G4M014_SCHMA Loading...

Golgi resident protein GCP60

AlphaFold DB , UniProt , Accession G4M014, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 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
1M38.2Very low62.8Low243 Ų243107.1 Ų107.1100%1.19760%0.601SS**  0110.60-78.4178.8165.200106.6S3M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.17Å
2S45Very low65Low119 Ų119107.3 Ų107.383%0.83260%0.596SS**  trans-63.5115.1174.254.70000107.6L4S2-L4 PolarHBondContact O-N 3.33Å; S2-L4 VanDerWaalsContact O-N 3.14Å
3S50Low66.8Low112 Ų112100.4 Ų100.478%0.78356%0.561SS**PPolyproline II helixtrans-55.9119.5165.240.70000107.1M1M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.17Å
4L48.5Very low68.7Low117 Ų11794.5 Ų94.561%0.61353%0.528SS*.PPolyproline II helixtrans-55.3132.4163.9-84.5146.5000106.5S2 E6S2-L4 PolarHBondContact O-N 3.33Å; S2-L4 VanDerWaalsContact O-N 3.14Å; L4-E6 PolarHBondContact O-N 3.18Å
5P57.5Low70.2Confident88 Ų8897.7 Ų97.757%0.57153%0.534SS*.PPolyproline II helixtrans-56.6133.3-179.219.2-27.9000109D7 C8P5-D7 PolarHBondContact O-N 3.09Å; P5-D7 VanDerWaalsContact O-N 3.09Å; P5-C8 HydrophobicContact CG-CB 4.25Å; P5-C8 WeakPolarHBondContact O-CA 3.46Å; P5-C8 WeakPolarHBondContact O-CB 3.35Å; P5-C8 PolarHBondContact O-N 3Å
6E57.9Low71.5Confident153 Ų15399.3 Ų99.372%0.71554%0.537SS*.Hα-helixtrans-52.9-33.1-176.9-73.7169.3163.300112.5L4 C8 L9 E10L4-E6 PolarHBondContact O-N 3.18Å; E6-C8 PolarHBondContact O-N 2.98Å; E6-C8 VanDerWaalsContact O-N 3.12Å; E6-L9 PolarHBondContact O-N 2.98Å; E6-E10 PolarHBondContact O-N 3.21Å; E6-E10 VanDerWaalsContact O-N 3.16Å
7D61.6Low72.7Confident81 Ų8195 Ų9543%0.43351%0.512SS..Hα-helixtrans-55.4-27.6172.7-135.849.8000112.7P5 N11 K95P5-D7 PolarHBondContact O-N 3.09Å; P5-D7 VanDerWaalsContact O-N 3.09Å; D7-N11 WeakPolarHBondContact O-CB 3.41Å; D7-N11 PolarHBondContact O-N 3.39Å; D7-N11 PolarHBondContact O-ND2 3.14Å; D7-K95 IonicContact OD1-NZ 3.26Å; D7-K95 PolarHBondContact OD1-NZ 3.26Å
8C74.6Confident73.8Confident58 Ų5893.3 Ų93.339%0.39250%0.5SS..Hα-helixtrans-75.5-40.1175.7-169.20000112P5 E6 M12P5-C8 HydrophobicContact CG-CB 4.25Å; P5-C8 WeakPolarHBondContact O-CA 3.46Å; P5-C8 WeakPolarHBondContact O-CB 3.35Å; P5-C8 PolarHBondContact O-N 3Å; E6-C8 PolarHBondContact O-N 2.98Å; E6-C8 VanDerWaalsContact O-N 3.12Å; C8-M12 VanDerWaalsContact O-CB 3.25Å; C8-M12 WeakPolarHBondContact O-CB 3.42Å; C8-M12 PolarHBondContact O-N 3.15Å
9L81.8Confident74.7Confident105 Ų10597.8 Ų97.855%0.5552%0.515SS..Hα-helixtrans-70.1-42.9-178.3-71.7169.2000111.4E6 M12 A13E6-L9 PolarHBondContact O-N 2.98Å; L9-M12 PolarHBondContact O-N 2.92Å; L9-A13 PolarHBondContact O-N 2.84Å
10E86.4Confident75.5Confident27 Ų2799.6 Ų99.613%0.12652%0.518CS..Hα-helixtrans-57.9-53.4175.1-175.7-168.3152.500110.9E6 M12 A13 I14 K97 E98 V101E6-E10 PolarHBondContact O-N 3.21Å; E6-E10 VanDerWaalsContact O-N 3.16Å; E10-M12 VanDerWaalsContact C-N 3.25Å; E10-M12 PolarHBondContact O-N 3.45Å; E10-A13 PolarHBondContact O-N 3.24Å; E10-I14 HydrophobicContact CG-CD1 4.03Å; E10-I14 VanDerWaalsContact O-CG1 3.3Å; E10-I14 WeakPolarHBondContact O-CG1 3.33Å; E10-I14 PolarHBondContact O-N 2.75Å; E10-K97 WeakPolarHBondContact OE1-CB 3.13Å; E10-E98 PolarHBondContact OE1-N 2.89Å; E10-V101 HydrophobicContact CG-CG2 4.03Å
11N89.2Confident76.1Confident75 Ų7595.3 Ų95.340%0.40150%0.495SS..Hα-helixtrans-62.5-32.8179.2-80.8-53.9000112.8D7 K15D7-N11 WeakPolarHBondContact O-CB 3.41Å; D7-N11 PolarHBondContact O-N 3.39Å; D7-N11 PolarHBondContact O-ND2 3.14Å; N11-K15 VanDerWaalsContact O-CG 3.31Å; N11-K15 WeakPolarHBondContact O-CG 2.97Å; N11-K15 PolarHBondContact O-N 2.89Å
12M89.6Confident78.7Confident109 Ų10992.9 Ų92.954%0.53748%0.478SS..Hα-helixtrans-67.1-48.7175.3-169.5172.7-149.600111C8 L9 E10 I14 K15 E16C8-M12 VanDerWaalsContact O-CB 3.25Å; C8-M12 WeakPolarHBondContact O-CB 3.42Å; C8-M12 PolarHBondContact O-N 3.15Å; L9-M12 PolarHBondContact O-N 2.92Å; E10-M12 VanDerWaalsContact C-N 3.25Å; E10-M12 PolarHBondContact O-N 3.45Å; M12-I14 PolarHBondContact O-N 3.12Å; M12-K15 PolarHBondContact O-N 3.38Å; M12-E16 WeakPolarHBondContact O-CG 3.14Å; M12-E16 PolarHBondContact O-N 3Å
13A88.7Confident80.9Confident18 Ų1887.8 Ų87.815%0.14944%0.441CS..Hα-helixtrans-59.7-45.4177.800000111.7L9 E10 K15 E16 F17 V101L9-A13 PolarHBondContact O-N 2.84Å; E10-A13 PolarHBondContact O-N 3.24Å; A13-K15 PolarHBondContact O-N 3.43Å; A13-E16 PolarHBondContact O-N 3.05Å; A13-F17 WeakPolarHBondContact O-CD2 3.41Å; A13-F17 PolarHBondContact O-N 3.25Å; A13-V101 HydrophobicContact CB-CG1 3.8Å
14I92.2Very high82.9Confident18 Ų1886 Ų869%0.09242%0.423CS..Hα-helixtrans-55.4-51.3176.9-69.9170.4000110.7E10 M12 E16 F17 Q18 F25 K97 V101E10-I14 HydrophobicContact CG-CD1 4.03Å; E10-I14 VanDerWaalsContact O-CG1 3.3Å; E10-I14 WeakPolarHBondContact O-CG1 3.33Å; E10-I14 PolarHBondContact O-N 2.75Å; M12-I14 PolarHBondContact O-N 3.12Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.24Å; I14-F17 PolarHBondContact O-N 3.35Å; I14-Q18 HydrophobicContact CG2-CG 4.45Å; I14-Q18 WeakPolarHBondContact O-CG 3.24Å; I14-Q18 PolarHBondContact O-N 3.16Å; I14-F25 HydrophobicContact CB-CD2 4.24Å; I14-F25 HydrophobicContact CB-CE2 4.43Å; I14-F25 HydrophobicContact CB-CG 4.33Å; I14-F25 HydrophobicContact CD1-CD1 4.35Å; I14-F25 HydrophobicContact CD1-CE1 4.27Å; I14-F25 HydrophobicContact CG1-CD1 3.89Å; I14-F25 HydrophobicContact CG1-CD2 4.16Å; I14-F25 HydrophobicContact CG1-CE1 3.73Å; I14-F25 HydrophobicContact CG1-CE2 4.03Å; I14-F25 HydrophobicContact CG1-CG 4.1Å; I14-F25 HydrophobicContact CG1-CZ 3.81Å; I14-F25 HydrophobicContact CG2-CB 3.89Å; I14-F25 HydrophobicContact CG2-CD1 4.23Å; I14-F25 HydrophobicContact CG2-CD2 4.04Å; I14-F25 HydrophobicContact CG2-CG 3.78Å; I14-K97 HydrophobicContact CD1-CD 4.47Å; I14-V101 HydrophobicContact CD1-CG2 4.16Å; I14-V101 HydrophobicContact CG1-CG2 3.64Å
15K91.2Very high85.1Confident143 Ų14380.5 Ų80.562%0.62239%0.394SS*.Hα-helixtrans-63.7-36.5179.8-73.8176.5-178.4178.70112.4N11 M12 A13 K19N11-K15 VanDerWaalsContact O-CG 3.31Å; N11-K15 WeakPolarHBondContact O-CG 2.97Å; N11-K15 PolarHBondContact O-N 2.89Å; M12-K15 PolarHBondContact O-N 3.38Å; A13-K15 PolarHBondContact O-N 3.43Å; K15-K19 WeakPolarHBondContact O-CB 3.39Å; K15-K19 PolarHBondContact O-N 3.37Å
16E91.4Very high86.9Confident123 Ų12379.1 Ų79.158%0.57538%0.382SS*.Hα-helixtrans-64.1-46.7175.5-76.7-174.2169.700111.7M12 A13 I14 K19 K20M12-E16 WeakPolarHBondContact O-CG 3.14Å; M12-E16 PolarHBondContact O-N 3Å; A13-E16 PolarHBondContact O-N 3.05Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.24Å; E16-K19 PolarHBondContact O-N 2.92Å; E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 PolarHBondContact O-N 2.93Å
17F91.4Very high88.6Confident26 Ų2673.7 Ų73.711%0.11436%0.356CS..Hα-helixtrans-61-49.6175.8-83.9-69.8000111.8A13 I14 K19 K20 Y21 F25 I28 I104 N105A13-F17 WeakPolarHBondContact O-CD2 3.41Å; A13-F17 PolarHBondContact O-N 3.25Å; I14-F17 PolarHBondContact O-N 3.35Å; F17-K19 PolarHBondContact O-N 2.69Å; F17-K20 PolarHBondContact O-N 3Å; F17-Y21 HydrophobicContact CD1-CD2 4.03Å; F17-Y21 AromaticContact CD1-CE2 3.72Å; F17-Y21 HydrophobicContact CD1-CE2 3.72Å; F17-Y21 HydrophobicContact CE1-CE2 4.16Å; F17-Y21 WeakPolarHBondContact O-CD2 3.41Å; F17-Y21 PolarHBondContact O-N 3.2Å; F17-F25 HydrophobicContact CB-CD2 3.96Å; F17-F25 HydrophobicContact CB-CE2 3.94Å; F17-F25 AromaticContact CD2-CE2 3.89Å; F17-F25 HydrophobicContact CD2-CE2 3.89Å; F17-F25 HydrophobicContact CG-CE2 4.13Å; F17-I28 HydrophobicContact CB-CD1 3.93Å; F17-I104 HydrophobicContact CD1-CG2 4.14Å; F17-I104 HydrophobicContact CE1-CG2 3.56Å; F17-I104 HydrophobicContact CE2-CG2 4.03Å; F17-I104 HydrophobicContact CZ-CG2 3.51Å; F17-N105 WeakPolarHBondContact CE2-OD1 3.1Å; F17-N105 WeakPolarHBondContact CZ-OD1 3.3Å
18Q92.5Very high90.2Very high64 Ų6469.8 Ų69.830%0.29934%0.336SS..Hα-helixtrans-60.2-44.7178.8-71.3177.4-45.100111.7I14 K22 L23 D24 F25I14-Q18 HydrophobicContact CG2-CG 4.45Å; I14-Q18 WeakPolarHBondContact O-CG 3.24Å; I14-Q18 PolarHBondContact O-N 3.16Å; Q18-K22 WeakPolarHBondContact O-CA 3.42Å; Q18-K22 PolarHBondContact O-N 2.85Å; Q18-L23 WeakPolarHBondContact CA-O 3.47Å; Q18-L23 WeakPolarHBondContact CG-O 3.15Å; Q18-D24 PolarHBondContact NE2-OD1 3.07Å; Q18-F25 HydrophobicContact CG-CB 3.87Å
19K91Very high91.2Very high180 Ų18067 Ų6778%0.78332%0.317SS*.Hα-helixtrans-65.9-41.2178.2-177-179.8178-176.60112.1K15 E16 F17K15-K19 WeakPolarHBondContact O-CB 3.39Å; K15-K19 PolarHBondContact O-N 3.37Å; E16-K19 PolarHBondContact O-N 2.92Å; F17-K19 PolarHBondContact O-N 2.69Å
20K90.5Very high91.9Very high133 Ų13365.5 Ų65.558%0.57831%0.31SS*.Hα-helixtrans-68.6-43.6-176.6-176.5176.7178.9-169.40112.1E16 F17E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 PolarHBondContact O-N 2.93Å; F17-K20 PolarHBondContact O-N 3Å
21Y89.7Confident92.2Very high9 Ų964.9 Ų64.94%0.03531%0.307CS..Hα-helixtrans-99.9-10.5-174.3-63.7-71.4000113.7F17 L23 I28 L118 E119 S122F17-Y21 HydrophobicContact CD1-CD2 4.03Å; F17-Y21 AromaticContact CD1-CE2 3.72Å; F17-Y21 HydrophobicContact CD1-CE2 3.72Å; F17-Y21 HydrophobicContact CE1-CE2 4.16Å; F17-Y21 WeakPolarHBondContact O-CD2 3.41Å; F17-Y21 PolarHBondContact O-N 3.2Å; Y21-L23 PolarHBondContact O-N 3.28Å; Y21-I28 HydrophobicContact CD2-CD1 4.33Å; Y21-L118 HydrophobicContact CD1-CB 3.96Å; Y21-L118 HydrophobicContact CD2-CD1 4.44Å; Y21-L118 HydrophobicContact CE1-CB 3.8Å; Y21-L118 HydrophobicContact CE1-CD1 4.39Å; Y21-L118 HydrophobicContact CE2-CD1 4.15Å; Y21-E119 HydrophobicContact CE1-CG 3.91Å; Y21-S122 WeakPolarHBondContact O-CB 3.17Å; Y21-S122 PolarHBondContact O-OG 3.26Å
22K91.3Very high92.5Very high193 Ų19361.3 Ų61.384%0.83929%0.288SS*.SBendtrans55.833.1-174.6-53.1179.6-179.7-179.80112.7Q18Q18-K22 WeakPolarHBondContact O-CA 3.42Å; Q18-K22 PolarHBondContact O-N 2.85Å
23L91.4Very high92.7Very high11 Ų1158.4 Ų58.46%0.05827%0.273CS..SBendtrans-119157.1178-62176.7000109.3Q18 Y21 I28 L31 Y121 S122 K125Q18-L23 WeakPolarHBondContact CA-O 3.47Å; Q18-L23 WeakPolarHBondContact CG-O 3.15Å; Y21-L23 PolarHBondContact O-N 3.28Å; L23-I28 HydrophobicContact CB-CD1 4.16Å; L23-I28 HydrophobicContact CB-CG1 3.79Å; L23-I28 HydrophobicContact CD1-CG1 4.22Å; L23-L31 HydrophobicContact CD1-CD1 3.88Å; L23-Y121 HydrophobicContact CD1-CD1 3.87Å; L23-Y121 HydrophobicContact CD1-CE1 4.32Å; L23-Y121 HydrophobicContact CD2-CD1 4.35Å; L23-Y121 HydrophobicContact CD2-CE1 4.28Å; L23-S122 WeakPolarHBondContact CD1-OG 3.47Å; L23-K125 HydrophobicContact CD2-CD 3.6Å
24D93.3Very high92.8Very high76 Ų7660.1 Ų60.141%0.40628%0.282SS..  trans-66.2151.3168.2-178.960000110.7Q18 D26 E27 I28Q18-D24 PolarHBondContact NE2-OD1 3.07Å; D24-D26 WeakPolarHBondContact OD2-CB 3.23Å; D24-D26 PolarHBondContact OD2-N 2.9Å; D24-E27 HydrophobicContact CB-CB 4.23Å; D24-E27 WeakPolarHBondContact O-CB 3.38Å; D24-E27 PolarHBondContact O-N 3.24Å; D24-I28 WeakPolarHBondContact O-CG1 3.48Å; D24-I28 PolarHBondContact O-N 2.96Å
25F94.3Very high92.6Very high1 Ų159.2 Ų59.20%0.00428%0.277CS..Hα-helixtrans-70.6-33.9-176.1-169.1-105.8000112.6I14 F17 Q18 E27 I28 F29 Q100 V101 I104I14-F25 HydrophobicContact CB-CD2 4.24Å; I14-F25 HydrophobicContact CB-CE2 4.43Å; I14-F25 HydrophobicContact CB-CG 4.33Å; I14-F25 HydrophobicContact CD1-CD1 4.35Å; I14-F25 HydrophobicContact CD1-CE1 4.27Å; I14-F25 HydrophobicContact CG1-CD1 3.89Å; I14-F25 HydrophobicContact CG1-CD2 4.16Å; I14-F25 HydrophobicContact CG1-CE1 3.73Å; I14-F25 HydrophobicContact CG1-CE2 4.03Å; I14-F25 HydrophobicContact CG1-CG 4.1Å; I14-F25 HydrophobicContact CG1-CZ 3.81Å; I14-F25 HydrophobicContact CG2-CB 3.89Å; I14-F25 HydrophobicContact CG2-CD1 4.23Å; I14-F25 HydrophobicContact CG2-CD2 4.04Å; I14-F25 HydrophobicContact CG2-CG 3.78Å; F17-F25 HydrophobicContact CB-CD2 3.96Å; F17-F25 HydrophobicContact CB-CE2 3.94Å; F17-F25 AromaticContact CD2-CE2 3.89Å; F17-F25 HydrophobicContact CD2-CE2 3.89Å; F17-F25 HydrophobicContact CG-CE2 4.13Å; Q18-F25 HydrophobicContact CG-CB 3.87Å; F25-E27 VanDerWaalsContact C-N 3.31Å; F25-I28 PolarHBondContact O-N 3.4Å; F25-F29 PolarHBondContact O-N 2.99Å; F25-Q100 HydrophobicContact CE1-CB 3.71Å; F25-Q100 HydrophobicContact CZ-CB 4.4Å; F25-V101 HydrophobicContact CE1-CG2 3.89Å; F25-V101 HydrophobicContact CE2-CG2 4.42Å; F25-V101 HydrophobicContact CZ-CB 4.3Å; F25-V101 HydrophobicContact CZ-CG2 3.47Å; F25-V101 VanDerWaalsContact CZ-CG2 3.47Å; F25-I104 HydrophobicContact CD2-CD1 4.41Å; F25-I104 HydrophobicContact CE1-CD1 4.21Å; F25-I104 HydrophobicContact CE2-CD1 3.64Å; F25-I104 HydrophobicContact CZ-CD1 3.52Å
26D94.1Very high92.5Very high59 Ų5953.2 Ų53.232%0.31625%0.251SS..Hα-helixtrans-67.9-35.8174.7-70.8-46.8000110.9D24 F29 D30 K97 Q100D24-D26 WeakPolarHBondContact OD2-CB 3.23Å; D24-D26 PolarHBondContact OD2-N 2.9Å; D26-F29 PolarHBondContact O-N 2.71Å; D26-D30 PolarHBondContact O-N 3.1Å; D26-K97 IonicContact OD1-NZ 3.96Å; D26-K97 PolarHBondContact OD1-NZ 2.82Å; D26-K97 IonicContact OD2-NZ 2.77Å; D26-K97 PolarHBondContact OD2-NZ 3.46Å; D26-Q100 PolarHBondContact OD1-NE2 3.32Å; D26-Q100 PolarHBondContact OD1-OE1 2.88Å
27E94.5Very high92.3Very high38 Ų3852.4 Ų52.418%0.17825%0.251CS..Hα-helixtrans-63.3-43.2172.4-179.4175.3-156.900112.2D24 F25 F29 D30 L31 Y121 K125D24-E27 HydrophobicContact CB-CB 4.23Å; D24-E27 WeakPolarHBondContact O-CB 3.38Å; D24-E27 PolarHBondContact O-N 3.24Å; F25-E27 VanDerWaalsContact C-N 3.31Å; E27-F29 VanDerWaalsContact C-N 3.29Å; E27-F29 PolarHBondContact O-N 2.73Å; E27-D30 PolarHBondContact O-N 2.89Å; E27-L31 HydrophobicContact CG-CD1 4.29Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.38Å; E27-L31 PolarHBondContact O-N 2.82Å; E27-Y121 WeakPolarHBondContact OE1-CE1 3.29Å; E27-Y121 PolarHBondContact OE1-OH 2.94Å; E27-K125 IonicContact OE1-NZ 3.64Å; E27-K125 PolarHBondContact OE1-NZ 3.02Å; E27-K125 IonicContact OE2-NZ 2.75Å; E27-K125 PolarHBondContact OE2-NZ 3.43Å
28I95.3Very high92Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-60.7-41.4175-64.7168.6000110.7F17 Y21 L23 D24 F25 L31 A32 I104 L118F17-I28 HydrophobicContact CB-CD1 3.93Å; Y21-I28 HydrophobicContact CD2-CD1 4.33Å; L23-I28 HydrophobicContact CB-CD1 4.16Å; L23-I28 HydrophobicContact CB-CG1 3.79Å; L23-I28 HydrophobicContact CD1-CG1 4.22Å; D24-I28 WeakPolarHBondContact O-CG1 3.48Å; D24-I28 PolarHBondContact O-N 2.96Å; F25-I28 PolarHBondContact O-N 3.4Å; I28-L31 PolarHBondContact O-N 3.16Å; I28-A32 WeakPolarHBondContact O-CB 3.45Å; I28-A32 PolarHBondContact O-N 2.94Å; I28-I104 HydrophobicContact CB-CD1 4.38Å; I28-I104 HydrophobicContact CG2-CD1 3.77Å; I28-I104 HydrophobicContact CG2-CG1 4.31Å; I28-I104 HydrophobicContact CG2-CG2 4.35Å; I28-L118 HydrophobicContact CG2-CD1 4.04Å; I28-L118 HydrophobicContact CG2-CD2 4.21Å
