703-L705 PolarHBondContact O-N 3.32Å; L705-L707 VanDerWaalsContact C-N 3.33Å; L705-L708 HydrophobicContact CD2-CD2 4.28Å; L705-L708 PolarHBondContact O-N 3.2Å; L705-T709 PolarHBondContact O-N 3.35Å; L705-T709 PolarHBondContact O-OG1 3.06Å
706W93.5Very high88.7Confident1 Ų122.5 Ų22.50%0.00412%0.121CC..Hα-helixtrans-61.7-43.2172.7-17399.3000111M552 W585 W640 T643 F644 Y702 T703 T709 W710M552-W706 HydrophobicContact CB-CZ3 4.41Å; M552-W706 HydrophobicContact CG-CH2 3.86Å; M552-W706 HydrophobicContact CG-CZ3 3.87Å; M552-W706 HydrophobicContact SD-CH2 3.71Å; M552-W706 HydrophobicContact SD-CZ3 4.24Å; W585-W706 HydrophobicContact CZ2-CB 4.41Å; W640-W706 AromaticContact CD1-CE2 3.4Å; W640-W706 AromaticContact CD1-CZ2 3.57Å; W640-W706 AromaticContact CD1-NE1 3.35Å; W640-W706 AromaticContact CE2-CD1 3.52Å; W640-W706 AromaticContact CE2-NE1 3.61Å; W640-W706 HydrophobicContact CG-CZ2 4.46Å; W640-W706 AromaticContact CG-NE1 3.87Å; W640-W706 AromaticContact CZ2-CD1 3.72Å; W640-W706 HydrophobicContact CZ2-CG 4.25Å; W640-W706 AromaticContact NE1-CD1 3.36Å; W640-W706 AromaticContact NE1-CD2 3.7Å; W640-W706 AromaticContact NE1-CE2 3.39Å; W640-W706 AromaticContact NE1-CG 3.65Å; W640-W706 AromaticContact NE1-NE1 3.2Å; W640-W706 VanDerWaalsContact NE1-NE1 3.2Å; W640-W706 PolarHBondContact NE1-O 2.95Å; W640-W706 WeakPolarHBondContact O-CZ2 3.5Å; W640-W706 PolarHBondContact O-NE1 3.11Å; T643-W706 PolarHBondContact OG1-NE1 3.28Å; F644-W706 HydrophobicContact CB-CH2 4.28Å; F644-W706 HydrophobicContact CB-CZ2 3.63Å; F644-W706 AromaticContact CD2-CD2 3.83Å; F644-W706 HydrophobicContact CD2-CD2 3.83Å; F644-W706 AromaticContact CD2-CE2 3.8Å; F644-W706 AromaticContact CD2-CE3 3.68Å; F644-W706 HydrophobicContact CD2-CE3 3.68Å; F644-W706 AromaticContact CD2-CH2 3.62Å; F644-W706 HydrophobicContact CD2-CH2 3.62Å; F644-W706 AromaticContact CD2-CZ2 3.73Å; F644-W706 HydrophobicContact CD2-CZ2 3.73Å; F644-W706 AromaticContact CD2-CZ3 3.58Å; F644-W706 HydrophobicContact CD2-CZ3 3.58Å; F644-W706 HydrophobicContact CE2-CE3 4.09Å; F644-W706 HydrophobicContact CE2-CH2 4.18Å; F644-W706 AromaticContact CE2-CZ3 3.84Å; F644-W706 HydrophobicContact CE2-CZ3 3.84Å; F644-W706 HydrophobicContact CG-CH2 4.11Å; F644-W706 AromaticContact CG-CZ2 3.95Å; F644-W706 HydrophobicContact CG-CZ2 3.95Å; F644-W706 HydrophobicContact CG-CZ3 4.5Å; Y702-W706 HydrophobicContact CE1-CB 4.49Å; Y702-W706 VanDerWaalsContact O-CB 3.29Å; Y702-W706 WeakPolarHBondContact O-CB 3.36Å; Y702-W706 PolarHBondContact O-N 3.24Å; T703-W706 PolarHBondContact O-N 2.94Å; W706-T709 WeakPolarHBondContact CA-OG1 3.37Å; W706-T709 PolarHBondContact O-N 3.08Å; W706-T709 PolarHBondContact O-OG1 2.97Å; W706-W710 HydrophobicContact CE3-CB 4.11Å; W706-W710 HydrophobicContact CH2-CB 4.14Å; W706-W710 AromaticContact CH2-CD2 3.61Å; W706-W710 HydrophobicContact CH2-CD2 3.61Å; W706-W710 AromaticContact CH2-CE3 3.69Å; W706-W710 