29F96.3Very high91.4Very high0 Ų055.5 Ų55.50%027%0.265CS..Hα-helixtrans-64.5-45.5176.8176.8-90.7000111.9F25 D26 E27 L31 A32 Q33 I58 K61 Q100 F103 I104F25-F29 PolarHBondContact O-N 2.99Å; D26-F29 PolarHBondContact O-N 2.71Å; E27-F29 VanDerWaalsContact C-N 3.29Å; E27-F29 PolarHBondContact O-N 2.73Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.68Å; F29-A32 WeakPolarHBondContact O-CB 3.41Å; F29-A32 PolarHBondContact O-N 3.13Å; F29-A32 VanDerWaalsContact O-N 3.12Å; F29-Q33 PolarHBondContact O-N 3.3Å; F29-I58 HydrophobicContact CZ-CG1 4.44Å; F29-K61 HydrophobicContact CD1-CD 4.1Å; F29-K61 HydrophobicContact CD1-CG 4.28Å; F29-K61 HydrophobicContact CE1-CB 4.27Å; F29-K61 HydrophobicContact CE1-CD 3.47Å; F29-K61 VanDerWaalsContact CE1-CD 3.47Å; F29-K61 HydrophobicContact CE1-CG 3.71Å; F29-K61 HydrophobicContact CE2-CG 4.49Å; F29-K61 HydrophobicContact CZ-CB 3.89Å; F29-K61 HydrophobicContact CZ-CD 4.01Å; F29-K61 HydrophobicContact CZ-CG 3.81Å; F29-Q100 HydrophobicContact CB-CB 4.47Å; F29-Q100 HydrophobicContact CB-CG 4.35Å; F29-Q100 HydrophobicContact CD1-CG 4.34Å; F29-Q100 HydrophobicContact CD2-CB 3.61Å; F29-Q100 HydrophobicContact CD2-CG 3.48Å; F29-Q100 VanDerWaalsContact CD2-CG 3.48Å; F29-Q100 HydrophobicContact CE2-CB 4.13Å; F29-Q100 HydrophobicContact CE2-CG 3.77Å; F29-Q100 HydrophobicContact CG-CB 4.17Å; F29-Q100 HydrophobicContact CG-CG 3.78Å; F29-Q100 HydrophobicContact CZ-CG 4.34Å; F29-F103 HydrophobicContact CD2-CB 4.31Å; F29-F103 AromaticContact CD2-CD1 3.99Å; F29-F103 HydrophobicContact CD2-CD1 3.99Å; F29-F103 HydrophobicContact CD2-CG 4.33Å; F29-F103 HydrophobicContact CE2-CB 3.8Å; F29-F103 AromaticContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD2 4.39Å; F29-F103 HydrophobicContact CE2-CE1 4.41Å; F29-F103 AromaticContact CE2-CG 3.71Å; F29-F103 HydrophobicContact CE2-CG 3.71Å; F29-I104 HydrophobicContact CB-CD1 4.11Å; F29-I104 HydrophobicContact CD2-CG1 4.5Å
30D95Very high90.6Very high73 Ų7347.2 Ų47.239%0.3923%0.23SC..Hα-helixtrans-64.4-37.1179.3-69.7-17.4000110.8D26 E27 Q33 T34 K61D26-D30 PolarHBondContact O-N 3.1Å; E27-D30 PolarHBondContact O-N 2.89Å; D30-Q33 PolarHBondContact O-N 3.4Å; D30-T34 WeakPolarHBondContact O-CB 3.38Å; D30-T34 PolarHBondContact O-N 3.35Å; D30-T34 PolarHBondContact O-OG1 3.36Å; D30-T34 VanDerWaalsContact O-OG1 3.05Å; D30-K61 IonicContact OD1-NZ 3.34Å; D30-K61 PolarHBondContact OD1-NZ 2.65Å
31L93.6Very high89.6Confident14 Ų1447.4 Ų47.47%0.07323%0.233CC..Hα-helixtrans-62.6-41.5170.4-73.2169.6000112.7L23 E27 I28 F29 Q33 T34 F35 Y117 L118 Y121L23-L31 HydrophobicContact CD1-CD1 3.88Å; E27-L31 HydrophobicContact CG-CD1 4.29Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.38Å; E27-L31 PolarHBondContact O-N 2.82Å; I28-L31 PolarHBondContact O-N 3.16Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.68Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-T34 PolarHBondContact O-N 3.14Å; L31-F35 VanDerWaalsContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CB 3.2Å; L31-F35 PolarHBondContact O-N 2.79Å; L31-Y117 HydrophobicContact CB-CE1 4.19Å; L31-Y117 HydrophobicContact CD2-CE1 4.08Å; L31-L118 HydrophobicContact CB-CD2 3.95Å; L31-L118 HydrophobicContact CD1-CD2 3.81Å; L31-Y121 HydrophobicContact CD1-CD1 3.46Å; L31-Y121 VanDerWaalsContact CD1-CD1 3.46Å; L31-Y121 HydrophobicContact CD1-CD2 4.35Å; L31-Y121 HydrophobicContact CD1-CE1 3.7Å; L31-Y121 HydrophobicContact CD1-CG 3.81Å; L31-Y121 HydrophobicContact CD2-CD1 4.24Å; L31-Y121 HydrophobicContact CD2-CD2 3.64Å; L31-Y121 HydrophobicContact CD2-CE1 4.26Å; L31-Y121 HydrophobicContact CD2-CE2 3.66Å; L31-Y121 HydrophobicContact CD2-CG 3.94Å; L31-Y121 HydrophobicContact CG-CD1 4.48Å; L31-Y121 HydrophobicContact CG-CE1 4.49Å
32A94.6Very high88.5Confident0 Ų055.8 Ų55.80%027%0.269CS..Hα-helixtrans-63.2-41.3175.400000111.6I28 F29 F35 F36 F103 I104 F114I28-A32 WeakPolarHBondContact O-CB 3.45Å; I28-A32 PolarHBondContact O-N 2.94Å; F29-A32 WeakPolarHBondContact O-CB 3.41Å; F29-A32 PolarHBondContact O-N 3.13Å; F29-A32 VanDerWaalsContact O-N 3.12Å; A32-F35 PolarHBondContact O-N 3.26Å; A32-F36 WeakPolarHBondContact O-CB 3.44Å; A32-F36 PolarHBondContact O-N 3.23Å; A32-F103 HydrophobicContact CB-CD1 3.92Å; A32-F103 HydrophobicContact CB-CE1 3.6Å; A32-I104 HydrophobicContact CB-CG1 4.15Å; A32-F114 VanDerWaalsContact CA-CE2 3.42Å; A32-F114 HydrophobicContact CB-CE1 3.9Å; A32-F114 HydrophobicContact CB-CE2 3.94Å; A32-F114 HydrophobicContact CB-CZ 3.34Å
33Q93.6Very high87.1Confident47 Ų4748.6 Ų48.622%0.2225%0.246CC..Hα-helixtrans-67.2-44.2177.9-176.3174.5-15.300111.4F29 D30 L31 F36 N37 I58F29-Q33 PolarHBondContact O-N 3.3Å; D30-Q33 PolarHBondContact O-N 3.4Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-F36 PolarHBondContact O-N 3.33Å; Q33-N37 WeakPolarHBondContact O-CB 3.44Å; Q33-N37 PolarHBondContact O-N 3.46Å; Q33-N37 PolarHBondContact O-ND2 3.44Å; Q33-I58 HydrophobicContact CG-CD1 4.06Å; Q33-I58 HydrophobicContact CG-CG1 4.46Å
34T91Very high86.1Confident54 Ų5449.5 Ų49.533%0.33125%0.249SC..Hα-helixtrans-59.9-47.3173.8-630000111.1D30 L31 F36 N37 E38D30-T34 WeakPolarHBondContact O-CB 3.38Å; D30-T34 PolarHBondContact O-N 3.35Å; D30-T34 PolarHBondContact O-OG1 3.36Å; D30-T34 VanDerWaalsContact O-OG1 3.05Å; L31-T34 PolarHBondContact O-N 3.14Å; T34-F36 PolarHBondContact O-N 3.48Å; T34-N37 PolarHBondContact O-N 3.37Å; T34-E38 HydrophobicContact CG2-CG 4.36Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.46Å; T34-E38 WeakPolarHBondContact O-CB 3.27Å; T34-E38 WeakPolarHBondContact O-CG 3.32Å; T34-E38 PolarHBondContact O-N 3.31Å
35F88.9Confident85.2Confident0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-58.1-46.8176.2-178.9-90.4000112L31 A32 K39 F44 I107 C111 L113 F114 Y117 W482L31-F35 VanDerWaalsContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CB 3.2Å; L31-F35 PolarHBondContact O-N 2.79Å; A32-F35 PolarHBondContact O-N 3.26Å; F35-K39 HydrophobicContact CD2-CG 4.02Å; F35-K39 HydrophobicContact CE2-CB 4.41Å; F35-K39 HydrophobicContact CE2-CG 4.13Å; F35-K39 HydrophobicContact CG-CG 4.42Å; F35-K39 HydrophobicContact CZ-CB 4.38Å; F35-K39 WeakPolarHBondContact O-CB 3.48Å; F35-K39 WeakPolarHBondContact O-CG 3.27Å; F35-K39 PolarHBondContact O-N 3.25Å; F35-F44 HydrophobicContact CD1-CE1 4.49Å; F35-F44 AromaticContact CE1-CE1 3.69Å; F35-F44 HydrophobicContact CE1-CE1 3.69Å; F35-F44 HydrophobicContact CE1-CZ 4.17Å; F35-F44 HydrophobicContact CZ-CE1 4.32Å; F35-I107 HydrophobicContact CD1-CG2 4.2Å; F35-C111 HydrophobicContact CE1-CB 4.06Å; F35-L113 HydrophobicContact CZ-CB 4.4Å; F35-F114 HydrophobicContact CB-CD2 3.77Å; F35-F114 HydrophobicContact CB-CE2 3.97Å; F35-F114 HydrophobicContact CD1-CB 4.07Å; F35-F114 AromaticContact CD1-CD2 3.78Å; F35-F114 HydrophobicContact CD1-CD2 3.78Å; F35-F114 HydrophobicContact CD1-CG 4.22Å; F35-F114 AromaticContact CD2-CD2 3.94Å; F35-F114 HydrophobicContact CD2-CD2 3.94Å; F35-F114 HydrophobicContact CE1-CB 3.82Å; F35-F114 HydrophobicContact CE1-CD2 4.36Å; F35-F114 HydrophobicContact CE1-CG 4.47Å; F35-F114 HydrophobicContact CE2-CB 4.42Å; F35-F114 HydrophobicContact CE2-CD2 4.47Å; F35-F114 HydrophobicContact CG-CB 4.49Å; F35-F114 AromaticContact CG-CD2 3.55Å; F35-F114 HydrophobicContact CG-CD2 3.55Å; F35-F114 HydrophobicContact CG-CE2 4.27Å; F35-F114 HydrophobicContact CG-CG 4.41Å; F35-F114 HydrophobicContact CZ-CB 4.01Å; F35-Y117 HydrophobicContact CB-CD1 4.24Å; F35-Y117 HydrophobicContact CB-CE1 4.15Å; F35-Y117 AromaticContact CD2-CD1 3.87Å; F35-Y117 HydrophobicContact CD2-CD1 3.87Å; F35-Y117 HydrophobicContact CD2-CD2 4.18Å; F35-Y117 HydrophobicContact CD2-CE1 4.39Å; F35-Y117 AromaticContact CD2-CG 3.75Å; F35-Y117 HydrophobicContact CD2-CG 3.75Å; F35-Y117 HydrophobicContact CE2-CG 4.27Å; F35-Y117 HydrophobicContact CG-CD1 4.41Å; F35-W482 HydrophobicContact CD2-CH2 4.3Å; F35-W482 HydrophobicContact CD2-CZ3 4.36Å; F35-W482 AromaticContact CE2-CH2 3.51Å; F35-W482 HydrophobicContact CE2-CH2 3.51Å; F35-W482 AromaticContact CE2-CZ2 3.71Å; F35-W482 HydrophobicContact CE2-CZ2 3.71Å; F35-W482 AromaticContact CE2-CZ3 3.97Å; F35-W482 HydrophobicContact CE2-CZ3 3.97Å; F35-W482 HydrophobicContact CZ-CH2 4.27Å; F35-W482 HydrophobicContact CZ-CZ2 4.29Å
36F89.3Confident84.6Confident17 Ų1755.1 Ų55.18%0.07527%0.273CS..Hα-helixtrans-58.9-50176.3174.3-113.6000111.4A32 Q33 T34 E38 A40 L46 R51 L54 I58 F103 I107A32-F36 WeakPolarHBondContact O-CB 3.44Å; A32-F36 PolarHBondContact O-N 3.23Å; Q33-F36 PolarHBondContact O-N 3.33Å; T34-F36 PolarHBondContact O-N 3.48Å; F36-E38 PolarHBondContact O-N 3.18Å; F36-A40 HydrophobicContact CD2-CB 3.86Å; F36-A40 HydrophobicContact CE2-CB 3.91Å; F36-A40 WeakPolarHBondContact O-CB 3.34Å; F36-A40 PolarHBondContact O-N 3.45Å; F36-A40 VanDerWaalsContact O-N 3.08Å; F36-L46 HydrophobicContact CD2-CD2 4.23Å; F36-L46 HydrophobicContact CE2-CD1 4.23Å; F36-L46 HydrophobicContact CE2-CD2 3.68Å; F36-R51 HydrophobicContact CZ-CG 4.15Å; F36-L54 HydrophobicContact CD2-CD1 3.97Å; F36-L54 HydrophobicContact CE2-CB 4.35Å; F36-L54 HydrophobicContact CE2-CD1 3.74Å; F36-L54 HydrophobicContact CZ-CB 4.16Å; F36-L54 HydrophobicContact CZ-CD1 4.36Å; F36-I58 HydrophobicContact CD1-CD1 4.07Å; F36-I58 HydrophobicContact CE1-CD1 4.22Å; F36-F103 HydrophobicContact CB-CZ 4.09Å; F36-F103 HydrophobicContact CD1-CZ 4.34Å; F36-F103 HydrophobicContact CG-CZ 4.3Å; F36-I107 HydrophobicContact CB-CD1 4.01Å; F36-I107 HydrophobicContact CD2-CD1 3.9Å; F36-I107 HydrophobicContact CG-CD1 4.22Å
37N87.4Confident84.3Confident105 Ų10555 Ų5556%0.56128%0.277SS*.Hα-helixtrans-65.6-38.7-176.8-67.8-21.8000113.1Q33 T34Q33-N37 WeakPolarHBondContact O-CB 3.44Å; Q33-N37 PolarHBondContact O-N 3.46Å; Q33-N37 PolarHBondContact O-ND2 3.44Å; T34-N37 PolarHBondContact O-N 3.37Å
38E84.6Confident84Confident102 Ų10257.3 Ų57.348%0.47729%0.287SS..Hα-helixtrans-85.1-28-176.1-68.2-178.1-174.600113.8T34 F36T34-E38 HydrophobicContact CG2-CG 4.36Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.46Å; T34-E38 WeakPolarHBondContact O-CB 3.27Å; T34-E38 WeakPolarHBondContact O-CG 3.32Å; T34-E38 PolarHBondContact O-N 3.31Å; F36-E38 PolarHBondContact O-N 3.18Å
39K80.5Confident83.8Confident54 Ų5462.8 Ų62.824%0.23532%0.316CS..Hα-helixtrans-117.9-16-164.8-48.3-63.2167.9168.70114.5F35 E41 K42 A43 F44 W482F35-K39 HydrophobicContact CD2-CG 4.02Å; F35-K39 HydrophobicContact CE2-CB 4.41Å; F35-K39 HydrophobicContact CE2-CG 4.13Å; F35-K39 HydrophobicContact CG-CG 4.42Å; F35-K39 HydrophobicContact CZ-CB 4.38Å; F35-K39 WeakPolarHBondContact O-CB 3.48Å; F35-K39 WeakPolarHBondContact O-CG 3.27Å; F35-K39 PolarHBondContact O-N 3.25Å; K39-E41 PolarHBondContact O-N 3.09Å; K39-K42 PolarHBondContact O-N 3.43Å; K39-K42 VanDerWaalsContact O-N 3.08Å; K39-A43 HydrophobicContact CB-CB 3.9Å; K39-A43 PolarHBondContact O-N 3.45Å; K39-F44 HydrophobicContact CB-CE1 4.46Å; K39-W482 HydrophobicContact CD-CH2 3.88Å; K39-W482 HydrophobicContact CD-CZ3 3.82Å; K39-W482 HydrophobicContact CG-CH2 3.94Å; K39-W482 HydrophobicContact CG-CZ3 4.05Å
40A72.9Confident83.6Confident6 Ų663.8 Ų63.85%0.0532%0.321CS..THydrogen-bonded Turntrans-60-11.9-179.500000115.7F36 F44 L46F36-A40 HydrophobicContact CD2-CB 3.86Å; F36-A40 HydrophobicContact CE2-CB 3.91Å; F36-A40 WeakPolarHBondContact O-CB 3.34Å; F36-A40 PolarHBondContact O-N 3.45Å; F36-A40 VanDerWaalsContact O-N 3.08Å; A40-F44 CarbonylContact C-O 3.46Å; A40-L46 HydrophobicContact CB-CD1 3.47Å; A40-L46 VanDerWaalsContact CB-CD1 3.47Å
41E69.4Low83.5Confident136 Ų13663.7 Ų63.764%0.63632%0.316SS*.THydrogen-bonded Turntrans-118.1-13.2175.5-60.3-167.9165.300113.5K39 R51K39-E41 PolarHBondContact O-N 3.09Å; E41-R51 IonicContact OE1-CZ 3.09Å; E41-R51 IonicContact OE1-NH1 2.82Å; E41-R51 PolarHBondContact OE1-NH1 2.95Å; E41-R51 IonicContact OE1-NH2 3.26Å; E41-R51 PolarHBondContact OE1-NH2 3.01Å
42K67.6Low83.5Confident185 Ų18563.6 Ų63.680%0.80432%0.315SS*.THydrogen-bonded Turntrans-108-38.6-174.9-63.8-177.1179.8-179.60113K39K39-K42 PolarHBondContact O-N 3.43Å; K39-K42 VanDerWaalsContact O-N 3.08Å
43A61.9Low83.5Confident42 Ų4264.3 Ų64.335%0.34732%0.318SS..THydrogen-bonded Turntrans-102.5-25-172.400000113.6K39K39-A43 HydrophobicContact CB-CB 3.9Å; K39-A43 PolarHBondContact O-N 3.45Å
44F69.5Low83.6Confident30 Ų3062 Ų6213%0.13231%0.308CS..  trans-160.9157.8179.465.4-70.5000110.5F35 K39 A40 L46 C111F35-F44 HydrophobicContact CD1-CE1 4.49Å; F35-F44 AromaticContact CE1-CE1 3.69Å; F35-F44 HydrophobicContact CE1-CE1 3.69Å; F35-F44 HydrophobicContact CE1-CZ 4.17Å; F35-F44 HydrophobicContact CZ-CE1 4.32Å; K39-F44 HydrophobicContact CB-CE1 4.46Å; A40-F44 CarbonylContact C-O 3.46Å; F44-L46 HydrophobicContact CD2-CD1 3.64Å; F44-L46 HydrophobicContact CD2-CG 4.01Å; F44-L46 HydrophobicContact CE1-CD1 4.37Å; F44-L46 HydrophobicContact CE2-CD1 3.08Å; F44-L46 HydrophobicContact CE2-CD2 4.14Å; F44-L46 HydrophobicContact CE2-CG 3.44Å; F44-L46 VanDerWaalsContact CE2-CG 3.44Å; F44-L46 HydrophobicContact CG-CD1 4.49Å; F44-L46 HydrophobicContact CZ-CD1 3.5Å; F44-L46 HydrophobicContact CZ-CG 4.23Å; F44-C111 HydrophobicContact CD1-CB 3.99Å; F44-C111 WeakPolarHBondContact CD1-SG 3.43Å; F44-C111 HydrophobicContact CD2-CB 3.85Å; F44-C111 HydrophobicContact CE1-CB 3.78Å; F44-C111 HydrophobicContact CE2-CB 3.58Å; F44-C111 HydrophobicContact CG-CB 4.05Å; F44-C111 HydrophobicContact CZ-CB 3.57Å
45H75Confident83.8Confident176 Ų17660.7 Ų60.782%0.81530%0.301SS*.PPolyproline II helixtrans-100.3119.9173.6-65.2-64000110
46L82.7Confident84.1Confident20 Ų2060.7 Ų60.711%0.10530%0.301CS..PPolyproline II helixtrans-82.4147167.6-69.189.6000110.8F36 A40 F44 D50 R51 L54 L110F36-L46 HydrophobicContact CD2-CD2 4.23Å; F36-L46 HydrophobicContact CE2-CD1 4.23Å; F36-L46 HydrophobicContact CE2-CD2 3.68Å; A40-L46 HydrophobicContact CB-CD1 3.47Å; A40-L46 VanDerWaalsContact CB-CD1 3.47Å; F44-L46 HydrophobicContact CD2-CD1 3.64Å; F44-L46 HydrophobicContact CD2-CG 4.01Å; F44-L46 HydrophobicContact CE1-CD1 4.37Å; F44-L46 HydrophobicContact CE2-CD1 3.08Å; F44-L46 HydrophobicContact CE2-CD2 4.14Å; F44-L46 HydrophobicContact CE2-CG 3.44Å; F44-L46 VanDerWaalsContact CE2-CG 3.44Å; F44-L46 HydrophobicContact CG-CD1 4.49Å; F44-L46 HydrophobicContact CZ-CD1 3.5Å; F44-L46 HydrophobicContact CZ-CG 4.23Å; L46-D50 HydrophobicContact CB-CB 4.39Å; L46-D50 HydrophobicContact CD2-CB 4.18Å; L46-R51 HydrophobicContact CB-CB 4.48Å; L46-L54 HydrophobicContact CD2-CD1 3.32Å; L46-L110 HydrophobicContact CD2-CD1 4.06Å
47S86.6Confident84.5Confident56 Ų5659.9 Ų59.939%0.39230%0.297SS..PPolyproline II helixtrans-58.8152.4163.481.40000109.9D49 D50 R51S47-D49 PolarHBondContact O-N 3.12Å; S47-D50 PolarHBondContact O-N 3.11Å; S47-D50 VanDerWaalsContact OG-CB 3.31Å; S47-D50 WeakPolarHBondContact OG-CB 3.26Å; S47-D50 PolarHBondContact OG-N 3.28Å; S47-D50 PolarHBondContact OG-OD2 3.34Å; S47-R51 PolarHBondContact O-N 3.04Å
48F87.6Confident84.8Confident86 Ų8656 Ų5638%0.37728%0.276SS..Hα-helixtrans-55.9-43.4175.8179.7-86.4000111R51 I52 I80 K83F48-R51 PolarHBondContact O-N 3.47Å; F48-I52 HydrophobicContact CD1-CG1 4.05Å; F48-I52 HydrophobicContact CE1-CD1 4.13Å; F48-I52 HydrophobicContact CE1-CG1 3.45Å; F48-I52 VanDerWaalsContact CE1-CG1 3.45Å; F48-I52 HydrophobicContact CE2-CG1 4.43Å; F48-I52 HydrophobicContact CZ-CD1 3.84Å; F48-I52 HydrophobicContact CZ-CG1 3.67Å; F48-I52 VanDerWaalsContact O-CG1 3.31Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.49Å; F48-I80 HydrophobicContact CE2-CG1 4.32Å; F48-K83 HydrophobicContact CD1-CD 4.49Å; F48-K83 HydrophobicContact CE1-CD 3.28Å; F48-K83 HydrophobicContact CZ-CD 3.57Å