HydrophobicContact CH2-CE3 3.69Å; W706-W710 AromaticContact CH2-CG 3.84Å; W706-W710 HydrophobicContact CH2-CG 3.84Å; W706-W710 HydrophobicContact CH2-CZ3 4.28Å; W706-W710 HydrophobicContact CZ2-CD2 4.47Å; W706-W710 HydrophobicContact CZ2-CE3 4.12Å; W706-W710 HydrophobicContact CZ3-CB 3.72Å; W706-W710 AromaticContact CZ3-CD2 3.98Å; W706-W710 HydrophobicContact CZ3-CD2 3.98Å; W706-W710 HydrophobicContact CZ3-CE3 4.42Å; W706-W710 AromaticContact CZ3-CG 3.67Å; W706-W710 HydrophobicContact CZ3-CG 3.67Å; W706-W710 WeakPolarHBondContact O-CB 3.48Å; W706-W710 PolarHBondContact O-N 3.31Å
707L91.3Very high88.6Confident3 Ų321.3 Ų21.32%0.01611%0.112CC..Hα-helixtrans-66.8-37.8175.4-70.7168.2000112.2C502 M505 V551 L555 T703 S704 L705 W710 L711C502-L707 HydrophobicContact CB-CB 4.44Å; M505-L707 HydrophobicContact CB-CD1 4.45Å; M505-L707 HydrophobicContact CG-CD1 4.41Å; V551-L707 HydrophobicContact CG1-CD1 3.57Å; V551-L707 HydrophobicContact CG1-CD2 3.88Å; V551-L707 HydrophobicContact CG1-CG 4.38Å; L555-L707 HydrophobicContact CD2-CB 3.74Å; L555-L707 HydrophobicContact CD2-CD1 4.34Å; L555-L707 HydrophobicContact CD2-CD2 3.93Å; L555-L707 HydrophobicContact CD2-CG 4.21Å; T703-L707 VanDerWaalsContact O-CB 3.3Å; T703-L707 WeakPolarHBondContact O-CB 3.43Å; T703-L707 WeakPolarHBondContact O-CD1 3.37Å; T703-L707 WeakPolarHBondContact O-CG 3.45Å; T703-L707 PolarHBondContact O-N 2.98Å; S704-L707 PolarHBondContact O-N 2.94Å; L705-L707 VanDerWaalsContact C-N 3.33Å; L707-W710 WeakPolarHBondContact O-CB 3.39Å; L707-W710 PolarHBondContact O-N 3.02Å; L707-L711 PolarHBondContact O-N 3.41Å
708L90.8Very high88.5Confident5 Ų521.2 Ų21.23%0.02611%0.11CC..Hα-helixtrans-61.5-45.1175.3-177.464.9000111.3R498 L499 C502 S704 L705 A712R498-L708 HydrophobicContact CB-CD1 4.13Å; L499-L708 HydrophobicContact CD2-CD2 3.97Å; L499-L708 HydrophobicContact CG-CD1 4.48Å; C502-L708 HydrophobicContact CB-CB 4.24Å; C502-L708 WeakPolarHBondContact SG-CA 3.41Å; C502-L708 PolarHBondContact SG-N 3.05Å; C502-L708 VanDerWaalsContact SG-N 3.38Å; S704-L708 WeakPolarHBondContact O-CB 3.37Å; S704-L708 PolarHBondContact O-N 3.47Å; L705-L708 HydrophobicContact CD2-CD2 4.28Å; L705-L708 PolarHBondContact O-N 3.2Å; L708-A712 PolarHBondContact O-N 3.31Å
709T89.8Confident88.4Confident2 Ų219.7 Ų19.71%0.01210%0.103CC..Hα-helixtrans-65.5-39.1171.434.50000112.8C581 L611 W640 L705 W706 L711 A712 I713C581-T709 HydrophobicContact CB-CG2 3.7Å; L611-T709 HydrophobicContact CD2-CG2 3.77Å; W640-T709 VanDerWaalsContact CE2-OG1 3.29Å; W640-T709 HydrophobicContact CZ2-CG2 4.21Å; W640-T709 WeakPolarHBondContact CZ2-OG1 3.47Å; W640-T709 PolarHBondContact NE1-OG1 3.27Å; L705-T709 PolarHBondContact O-N 3.35Å; L705-T709 PolarHBondContact O-OG1 3.06Å; W706-T709 WeakPolarHBondContact CA-OG1 3.37Å; W706-T709 PolarHBondContact O-N 3.08Å; W706-T709 PolarHBondContact O-OG1 2.97Å; T709-L711 VanDerWaalsContact C-N 3.33Å; T709-L711 PolarHBondContact O-N 2.95Å; T709-A712 CarbonylContact O-C 3.57Å; T709-A712 WeakPolarHBondContact O-CA 3.13Å; T709-A712 WeakPolarHBondContact O-CB 3.38Å; T709-A712 PolarHBondContact O-N 3.25Å; T709-I713 WeakPolarHBondContact O-CG1 3.46Å; T709-I713 PolarHBondContact O-N 3.37Å
710W88.8Confident88.2Confident20 Ų2020.7 Ų20.78%0.07611%0.108CC..Hα-helixtrans-59-43.5177.9-174.1-118.2000111.8M552 L641 W706 L707 A712 I713 F714M552-W710 HydrophobicContact CG-CZ2 4.12Å; M552-W710 PolarHBondContact O-NE1 3.14Å; M552-W710 HydrophobicContact SD-CZ2 4.33Å; L641-W710 HydrophobicContact CD1-CH2 4.41Å; L641-W710 HydrophobicContact CD2-CH2 3.68Å; L641-W710 HydrophobicContact CD2-CZ2 4.44Å; L641-W710 HydrophobicContact CD2-CZ3 3.95Å; L641-W710 HydrophobicContact CG-CH2 4.15Å; L641-W710 HydrophobicContact CG-CZ3 4.12Å; W706-W710 HydrophobicContact CE3-CB 4.11Å; W706-W710 HydrophobicContact CH2-CB 4.14Å; W706-W710 AromaticContact CH2-CD2 3.61Å; W706-W710 HydrophobicContact CH2-CD2 3.61Å; W706-W710 AromaticContact CH2-CE3 3.69Å; W706-W710 HydrophobicContact CH2-CE3 3.69Å; W706-W710 AromaticContact CH2-CG 3.84Å; W706-W710 HydrophobicContact CH2-CG 3.84Å; W706-W710 HydrophobicContact CH2-CZ3 4.28Å; W706-W710 HydrophobicContact CZ2-CD2 4.47Å; W706-W710 HydrophobicContact CZ2-CE3 4.12Å; W706-W710 HydrophobicContact CZ3-CB 3.72Å; W706-W710 AromaticContact CZ3-CD2 3.98Å; W706-W710 HydrophobicContact CZ3-CD2 3.98Å; W706-W710 HydrophobicContact CZ3-CE3 4.42Å; W706-W710 AromaticContact CZ3-CG 3.67Å; W706-W710 HydrophobicContact CZ3-CG 3.67Å; W706-W710 WeakPolarHBondContact O-CB 3.48Å; W706-W710 PolarHBondContact O-N 3.31Å; L707-W710 WeakPolarHBondContact O-CB 3.39Å; L707-W710 PolarHBondContact O-N 3.02Å; W710-A712 PolarHBondContact O-N 3.21Å; W710-I713 WeakPolarHBondContact O-CB 3.39Å; W710-I713 PolarHBondContact O-N 2.66Å; W710-I713 VanDerWaalsContact O-N 3.07Å; W710-F714 HydrophobicContact CD2-CD2 4.24Å; W710-F714 HydrophobicContact CE3-CD2 4.35Å; W710-F714 HydrophobicContact CE3-CE2 4.4Å; W710-F714 HydrophobicContact CH2-CD2 4.08Å; W710-F714 AromaticContact CH2-CE2 3.43Å; W710-F714 HydrophobicContact CH2-CE2 3.43Å; W710-F714 VanDerWaalsContact CH2-CE2 3.43Å; W710-F714 HydrophobicContact CH2-CZ 4.28Å; W710-F714 AromaticContact CZ2-CD2 3.95Å; W710-F714 HydrophobicContact CZ2-CD2 3.95Å; W710-F714 AromaticContact CZ2-CE2 3.58Å; W710-F714 HydrophobicContact CZ2-CE2 3.58Å; W710-F714 HydrophobicContact CZ2-CZ 4.33Å; W710-F714 HydrophobicContact CZ3-CD2 4.28Å; W710-F714 AromaticContact CZ3-CE2 3.87Å; W710-F714 HydrophobicContact CZ3-CE2 3.87Å; W710-F714 PolarHBondContact O-N 2.77Å