49D92.6Very high85.2Confident116 Ų11651.8 Ų51.862%0.6226%0.257SS*.Hα-helixtrans-67.9-38.6-178.6-66.6-28.4000112.5S47 I52 H53S47-D49 PolarHBondContact O-N 3.12Å; D49-I52 PolarHBondContact O-N 3.26Å; D49-H53 VanDerWaalsContact O-CB 3.3Å; D49-H53 WeakPolarHBondContact O-CB 3.25Å; D49-H53 PolarHBondContact O-N 3.5Å
50D92.6Very high85.9Confident21 Ų2149.2 Ų49.211%0.11225%0.247CC..Hα-helixtrans-63.7-43.6174.8-74.6-49.9000111.9L46 S47 I52 H53 L54 R106 L110L46-D50 HydrophobicContact CB-CB 4.39Å; L46-D50 HydrophobicContact CD2-CB 4.18Å; S47-D50 PolarHBondContact O-N 3.11Å; S47-D50 VanDerWaalsContact OG-CB 3.31Å; S47-D50 WeakPolarHBondContact OG-CB 3.26Å; S47-D50 PolarHBondContact OG-N 3.28Å; S47-D50 PolarHBondContact OG-OD2 3.34Å; D50-I52 VanDerWaalsContact C-N 3.33Å; D50-I52 PolarHBondContact O-N 3.01Å; D50-H53 PolarHBondContact O-N 3.48Å; D50-L54 WeakPolarHBondContact O-CB 3.32Å; D50-L54 VanDerWaalsContact O-CG 3.31Å; D50-L54 WeakPolarHBondContact O-CG 3.46Å; D50-L54 PolarHBondContact O-N 3.4Å; D50-R106 IonicContact OD1-CZ 3.45Å; D50-R106 VanDerWaalsContact OD1-CZ 3.26Å; D50-R106 IonicContact OD1-NE 2.78Å; D50-R106 PolarHBondContact OD1-NE 3.45Å; D50-R106 IonicContact OD1-NH2 2.99Å; D50-R106 PolarHBondContact OD1-NH2 3.1Å; D50-L110 HydrophobicContact CB-CD1 3.68Å; D50-L110 HydrophobicContact CB-CD2 4.49Å; D50-L110 WeakPolarHBondContact OD2-CD2 3.43Å
51R91.4Very high86.9Confident71 Ų7152 Ų5227%0.26826%0.257SS..Hα-helixtrans-59.9-45.1176.6-176.4-174.3-68.6-128.21.1111.1F36 E41 L46 S47 F48 S55F36-R51 HydrophobicContact CZ-CG 4.15Å; E41-R51 IonicContact OE1-CZ 3.09Å; E41-R51 IonicContact OE1-NH1 2.82Å; E41-R51 PolarHBondContact OE1-NH1 2.95Å; E41-R51 IonicContact OE1-NH2 3.26Å; E41-R51 PolarHBondContact OE1-NH2 3.01Å; L46-R51 HydrophobicContact CB-CB 4.48Å; S47-R51 PolarHBondContact O-N 3.04Å; F48-R51 PolarHBondContact O-N 3.47Å; R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.33Å; R51-S55 PolarHBondContact O-N 2.78Å
52I93.4Very high88Confident11 Ų1152 Ų526%0.05626%0.256CS..Hα-helixtrans-62.9-45.1177-70.2-59000111.2F48 D49 D50 S55 A56 I80 K83 R87F48-I52 HydrophobicContact CD1-CG1 4.05Å; F48-I52 HydrophobicContact CE1-CD1 4.13Å; F48-I52 HydrophobicContact CE1-CG1 3.45Å; F48-I52 VanDerWaalsContact CE1-CG1 3.45Å; F48-I52 HydrophobicContact CE2-CG1 4.43Å; F48-I52 HydrophobicContact CZ-CD1 3.84Å; F48-I52 HydrophobicContact CZ-CG1 3.67Å; F48-I52 VanDerWaalsContact O-CG1 3.31Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.49Å; D49-I52 PolarHBondContact O-N 3.26Å; D50-I52 VanDerWaalsContact C-N 3.33Å; D50-I52 PolarHBondContact O-N 3.01Å; I52-S55 PolarHBondContact O-N 2.63Å; I52-A56 WeakPolarHBondContact O-CB 3.35Å; I52-A56 PolarHBondContact O-N 2.93Å; I52-I80 HydrophobicContact CD1-CB 4.31Å; I52-I80 HydrophobicContact CD1-CG2 3.72Å; I52-I80 WeakPolarHBondContact CD1-O 3.49Å; I52-K83 HydrophobicContact CD1-CB 3.95Å; I52-K83 HydrophobicContact CG1-CB 4.18Å; I52-K83 HydrophobicContact CG2-CB 4.14Å; I52-K83 WeakPolarHBondContact CG2-O 3.25Å; I52-R87 HydrophobicContact CG2-CB 3.91Å; I52-R87 HydrophobicContact CG2-CG 4.38Å
53H96Very high89.1Confident15 Ų1550 Ų507%0.06924%0.244CC..Hα-helixtrans-65-47.4-179.3178.148.5000112.3D49 D50 S55 A56 L57 R87 E102D49-H53 VanDerWaalsContact O-CB 3.3Å; D49-H53 WeakPolarHBondContact O-CB 3.25Å; D49-H53 PolarHBondContact O-N 3.5Å; D50-H53 PolarHBondContact O-N 3.48Å; H53-S55 VanDerWaalsContact C-N 3.31Å; H53-S55 PolarHBondContact O-N 2.94Å; H53-A56 WeakPolarHBondContact O-CB 3.45Å; H53-A56 PolarHBondContact O-N 3.36Å; H53-A56 VanDerWaalsContact O-N 3.13Å; H53-L57 WeakPolarHBondContact O-CG 3.28Å; H53-L57 PolarHBondContact O-N 2.78Å; H53-R87 PolarHBondContact ND1-NE 2.94Å; H53-E102 IonicContact CE1-OE1 2.96Å; H53-E102 PolarHBondContact CE1-OE1 2.75Å; H53-E102 VanDerWaalsContact CE1-OE1 3.26Å; H53-E102 IonicContact CE1-OE2 2.67Å; H53-E102 IonicContact NE2-OE1 3.04Å; H53-E102 PolarHBondContact NE2-OE1 2.89Å; H53-E102 VanDerWaalsContact NE2-OE1 3.09Å
54L95.3Very high90.5Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-59.9-40.8174.5-71.8168.5000112F36 L46 D50 A56 L57 I58 F103 R106 I107 L110F36-L54 HydrophobicContact CD2-CD1 3.97Å; F36-L54 HydrophobicContact CE2-CB 4.35Å; F36-L54 HydrophobicContact CE2-CD1 3.74Å; F36-L54 HydrophobicContact CZ-CB 4.16Å; F36-L54 HydrophobicContact CZ-CD1 4.36Å; L46-L54 HydrophobicContact CD2-CD1 3.32Å; D50-L54 WeakPolarHBondContact O-CB 3.32Å; D50-L54 VanDerWaalsContact O-CG 3.31Å; D50-L54 WeakPolarHBondContact O-CG 3.46Å; D50-L54 PolarHBondContact O-N 3.4Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 2.79Å; L54-L57 PolarHBondContact O-N 3.38Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.88Å; L54-I58 VanDerWaalsContact O-N 3.07Å; L54-F103 HydrophobicContact CB-CD2 4.21Å; L54-F103 HydrophobicContact CB-CE2 3.83Å; L54-F103 HydrophobicContact CD2-CD2 3.56Å; L54-F103 HydrophobicContact CD2-CE2 3.71Å; L54-F103 HydrophobicContact CD2-CG 4.17Å; L54-F103 HydrophobicContact CD2-CZ 4.42Å; L54-F103 HydrophobicContact CG-CE2 4.34Å; L54-R106 HydrophobicContact CD2-CB 3.96Å; L54-R106 HydrophobicContact CD2-CG 3.98Å; L54-R106 HydrophobicContact CG-CG 4.46Å; L54-I107 HydrophobicContact CD1-CD1 3.54Å; L54-I107 HydrophobicContact CD1-CG1 4.44Å; L54-I107 HydrophobicContact CD2-CD1 3.9Å; L54-I107 HydrophobicContact CD2-CG1 3.9Å; L54-I107 HydrophobicContact CG-CD1 4.35Å; L54-L110 HydrophobicContact CD1-CD1 4.05Å
55S93.8Very high91.6Very high26 Ų2653 Ų5318%0.18225%0.254CS..Hα-helixtrans-64.4-37.2175.9-165.90000112.4R51 I52 H53 I58 C59 R84R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.33Å; R51-S55 PolarHBondContact O-N 2.78Å; I52-S55 PolarHBondContact O-N 2.63Å; H53-S55 VanDerWaalsContact C-N 3.31Å; H53-S55 PolarHBondContact O-N 2.94Å; S55-I58 PolarHBondContact O-N 2.82Å; S55-C59 PolarHBondContact O-N 2.81Å; S55-R84 WeakPolarHBondContact OG-CD 3.24Å
56A95.8Very high92.4Very high0 Ų046.4 Ų46.40%022%0.222CC..Hα-helixtrans-66.1-40.1174.100000112I52 H53 L54 I58 C59 I60 R84 R87 W88 L91I52-A56 WeakPolarHBondContact O-CB 3.35Å; I52-A56 PolarHBondContact O-N 2.93Å; H53-A56 WeakPolarHBondContact O-CB 3.45Å; H53-A56 PolarHBondContact O-N 3.36Å; H53-A56 VanDerWaalsContact O-N 3.13Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 2.79Å; A56-I58 PolarHBondContact O-N 2.8Å; A56-C59 WeakPolarHBondContact O-CB 3.16Å; A56-C59 PolarHBondContact O-N 3.33Å; A56-C59 VanDerWaalsContact O-N 3.13Å; A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 2.84Å; A56-R84 HydrophobicContact CB-CG 4.31Å; A56-R87 HydrophobicContact CB-CB 4.1Å; A56-R87 HydrophobicContact CB-CG 3.93Å; A56-W88 HydrophobicContact CB-CB 4.08Å; A56-L91 HydrophobicContact CB-CD1 4.43Å
57L97Very high92.7Very high0 Ų048.2 Ų48.20%023%0.232CC..Hα-helixtrans-62.2-40175.5-66.4172.7000112.3H53 L54 C59 I60 K61 L91 M94 A99 E102 F103H53-L57 WeakPolarHBondContact O-CG 3.28Å; H53-L57 PolarHBondContact O-N 2.78Å; L54-L57 PolarHBondContact O-N 3.38Å; L57-C59 VanDerWaalsContact C-N 3.3Å; L57-C59 PolarHBondContact O-N 3.15Å; L57-I60 HydrophobicContact CD2-CD1 4.29Å; L57-I60 PolarHBondContact O-N 2.82Å; L57-K61 PolarHBondContact O-N 2.8Å; L57-L91 HydrophobicContact CD2-CD1 4.17Å; L57-M94 HydrophobicContact CD2-SD 3.54Å; L57-M94 VanDerWaalsContact CD2-SD 3.54Å; L57-A99 HydrophobicContact CD2-CB 3.94Å; L57-E102 HydrophobicContact CD1-CB 4.23Å; L57-E102 HydrophobicContact CD1-CG 4Å; L57-E102 HydrophobicContact CD2-CB 4.37Å; L57-E102 HydrophobicContact CD2-CG 4.48Å; L57-E102 WeakPolarHBondContact CD2-OE2 3.47Å; L57-F103 HydrophobicContact CB-CB 4.25Å; L57-F103 HydrophobicContact CB-CD2 4.02Å; L57-F103 HydrophobicContact CD1-CB 4.06Å; L57-F103 HydrophobicContact CD1-CD2 4.41Å
58I94.5Very high92.7Very high22 Ų2253.5 Ų53.511%0.11324%0.243CC..Hα-helixtrans-59.7-41.7172.7-66.7166.4000110.8F29 Q33 F36 L54 S55 A56 K61 K62 F103F29-I58 HydrophobicContact CZ-CG1 4.44Å; Q33-I58 HydrophobicContact CG-CD1 4.06Å; Q33-I58 HydrophobicContact CG-CG1 4.46Å; F36-I58 HydrophobicContact CD1-CD1 4.07Å; F36-I58 HydrophobicContact CE1-CD1 4.22Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.88Å; L54-I58 VanDerWaalsContact O-N 3.07Å; S55-I58 PolarHBondContact O-N 2.82Å; A56-I58 PolarHBondContact O-N 2.8Å; I58-K61 PolarHBondContact O-N 3.22Å; I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 PolarHBondContact O-N 3.05Å; I58-F103 HydrophobicContact CD1-CE2 3.67Å; I58-F103 HydrophobicContact CD1-CZ 4.03Å; I58-F103 HydrophobicContact CG1-CD2 4.07Å; I58-F103 HydrophobicContact CG1-CE2 3.53Å; I58-F103 HydrophobicContact CG1-CZ 4.12Å
59C93.6Very high92.7Very high14 Ų1453.8 Ų53.810%0.09526%0.262CS..Hα-helixtrans-63.1-40.9175.2-73.70000112.4S55 A56 L57 K62 Y63 W88S55-C59 PolarHBondContact O-N 2.81Å; A56-C59 WeakPolarHBondContact O-CB 3.16Å; A56-C59 PolarHBondContact O-N 3.33Å; A56-C59 VanDerWaalsContact O-N 3.13Å; L57-C59 VanDerWaalsContact C-N 3.3Å; L57-C59 PolarHBondContact O-N 3.15Å; C59-K62 PolarHBondContact O-N 2.91Å; C59-Y63 HydrophobicContact CB-CD2 4.4Å; C59-Y63 WeakPolarHBondContact O-CB 3.23Å; C59-Y63 PolarHBondContact O-N 2.71Å; C59-W88 HydrophobicContact CB-CD2 3.62Å; C59-W88 HydrophobicContact CB-CE3 3.46Å; C59-W88 VanDerWaalsContact CB-CE3 3.46Å; C59-W88 HydrophobicContact CB-CG 4.36Å; C59-W88 HydrophobicContact CB-CH2 3.89Å; C59-W88 HydrophobicContact CB-CZ2 4.02Å; C59-W88 HydrophobicContact CB-CZ3 3.61Å
60I95.2Very high92.3Very high1 Ų156.4 Ų56.41%0.00527%0.267CS..Hα-helixtrans-62.7-45.3176.2-64163.4000111A56 L57 K62 G64 W88 L91 M94 A99A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 2.84Å; L57-I60 HydrophobicContact CD2-CD1 4.29Å; L57-I60 PolarHBondContact O-N 2.82Å; I60-K62 VanDerWaalsContact C-N 3.29Å; I60-K62 PolarHBondContact O-N 3.43Å; I60-G64 WeakPolarHBondContact O-CA 3.44Å; I60-G64 PolarHBondContact O-N 3.32Å; I60-W88 HydrophobicContact CG1-CG 4.23Å; I60-W88 VanDerWaalsContact CG1-NE1 3.29Å; I60-L91 HydrophobicContact CD1-CB 3.62Å; I60-L91 HydrophobicContact CD1-CD1 3.79Å; I60-L91 HydrophobicContact CD1-CG 4.36Å; I60-M94 HydrophobicContact CD1-CB 4.38Å; I60-M94 HydrophobicContact CD1-SD 4.05Å; I60-M94 HydrophobicContact CG2-CG 4.49Å; I60-A99 HydrophobicContact CB-CB 3.87Å; I60-A99 HydrophobicContact CG2-CB 3.59Å
61K93.8Very high91.9Very high63 Ų6356.4 Ų56.427%0.27427%0.268SS..Hα-helixtrans-57.6-42.5175.1-178.3-99.5-171.2146.60112F29 D30 L57 I58 Q100F29-K61 HydrophobicContact CD1-CD 4.1Å; F29-K61 HydrophobicContact CD1-CG 4.28Å; F29-K61 HydrophobicContact CE1-CB 4.27Å; F29-K61 HydrophobicContact CE1-CD 3.47Å; F29-K61 VanDerWaalsContact CE1-CD 3.47Å; F29-K61 HydrophobicContact CE1-CG 3.71Å; F29-K61 HydrophobicContact CE2-CG 4.49Å; F29-K61 HydrophobicContact CZ-CB 3.89Å; F29-K61 HydrophobicContact CZ-CD 4.01Å; F29-K61 HydrophobicContact CZ-CG 3.81Å; D30-K61 IonicContact OD1-NZ 3.34Å; D30-K61 PolarHBondContact OD1-NZ 2.65Å; L57-K61 PolarHBondContact O-N 2.8Å; I58-K61 PolarHBondContact O-N 3.22Å; K61-Q100 HydrophobicContact CB-CG 4.26Å; K61-Q100 HydrophobicContact CG-CG 3.72Å
62K91.7Very high91.4Very high138 Ų13858.2 Ų58.260%0.629%0.289SS*.Hα-helixtrans-82.2-36.5-172.5-169.6172.6177.8-172.70113.9I58 C59 I60I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 PolarHBondContact O-N 3.05Å; C59-K62 PolarHBondContact O-N 2.91Å; I60-K62 VanDerWaalsContact C-N 3.29Å; I60-K62 PolarHBondContact O-N 3.43Å
63Y91.5Very high90.8Very high142 Ų14263.9 Ų63.956%0.55732%0.324SS*.Hα-helixtrans-125.7-8.1-169.1-53.3-64.9000113.8C59 W88C59-Y63 HydrophobicContact CB-CD2 4.4Å; C59-Y63 WeakPolarHBondContact O-CB 3.23Å; C59-Y63 PolarHBondContact O-N 2.71Å; Y63-W88 AromaticContact CD2-CH2 3.68Å; Y63-W88 HydrophobicContact CD2-CH2 3.68Å; Y63-W88 HydrophobicContact CD2-CZ2 4.36Å; Y63-W88 HydrophobicContact CD2-CZ3 4.35Å; Y63-W88 HydrophobicContact CG-CH2 4.05Å
64G91.9Very high90.1Very high17 Ų1764.4 Ų64.418%0.17533%0.328CS..  trans76.9-143-176.500000112.9I60 W88I60-G64 WeakPolarHBondContact O-CA 3.44Å; I60-G64 PolarHBondContact O-N 3.32Å; G64-W88 VanDerWaalsContact O-CZ2 3.32Å; G64-W88 WeakPolarHBondContact O-CZ2 3.29Å; G64-W88 PolarHBondContact O-NE1 3.49Å
65K91.6Very high89.4Confident117 Ų11766.6 Ų66.651%0.50935%0.351SS..SBendtrans-59.6143.1179-177.1173.3-170.7110.60110.8D67 S92 D93K65-D67 PolarHBondContact O-N 3.35Å; K65-D67 VanDerWaalsContact O-N 3.16Å; K65-S92 VanDerWaalsContact CD-O 3.3Å; K65-S92 WeakPolarHBondContact CD-O 3.03Å; K65-S92 WeakPolarHBondContact CE-O 3.2Å; K65-S92 VanDerWaalsContact CG-O 3.25Å; K65-S92 WeakPolarHBondContact CG-O 3.43Å; K65-S92 PolarHBondContact NZ-O 2.68Å; K65-S92 PolarHBondContact NZ-OG 2.71Å; K65-D93 IonicContact NZ-OD1 3.08Å; K65-D93 PolarHBondContact NZ-OD1 3.24Å; K65-D93 VanDerWaalsContact NZ-OD1 3.08Å
66Y90.9Very high88.7Confident38 Ų3872.8 Ų72.815%0.14938%0.382CS..  trans-59.4119.7174.4179.7-109.7000110.9R68 T71 N85 W88 E89Y66-R68 HydrophobicContact CE1-CB 4.15Å; Y66-T71 HydrophobicContact CE2-CG2 3.94Å; Y66-N85 HydrophobicContact CE2-CB 4Å; Y66-W88 AromaticContact CD2-CD2 3.78Å; Y66-W88 HydrophobicContact CD2-CD2 3.78Å; Y66-W88 AromaticContact CD2-CE3 3.64Å; Y66-W88 HydrophobicContact CD2-CE3 3.64Å; Y66-W88 HydrophobicContact CD2-CG 4.19Å; Y66-W88 HydrophobicContact CD2-CZ3 4.06Å; Y66-W88 HydrophobicContact CE2-CE3 4.32Å; Y66-W88 HydrophobicContact CG-CD2 4.37Å; Y66-W88 HydrophobicContact CG-CG 4.46Å; Y66-E89 HydrophobicContact CD1-CB 3.64Å; Y66-E89 HydrophobicContact CD1-CG 3.72Å; Y66-E89 HydrophobicContact CE1-CB 4.02Å; Y66-E89 HydrophobicContact CE1-CG 4.03Å; Y66-E89 HydrophobicContact CG-CB 4.17Å
67D89.3Confident88Confident58 Ų5880.6 Ų80.631%0.3142%0.422SS..  trans-118.8111173.1-177.7-5.8000108.6K65 A69 K70 T71K65-D67 PolarHBondContact O-N 3.35Å; K65-D67 VanDerWaalsContact O-N 3.16Å; D67-A69 PolarHBondContact O-N 3.48Å; D67-A69 WeakPolarHBondContact OD1-CB 3.3Å; D67-A69 PolarHBondContact OD1-N 3.39Å; D67-K70 HydrophobicContact CB-CB 4.24Å; D67-K70 HydrophobicContact CB-CD 4.29Å; D67-K70 HydrophobicContact CB-CG 4.39Å; D67-K70 PolarHBondContact O-N 3.06Å; D67-K70 VanDerWaalsContact O-N 3.16Å; D67-K70 VanDerWaalsContact OD2-CD 3.27Å; D67-K70 WeakPolarHBondContact OD2-CD 3.45Å; D67-K70 VanDerWaalsContact OD2-CE 3.25Å; D67-K70 WeakPolarHBondContact OD2-CE 3.44Å; D67-K70 WeakPolarHBondContact OD2-CG 3.35Å; D67-K70 IonicContact OD2-NZ 2.68Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 2.84Å; D67-T71 PolarHBondContact O-OG1 3.21Å
68R87.1Confident87.5Confident167 Ų16783.7 Ų83.763%0.6344%0.439SS*.THydrogen-bonded Turntrans-61-25.8179.4-171.9177-66.1-161.8-0.7112.4Y66 E89Y66-R68 HydrophobicContact CE1-CB 4.15Å; R68-E89 IonicContact CZ-OE1 3.72Å; R68-E89 IonicContact NH2-OE1 3.92Å; R68-E89 PolarHBondContact NH2-OE1 3.47Å; R68-E89 IonicContact NH2-OE2 3.95Å
69A87Confident87.2Confident93 Ų9387.3 Ų87.377%0.76946%0.457SS*.THydrogen-bonded Turntrans-77.7-28.5179.100000112.8D67D67-A69 PolarHBondContact O-N 3.48Å; D67-A69 WeakPolarHBondContact OD1-CB 3.3Å; D67-A69 PolarHBondContact OD1-N 3.39Å
70K84.4Confident86.9Confident171 Ų17190.5 Ų90.574%0.74347%0.473SS*.THydrogen-bonded Turntrans-96.2-21.3-179.4-66.3176.5-172.31710113.3D67D67-K70 HydrophobicContact CB-CB 4.24Å; D67-K70 HydrophobicContact CB-CD 4.29Å; D67-K70 HydrophobicContact CB-CG 4.39Å; D67-K70 PolarHBondContact O-N 3.06Å; D67-K70 VanDerWaalsContact O-N 3.16Å; D67-K70 VanDerWaalsContact OD2-CD 3.27Å; D67-K70 WeakPolarHBondContact OD2-CD 3.45Å; D67-K70 VanDerWaalsContact OD2-CE 3.25Å; D67-K70 WeakPolarHBondContact OD2-CE 3.44Å; D67-K70 WeakPolarHBondContact OD2-CG 3.35Å; D67-K70 IonicContact OD2-NZ 2.68Å
71T84.2Confident86.6Confident21 Ų2190.4 Ų90.413%0.12947%0.472CS..SBendtrans-89123.5-176.5-49.80000110.2Y66 D67 V73 W88Y66-T71 HydrophobicContact CE2-CG2 3.94Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 2.84Å; D67-T71 PolarHBondContact O-OG1 3.21Å; T71-V73 PolarHBondContact O-N 3.42Å; T71-W88 HydrophobicContact CG2-CZ3 4.03Å
72P81Confident86.4Confident109 Ų10991.2 Ų91.271%0.70848%0.477SS*.PPolyproline II helixtrans-55.7132.3173.7-24.333.7000110.8P74P72-P74 VanDerWaalsContact O-CD 3.22Å; P72-P74 WeakPolarHBondContact O-CD 3.48Å
73V81.5Confident86.5Confident130 Ų13089.3 Ų89.379%0.78847%0.469SS*.PPolyproline II helixtrans-66.6117.1175.8-1780000107.7T71T71-V73 PolarHBondContact O-N 3.42Å
74P81Confident86.7Confident25 Ų2585.7 Ų85.716%0.16245%0.454CS..PPolyproline II helixtrans-57.7142.3177.1-24.135.6000110.5P72 D78 Q82 N85P72-P74 VanDerWaalsContact O-CD 3.22Å; P72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-D78 HydrophobicContact CB-CB 4.11Å; P74-Q82 HydrophobicContact CB-CG 3.85Å; P74-Q82 HydrophobicContact CG-CG 4.37Å; P74-N85 WeakPolarHBondContact CD-ND2 3.45Å; P74-N85 VanDerWaalsContact CG-ND2 3.26Å; P74-N85 WeakPolarHBondContact CG-ND2 3.31Å
75G80.3Confident86.8Confident46 Ų4685.1 Ų85.147%0.47445%0.447SS..PPolyproline II helixtrans-61.1163.517700000112.3L77 D78 Q82G75-L77 PolarHBondContact O-N 2.87Å; G75-L77 VanDerWaalsContact O-N 3.14Å; G75-D78 PolarHBondContact O-N 3.44Å; G75-Q82 PolarHBondContact O-NE2 3.42Å
76L78.5Confident86.9Confident157 Ų15781.9 Ų81.982%0.82244%0.442SS*.THydrogen-bonded Turntrans-55.8-33.6-179.1-177.662.5000113Q82L76-Q82 PolarHBondContact O-NE2 3.48Å
77L81.7Confident87.1Confident163 Ų16384.8 Ų84.885%0.85345%0.453SS*.THydrogen-bonded Turntrans-89.9-8.2-179.3-57.2179.7000113.8G75 I79G75-L77 PolarHBondContact O-N 2.87Å; G75-L77 VanDerWaalsContact O-N 3.14Å; L77-I79 VanDerWaalsContact C-N 3.3Å; L77-I79 PolarHBondContact O-N 3.19Å
78D87.6Confident87.4Confident65 Ų6582.3 Ų82.335%0.34844%0.439SS..  trans-85.769.5-179.5-175.614.3000111.1P74 G75 I80 G81 Q82P74-D78 HydrophobicContact CB-CB 4.11Å; G75-D78 PolarHBondContact O-N 3.44Å; D78-I80 PolarHBondContact O-N 3.04Å; D78-G81 PolarHBondContact O-N 2.73Å; D78-G81 PolarHBondContact OD1-N 2.82Å; D78-G81 WeakPolarHBondContact OD2-CA 3.33Å; D78-Q82 VanDerWaalsContact O-CG 3.29Å; D78-Q82 WeakPolarHBondContact O-CG 3.42Å; D78-Q82 PolarHBondContact O-N 3.48Å
79I87.6Confident87.7Confident98 Ų9878.4 Ų78.450%0.50343%0.428SS..Hα-helixtrans-59.7-35.6179.9-60.5173.3000110.8L77 K83L77-I79 VanDerWaalsContact C-N 3.3Å; L77-I79 PolarHBondContact O-N 3.19Å; I79-K83 HydrophobicContact CG2-CD 4.27Å; I79-K83 HydrophobicContact CG2-CG 4.45Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 WeakPolarHBondContact O-CG 3.16Å; I79-K83 PolarHBondContact O-N 3.43Å
80I86.2Confident88.1Confident81 Ų8178.6 Ų78.642%0.41542%0.42SS..Hα-helixtrans-66.7-50179.8-61.4176.6000109.6F48 I52 D78 Q82 K83 R84F48-I80 HydrophobicContact CE2-CG1 4.32Å; I52-I80 HydrophobicContact CD1-CB 4.31Å; I52-I80 HydrophobicContact CD1-CG2 3.72Å; I52-I80 WeakPolarHBondContact CD1-O 3.49Å; D78-I80 PolarHBondContact O-N 3.04Å; I80-Q82 PolarHBondContact O-N 3.33Å; I80-K83 PolarHBondContact O-N 3.34Å; I80-R84 VanDerWaalsContact O-CB 3.25Å; I80-R84 WeakPolarHBondContact O-CB 3.49Å; I80-R84 PolarHBondContact O-N 3.31Å
81G89.4Confident88.5Confident0 Ų071.6 Ų71.60%039%0.391CS..Hα-helixtrans-62.8-40.8177.400000113D78 R84 N85D78-G81 PolarHBondContact O-N 2.73Å; D78-G81 PolarHBondContact OD1-N 2.82Å; D78-G81 WeakPolarHBondContact OD2-CA 3.33Å; G81-R84 PolarHBondContact O-N 2.67Å; G81-N85 WeakPolarHBondContact O-CB 3.31Å; G81-N85 PolarHBondContact O-N 3.43Å; G81-N85 PolarHBondContact O-OD1 2.85Å
82Q90.4Very high88.4Confident80 Ų8072.3 Ų72.337%0.37440%0.396SS..Hα-helixtrans-60-49.8175.1-71.4176.216.400111.5P74 G75 L76 D78 I80 N85 A86P74-Q82 HydrophobicContact CB-CG 3.85Å; P74-Q82 HydrophobicContact CG-CG 4.37Å; G75-Q82 PolarHBondContact O-NE2 3.42Å; L76-Q82 PolarHBondContact O-NE2 3.48Å; D78-Q82 VanDerWaalsContact O-CG 3.29Å; D78-Q82 WeakPolarHBondContact O-CG 3.42Å; D78-Q82 PolarHBondContact O-N 3.48Å; I80-Q82 PolarHBondContact O-N 3.33Å; Q82-N85 PolarHBondContact O-N 2.92Å; Q82-A86 WeakPolarHBondContact O-CB 3.29Å; Q82-A86 PolarHBondContact O-N 3.29Å
83K93.6Very high88.7Confident98 Ų9873.7 Ų73.743%0.42640%0.398SS..Hα-helixtrans-69.1-35.7-179.7-72.9-169.4177.6-167.90112.9F48 I52 I79 I80 A86 R87F48-K83 HydrophobicContact CD1-CD 4.49Å; F48-K83 HydrophobicContact CE1-CD 3.28Å; F48-K83 HydrophobicContact CZ-CD 3.57Å; I52-K83 HydrophobicContact CD1-CB 3.95Å; I52-K83 HydrophobicContact CG1-CB 4.18Å; I52-K83 HydrophobicContact CG2-CB 4.14Å; I52-K83 WeakPolarHBondContact CG2-O 3.25Å; I79-K83 HydrophobicContact CG2-CD 4.27Å; I79-K83 HydrophobicContact CG2-CG 4.45Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 WeakPolarHBondContact O-CG 3.16Å; I79-K83 PolarHBondContact O-N 3.43Å; I80-K83 PolarHBondContact O-N 3.34Å; K83-A86 PolarHBondContact O-N 2.93Å; K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å
84R94.8Very high89.2Confident65 Ų6568.9 Ų68.925%0.24537%0.367CS..Hα-helixtrans-59.9-49.1171.4179.4-170.265.8-139-8.1111.1S55 A56 I80 G81 R87 W88S55-R84 WeakPolarHBondContact OG-CD 3.24Å; A56-R84 HydrophobicContact CB-CG 4.31Å; I80-R84 VanDerWaalsContact O-CB 3.25Å; I80-R84 WeakPolarHBondContact O-CB 3.49Å; I80-R84 PolarHBondContact O-N 3.31Å; G81-R84 PolarHBondContact O-N 2.67Å; R84-R87 PolarHBondContact O-N 2.97Å; R84-W88 WeakPolarHBondContact O-CB 3.44Å; R84-W88 PolarHBondContact O-N 3.32Å
85N94Very high89.7Confident5 Ų572.6 Ų72.63%0.02738%0.381CS..Hα-helixtrans-65.8-40.2-179.6-70.310.4000111.3Y66 P74 G81 Q82 W88 E89Y66-N85 HydrophobicContact CE2-CB 4Å; P74-N85 WeakPolarHBondContact CD-ND2 3.45Å; P74-N85 VanDerWaalsContact CG-ND2 3.26Å; P74-N85 WeakPolarHBondContact CG-ND2 3.31Å; G81-N85 WeakPolarHBondContact O-CB 3.31Å; G81-N85 PolarHBondContact O-N 3.43Å; G81-N85 PolarHBondContact O-OD1 2.85Å; Q82-N85 PolarHBondContact O-N 2.92Å; N85-W88 PolarHBondContact O-N 3.32Å; N85-E89 WeakPolarHBondContact O-CB 3.24Å; N85-E89 PolarHBondContact O-N 2.91Å
86A94.3Very high90.4Very high50 Ų5073.3 Ų73.341%0.41338%0.377SS..Hα-helixtrans-60.9-44.9173.200000111.7Q82 K83 E89 T90Q82-A86 WeakPolarHBondContact O-CB 3.29Å; Q82-A86 PolarHBondContact O-N 3.29Å; K83-A86 PolarHBondContact O-N 2.93Å; A86-E89 PolarHBondContact O-N 3.42Å; A86-T90 WeakPolarHBondContact O-CG2 3.39Å; A86-T90 PolarHBondContact O-N 2.86Å
87R95.4Very high91.1Very high98 Ų9869.2 Ų69.237%0.3735%0.352SS..Hα-helixtrans-63.9-41.7176-175.958.7175.6159.50.1111.7I52 H53 A56 K83 R84 E89 T90 L91I52-R87 HydrophobicContact CG2-CB 3.91Å; I52-R87 HydrophobicContact CG2-CG 4.38Å; H53-R87 PolarHBondContact ND1-NE 2.94Å; A56-R87 HydrophobicContact CB-CB 4.1Å; A56-R87 HydrophobicContact CB-CG 3.93Å; K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å; R84-R87 PolarHBondContact O-N 2.97Å; R87-E89 VanDerWaalsContact C-N 3.34Å; R87-E89 PolarHBondContact O-N 2.88Å; R87-T90 PolarHBondContact O-N 3.4Å; R87-T90 VanDerWaalsContact O-N 3.15Å; R87-T90 PolarHBondContact O-OG1 2.85Å; R87-L91 HydrophobicContact CG-CD1 4.36Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.26Å
88W95.1Very high91.6Very high6 Ų664.5 Ų64.52%0.02333%0.326CS..Hα-helixtrans-62.3-40.6175.6-1759.5000111.9A56 C59 I60 Y63 G64 Y66 T71 R84 N85 T90 L91A56-W88 HydrophobicContact CB-CB 4.08Å; C59-W88 HydrophobicContact CB-CD2 3.62Å; C59-W88 HydrophobicContact CB-CE3 3.46Å; C59-W88 VanDerWaalsContact CB-CE3 3.46Å; C59-W88 HydrophobicContact CB-CG 4.36Å; C59-W88 HydrophobicContact CB-CH2 3.89Å; C59-W88 HydrophobicContact CB-CZ2 4.02Å; C59-W88 HydrophobicContact CB-CZ3 3.61Å; I60-W88 HydrophobicContact CG1-CG 4.23Å; I60-W88 VanDerWaalsContact CG1-NE1 3.29Å; Y63-W88 AromaticContact CD2-CH2 3.68Å; Y63-W88 HydrophobicContact CD2-CH2 3.68Å; Y63-W88 HydrophobicContact CD2-CZ2 4.36Å; Y63-W88 HydrophobicContact CD2-CZ3 4.35Å; Y63-W88 HydrophobicContact CG-CH2 4.05Å; G64-W88 VanDerWaalsContact O-CZ2 3.32Å; G64-W88 WeakPolarHBondContact O-CZ2 3.29Å; G64-W88 PolarHBondContact O-NE1 3.49Å; Y66-W88 AromaticContact CD2-CD2 3.78Å; Y66-W88 HydrophobicContact CD2-CD2 3.78Å; Y66-W88 AromaticContact CD2-CE3 3.64Å; Y66-W88 HydrophobicContact CD2-CE3 3.64Å; Y66-W88 HydrophobicContact CD2-CG 4.19Å; Y66-W88 HydrophobicContact CD2-CZ3 4.06Å; Y66-W88 HydrophobicContact CE2-CE3 4.32Å; Y66-W88 HydrophobicContact CG-CD2 4.37Å; Y66-W88 HydrophobicContact CG-CG 4.46Å; T71-W88 HydrophobicContact CG2-CZ3 4.03Å; R84-W88 WeakPolarHBondContact O-CB 3.44Å; R84-W88 PolarHBondContact O-N 3.32Å; N85-W88 PolarHBondContact O-N 3.32Å; W88-T90 VanDerWaalsContact C-N 3.3Å; W88-T90 PolarHBondContact O-N 2.93Å; W88-L91 CarbonylContact O-C 3.59Å; W88-L91 PolarHBondContact O-N 2.93Å; W88-L91 VanDerWaalsContact O-N 3.09Å
89E94.1Very high92Very high86 Ų8661.4 Ų61.440%0.40231%0.309SS..Hα-helixtrans-62.2-35.3173.1-168.6170.3-13800111.7Y66 R68 N85 A86 R87 L91 S92Y66-E89 HydrophobicContact CD1-CB 3.64Å; Y66-E89 HydrophobicContact CD1-CG 3.72Å; Y66-E89 HydrophobicContact CE1-CB 4.02Å; Y66-E89 HydrophobicContact CE1-CG 4.03Å; Y66-E89 HydrophobicContact CG-CB 4.17Å; R68-E89 IonicContact CZ-OE1 3.72Å; R68-E89 IonicContact NH2-OE1 3.92Å; R68-E89 PolarHBondContact NH2-OE1 3.47Å; R68-E89 IonicContact NH2-OE2 3.95Å; N85-E89 WeakPolarHBondContact O-CB 3.24Å; N85-E89 PolarHBondContact O-N 2.91Å; A86-E89 PolarHBondContact O-N 3.42Å; R87-E89 VanDerWaalsContact C-N 3.34Å; R87-E89 PolarHBondContact O-N 2.88Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.31Å; E89-S92 WeakPolarHBondContact O-CB 3.3Å
90T94.8Very high92.4Very high97 Ų9756.9 Ų56.960%0.59529%0.286SS*.Hα-helixtrans-70.3-21.7173.764.10000114.2A86 R87 W88 S92A86-T90 WeakPolarHBondContact O-CG2 3.39Å; A86-T90 PolarHBondContact O-N 2.86Å; R87-T90 PolarHBondContact O-N 3.4Å; R87-T90 VanDerWaalsContact O-N 3.15Å; R87-T90 PolarHBondContact O-OG1 2.85Å; W88-T90 VanDerWaalsContact C-N 3.3Å; W88-T90 PolarHBondContact O-N 2.93Å; T90-S92 VanDerWaalsContact C-N 3.31Å; T90-S92 PolarHBondContact O-N 2.94Å
91L93.3Very high92.9Very high24 Ų2453.7 Ų53.713%0.12627%0.27CS..THydrogen-bonded Turntrans-96.730.5-179.9-63.7173.3000111.7A56 L57 I60 R87 W88 E89 D93 M94A56-L91 HydrophobicContact CB-CD1 4.43Å; L57-L91 HydrophobicContact CD2-CD1 4.17Å; I60-L91 HydrophobicContact CD1-CB 3.62Å; I60-L91 HydrophobicContact CD1-CD1 3.79Å; I60-L91 HydrophobicContact CD1-CG 4.36Å; R87-L91 HydrophobicContact CG-CD1 4.36Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.26Å; W88-L91 CarbonylContact O-C 3.59Å; W88-L91 PolarHBondContact O-N 2.93Å; W88-L91 VanDerWaalsContact O-N 3.09Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.31Å; L91-D93 PolarHBondContact O-N 3.43Å; L91-D93 VanDerWaalsContact O-N 3.08Å; L91-M94 HydrophobicContact CD2-CE 4.18Å; L91-M94 WeakPolarHBondContact O-CB 3.42Å; L91-M94 PolarHBondContact O-N 3.44Å
92S82.5Confident93.2Very high35 Ų3556.7 Ų56.725%0.24528%0.284CS..THydrogen-bonded Turntrans-65.1-18.6-163.290.70000116.2K65 E89 T90K65-S92 VanDerWaalsContact CD-O 3.3Å; K65-S92 WeakPolarHBondContact CD-O 3.03Å; K65-S92 WeakPolarHBondContact CE-O 3.2Å; K65-S92 VanDerWaalsContact CG-O 3.25Å; K65-S92 WeakPolarHBondContact CG-O 3.43Å; K65-S92 PolarHBondContact NZ-O 2.68Å; K65-S92 PolarHBondContact NZ-OG 2.71Å; E89-S92 WeakPolarHBondContact O-CB 3.3Å; T90-S92 VanDerWaalsContact C-N 3.31Å; T90-S92 PolarHBondContact O-N 2.94Å
93D86.9Confident93.5Very high138 Ų13852.9 Ų52.974%0.73827%0.266SS*.THydrogen-bonded Turntrans-103.8-2-176.6-58.8-37.4000112.7K65 L91K65-D93 IonicContact NZ-OD1 3.08Å; K65-D93 PolarHBondContact NZ-OD1 3.24Å; K65-D93 VanDerWaalsContact NZ-OD1 3.08Å; L91-D93 PolarHBondContact O-N 3.43Å; L91-D93 VanDerWaalsContact O-N 3.08Å
94M92Very high93.6Very high29 Ų2948.2 Ų48.214%0.14325%0.246CC..  trans-71.8131.1-179.7-173.8167-81.200111.5L57 I60 L91 E98 A99 E102L57-M94 HydrophobicContact CD2-SD 3.54Å; L57-M94 VanDerWaalsContact CD2-SD 3.54Å; I60-M94 HydrophobicContact CD1-CB 4.38Å; I60-M94 HydrophobicContact CD1-SD 4.05Å; I60-M94 HydrophobicContact CG2-CG 4.49Å; L91-M94 HydrophobicContact CD2-CE 4.18Å; L91-M94 WeakPolarHBondContact O-CB 3.42Å; L91-M94 PolarHBondContact O-N 3.44Å; M94-E98 WeakPolarHBondContact CA-OE2 3.25Å; M94-E98 HydrophobicContact CE-CG 4.47Å; M94-E98 HydrophobicContact CG-CB 4.14Å; M94-E98 HydrophobicContact CG-CG 4.04Å; M94-A99 HydrophobicContact CG-CB 4.05Å; M94-A99 HydrophobicContact SD-CB 3.89Å; M94-E102 WeakPolarHBondContact CE-OE2 3.44Å; M94-E102 VanDerWaalsContact SD-OE2 3.35Å
95K92.4Very high93.6Very high104 Ų10448.6 Ų48.645%0.45225%0.253SS..  trans-77.8155.8177-62.7175.5-169.7165.20110.9D7 K97 E98 A99D7-K95 IonicContact OD1-NZ 3.26Å; D7-K95 PolarHBondContact OD1-NZ 3.26Å; K95-K97 VanDerWaalsContact C-N 3.31Å; K95-K97 PolarHBondContact O-N 3.35Å; K95-E98 HydrophobicContact CB-CB 4.15Å; K95-E98 PolarHBondContact N-OE2 2.9Å; K95-E98 VanDerWaalsContact N-OE2 3.14Å; K95-E98 WeakPolarHBondContact O-CB 3.47Å; K95-E98 PolarHBondContact O-N 2.98Å; K95-A99 PolarHBondContact O-N 3.32Å
96P93.3Very high93.6Very high60 Ų6052.6 Ų52.639%0.3927%0.268SS..Hα-helixtrans-55.2-42.1177-28.736.2000114.2A99 Q100P96-A99 PolarHBondContact O-N 2.86Å; P96-Q100 WeakPolarHBondContact O-CG 3.4Å; P96-Q100 PolarHBondContact O-N 3.35Å; P96-Q100 VanDerWaalsContact O-N 3.12Å
97K93.4Very high93.5Very high71 Ų7150.2 Ų50.231%0.30925%0.248SC..Hα-helixtrans-73.5-38.7-178.7-73.4-82.6167.7-166.30112.2E10 I14 D26 K95 A99 Q100 V101E10-K97 WeakPolarHBondContact OE1-CB 3.13Å; I14-K97 HydrophobicContact CD1-CD 4.47Å; D26-K97 IonicContact OD1-NZ 3.96Å; D26-K97 PolarHBondContact OD1-NZ 2.82Å; D26-K97 IonicContact OD2-NZ 2.77Å; D26-K97 PolarHBondContact OD2-NZ 3.46Å; K95-K97 VanDerWaalsContact C-N 3.31Å; K95-K97 PolarHBondContact O-N 3.35Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.12Å; K97-Q100 VanDerWaalsContact CD-OE1 3.25Å; K97-Q100 WeakPolarHBondContact O-CB 3.47Å; K97-Q100 PolarHBondContact O-N 3.41Å; K97-Q100 VanDerWaalsContact O-N 3.14Å; K97-V101 WeakPolarHBondContact O-CG2 3.4Å; K97-V101 PolarHBondContact O-N 2.87Å