711L85.6Confident88Confident2 Ų219.3 Ų19.31%0.0110%0.096CC..Hα-helixtrans-67.7-11.9170.6-69.8-177.8000114.6R498 C502 L555 P556 M559 L707 T709R498-L711 PolarHBondContact NH1-O 3.48Å; R498-L711 PolarHBondContact NH2-O 2.92Å; C502-L711 VanDerWaalsContact SG-CD1 3.6Å; L555-L711 HydrophobicContact CD2-CD1 3.8Å; L555-L711 HydrophobicContact CD2-CD2 4.29Å; L555-L711 HydrophobicContact CD2-CG 3.91Å; L555-L711 HydrophobicContact CG-CD1 4.05Å; L555-L711 HydrophobicContact CG-CD2 4.16Å; L555-L711 HydrophobicContact CG-CG 4.27Å; P556-L711 HydrophobicContact CB-CD2 4.16Å; P556-L711 HydrophobicContact CG-CD2 4.08Å; M559-L711 HydrophobicContact CB-CD2 4.25Å; M559-L711 HydrophobicContact CG-CD1 3.71Å; M559-L711 HydrophobicContact CG-CD2 3.84Å; M559-L711 HydrophobicContact CG-CG 4.44Å; M559-L711 HydrophobicContact SD-CD1 4.37Å; L707-L711 PolarHBondContact O-N 3.41Å; T709-L711 VanDerWaalsContact C-N 3.33Å; T709-L711 PolarHBondContact O-N 2.95Å
712A81.8Confident87.6Confident15 Ų1520 Ų2012%0.12410%0.095CC..Hα-helixtrans-90.1-23.7169.900000111.5F614 L708 T709 W710F614-A712 HydrophobicContact CE1-CB 3.77Å; F614-A712 HydrophobicContact CZ-CB 3.63Å; F614-A712 WeakPolarHBondContact CZ-O 3.22Å; L708-A712 PolarHBondContact O-N 3.31Å; T709-A712 CarbonylContact O-C 3.57Å; T709-A712 WeakPolarHBondContact O-CA 3.13Å; T709-A712 WeakPolarHBondContact O-CB 3.38Å; T709-A712 PolarHBondContact O-N 3.25Å; W710-A712 PolarHBondContact O-N 3.21Å
713I76.8Confident87.1Confident42 Ų4221.3 Ų21.322%0.21510%0.102CC..Hα-helixtrans-76.8-41.2173.3-45.6-152.4000111.2F614 I637 W640 T709 W710F614-I713 HydrophobicContact CD2-CD1 4.17Å; F614-I713 HydrophobicContact CD2-CG1 4.09Å; F614-I713 HydrophobicContact CE2-CB 4.22Å; F614-I713 HydrophobicContact CE2-CD1 4.21Å; F614-I713 HydrophobicContact CE2-CG1 3.63Å; F614-I713 HydrophobicContact CZ-CG1 4.1Å; I637-I713 HydrophobicContact CD1-CG2 4.21Å; I637-I713 HydrophobicContact CG1-CG2 3.78Å; W640-I713 HydrophobicContact CB-CD1 4.26Å; W640-I713 HydrophobicContact CG-CD1 4.2Å; T709-I713 WeakPolarHBondContact O-CG1 3.46Å; T709-I713 PolarHBondContact O-N 3.37Å; W710-I713 WeakPolarHBondContact O-CB 3.39Å; W710-I713 PolarHBondContact O-N 2.66Å; W710-I713 VanDerWaalsContact O-N 3.07Å
714F67.3Low86.6Confident155 Ų15522.7 Ų22.768%0.6811%0.108SC*.  trans-106.90-179.5-81.7-94.4000112.4W710W710-F714 HydrophobicContact CD2-CD2 4.24Å; W710-F714 HydrophobicContact CE3-CD2 4.35Å; W710-F714 HydrophobicContact CE3-CE2 4.4Å; W710-F714 HydrophobicContact CH2-CD2 4.08Å; W710-F714 AromaticContact CH2-CE2 3.43Å; W710-F714 HydrophobicContact CH2-CE2 3.43Å; W710-F714 VanDerWaalsContact CH2-CE2 3.43Å; W710-F714 HydrophobicContact CH2-CZ 4.28Å; W710-F714 AromaticContact CZ2-CD2 3.95Å; W710-F714 HydrophobicContact CZ2-CD2 3.95Å; W710-F714 AromaticContact CZ2-CE2 3.58Å; W710-F714 HydrophobicContact CZ2-CE2 3.58Å; W710-F714 HydrophobicContact CZ2-CZ 4.33Å; W710-F714 HydrophobicContact CZ3-CD2 4.28Å; W710-F714 AromaticContact CZ3-CE2 3.87Å; W710-F714 HydrophobicContact CZ3-CE2 3.87Å; W710-F714 PolarHBondContact O-N 2.77Å

Retrieved 714 of 714 residues in 1048.9 ms (Link to these results)

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