98E93.5Very high93.3Very high64 Ų6446.6 Ų46.630%0.29924%0.238SC..Hα-helixtrans-56.8-45.4168.8-173.5-175.6-173.400111.8E10 M94 K95 Q100 V101 E102E10-E98 PolarHBondContact OE1-N 2.89Å; M94-E98 WeakPolarHBondContact CA-OE2 3.25Å; M94-E98 HydrophobicContact CE-CG 4.47Å; M94-E98 HydrophobicContact CG-CB 4.14Å; M94-E98 HydrophobicContact CG-CG 4.04Å; K95-E98 HydrophobicContact CB-CB 4.15Å; K95-E98 PolarHBondContact N-OE2 2.9Å; K95-E98 VanDerWaalsContact N-OE2 3.14Å; K95-E98 WeakPolarHBondContact O-CB 3.47Å; K95-E98 PolarHBondContact O-N 2.98Å; E98-Q100 VanDerWaalsContact C-N 3.3Å; E98-Q100 PolarHBondContact O-N 3.49Å; E98-V101 PolarHBondContact O-N 2.9Å; E98-E102 PolarHBondContact O-N 3.1Å
99A94.8Very high93.1Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-62.5-35.1176.300000112.7L57 I60 M94 K95 P96 K97 F103L57-A99 HydrophobicContact CD2-CB 3.94Å; I60-A99 HydrophobicContact CB-CB 3.87Å; I60-A99 HydrophobicContact CG2-CB 3.59Å; M94-A99 HydrophobicContact CG-CB 4.05Å; M94-A99 HydrophobicContact SD-CB 3.89Å; K95-A99 PolarHBondContact O-N 3.32Å; P96-A99 PolarHBondContact O-N 2.86Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.12Å; A99-F103 WeakPolarHBondContact O-CB 3.25Å; A99-F103 PolarHBondContact O-N 2.93Å
100Q96Very high92.9Very high4 Ų451.1 Ų51.12%0.01926%0.26CS..Hα-helixtrans-65.9-44.6174-68.2178.5-7500111.7F25 D26 F29 K61 P96 K97 E98 F103 I104F25-Q100 HydrophobicContact CE1-CB 3.71Å; F25-Q100 HydrophobicContact CZ-CB 4.4Å; D26-Q100 PolarHBondContact OD1-NE2 3.32Å; D26-Q100 PolarHBondContact OD1-OE1 2.88Å; F29-Q100 HydrophobicContact CB-CB 4.47Å; F29-Q100 HydrophobicContact CB-CG 4.35Å; F29-Q100 HydrophobicContact CD1-CG 4.34Å; F29-Q100 HydrophobicContact CD2-CB 3.61Å; F29-Q100 HydrophobicContact CD2-CG 3.48Å; F29-Q100 VanDerWaalsContact CD2-CG 3.48Å; F29-Q100 HydrophobicContact CE2-CB 4.13Å; F29-Q100 HydrophobicContact CE2-CG 3.77Å; F29-Q100 HydrophobicContact CG-CB 4.17Å; F29-Q100 HydrophobicContact CG-CG 3.78Å; F29-Q100 HydrophobicContact CZ-CG 4.34Å; K61-Q100 HydrophobicContact CB-CG 4.26Å; K61-Q100 HydrophobicContact CG-CG 3.72Å; P96-Q100 WeakPolarHBondContact O-CG 3.4Å; P96-Q100 PolarHBondContact O-N 3.35Å; P96-Q100 VanDerWaalsContact O-N 3.12Å; K97-Q100 VanDerWaalsContact CD-OE1 3.25Å; K97-Q100 WeakPolarHBondContact O-CB 3.47Å; K97-Q100 PolarHBondContact O-N 3.41Å; K97-Q100 VanDerWaalsContact O-N 3.14Å; E98-Q100 VanDerWaalsContact C-N 3.3Å; E98-Q100 PolarHBondContact O-N 3.49Å; Q100-F103 PolarHBondContact O-N 2.84Å; Q100-I104 WeakPolarHBondContact O-CG1 3.43Å; Q100-I104 PolarHBondContact O-N 2.89Å
101V96.2Very high92.5Very high14 Ų1446.7 Ų46.79%0.08523%0.233CC..Hα-helixtrans-60.5-48175.8173.50000110.8E10 A13 I14 F25 K97 E98 F103 I104 N105E10-V101 HydrophobicContact CG-CG2 4.03Å; A13-V101 HydrophobicContact CB-CG1 3.8Å; I14-V101 HydrophobicContact CD1-CG2 4.16Å; I14-V101 HydrophobicContact CG1-CG2 3.64Å; F25-V101 HydrophobicContact CE1-CG2 3.89Å; F25-V101 HydrophobicContact CE2-CG2 4.42Å; F25-V101 HydrophobicContact CZ-CB 4.3Å; F25-V101 HydrophobicContact CZ-CG2 3.47Å; F25-V101 VanDerWaalsContact CZ-CG2 3.47Å; K97-V101 WeakPolarHBondContact O-CG2 3.4Å; K97-V101 PolarHBondContact O-N 2.87Å; E98-V101 PolarHBondContact O-N 2.9Å; V101-F103 PolarHBondContact O-N 3.41Å; V101-I104 PolarHBondContact O-N 3.36Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.3Å; V101-N105 WeakPolarHBondContact O-CB 3.24Å; V101-N105 PolarHBondContact O-N 2.85Å; V101-N105 PolarHBondContact O-ND2 3.19Å
102E95.9Very high92.3Very high62 Ų6249.6 Ų49.629%0.2925%0.253SS..Hα-helixtrans-62.2-43.5177.1-171.7177-168.100111.3H53 L57 M94 E98 I104 N105 R106H53-E102 IonicContact CE1-OE1 2.96Å; H53-E102 PolarHBondContact CE1-OE1 2.75Å; H53-E102 VanDerWaalsContact CE1-OE1 3.26Å; H53-E102 IonicContact CE1-OE2 2.67Å; H53-E102 IonicContact NE2-OE1 3.04Å; H53-E102 PolarHBondContact NE2-OE1 2.89Å; H53-E102 VanDerWaalsContact NE2-OE1 3.09Å; L57-E102 HydrophobicContact CD1-CB 4.23Å; L57-E102 HydrophobicContact CD1-CG 4Å; L57-E102 HydrophobicContact CD2-CB 4.37Å; L57-E102 HydrophobicContact CD2-CG 4.48Å; L57-E102 WeakPolarHBondContact CD2-OE2 3.47Å; M94-E102 WeakPolarHBondContact CE-OE2 3.44Å; M94-E102 VanDerWaalsContact SD-OE2 3.35Å; E98-E102 PolarHBondContact O-N 3.1Å; E102-I104 PolarHBondContact O-N 3.05Å; E102-N105 PolarHBondContact O-N 2.83Å; E102-R106 WeakPolarHBondContact O-CB 3.14Å; E102-R106 PolarHBondContact O-N 2.84Å
103F96.7Very high92.4Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-58.7-50.8178.9-176.7-87.1000111.5F29 A32 F36 L54 L57 I58 A99 Q100 V101 R106 I107F29-F103 HydrophobicContact CD2-CB 4.31Å; F29-F103 AromaticContact CD2-CD1 3.99Å; F29-F103 HydrophobicContact CD2-CD1 3.99Å; F29-F103 HydrophobicContact CD2-CG 4.33Å; F29-F103 HydrophobicContact CE2-CB 3.8Å; F29-F103 AromaticContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD2 4.39Å; F29-F103 HydrophobicContact CE2-CE1 4.41Å; F29-F103 AromaticContact CE2-CG 3.71Å; F29-F103 HydrophobicContact CE2-CG 3.71Å; A32-F103 HydrophobicContact CB-CD1 3.92Å; A32-F103 HydrophobicContact CB-CE1 3.6Å; F36-F103 HydrophobicContact CB-CZ 4.09Å; F36-F103 HydrophobicContact CD1-CZ 4.34Å; F36-F103 HydrophobicContact CG-CZ 4.3Å; L54-F103 HydrophobicContact CB-CD2 4.21Å; L54-F103 HydrophobicContact CB-CE2 3.83Å; L54-F103 HydrophobicContact CD2-CD2 3.56Å; L54-F103 HydrophobicContact CD2-CE2 3.71Å; L54-F103 HydrophobicContact CD2-CG 4.17Å; L54-F103 HydrophobicContact CD2-CZ 4.42Å; L54-F103 HydrophobicContact CG-CE2 4.34Å; L57-F103 HydrophobicContact CB-CB 4.25Å; L57-F103 HydrophobicContact CB-CD2 4.02Å; L57-F103 HydrophobicContact CD1-CB 4.06Å; L57-F103 HydrophobicContact CD1-CD2 4.41Å; I58-F103 HydrophobicContact CD1-CE2 3.67Å; I58-F103 HydrophobicContact CD1-CZ 4.03Å; I58-F103 HydrophobicContact CG1-CD2 4.07Å; I58-F103 HydrophobicContact CG1-CE2 3.53Å; I58-F103 HydrophobicContact CG1-CZ 4.12Å; A99-F103 WeakPolarHBondContact O-CB 3.25Å; A99-F103 PolarHBondContact O-N 2.93Å; Q100-F103 PolarHBondContact O-N 2.84Å; V101-F103 PolarHBondContact O-N 3.41Å; F103-R106 PolarHBondContact O-N 3.45Å; F103-I107 HydrophobicContact CD1-CG1 4.1Å; F103-I107 HydrophobicContact CE1-CD1 4.46Å; F103-I107 HydrophobicContact CE1-CG1 3.75Å; F103-I107 HydrophobicContact CZ-CD1 4.3Å; F103-I107 HydrophobicContact CZ-CG1 4.04Å; F103-I107 WeakPolarHBondContact O-CG1 3.2Å; F103-I107 PolarHBondContact O-N 3.37Å
104I95.8Very high92.6Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-62.1-48.6179.8-69162.2000110.2F17 F25 I28 F29 A32 Q100 V101 E102 R106 I107 C108 F114F17-I104 HydrophobicContact CD1-CG2 4.14Å; F17-I104 HydrophobicContact CE1-CG2 3.56Å; F17-I104 HydrophobicContact CE2-CG2 4.03Å; F17-I104 HydrophobicContact CZ-CG2 3.51Å; F25-I104 HydrophobicContact CD2-CD1 4.41Å; F25-I104 HydrophobicContact CE1-CD1 4.21Å; F25-I104 HydrophobicContact CE2-CD1 3.64Å; F25-I104 HydrophobicContact CZ-CD1 3.52Å; I28-I104 HydrophobicContact CB-CD1 4.38Å; I28-I104 HydrophobicContact CG2-CD1 3.77Å; I28-I104 HydrophobicContact CG2-CG1 4.31Å; I28-I104 HydrophobicContact CG2-CG2 4.35Å; F29-I104 HydrophobicContact CB-CD1 4.11Å; F29-I104 HydrophobicContact CD2-CG1 4.5Å; A32-I104 HydrophobicContact CB-CG1 4.15Å; Q100-I104 WeakPolarHBondContact O-CG1 3.43Å; Q100-I104 PolarHBondContact O-N 2.89Å; V101-I104 PolarHBondContact O-N 3.36Å; E102-I104 PolarHBondContact O-N 3.05Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.96Å; I104-I107 PolarHBondContact O-N 3.28Å; I104-C108 WeakPolarHBondContact O-CB 3.5Å; I104-C108 PolarHBondContact O-N 3.44Å; I104-C108 PolarHBondContact O-SG 3.43Å; I104-C108 VanDerWaalsContact O-SG 3.32Å; I104-F114 HydrophobicContact CG2-CE1 4.41Å
105N94.8Very high92.5Very high74 Ų7445.8 Ų45.840%0.39623%0.23SC..Hα-helixtrans-60-41.3178.6-77.4-32.1000112F17 V101 E102 C108 H109F17-N105 WeakPolarHBondContact CE2-OD1 3.1Å; F17-N105 WeakPolarHBondContact CZ-OD1 3.3Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.3Å; V101-N105 WeakPolarHBondContact O-CB 3.24Å; V101-N105 PolarHBondContact O-N 2.85Å; V101-N105 PolarHBondContact O-ND2 3.19Å; E102-N105 PolarHBondContact O-N 2.83Å; N105-C108 PolarHBondContact O-N 3.42Å; N105-H109 WeakPolarHBondContact O-CB 3.34Å; N105-H109 PolarHBondContact O-N 3.28Å
106R93.7Very high92.3Very high89 Ų8942.5 Ų42.534%0.33622%0.22SC..Hα-helixtrans-67.1-43.6178.7-167.669.5-179.9178.51.9111.1D50 L54 E102 F103 I104 H109 L110D50-R106 IonicContact OD1-CZ 3.45Å; D50-R106 VanDerWaalsContact OD1-CZ 3.26Å; D50-R106 IonicContact OD1-NE 2.78Å; D50-R106 PolarHBondContact OD1-NE 3.45Å; D50-R106 IonicContact OD1-NH2 2.99Å; D50-R106 PolarHBondContact OD1-NH2 3.1Å; L54-R106 HydrophobicContact CD2-CB 3.96Å; L54-R106 HydrophobicContact CD2-CG 3.98Å; L54-R106 HydrophobicContact CG-CG 4.46Å; E102-R106 WeakPolarHBondContact O-CB 3.14Å; E102-R106 PolarHBondContact O-N 2.84Å; F103-R106 PolarHBondContact O-N 3.45Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.96Å; R106-H109 PolarHBondContact O-N 3.18Å; R106-L110 HydrophobicContact CG-CD1 3.77Å; R106-L110 HydrophobicContact CG-CG 4.28Å; R106-L110 WeakPolarHBondContact O-CB 3.34Å; R106-L110 VanDerWaalsContact O-CG 3.23Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.82Å
107I92Very high92.1Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-62.2-45.4174.1-68.6-68.6000111F35 F36 L54 F103 I104 H109 L110 C111 F114F35-I107 HydrophobicContact CD1-CG2 4.2Å; F36-I107 HydrophobicContact CB-CD1 4.01Å; F36-I107 HydrophobicContact CD2-CD1 3.9Å; F36-I107 HydrophobicContact CG-CD1 4.22Å; L54-I107 HydrophobicContact CD1-CD1 3.54Å; L54-I107 HydrophobicContact CD1-CG1 4.44Å; L54-I107 HydrophobicContact CD2-CD1 3.9Å; L54-I107 HydrophobicContact CD2-CG1 3.9Å; L54-I107 HydrophobicContact CG-CD1 4.35Å; F103-I107 HydrophobicContact CD1-CG1 4.1Å; F103-I107 HydrophobicContact CE1-CD1 4.46Å; F103-I107 HydrophobicContact CE1-CG1 3.75Å; F103-I107 HydrophobicContact CZ-CD1 4.3Å; F103-I107 HydrophobicContact CZ-CG1 4.04Å; F103-I107 WeakPolarHBondContact O-CG1 3.2Å; F103-I107 PolarHBondContact O-N 3.37Å; I104-I107 PolarHBondContact O-N 3.28Å; I107-H109 PolarHBondContact O-N 3.11Å; I107-L110 PolarHBondContact O-N 3.4Å; I107-C111 CarbonylContact O-C 3.55Å; I107-C111 PolarHBondContact O-N 2.87Å; I107-F114 HydrophobicContact CB-CD1 4.35Å; I107-F114 HydrophobicContact CG2-CB 3.76Å; I107-F114 HydrophobicContact CG2-CD1 3.5Å; I107-F114 HydrophobicContact CG2-CD2 4.17Å; I107-F114 HydrophobicContact CG2-CE1 4.13Å; I107-F114 HydrophobicContact CG2-CG 3.52Å
108C91.7Very high92Very high22 Ų2238 Ų3815%0.14919%0.194CC..Hα-helixtrans-57.6-38.9176.2-73.50000112.3I104 N105I104-C108 WeakPolarHBondContact O-CB 3.5Å; I104-C108 PolarHBondContact O-N 3.44Å; I104-C108 PolarHBondContact O-SG 3.43Å; I104-C108 VanDerWaalsContact O-SG 3.32Å; N105-C108 PolarHBondContact O-N 3.42Å
109H91.1Very high91.7Very high141 Ų14138.6 Ų38.665%0.65320%0.197SC*.Hα-helixtrans-72.5-46.1178.2-178.570.3000112.7N105 R106 I107N105-H109 WeakPolarHBondContact O-CB 3.34Å; N105-H109 PolarHBondContact O-N 3.28Å; R106-H109 PolarHBondContact O-N 3.18Å; I107-H109 PolarHBondContact O-N 3.11Å
110L89.6Confident91.4Very high45 Ų4539 Ų3924%0.23620%0.2CC..Hα-helixtrans-74.7-32.5-176.6-67.6174.5000112.9L46 D50 L54 R106 I107L46-L110 HydrophobicContact CD2-CD1 4.06Å; D50-L110 HydrophobicContact CB-CD1 3.68Å; D50-L110 HydrophobicContact CB-CD2 4.49Å; D50-L110 WeakPolarHBondContact OD2-CD2 3.43Å; L54-L110 HydrophobicContact CD1-CD1 4.05Å; R106-L110 HydrophobicContact CG-CD1 3.77Å; R106-L110 HydrophobicContact CG-CG 4.28Å; R106-L110 WeakPolarHBondContact O-CB 3.34Å; R106-L110 VanDerWaalsContact O-CG 3.23Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.82Å; I107-L110 PolarHBondContact O-N 3.4Å
111C87.7Confident91Very high5 Ų543 Ų433%0.03422%0.215CC..  trans-138.589.6179.4-167.10000110.7F35 F44 I107 L113 F114F35-C111 HydrophobicContact CE1-CB 4.06Å; F44-C111 HydrophobicContact CD1-CB 3.99Å; F44-C111 WeakPolarHBondContact CD1-SG 3.43Å; F44-C111 HydrophobicContact CD2-CB 3.85Å; F44-C111 HydrophobicContact CE1-CB 3.78Å; F44-C111 HydrophobicContact CE2-CB 3.58Å; F44-C111 HydrophobicContact CG-CB 4.05Å; F44-C111 HydrophobicContact CZ-CB 3.57Å; I107-C111 CarbonylContact O-C 3.55Å; I107-C111 PolarHBondContact O-N 2.87Å; C111-L113 PolarHBondContact O-N 3.5Å; C111-F114 VanDerWaalsContact O-CB 3.27Å; C111-F114 WeakPolarHBondContact O-CB 3.18Å; C111-F114 PolarHBondContact O-N 3.45Å
112P87.6Confident90.6Very high85 Ų8543.3 Ų43.355%0.55222%0.218SC*.THydrogen-bonded Turntrans-58.1-21177.1-27.636.3000114.2F114 I115P112-F114 PolarHBondContact O-N 2.97Å; P112-I115 WeakPolarHBondContact O-CB 3.29Å; P112-I115 PolarHBondContact O-N 2.95Å
113L86.2Confident90Very high69 Ų6946.5 Ų46.536%0.36123%0.228SC..Hα-helixtrans-59.9-25.1173.4-65.7177.1000112.8F35 C111 I115 S116 Y117 W482F35-L113 HydrophobicContact CZ-CB 4.4Å; C111-L113 PolarHBondContact O-N 3.5Å; L113-I115 PolarHBondContact O-N 3.46Å; L113-S116 WeakPolarHBondContact O-CB 3.15Å; L113-S116 PolarHBondContact O-N 3.06Å; L113-S116 VanDerWaalsContact O-N 3.11Å; L113-Y117 PolarHBondContact O-N 3.15Å; L113-W482 HydrophobicContact CB-CZ2 4.11Å; L113-W482 HydrophobicContact CD1-CZ2 4.39Å
114F90.2Very high89.3Confident0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-59.6-32.4173.7179.1-120.6000112.4A32 F35 I104 I107 C111 P112 Y117 L118A32-F114 VanDerWaalsContact CA-CE2 3.42Å; A32-F114 HydrophobicContact CB-CE1 3.9Å; A32-F114 HydrophobicContact CB-CE2 3.94Å; A32-F114 HydrophobicContact CB-CZ 3.34Å; F35-F114 HydrophobicContact CB-CD2 3.77Å; F35-F114 HydrophobicContact CB-CE2 3.97Å; F35-F114 HydrophobicContact CD1-CB 4.07Å; F35-F114 AromaticContact CD1-CD2 3.78Å; F35-F114 HydrophobicContact CD1-CD2 3.78Å; F35-F114 HydrophobicContact CD1-CG 4.22Å; F35-F114 AromaticContact CD2-CD2 3.94Å; F35-F114 HydrophobicContact CD2-CD2 3.94Å; F35-F114 HydrophobicContact CE1-CB 3.82Å; F35-F114 HydrophobicContact CE1-CD2 4.36Å; F35-F114 HydrophobicContact CE1-CG 4.47Å; F35-F114 HydrophobicContact CE2-CB 4.42Å; F35-F114 HydrophobicContact CE2-CD2 4.47Å; F35-F114 HydrophobicContact CG-CB 4.49Å; F35-F114 AromaticContact CG-CD2 3.55Å; F35-F114 HydrophobicContact CG-CD2 3.55Å; F35-F114 HydrophobicContact CG-CE2 4.27Å; F35-F114 HydrophobicContact CG-CG 4.41Å; F35-F114 HydrophobicContact CZ-CB 4.01Å; I104-F114 HydrophobicContact CG2-CE1 4.41Å; I107-F114 HydrophobicContact CB-CD1 4.35Å; I107-F114 HydrophobicContact CG2-CB 3.76Å; I107-F114 HydrophobicContact CG2-CD1 3.5Å; I107-F114 HydrophobicContact CG2-CD2 4.17Å; I107-F114 HydrophobicContact CG2-CE1 4.13Å; I107-F114 HydrophobicContact CG2-CG 3.52Å; C111-F114 VanDerWaalsContact O-CB 3.27Å; C111-F114 WeakPolarHBondContact O-CB 3.18Å; C111-F114 PolarHBondContact O-N 3.45Å; P112-F114 PolarHBondContact O-N 2.97Å; F114-Y117 AromaticContact CD2-CD1 3.86Å; F114-Y117 HydrophobicContact CD2-CD1 3.86Å; F114-Y117 AromaticContact CE2-CD1 3.81Å; F114-Y117 HydrophobicContact CE2-CD1 3.81Å; F114-Y117 HydrophobicContact CE2-CE1 4.34Å; F114-Y117 WeakPolarHBondContact O-CB 3.42Å; F114-Y117 PolarHBondContact O-N 3.35Å; F114-L118 HydrophobicContact CD1-CD1 4.07Å; F114-L118 HydrophobicContact CD1-CG 4.42Å; F114-L118 HydrophobicContact CD2-CG 4.33Å; F114-L118 HydrophobicContact CE1-CD1 3.38Å; F114-L118 HydrophobicContact CE1-CD2 4.46Å; F114-L118 HydrophobicContact CE1-CG 3.85Å; F114-L118 HydrophobicContact CE2-CD1 4.21Å; F114-L118 HydrophobicContact CE2-CD2 3.95Å; F114-L118 HydrophobicContact CE2-CG 3.72Å; F114-L118 HydrophobicContact CZ-CD1 3.44Å; F114-L118 VanDerWaalsContact CZ-CD1 3.44Å; F114-L118 HydrophobicContact CZ-CD2 3.66Å; F114-L118 HydrophobicContact CZ-CG 3.44Å; F114-L118 VanDerWaalsContact CZ-CG 3.44Å; F114-L118 PolarHBondContact O-N 3.14Å
115I90.8Very high88.6Confident52 Ų5253.2 Ų53.227%0.26726%0.263SS..Hα-helixtrans-62.5-46.4175.3-62173.6000109.8P112 L113 Y117 L118 E119P112-I115 WeakPolarHBondContact O-CB 3.29Å; P112-I115 PolarHBondContact O-N 2.95Å; L113-I115 PolarHBondContact O-N 3.46Å; I115-Y117 VanDerWaalsContact C-N 3.29Å; I115-Y117 PolarHBondContact O-N 3.39Å; I115-L118 PolarHBondContact O-N 3.12Å; I115-E119 VanDerWaalsContact O-CG 3.3Å; I115-E119 WeakPolarHBondContact O-CG 3.47Å; I115-E119 PolarHBondContact O-N 2.82Å
116S87.6Confident87.5Confident36 Ų3651.1 Ų51.125%0.25226%0.259SS..Hα-helixtrans-64.5-34.3176.3-65.40000112.6L113 A120L113-S116 WeakPolarHBondContact O-CB 3.15Å; L113-S116 PolarHBondContact O-N 3.06Å; L113-S116 VanDerWaalsContact O-N 3.11Å; S116-A120 VanDerWaalsContact O-CB 3.3Å; S116-A120 WeakPolarHBondContact O-CB 3.23Å; S116-A120 PolarHBondContact O-N 3.14Å
117Y88.6Confident85.9Confident36 Ų3648.6 Ų48.614%0.14126%0.255CS..Hα-helixtrans-64.4-48.6174.1175.4-100.9000111.9L31 F35 L113 F114 I115 E119 A120 Y121 W482L31-Y117 HydrophobicContact CB-CE1 4.19Å; L31-Y117 HydrophobicContact CD2-CE1 4.08Å; F35-Y117 HydrophobicContact CB-CD1 4.24Å; F35-Y117 HydrophobicContact CB-CE1 4.15Å; F35-Y117 AromaticContact CD2-CD1 3.87Å; F35-Y117 HydrophobicContact CD2-CD1 3.87Å; F35-Y117 HydrophobicContact CD2-CD2 4.18Å; F35-Y117 HydrophobicContact CD2-CE1 4.39Å; F35-Y117 AromaticContact CD2-CG 3.75Å; F35-Y117 HydrophobicContact CD2-CG 3.75Å; F35-Y117 HydrophobicContact CE2-CG 4.27Å; F35-Y117 HydrophobicContact CG-CD1 4.41Å; L113-Y117 PolarHBondContact O-N 3.15Å; F114-Y117 AromaticContact CD2-CD1 3.86Å; F114-Y117 HydrophobicContact CD2-CD1 3.86Å; F114-Y117 AromaticContact CE2-CD1 3.81Å; F114-Y117 HydrophobicContact CE2-CD1 3.81Å; F114-Y117 HydrophobicContact CE2-CE1 4.34Å; F114-Y117 WeakPolarHBondContact O-CB 3.42Å; F114-Y117 PolarHBondContact O-N 3.35Å; I115-Y117 VanDerWaalsContact C-N 3.29Å; I115-Y117 PolarHBondContact O-N 3.39Å; Y117-E119 PolarHBondContact O-N 2.9Å; Y117-A120 PolarHBondContact O-N 3.17Å; Y117-Y121 PolarHBondContact O-N 3.39Å; Y117-W482 HydrophobicContact CD2-CB 4.25Å; Y117-W482 AromaticContact CD2-CD2 3.94Å; Y117-W482 HydrophobicContact CD2-CD2 3.94Å; Y117-W482 AromaticContact CD2-CE3 3.5Å; Y117-W482 HydrophobicContact CD2-CE3 3.5Å; Y117-W482 VanDerWaalsContact CD2-CE3 3.5Å; Y117-W482 HydrophobicContact CD2-CG 4.27Å; Y117-W482 HydrophobicContact CD2-CZ3 4.19Å; Y117-W482 HydrophobicContact CE2-CE3 4.25Å; Y117-W482 HydrophobicContact CG-CD2 4.47Å; Y117-W482 HydrophobicContact CG-CE3 4.34Å
118L90.7Very high84.2Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-61.8-43.5176.1-77.8-179.8000112.4Y21 I28 L31 F114 I115 A120 Y121 S122Y21-L118 HydrophobicContact CD1-CB 3.96Å; Y21-L118 HydrophobicContact CD2-CD1 4.44Å; Y21-L118 HydrophobicContact CE1-CB 3.8Å; Y21-L118 HydrophobicContact CE1-CD1 4.39Å; Y21-L118 HydrophobicContact CE2-CD1 4.15Å; I28-L118 HydrophobicContact CG2-CD1 4.04Å; I28-L118 HydrophobicContact CG2-CD2 4.21Å; L31-L118 HydrophobicContact CB-CD2 3.95Å; L31-L118 HydrophobicContact CD1-CD2 3.81Å; F114-L118 HydrophobicContact CD1-CD1 4.07Å; F114-L118 HydrophobicContact CD1-CG 4.42Å; F114-L118 HydrophobicContact CD2-CG 4.33Å; F114-L118 HydrophobicContact CE1-CD1 3.38Å; F114-L118 HydrophobicContact CE1-CD2 4.46Å; F114-L118 HydrophobicContact CE1-CG 3.85Å; F114-L118 HydrophobicContact CE2-CD1 4.21Å; F114-L118 HydrophobicContact CE2-CD2 3.95Å; F114-L118 HydrophobicContact CE2-CG 3.72Å; F114-L118 HydrophobicContact CZ-CD1 3.44Å; F114-L118 VanDerWaalsContact CZ-CD1 3.44Å; F114-L118 HydrophobicContact CZ-CD2 3.66Å; F114-L118 HydrophobicContact CZ-CG 3.44Å; F114-L118 VanDerWaalsContact CZ-CG 3.44Å; F114-L118 PolarHBondContact O-N 3.14Å; I115-L118 PolarHBondContact O-N 3.12Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.1Å; L118-Y121 PolarHBondContact O-N 3.32Å; L118-S122 WeakPolarHBondContact O-CB 3.24Å; L118-S122 PolarHBondContact O-N 3.26Å; L118-S122 PolarHBondContact O-OG 2.93Å
119E88.9Confident82.4Confident77 Ų7753.2 Ų53.236%0.3629%0.287SS..Hα-helixtrans-61.9-42.4177.3-72.8174.4178.700111.8Y21 I115 Y117 R123Y21-E119 HydrophobicContact CE1-CG 3.91Å; I115-E119 VanDerWaalsContact O-CG 3.3Å; I115-E119 WeakPolarHBondContact O-CG 3.47Å; I115-E119 PolarHBondContact O-N 2.82Å; Y117-E119 PolarHBondContact O-N 2.9Å; E119-R123 WeakPolarHBondContact O-CG 3.28Å; E119-R123 PolarHBondContact O-N 3.34Å; E119-R123 VanDerWaalsContact O-N 3.13Å
120A86.8Confident80.6Confident8 Ų852.2 Ų52.27%0.06629%0.286CS..Hα-helixtrans-63.2-44.7176.500000111.6S116 Y117 L118 R123 S124 W482 R483S116-A120 VanDerWaalsContact O-CB 3.3Å; S116-A120 WeakPolarHBondContact O-CB 3.23Å; S116-A120 PolarHBondContact O-N 3.14Å; Y117-A120 PolarHBondContact O-N 3.17Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.1Å; A120-R123 PolarHBondContact O-N 3.13Å; A120-S124 PolarHBondContact O-N 3.46Å; A120-W482 HydrophobicContact CB-CB 3.99Å; A120-R483 HydrophobicContact CB-CG 3.65Å
121Y88Confident78.7Confident87 Ų8753.9 Ų53.934%0.34130%0.295SS..Hα-helixtrans-62.9-47.4177.4-173-86.2000111.9L23 E27 L31 Y117 L118 R123 S124 K125L23-Y121 HydrophobicContact CD1-CD1 3.87Å; L23-Y121 HydrophobicContact CD1-CE1 4.32Å; L23-Y121 HydrophobicContact CD2-CD1 4.35Å; L23-Y121 HydrophobicContact CD2-CE1 4.28Å; E27-Y121 WeakPolarHBondContact OE1-CE1 3.29Å; E27-Y121 PolarHBondContact OE1-OH 2.94Å; L31-Y121 HydrophobicContact CD1-CD1 3.46Å; L31-Y121 VanDerWaalsContact CD1-CD1 3.46Å; L31-Y121 HydrophobicContact CD1-CD2 4.35Å; L31-Y121 HydrophobicContact CD1-CE1 3.7Å; L31-Y121 HydrophobicContact CD1-CG 3.81Å; L31-Y121 HydrophobicContact CD2-CD1 4.24Å; L31-Y121 HydrophobicContact CD2-CD2 3.64Å; L31-Y121 HydrophobicContact CD2-CE1 4.26Å; L31-Y121 HydrophobicContact CD2-CE2 3.66Å; L31-Y121 HydrophobicContact CD2-CG 3.94Å; L31-Y121 HydrophobicContact CG-CD1 4.48Å; L31-Y121 HydrophobicContact CG-CE1 4.49Å; Y117-Y121 PolarHBondContact O-N 3.39Å; L118-Y121 PolarHBondContact O-N 3.32Å; Y121-R123 VanDerWaalsContact C-N 3.26Å; Y121-R123 PolarHBondContact O-N 3.03Å; Y121-S124 PolarHBondContact O-N 2.68Å; Y121-K125 HydrophobicContact CE1-CD 4.15Å; Y121-K125 PolarHBondContact O-N 3.45Å
122S88.3Confident76.6Confident22 Ų2259.8 Ų59.815%0.15432%0.321CS..Hα-helixtrans-58.3-39.2-179.6-54.90000111.8Y21 L23 L118 G126Y21-S122 WeakPolarHBondContact O-CB 3.17Å; Y21-S122 PolarHBondContact O-OG 3.26Å; L23-S122 WeakPolarHBondContact CD1-OG 3.47Å; L118-S122 WeakPolarHBondContact O-CB 3.24Å; L118-S122 PolarHBondContact O-N 3.26Å; L118-S122 PolarHBondContact O-OG 2.93Å; S122-G126 PolarHBondContact O-N 3.3Å; S122-G126 VanDerWaalsContact O-N 3.11Å
123R83.2Confident74.8Confident129 Ų12958.9 Ų58.949%0.48732%0.316SS..Hα-helixtrans-69.5-47.1175.5-75.1175171.2-131.4-0.6112.6E119 A120 Y121 K125 G126 S127 Y393E119-R123 WeakPolarHBondContact O-CG 3.28Å; E119-R123 PolarHBondContact O-N 3.34Å; E119-R123 VanDerWaalsContact O-N 3.13Å; A120-R123 PolarHBondContact O-N 3.13Å; Y121-R123 VanDerWaalsContact C-N 3.26Å; Y121-R123 PolarHBondContact O-N 3.03Å; R123-K125 PolarHBondContact O-N 3.29Å; R123-G126 PolarHBondContact O-N 3.2Å; R123-G126 VanDerWaalsContact O-N 3.09Å; R123-S127 PolarHBondContact O-N 2.86Å; R123-Y393 WeakPolarHBondContact CD-OH 3.14Å; R123-Y393 PolarHBondContact NH1-OH 3.41Å
124S81.2Confident72.8Confident47 Ų4762.1 Ų62.133%0.32933%0.327SS..Hα-helixtrans-58.5-37.8178-174.20000111.6A120 Y121 V128A120-S124 PolarHBondContact O-N 3.46Å; Y121-S124 PolarHBondContact O-N 2.68Å; S124-V128 WeakPolarHBondContact O-CG2 3.32Å; S124-V128 PolarHBondContact O-N 3.47Å
125K80.8Confident70.5Confident94 Ų9469 Ų6941%0.40936%0.36SS..Hα-helixtrans-70.5-38176.5-168.1174.8-179.3171.40112.2L23 E27 Y121 R123 V128 A129L23-K125 HydrophobicContact CD2-CD 3.6Å; E27-K125 IonicContact OE1-NZ 3.64Å; E27-K125 PolarHBondContact OE1-NZ 3.02Å; E27-K125 IonicContact OE2-NZ 2.75Å; E27-K125 PolarHBondContact OE2-NZ 3.43Å; Y121-K125 HydrophobicContact CE1-CD 4.15Å; Y121-K125 PolarHBondContact O-N 3.45Å; R123-K125 PolarHBondContact O-N 3.29Å; K125-V128 PolarHBondContact O-N 3.1Å; K125-A129 PolarHBondContact O-N 2.69Å
126G71.9Confident68Low30 Ų3071.8 Ų71.831%0.30938%0.379SS..Hα-helixtrans-62-44.8175.200000113.3S122 R123 V128 A129 D130S122-G126 PolarHBondContact O-N 3.3Å; S122-G126 VanDerWaalsContact O-N 3.11Å; R123-G126 PolarHBondContact O-N 3.2Å; R123-G126 VanDerWaalsContact O-N 3.09Å; G126-V128 VanDerWaalsContact C-N 3.31Å; G126-V128 PolarHBondContact O-N 3.3Å; G126-A129 PolarHBondContact O-N 2.96Å; G126-A129 VanDerWaalsContact O-N 3.12Å; G126-D130 PolarHBondContact O-N 2.85Å
127S61.2Low65.3Low36 Ų3676.8 Ų76.825%0.25240%0.403SS..Hα-helixtrans-59.4-40.2177.1172.10000112.4R123 D130 L131R123-S127 PolarHBondContact O-N 2.86Å; S127-D130 PolarHBondContact O-N 3.42Å; S127-L131 PolarHBondContact O-N 3.41Å
128V56.8Low63Low70 Ų7081.4 Ų81.442%0.42444%0.435SS..Hα-helixtrans-66.7-40.2174.6175.60000111.6S124 K125 G126 D130 L131 F132S124-V128 WeakPolarHBondContact O-CG2 3.32Å; S124-V128 PolarHBondContact O-N 3.47Å; K125-V128 PolarHBondContact O-N 3.1Å; G126-V128 VanDerWaalsContact C-N 3.31Å; G126-V128 PolarHBondContact O-N 3.3Å; V128-D130 PolarHBondContact O-N 3.31Å; V128-L131 WeakPolarHBondContact O-CB 3.42Å; V128-L131 PolarHBondContact O-N 3.36Å; V128-F132 HydrophobicContact CG1-CD2 3.72Å; V128-F132 HydrophobicContact CG1-CE2 3.41Å; V128-F132 VanDerWaalsContact CG1-CE2 3.41Å; V128-F132 WeakPolarHBondContact O-CD2 3.09Å; V128-F132 PolarHBondContact O-N 2.91Å; V128-F132 VanDerWaalsContact O-N 3.17Å
129A53.8Low60.2Low49 Ų4986.6 Ų86.641%0.40547%0.471SS..Hα-helixtrans-66.7-34.9177.700000113K125 G126 S133K125-A129 PolarHBondContact O-N 2.69Å; G126-A129 PolarHBondContact O-N 2.96Å; G126-A129 VanDerWaalsContact O-N 3.12Å; A129-S133 WeakPolarHBondContact O-CB 3.35Å; A129-S133 PolarHBondContact O-N 2.84Å; A129-S133 PolarHBondContact O-OG 3.47Å
130D52.2Low57.4Low119 Ų11988.1 Ų88.164%0.63649%0.49SS*.Hα-helixtrans-68.3-35.9174.6-78-17.6000111.8G126 S127 V128 S133 K134G126-D130 PolarHBondContact O-N 2.85Å; S127-D130 PolarHBondContact O-N 3.42Å; V128-D130 PolarHBondContact O-N 3.31Å; D130-S133 PolarHBondContact O-N 2.85Å; D130-K134 PolarHBondContact O-N 2.85Å
131L49.4Very low54.6Low81 Ų8192.3 Ų92.342%0.42452%0.519SS..Hα-helixtrans-60.5-51.1172.1-79.5157.6000111.5S127 V128 S133 K134 E135 T356S127-L131 PolarHBondContact O-N 3.41Å; V128-L131 WeakPolarHBondContact O-CB 3.42Å; V128-L131 PolarHBondContact O-N 3.36Å; L131-S133 PolarHBondContact O-N 2.88Å; L131-K134 PolarHBondContact O-N 2.97Å; L131-E135 PolarHBondContact O-N 2.97Å; L131-T356 HydrophobicContact CD2-CG2 4.02Å
132F43.6Very low52Low129 Ų12995.4 Ų95.457%0.56654%0.542SS*.Hα-helixtrans-66.9-31.8178.6-74.4-65.4000113.9V128 K134 E135 T136V128-F132 HydrophobicContact CG1-CD2 3.72Å; V128-F132 HydrophobicContact CG1-CE2 3.41Å; V128-F132 VanDerWaalsContact CG1-CE2 3.41Å; V128-F132 WeakPolarHBondContact O-CD2 3.09Å; V128-F132 PolarHBondContact O-N 2.91Å; V128-F132 VanDerWaalsContact O-N 3.17Å; F132-K134 PolarHBondContact O-N 2.97Å; F132-E135 PolarHBondContact O-N 2.99Å; F132-T136 PolarHBondContact O-N 3.18Å; F132-T136 PolarHBondContact O-OG1 2.86Å
133S50.8Low49Very low66 Ų66102.5 Ų102.546%0.46257%0.572SS.*Hα-helixtrans-70.8-23.6176.9-59.30000112.3A129 D130 L131 T136A129-S133 WeakPolarHBondContact O-CB 3.35Å; A129-S133 PolarHBondContact O-N 2.84Å; A129-S133 PolarHBondContact O-OG 3.47Å; D130-S133 PolarHBondContact O-N 2.85Å; L131-S133 PolarHBondContact O-N 2.88Å; S133-T136 PolarHBondContact O-OG1 2.87Å
134K43.1Very low46.4Very low136 Ų136101.9 Ų101.959%0.59159%0.585SS**Hα-helixtrans-80.8-33.2177.2-139.8174.2-178.1-173.80112.1D130 L131 F132 T136D130-K134 PolarHBondContact O-N 2.85Å; L131-K134 PolarHBondContact O-N 2.97Å; F132-K134 PolarHBondContact O-N 2.97Å; K134-T136 VanDerWaalsContact C-N 3.33Å; K134-T136 PolarHBondContact O-N 2.85Å
135E43.7Very low44Very low145 Ų145105.7 Ų105.768%0.67861%0.607SS**Hα-helixtrans-69.6-27.6174.9-71-179.8167.600113.2L131 F132L131-E135 PolarHBondContact O-N 2.97Å; F132-E135 PolarHBondContact O-N 2.99Å
136T36.8Very low41.5Very low110 Ų110104.1 Ų104.168%0.67562%0.617SS**THydrogen-bonded Turntrans-90.6-7.4-174.741.40000115.3F132 S133 K134F132-T136 PolarHBondContact O-N 3.18Å; F132-T136 PolarHBondContact O-OG1 2.86Å; S133-T136 PolarHBondContact O-OG1 2.87Å; K134-T136 VanDerWaalsContact C-N 3.33Å; K134-T136 PolarHBondContact O-N 2.85Å
137N32.1Very low39.6Very low142 Ų142109.3 Ų109.376%0.75964%0.643SS**THydrogen-bonded Turntrans-107.210.2-178.8-100.9-47.8000115.4S139N137-S139 PolarHBondContact O-N 3.03Å
138V39.7Very low38.4Very low132 Ų132114.5 Ų114.580%0.867%0.666SS**  trans-100.461.2169.5-166.70000109.7
139S31.2Very low37.4Very low109 Ų109117.4 Ų117.476%0.76268%0.679SS**  trans-158.278.9165.5-142.30000110.8N137N137-S139 PolarHBondContact O-N 3.03Å
140S30.7Very low36.9Very low109 Ų109120.9 Ų120.976%0.76269%0.691SS**  trans176.1121.4143360000111.9
141S28.8Very low36.3Very low97 Ų97116.5 Ų116.568%0.67867%0.674SS**  trans50.9103.4144.556.20000119
142D33.3Very low36Very low152 Ų152120.5 Ų120.581%0.81369%0.69SS**  -173.3125.890.4-87.7-29.2000110.2
143E24Very low36.2Very low170 Ų170119.5 Ų119.579%0.79469%0.687SS**  trans-58.7140.4160.1-83.7-164.1134.100109.3
144P30.2Very low35.9Very low117 Ų117120.1 Ų120.176%0.7669%0.692SS**  -124.9129.2112.233.1-26.5000111G146P144-G146 PolarHBondContact O-N 2.96Å
145T29.3Very low36.1Very low127 Ų127115.8 Ų115.878%0.77968%0.678SS**  trans-43.5107.615845.50000111.1
146G29.4Very low36.4Very low61 Ų61112.9 Ų112.963%0.62966%0.664SS**  trans-155.3113.1171.300000107.8P144 I148P144-G146 PolarHBondContact O-N 2.96Å; G146-I148 PolarHBondContact O-N 2.97Å
147T31.6Very low37.3Very low139 Ų139108.6 Ų108.685%0.85364%0.636SS**  trans-22.7124.2168.8-46.50000111.8D149T147-D149 PolarHBondContact O-N 2.86Å
148I36.5Very low38.5Very low144 Ų144107.6 Ų107.674%0.73863%0.63SS**  trans-55.890.4174.7-57.4176.3000107.6G146 N150G146-I148 PolarHBondContact O-N 2.97Å; I148-N150 WeakPolarHBondContact CG2-OD1 3.28Å; I148-N150 PolarHBondContact O-N 2.69Å; I148-N150 VanDerWaalsContact O-N 3.13Å
149D34.8Very low39.6Very low131 Ų131108.2 Ų108.270%0.70162%0.622SS**  trans-76.899.3172.1-1734.7000105.6T147 G151T147-D149 PolarHBondContact O-N 2.86Å; D149-G151 PolarHBondContact O-N 2.9Å; D149-G151 PolarHBondContact OD1-N 3.23Å
150N43Very low41.5Very low123 Ų123104.9 Ų104.966%0.65860%0.596SS**THydrogen-bonded Turntrans-62.312.1174.9-66-47.1000113I148I148-N150 WeakPolarHBondContact CG2-OD1 3.28Å; I148-N150 PolarHBondContact O-N 2.69Å; I148-N150 VanDerWaalsContact O-N 3.13Å
151G39.4Very low43.7Very low26 Ų26103.8 Ų103.827%0.26858%0.579SS.*Hα-helixtrans-78.7-23.3-176.400000116D149 Q153 C155D149-G151 PolarHBondContact O-N 2.9Å; D149-G151 PolarHBondContact OD1-N 3.23Å; G151-Q153 PolarHBondContact O-N 3.37Å; G151-C155 WeakPolarHBondContact O-CB 3.29Å; G151-C155 PolarHBondContact O-N 3.16Å
152E44.6Very low45.9Very low165 Ų165103.3 Ų103.377%0.77158%0.575SS**Hα-helixtrans-68.4-37.8-168.5-69.9-167.615300114.5C155 F156E152-C155 WeakPolarHBondContact O-CB 3.1Å; E152-C155 PolarHBondContact O-N 3.05Å; E152-F156 PolarHBondContact O-N 2.95Å
153Q46.6Very low48.1Very low108 Ų108102.4 Ų102.451%0.50557%0.566SS.*Hα-helixtrans-80.2-38.5-179.5-67.4-179.2500112.6G151 C155 F156G151-Q153 PolarHBondContact O-N 3.37Å; Q153-C155 PolarHBondContact O-N 3.17Å; Q153-F156 PolarHBondContact O-N 3.45Å
154S44.3Very low50.6Low79 Ų7995.3 Ų95.355%0.55253%0.533SS*.Hα-helixtrans-60.8-34.4168.2-970000111.2L158S154-L158 WeakPolarHBondContact O-CD1 3.35Å; S154-L158 VanDerWaalsContact O-CG 3.26Å; S154-L158 WeakPolarHBondContact O-CG 3.22Å; S154-L158 PolarHBondContact O-N 3.01Å
155C47.3Very low53.2Low46 Ų4693 Ų9331%0.31151%0.51SS..Hα-helixtrans-67.9-32.1176.5-1720000112.7G151 E152 Q153 K159G151-C155 WeakPolarHBondContact O-CB 3.29Å; G151-C155 PolarHBondContact O-N 3.16Å; E152-C155 WeakPolarHBondContact O-CB 3.1Å; E152-C155 PolarHBondContact O-N 3.05Å; Q153-C155 PolarHBondContact O-N 3.17Å; C155-K159 VanDerWaalsContact O-CB 3.25Å; C155-K159 WeakPolarHBondContact O-CB 3.22Å; C155-K159 WeakPolarHBondContact O-CD 3.48Å; C155-K159 WeakPolarHBondContact O-CG 3.24Å; C155-K159 PolarHBondContact O-N 2.92Å; C155-K159 WeakPolarHBondContact SG-CE 3.41Å; C155-K159 PolarHBondContact SG-NZ 2.92Å
156F50.9Low55.7Low84 Ų8489.8 Ų89.837%0.36850%0.496SS..Hα-helixtrans-68.3-46.8-178.5-177.7-96000113.5E152 Q153 L158 K159 N160E152-F156 PolarHBondContact O-N 2.95Å; Q153-F156 PolarHBondContact O-N 3.45Å; F156-L158 VanDerWaalsContact C-N 3.3Å; F156-L158 PolarHBondContact O-N 3Å; F156-K159 WeakPolarHBondContact O-CB 3.48Å; F156-K159 PolarHBondContact O-N 3.3Å; F156-N160 WeakPolarHBondContact CE1-ND2 3.48Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.45Å; F156-N160 WeakPolarHBondContact CZ-ND2 3.5Å; F156-N160 PolarHBondContact O-N 3.28Å; F156-N160 VanDerWaalsContact O-N 3.1Å
157I56.7Low58.2Low20 Ų2089.8 Ų89.810%0.10349%0.49CS..Hα-helixtrans-63.4-40.4176.4-61.5-63.7000110.5K159 N160 E161 I164 M207 I210 Y214I157-K159 VanDerWaalsContact C-N 3.34Å; I157-N160 PolarHBondContact O-N 3.38Å; I157-E161 PolarHBondContact O-N 3.42Å; I157-E161 VanDerWaalsContact O-N 3.11Å; I157-I164 HydrophobicContact CD1-CD1 4.44Å; I157-M207 HydrophobicContact CG2-CE 4.28Å; I157-M207 HydrophobicContact CG2-SD 3.38Å; I157-M207 WeakPolarHBondContact CG2-SD 3.34Å; I157-I210 HydrophobicContact CD1-CG2 3.88Å; I157-I210 HydrophobicContact CG1-CG2 4.37Å; I157-Y214 HydrophobicContact CD1-CE2 4.39Å
158L55.8Low60.7Low120 Ų12083.5 Ų83.563%0.62845%0.451SS*.Hα-helixtrans-67-33175.1-67.4172.9000112.6S154 F156S154-L158 WeakPolarHBondContact O-CD1 3.35Å; S154-L158 VanDerWaalsContact O-CG 3.26Å; S154-L158 WeakPolarHBondContact O-CG 3.22Å; S154-L158 PolarHBondContact O-N 3.01Å; F156-L158 VanDerWaalsContact C-N 3.3Å; F156-L158 PolarHBondContact O-N 3Å
159K63.7Low63.2Low146 Ų14678.2 Ų78.264%0.63543%0.425SS*.Hα-helixtrans-67.9-35.6176.6-84.2165.6170.7159.80112.4C155 F156 I157C155-K159 VanDerWaalsContact O-CB 3.25Å; C155-K159 WeakPolarHBondContact O-CB 3.22Å; C155-K159 WeakPolarHBondContact O-CD 3.48Å; C155-K159 WeakPolarHBondContact O-CG 3.24Å; C155-K159 PolarHBondContact O-N 2.92Å; C155-K159 WeakPolarHBondContact SG-CE 3.41Å; C155-K159 PolarHBondContact SG-NZ 2.92Å; F156-K159 WeakPolarHBondContact O-CB 3.48Å; F156-K159 PolarHBondContact O-N 3.3Å; I157-K159 VanDerWaalsContact C-N 3.34Å
160N69.8Low65.6Low39 Ų3975.2 Ų75.221%0.20942%0.418CS..SBendtrans-103.39.9-175.2-63.3-10.7000113.5F156 I157 S162 E163 I164F156-N160 WeakPolarHBondContact CE1-ND2 3.48Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.45Å; F156-N160 WeakPolarHBondContact CZ-ND2 3.5Å; F156-N160 PolarHBondContact O-N 3.28Å; F156-N160 VanDerWaalsContact O-N 3.1Å; I157-N160 PolarHBondContact O-N 3.38Å; N160-S162 VanDerWaalsContact C-N 3.27Å; N160-S162 PolarHBondContact O-N 3Å; N160-S162 VanDerWaalsContact O-N 3.17Å; N160-E163 PolarHBondContact O-N 3.48Å; N160-I164 HydrophobicContact CB-CD1 4.14Å; N160-I164 HydrophobicContact CB-CG1 4.41Å; N160-I164 WeakPolarHBondContact O-CG1 3.09Å; N160-I164 PolarHBondContact O-N 3.49Å
161E77.3Confident67.5Low85 Ų8572.9 Ų72.940%0.39740%0.403SS..Hα-helixtrans-48.3-47.3-176.3166.8171.2-179.300112.7I157 E163 I164 R165 F203I157-E161 PolarHBondContact O-N 3.42Å; I157-E161 VanDerWaalsContact O-N 3.11Å; E161-E163 VanDerWaalsContact C-N 3.34Å; E161-E163 PolarHBondContact O-N 3.47Å; E161-I164 PolarHBondContact O-N 3.34Å; E161-R165 VanDerWaalsContact O-CB 3.24Å; E161-R165 WeakPolarHBondContact O-CB 3.35Å; E161-R165 PolarHBondContact O-N 3.01Å; E161-F203 HydrophobicContact CG-CE1 4.45Å; E161-F203 HydrophobicContact CG-CE2 4.43Å; E161-F203 HydrophobicContact CG-CZ 3.75Å
162S76Confident69.8Low87 Ų8771.9 Ų71.961%0.60839%0.392SS*.Hα-helixtrans-64.4-38-177.5550000113.1N160 A166N160-S162 VanDerWaalsContact C-N 3.27Å; N160-S162 PolarHBondContact O-N 3Å; N160-S162 VanDerWaalsContact O-N 3.17Å; S162-A166 WeakPolarHBondContact O-CB 3.43Å; S162-A166 PolarHBondContact O-N 3.03Å
163E78.5Confident72Confident133 Ų13369.9 Ų69.962%0.62138%0.382SS*.Hα-helixtrans-72.1-44.5179.6-64.9-178.8-177.200110.6N160 E161 R165 A166 A167N160-E163 PolarHBondContact O-N 3.48Å; E161-E163 VanDerWaalsContact C-N 3.34Å; E161-E163 PolarHBondContact O-N 3.47Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 3.33Å; E163-A166 PolarHBondContact O-N 3.33Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 3.46Å
164I76.3Confident74Confident21 Ų2169.1 Ų69.111%0.10839%0.389CS..Hα-helixtrans-60.2-45.1176-64.3167000110.1I157 N160 E161 A167 L168 F203 Y206 M207I157-I164 HydrophobicContact CD1-CD1 4.44Å; N160-I164 HydrophobicContact CB-CD1 4.14Å; N160-I164 HydrophobicContact CB-CG1 4.41Å; N160-I164 WeakPolarHBondContact O-CG1 3.09Å; N160-I164 PolarHBondContact O-N 3.49Å; E161-I164 PolarHBondContact O-N 3.34Å; I164-A167 PolarHBondContact O-N 3.4Å; I164-L168 HydrophobicContact CG2-CD1 3.65Å; I164-L168 HydrophobicContact CG2-CG 4.29Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 VanDerWaalsContact O-CG 3.25Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.4Å; I164-F203 HydrophobicContact CG2-CE2 4.16Å; I164-Y206 HydrophobicContact CG2-CD1 4.18Å; I164-Y206 HydrophobicContact CG2-CE1 3.82Å; I164-M207 HydrophobicContact CD1-CE 4.31Å; I164-M207 HydrophobicContact CG2-CE 3.63Å
165R85.8Confident76Confident69 Ų6970.9 Ų70.926%0.2639%0.388SS..Hα-helixtrans-63.7-43.4178.5-166.1175-177.4104.62.4111.8E161 E163 N169 D200 F203E161-R165 VanDerWaalsContact O-CB 3.24Å; E161-R165 WeakPolarHBondContact O-CB 3.35Å; E161-R165 PolarHBondContact O-N 3.01Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 3.33Å; R165-N169 VanDerWaalsContact O-CB 3.23Å; R165-N169 WeakPolarHBondContact O-CB 3.23Å; R165-N169 PolarHBondContact O-N 2.99Å; R165-N169 PolarHBondContact O-OD1 2.93Å; R165-D200 IonicContact CZ-OD1 2.62Å; R165-D200 IonicContact NH1-OD1 2.72Å; R165-D200 PolarHBondContact NH1-OD1 3.22Å; R165-D200 IonicContact NH2-OD1 2.78Å; R165-D200 PolarHBondContact NH2-OD1 2.6Å; R165-F203 HydrophobicContact CB-CD2 3.97Å; R165-F203 HydrophobicContact CB-CE2 4.01Å; R165-F203 HydrophobicContact CG-CD2 4.07Å; R165-F203 HydrophobicContact CG-CE2 4.5Å; R165-F203 HydrophobicContact CG-CG 4.43Å
166A82.3Confident78.3Confident60 Ų6070 Ų7050%0.49638%0.379SS..Hα-helixtrans-62.6-44176.800000112S162 E163 N169 A170S162-A166 WeakPolarHBondContact O-CB 3.43Å; S162-A166 PolarHBondContact O-N 3.03Å; E163-A166 PolarHBondContact O-N 3.33Å; A166-N169 PolarHBondContact O-N 3.04Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.83Å
167A81.7Confident80.3Confident61 Ų6169.9 Ų69.950%0.50438%0.38SS..Hα-helixtrans-63.3-48.3177.800000111.9E163 I164 N169 A170 Q171E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 3.46Å; I164-A167 PolarHBondContact O-N 3.4Å; A167-N169 VanDerWaalsContact C-N 3.31Å; A167-N169 PolarHBondContact O-N 3.38Å; A167-A170 PolarHBondContact O-N 2.96Å; A167-Q171 WeakPolarHBondContact O-CB 3.42Å; A167-Q171 PolarHBondContact O-N 3.31Å
168L83.1Confident82Confident6 Ų672.5 Ų72.53%0.03140%0.4CS..Hα-helixtrans-62.5-38.5177.3-69.9167000111.9I164 Q171 T172 F203 Y206I164-L168 HydrophobicContact CG2-CD1 3.65Å; I164-L168 HydrophobicContact CG2-CG 4.29Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 VanDerWaalsContact O-CG 3.25Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.4Å; L168-Q171 PolarHBondContact O-N 3.42Å; L168-T172 WeakPolarHBondContact O-CB 3.38Å; L168-T172 WeakPolarHBondContact O-CG2 3.46Å; L168-T172 PolarHBondContact O-N 2.94Å; L168-T172 PolarHBondContact O-OG1 3.41Å; L168-F203 HydrophobicContact CD1-CD2 3.97Å; L168-Y206 HydrophobicContact CD1-CD1 3.47Å; L168-Y206 VanDerWaalsContact CD1-CD1 3.47Å; L168-Y206 HydrophobicContact CD1-CE1 3.95Å; L168-Y206 HydrophobicContact CD1-CG 3.93Å; L168-Y206 HydrophobicContact CD2-CD1 4.15Å; L168-Y206 HydrophobicContact CD2-CD2 4.18Å; L168-Y206 HydrophobicContact CD2-CE1 4.24Å; L168-Y206 HydrophobicContact CD2-CE2 4.27Å; L168-Y206 HydrophobicContact CD2-CG 4.1Å; L168-Y206 HydrophobicContact CG-CD1 4.36Å
169N88.6Confident83.6Confident34 Ų3472.1 Ų72.118%0.18239%0.391CS..Hα-helixtrans-66.3-45.4177.5-74.7-0.7000111.9R165 A166 A167 Q171 T172 E173 Q199R165-N169 VanDerWaalsContact O-CB 3.23Å; R165-N169 WeakPolarHBondContact O-CB 3.23Å; R165-N169 PolarHBondContact O-N 2.99Å; R165-N169 PolarHBondContact O-OD1 2.93Å; A166-N169 PolarHBondContact O-N 3.04Å; A167-N169 VanDerWaalsContact C-N 3.31Å; A167-N169 PolarHBondContact O-N 3.38Å; N169-Q171 VanDerWaalsContact C-N 3.27Å; N169-Q171 PolarHBondContact O-N 3.46Å; N169-T172 PolarHBondContact O-N 2.7Å; N169-T172 PolarHBondContact O-OG1 3.41Å; N169-E173 WeakPolarHBondContact O-CB 3.43Å; N169-E173 PolarHBondContact O-N 2.79Å; N169-Q199 VanDerWaalsContact CG-CD 3.41Å; N169-Q199 PolarHBondContact ND2-OE1 3.19Å; N169-Q199 VanDerWaalsContact OD1-CB 3.3Å; N169-Q199 WeakPolarHBondContact OD1-CB 3.43Å; N169-Q199 WeakPolarHBondContact OD1-CG 3.48Å
170A86.5Confident85Confident68 Ų6865.2 Ų65.256%0.56236%0.361SS*.Hα-helixtrans-61.6-38.2177.500000111.7A166 A167A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.83Å; A167-A170 PolarHBondContact O-N 2.96Å
171Q83.1Confident86.2Confident74 Ų7465.4 Ų65.435%0.34637%0.366SS..Hα-helixtrans-70.4-35.9179.3-166.5-152.8-46.800112.8A167 L168 N169 W343A167-Q171 WeakPolarHBondContact O-CB 3.42Å; A167-Q171 PolarHBondContact O-N 3.31Å; L168-Q171 PolarHBondContact O-N 3.42Å; N169-Q171 VanDerWaalsContact C-N 3.27Å; N169-Q171 PolarHBondContact O-N 3.46Å; Q171-W343 HydrophobicContact CG-CB 4.48Å; Q171-W343 VanDerWaalsContact OE1-CB 3.29Å
172T87.1Confident87Confident5 Ų568 Ų683%0.03138%0.381CS..Hα-helixtrans-94.2-6.8-176.554.50000114.1L168 N169 S174 Q175 F176L168-T172 WeakPolarHBondContact O-CB 3.38Å; L168-T172 WeakPolarHBondContact O-CG2 3.46Å; L168-T172 PolarHBondContact O-N 2.94Å; L168-T172 PolarHBondContact O-OG1 3.41Å; N169-T172 PolarHBondContact O-N 2.7Å; N169-T172 PolarHBondContact O-OG1 3.41Å; T172-S174 PolarHBondContact O-N 2.96Å; T172-Q175 PolarHBondContact O-N 3.39Å; T172-F176 HydrophobicContact CG2-CE2 3.95Å; T172-F176 HydrophobicContact CG2-CZ 3.97Å; T172-F176 PolarHBondContact O-N 2.84Å; T172-F176 WeakPolarHBondContact OG1-CD2 3.47Å; T172-F176 WeakPolarHBondContact OG1-CE2 3.24Å
173E89.8Confident87.7Confident123 Ų12368.5 Ų68.558%0.57537%0.374SS*.Hα-helixtrans-50.4-53.2-174.3-176.7178.1-161.700112.8N169 Q175 F176 Q177N169-E173 WeakPolarHBondContact O-CB 3.43Å; N169-E173 PolarHBondContact O-N 2.79Å; E173-Q175 PolarHBondContact O-N 2.75Å; E173-F176 PolarHBondContact O-N 3.38Å; E173-Q177 WeakPolarHBondContact O-CB 3.43Å; E173-Q177 PolarHBondContact O-N 2.84Å
174S88.7Confident88.4Confident91 Ų9166.5 Ų66.564%0.63636%0.361SS*.Hα-helixtrans-62.1-41.4-176.5-178.90000112.9T172 S178T172-S174 PolarHBondContact O-N 2.96Å; S174-S178 WeakPolarHBondContact O-CB 3.21Å; S174-S178 PolarHBondContact O-N 2.99Å; S174-S178 VanDerWaalsContact O-N 3.1Å; S174-S178 PolarHBondContact O-OG 2.82Å
175Q87.8Confident89.1Confident116 Ų11669.8 Ų69.854%0.54238%0.384SS..Hα-helixtrans-68.2-48-179.8-66.1179.3-3.500111T172 E173 S178 Y179T172-Q175 PolarHBondContact O-N 3.39Å; E173-Q175 PolarHBondContact O-N 2.75Å; Q175-S178 PolarHBondContact O-N 2.87Å; Q175-Y179 PolarHBondContact O-N 2.81Å
176F95.2Very high89.4Confident28 Ų2873 Ų7312%0.12341%0.412CS..Hα-helixtrans-69.6-34.9-179.9-63.1-21.7000112.4T172 E173 S178 Y179 A180 I195 L198 Q199 H202T172-F176 HydrophobicContact CG2-CE2 3.95Å; T172-F176 HydrophobicContact CG2-CZ 3.97Å; T172-F176 PolarHBondContact O-N 2.84Å; T172-F176 WeakPolarHBondContact OG1-CD2 3.47Å; T172-F176 WeakPolarHBondContact OG1-CE2 3.24Å; E173-F176 PolarHBondContact O-N 3.38Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 2.8Å; F176-Y179 PolarHBondContact O-N 2.81Å; F176-A180 VanDerWaalsContact O-CB 3.23Å; F176-A180 WeakPolarHBondContact O-CB 3.4Å; F176-A180 PolarHBondContact O-N 2.99Å; F176-I195 HydrophobicContact CB-CG1 4.21Å; F176-I195 HydrophobicContact CB-CG2 4.16Å; F176-L198 HydrophobicContact CB-CD1 4.47Å; F176-L198 HydrophobicContact CD1-CB 4.13Å; F176-L198 HydrophobicContact CD1-CD1 4.13Å; F176-L198 HydrophobicContact CD2-CB 4.15Å; F176-L198 HydrophobicContact CE1-CB 4.18Å; F176-L198 HydrophobicContact CE2-CB 4.16Å; F176-L198 HydrophobicContact CG-CB 4.12Å; F176-L198 HydrophobicContact CG-CD1 4.36Å; F176-L198 HydrophobicContact CZ-CB 4.19Å; F176-Q199 HydrophobicContact CD2-CG 3.55Å; F176-Q199 HydrophobicContact CE2-CB 4.42Å; F176-Q199 HydrophobicContact CE2-CG 3.69Å; F176-H202 HydrophobicContact CE2-CB 4.38Å; F176-H202 HydrophobicContact CZ-CB 4.04Å
177Q93Very high90Very high81 Ų8172.6 Ų72.638%0.37940%0.401SS..Hα-helixtrans-62-41.9173.1-175.462.134.400111.5E173 S181E173-Q177 WeakPolarHBondContact O-CB 3.43Å; E173-Q177 PolarHBondContact O-N 2.84Å; Q177-S181 VanDerWaalsContact O-CB 3.29Å; Q177-S181 WeakPolarHBondContact O-CB 3.33Å; Q177-S181 PolarHBondContact O-N 2.76Å; Q177-S181 PolarHBondContact O-OG 2.79Å
178S91.3Very high90.6Very high76 Ų7672.6 Ų72.653%0.53140%0.401SS..Hα-helixtrans-65.5-47.3177.4-60.40000111.4S174 Q175 F176 S181 L182S174-S178 WeakPolarHBondContact O-CB 3.21Å; S174-S178 PolarHBondContact O-N 2.99Å; S174-S178 VanDerWaalsContact O-N 3.1Å; S174-S178 PolarHBondContact O-OG 2.82Å; Q175-S178 PolarHBondContact O-N 2.87Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 2.8Å; S178-S181 PolarHBondContact O-N 3.21Å; S178-L182 PolarHBondContact O-N 3.07Å
179Y89.8Confident91.2Very high112 Ų11277.5 Ų77.544%0.43943%0.431SS..Hα-helixtrans-60.6-46.6177-177.4-96.7000112Q175 F176 S181 L182 H183 L194 L198Q175-Y179 PolarHBondContact O-N 2.81Å; F176-Y179 PolarHBondContact O-N 2.81Å; Y179-S181 VanDerWaalsContact C-N 3.33Å; Y179-S181 PolarHBondContact O-N 2.99Å; Y179-L182 WeakPolarHBondContact O-CB 3.16Å; Y179-L182 PolarHBondContact O-N 3.05Å; Y179-H183 AromaticContact CE1-CD2 3.77Å; Y179-H183 AromaticContact CE2-CD2 3.9Å; Y179-H183 AromaticContact CE2-NE2 3.59Å; Y179-H183 AromaticContact CZ-CD2 3.63Å; Y179-H183 AromaticContact CZ-NE2 3.4Å; Y179-H183 PolarHBondContact O-CD2 2.75Å; Y179-H183 PolarHBondContact O-N 2.87Å; Y179-H183 PolarHBondContact OH-NE2 3.48Å; Y179-L194 HydrophobicContact CD1-CD2 4.01Å; Y179-L194 HydrophobicContact CE1-CD1 4.45Å; Y179-L194 HydrophobicContact CE1-CD2 3.95Å; Y179-L194 HydrophobicContact CE1-CG 4.49Å; Y179-L198 HydrophobicContact CD1-CD1 3.54Å; Y179-L198 HydrophobicContact CE1-CD1 3.96Å; Y179-L198 HydrophobicContact CG-CD1 4.47Å
180A94.2Very high91.3Very high0 Ų080.6 Ų80.60%044%0.443CS..Hα-helixtrans-65.9-35.8178.700000112.6F176 L182 H183 Y184 R191 L194 I195F176-A180 VanDerWaalsContact O-CB 3.23Å; F176-A180 WeakPolarHBondContact O-CB 3.4Å; F176-A180 PolarHBondContact O-N 2.99Å; A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 3.43Å; A180-H183 PolarHBondContact O-N 3.19Å; A180-Y184 PolarHBondContact O-N 2.84Å; A180-R191 HydrophobicContact CB-CB 4.02Å; A180-R191 HydrophobicContact CB-CG 4.04Å; A180-R191 WeakPolarHBondContact O-CG 3.3Å; A180-L194 HydrophobicContact CB-CD2 4.11Å; A180-L194 HydrophobicContact CB-CG 4.49Å; A180-I195 HydrophobicContact CB-CD1 3.96Å; A180-I195 HydrophobicContact CB-CG1 3.67Å
181S94.2Very high91.8Very high44 Ų4479.9 Ų79.931%0.30843%0.426SS..Hα-helixtrans-65.3-30.1176.2-59.60000113.2Q177 S178 Y179 P185Q177-S181 VanDerWaalsContact O-CB 3.29Å; Q177-S181 WeakPolarHBondContact O-CB 3.33Å; Q177-S181 PolarHBondContact O-N 2.76Å; Q177-S181 PolarHBondContact O-OG 2.79Å; S178-S181 PolarHBondContact O-N 3.21Å; Y179-S181 VanDerWaalsContact C-N 3.33Å; Y179-S181 PolarHBondContact O-N 2.99Å; S181-P185 VanDerWaalsContact O-CA 3.28Å; S181-P185 WeakPolarHBondContact O-CA 3.48Å
182L93.7Very high92.3Very high138 Ų13879.2 Ų79.272%0.72343%0.433SS*.Hα-helixtrans-70-44.3174.6-175.964.1000112S178 Y179 A180S178-L182 PolarHBondContact O-N 3.07Å; Y179-L182 WeakPolarHBondContact O-CB 3.16Å; Y179-L182 PolarHBondContact O-N 3.05Å; A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 3.43Å
183H90.4Very high92.6Very high99 Ų9984.2 Ų84.246%0.45846%0.456SS..Hα-helixtrans-78.4-35.1-177.9-79.4-84.2000113.3Y179 A180 L194Y179-H183 AromaticContact CE1-CD2 3.77Å; Y179-H183 AromaticContact CE2-CD2 3.9Å; Y179-H183 AromaticContact CE2-NE2 3.59Å; Y179-H183 AromaticContact CZ-CD2 3.63Å; Y179-H183 AromaticContact CZ-NE2 3.4Å; Y179-H183 PolarHBondContact O-CD2 2.75Å; Y179-H183 PolarHBondContact O-N 2.87Å; Y179-H183 PolarHBondContact OH-NE2 3.48Å; A180-H183 PolarHBondContact O-N 3.19Å; H183-L194 HydrophobicContact CB-CD2 4.21Å
184Y93Very high92.8Very high90 Ų9079.8 Ų79.835%0.35344%0.436SS..  trans-131.770.4-176.6-57.2-64.4000110.8A180 T186 K190 R191 L194A180-Y184 PolarHBondContact O-N 2.84Å; Y184-T186 VanDerWaalsContact C-N 3.33Å; Y184-T186 PolarHBondContact O-N 2.96Å; Y184-K190 HydrophobicContact CD1-CB 3.77Å; Y184-K190 HydrophobicContact CD1-CD 3.63Å; Y184-K190 HydrophobicContact CD1-CG 4.36Å; Y184-K190 HydrophobicContact CD2-CB 3.78Å; Y184-K190 HydrophobicContact CE1-CB 4.14Å; Y184-K190 HydrophobicContact CE1-CD 3.6Å; Y184-K190 HydrophobicContact CE1-CG 4.45Å; Y184-K190 HydrophobicContact CE2-CB 4.12Å; Y184-K190 HydrophobicContact CG-CB 3.59Å; Y184-K190 HydrophobicContact CG-CD 4.34Å; Y184-R191 VanDerWaalsContact O-CD 3.24Å; Y184-R191 WeakPolarHBondContact O-CD 3.2Å; Y184-R191 WeakPolarHBondContact O-CG 3.24Å; Y184-R191 PolarHBondContact O-NH1 2.75Å; Y184-L194 HydrophobicContact CD2-CB 4.41Å; Y184-L194 HydrophobicContact CD2-CD2 3.93Å; Y184-L194 HydrophobicContact CE2-CB 4.2Å; Y184-L194 HydrophobicContact CE2-CD2 3.74Å
185P92.3Very high93Very high90 Ų9076.4 Ų76.458%0.58441%0.41SS*.SBendtrans-66.3-31.6-17523.9-33.4000113.7S181 R191S181-P185 VanDerWaalsContact O-CA 3.28Å; S181-P185 WeakPolarHBondContact O-CA 3.48Å; P185-R191 PolarHBondContact O-NH1 3.28Å
186T91.8Very high93.3Very high138 Ų13873.3 Ų73.385%0.84741%0.405SS*.SBendtrans-102.3-19.8-177.5440000114Y184Y184-T186 VanDerWaalsContact C-N 3.33Å; Y184-T186 PolarHBondContact O-N 2.96Å
187D94.4Very high93.1Very high51 Ų5177.3 Ų77.327%0.27342%0.424SS..  trans-105.396.4-171.5-168.1-26.6000111.2V189 K190 R191D187-V189 VanDerWaalsContact C-N 3.28Å; D187-V189 PolarHBondContact O-N 3.17Å; D187-V189 PolarHBondContact OD1-N 3.32Å; D187-V189 VanDerWaalsContact OD1-N 3.14Å; D187-K190 HydrophobicContact CB-CB 4.13Å; D187-K190 HydrophobicContact CB-CD 4.26Å; D187-K190 HydrophobicContact CB-CG 4.35Å; D187-K190 PolarHBondContact OD1-N 3.5Å; D187-K190 WeakPolarHBondContact OD2-CD 3.39Å; D187-K190 WeakPolarHBondContact OD2-CE 3.38Å; D187-K190 VanDerWaalsContact OD2-CG 3.28Å; D187-K190 WeakPolarHBondContact OD2-CG 3.25Å; D187-K190 IonicContact OD2-NZ 2.67Å; D187-R191 WeakPolarHBondContact O-CG 3.34Å; D187-R191 PolarHBondContact O-N 3.46Å; D187-R191 VanDerWaalsContact O-N 3.14Å
188A94.4Very high93Very high61 Ų6175.3 Ų75.350%0.50442%0.415SS..Hα-helixtrans-64.8-30.4-17900000113.3A192A188-A192 PolarHBondContact O-N 3.49Å; A188-A192 VanDerWaalsContact O-N 3.12Å
189V95.7Very high93Very high109 Ų10973.2 Ų73.266%0.66140%0.397SS*.Hα-helixtrans-72.1-47.4-179-179.80000109.6D187 R191 A192 E193D187-V189 VanDerWaalsContact C-N 3.28Å; D187-V189 PolarHBondContact O-N 3.17Å; D187-V189 PolarHBondContact OD1-N 3.32Å; D187-V189 VanDerWaalsContact OD1-N 3.14Å; V189-R191 VanDerWaalsContact C-N 3.27Å; V189-R191 PolarHBondContact O-N 3.19Å; V189-A192 PolarHBondContact O-N 2.96Å; V189-A192 VanDerWaalsContact O-N 3.15Å; V189-E193 PolarHBondContact O-N 3.12Å
190K92.1Very high93Very high98 Ų9870.7 Ų70.743%0.42639%0.392SS..Hα-helixtrans-62.5-33.8175.6-72.4-177.2-171.1168.50112.9Y184 D187 L194Y184-K190 HydrophobicContact CD1-CB 3.77Å; Y184-K190 HydrophobicContact CD1-CD 3.63Å; Y184-K190 HydrophobicContact CD1-CG 4.36Å; Y184-K190 HydrophobicContact CD2-CB 3.78Å; Y184-K190 HydrophobicContact CE1-CB 4.14Å; Y184-K190 HydrophobicContact CE1-CD 3.6Å; Y184-K190 HydrophobicContact CE1-CG 4.45Å; Y184-K190 HydrophobicContact CE2-CB 4.12Å; Y184-K190 HydrophobicContact CG-CB 3.59Å; Y184-K190 HydrophobicContact CG-CD 4.34Å; D187-K190 HydrophobicContact CB-CB 4.13Å; D187-K190 HydrophobicContact CB-CD 4.26Å; D187-K190 HydrophobicContact CB-CG 4.35Å; D187-K190 PolarHBondContact OD1-N 3.5Å; D187-K190 WeakPolarHBondContact OD2-CD 3.39Å; D187-K190 WeakPolarHBondContact OD2-CE 3.38Å; D187-K190 VanDerWaalsContact OD2-CG 3.28Å; D187-K190 WeakPolarHBondContact OD2-CG 3.25Å; D187-K190 IonicContact OD2-NZ 2.67Å; K190-L194 VanDerWaalsContact O-CB 3.3Å; K190-L194 WeakPolarHBondContact O-CB 3.48Å; K190-L194 PolarHBondContact O-N 3.44Å
191R96.1Very high92.7Very high54 Ų5478.4 Ų78.420%0.20442%0.421CS..Hα-helixtrans-61.1-50.1171.8-73.3-165.5-62.8-110.19.2111.9A180 Y184 P185 D187 V189 E193 L194 I195A180-R191 HydrophobicContact CB-CB 4.02Å; A180-R191 HydrophobicContact CB-CG 4.04Å; A180-R191 WeakPolarHBondContact O-CG 3.3Å; Y184-R191 VanDerWaalsContact O-CD 3.24Å; Y184-R191 WeakPolarHBondContact O-CD 3.2Å; Y184-R191 WeakPolarHBondContact O-CG 3.24Å; Y184-R191 PolarHBondContact O-NH1 2.75Å; P185-R191 PolarHBondContact O-NH1 3.28Å; D187-R191 WeakPolarHBondContact O-CG 3.34Å; D187-R191 PolarHBondContact O-N 3.46Å; D187-R191 VanDerWaalsContact O-N 3.14Å; V189-R191 VanDerWaalsContact C-N 3.27Å; V189-R191 PolarHBondContact O-N 3.19Å; R191-E193 VanDerWaalsContact C-N 3.31Å; R191-E193 PolarHBondContact O-N 3.07Å; R191-L194 PolarHBondContact O-N 3.43Å; R191-I195 WeakPolarHBondContact O-CB 3.47Å; R191-I195 WeakPolarHBondContact O-CD1 3.35Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 2.78Å
192A94Very high92.2Very high59 Ų5978.6 Ų78.649%0.48842%0.417SS..Hα-helixtrans-61.7-41.3-179.600000111.6A188 V189 I195 A196A188-A192 PolarHBondContact O-N 3.49Å; A188-A192 VanDerWaalsContact O-N 3.12Å; V189-A192 PolarHBondContact O-N 2.96Å; V189-A192 VanDerWaalsContact O-N 3.15Å; A192-I195 PolarHBondContact O-N 2.76Å; A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 2.93Å
193E93.6Very high91.8Very high111 Ų11172.5 Ų72.552%0.51938%0.384SS..Hα-helixtrans-63.1-46.2175.9-169.8-179.1178.600111.9V189 R191 A196 Q197V189-E193 PolarHBondContact O-N 3.12Å; R191-E193 VanDerWaalsContact C-N 3.31Å; R191-E193 PolarHBondContact O-N 3.07Å; E193-A196 PolarHBondContact O-N 3.38Å; E193-Q197 WeakPolarHBondContact O-CG 3.18Å; E193-Q197 PolarHBondContact O-N 3.42Å
194L93.4Very high91.5Very high29 Ų2973 Ų7315%0.15239%0.386CS..Hα-helixtrans-63.2-42.7177.3179.159.7000112Y179 A180 H183 Y184 K190 R191 A196 Q197 L198Y179-L194 HydrophobicContact CD1-CD2 4.01Å; Y179-L194 HydrophobicContact CE1-CD1 4.45Å; Y179-L194 HydrophobicContact CE1-CD2 3.95Å; Y179-L194 HydrophobicContact CE1-CG 4.49Å; A180-L194 HydrophobicContact CB-CD2 4.11Å; A180-L194 HydrophobicContact CB-CG 4.49Å; H183-L194 HydrophobicContact CB-CD2 4.21Å; Y184-L194 HydrophobicContact CD2-CB 4.41Å; Y184-L194 HydrophobicContact CD2-CD2 3.93Å; Y184-L194 HydrophobicContact CE2-CB 4.2Å; Y184-L194 HydrophobicContact CE2-CD2 3.74Å; K190-L194 VanDerWaalsContact O-CB 3.3Å; K190-L194 WeakPolarHBondContact O-CB 3.48Å; K190-L194 PolarHBondContact O-N 3.44Å; R191-L194 PolarHBondContact O-N 3.43Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-A196 PolarHBondContact O-N 2.68Å; L194-Q197 PolarHBondContact O-N 3.08Å; L194-L198 HydrophobicContact CD1-CD1 4.18Å; L194-L198 HydrophobicContact CD1-CG 4.23Å; L194-L198 HydrophobicContact CG-CD1 4.01Å; L194-L198 WeakPolarHBondContact O-CB 3.14Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.98Å
195I93.5Very high90.8Very high20 Ų2073.3 Ų73.310%0.10339%0.391CS..Hα-helixtrans-61.4-45.5176.4-67.9163000110.2F176 A180 R191 A192 Q197 L198 Q199F176-I195 HydrophobicContact CB-CG1 4.21Å; F176-I195 HydrophobicContact CB-CG2 4.16Å; A180-I195 HydrophobicContact CB-CD1 3.96Å; A180-I195 HydrophobicContact CB-CG1 3.67Å; R191-I195 WeakPolarHBondContact O-CB 3.47Å; R191-I195 WeakPolarHBondContact O-CD1 3.35Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 2.78Å; A192-I195 PolarHBondContact O-N 2.76Å; I195-Q197 VanDerWaalsContact C-N 3.33Å; I195-Q197 PolarHBondContact O-N 2.89Å; I195-L198 PolarHBondContact O-N 2.77Å; I195-Q199 HydrophobicContact CG2-CG 4.24Å; I195-Q199 WeakPolarHBondContact O-CB 3.4Å; I195-Q199 VanDerWaalsContact O-CG 3.3Å; I195-Q199 WeakPolarHBondContact O-CG 3.19Å; I195-Q199 PolarHBondContact O-N 3.41Å
196A92.6Very high90.2Very high52 Ų5270.3 Ų70.343%0.4337%0.368SS..Hα-helixtrans-61.1-41.417800000112A192 E193 L194 D200A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 2.93Å; E193-A196 PolarHBondContact O-N 3.38Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-A196 PolarHBondContact O-N 2.68Å; A196-D200 WeakPolarHBondContact O-CB 3.27Å; A196-D200 PolarHBondContact O-N 2.8Å
197Q92.1Very high89.5Confident111 Ų11164.6 Ų64.652%0.51933%0.332SS..Hα-helixtrans-64.6-42.6175.5-71.7177.218.800112.3E193 L194 I195 D200 R201E193-Q197 WeakPolarHBondContact O-CG 3.18Å; E193-Q197 PolarHBondContact O-N 3.42Å; L194-Q197 PolarHBondContact O-N 3.08Å; I195-Q197 VanDerWaalsContact C-N 3.33Å; I195-Q197 PolarHBondContact O-N 2.89Å; Q197-D200 PolarHBondContact O-N 2.72Å; Q197-R201 WeakPolarHBondContact O-CB 3.17Å; Q197-R201 PolarHBondContact O-N 2.82Å
198L91Very high88.4Confident39 Ų3964.9 Ų64.920%0.20434%0.341CS..Hα-helixtrans-66.1-43.3177.6-72.1169.2000111.9F176 Y179 L194 I195 D200 R201 H202F176-L198 HydrophobicContact CB-CD1 4.47Å; F176-L198 HydrophobicContact CD1-CB 4.13Å; F176-L198 HydrophobicContact CD1-CD1 4.13Å; F176-L198 HydrophobicContact CD2-CB 4.15Å; F176-L198 HydrophobicContact CE1-CB 4.18Å; F176-L198 HydrophobicContact CE2-CB 4.16Å; F176-L198 HydrophobicContact CG-CB 4.12Å; F176-L198 HydrophobicContact CG-CD1 4.36Å; F176-L198 HydrophobicContact CZ-CB 4.19Å; Y179-L198 HydrophobicContact CD1-CD1 3.54Å; Y179-L198 HydrophobicContact CE1-CD1 3.96Å; Y179-L198 HydrophobicContact CG-CD1 4.47Å; L194-L198 HydrophobicContact CD1-CD1 4.18Å; L194-L198 HydrophobicContact CD1-CG 4.23Å; L194-L198 HydrophobicContact CG-CD1 4.01Å; L194-L198 WeakPolarHBondContact O-CB 3.14Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.98Å; I195-L198 PolarHBondContact O-N 2.77Å; L198-D200 VanDerWaalsContact C-N 3.35Å; L198-R201 PolarHBondContact O-N 3.48Å; L198-H202 VanDerWaalsContact O-CB 3.23Å; L198-H202 WeakPolarHBondContact O-CB 3.33Å; L198-H202 PolarHBondContact O-N 3.23Å
199Q92Very high87.3Confident32 Ų3265 Ų6515%0.1533%0.329CS..Hα-helixtrans-61.3-43.2174.8-78179.3-19.100111.8N169 F176 I195 H202 F203N169-Q199 VanDerWaalsContact CG-CD 3.41Å; N169-Q199 PolarHBondContact ND2-OE1 3.19Å; N169-Q199 VanDerWaalsContact OD1-CB 3.3Å; N169-Q199 WeakPolarHBondContact OD1-CB 3.43Å; N169-Q199 WeakPolarHBondContact OD1-CG 3.48Å; F176-Q199 HydrophobicContact CD2-CG 3.55Å; F176-Q199 HydrophobicContact CE2-CB 4.42Å; F176-Q199 HydrophobicContact CE2-CG 3.69Å; I195-Q199 HydrophobicContact CG2-CG 4.24Å; I195-Q199 WeakPolarHBondContact O-CB 3.4Å; I195-Q199 VanDerWaalsContact O-CG 3.3Å; I195-Q199 WeakPolarHBondContact O-CG 3.19Å; I195-Q199 PolarHBondContact O-N 3.41Å; Q199-H202 PolarHBondContact O-N 3.03Å; Q199-F203 VanDerWaalsContact O-CB 3.32Å; Q199-F203 WeakPolarHBondContact O-CB 3.4Å; Q199-F203 PolarHBondContact O-N 2.89Å
200D89.2Confident86Confident60 Ų6059.9 Ų59.932%0.32130%0.299SS..Hα-helixtrans-65.3-45.4177.5-165.754.5000111.5R165 A196 Q197 L198 H202 F203 H204R165-D200 IonicContact CZ-OD1 2.62Å; R165-D200 IonicContact NH1-OD1 2.72Å; R165-D200 PolarHBondContact NH1-OD1 3.22Å; R165-D200 IonicContact NH2-OD1 2.78Å; R165-D200 PolarHBondContact NH2-OD1 2.6Å; A196-D200 WeakPolarHBondContact O-CB 3.27Å; A196-D200 PolarHBondContact O-N 2.8Å; Q197-D200 PolarHBondContact O-N 2.72Å; L198-D200 VanDerWaalsContact C-N 3.35Å; D200-H202 PolarHBondContact O-N 3Å; D200-F203 WeakPolarHBondContact O-CB 3.45Å; D200-F203 PolarHBondContact O-N 3.1Å; D200-H204 PolarHBondContact O-N 3.3Å; D200-H204 PolarHBondContact O-ND1 3.43Å; D200-H204 IonicContact OD1-CE1 2.65Å; D200-H204 PolarHBondContact OD1-CE1 3.06Å; D200-H204 IonicContact OD1-ND1 3.05Å; D200-H204 IonicContact OD2-CE1 3.83Å; D200-H204 PolarHBondContact OD2-CE1 3.19Å; D200-H204 IonicContact OD2-ND1 3.28Å
201R87.2Confident84.7Confident162 Ų16259.8 Ų59.861%0.61130%0.299SS*.Hα-helixtrans-59.3-48.4175.1-179177.7176.2110.711.6111.9Q197 L198 F203 H204 E205Q197-R201 WeakPolarHBondContact O-CB 3.17Å; Q197-R201 PolarHBondContact O-N 2.82Å; L198-R201 PolarHBondContact O-N 3.48Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.59Å; R201-H204 PolarHBondContact O-N 2.89Å; R201-E205 HydrophobicContact CG-CG 4.48Å; R201-E205 IonicContact CZ-OE1 2.96Å; R201-E205 VanDerWaalsContact CZ-OE1 3.28Å; R201-E205 IonicContact NE-OE1 3.28Å; R201-E205 PolarHBondContact NE-OE1 3.14Å; R201-E205 IonicContact NH2-OE1 3.86Å; R201-E205 PolarHBondContact NH2-OE1 2.69Å; R201-E205 WeakPolarHBondContact O-CG 3.41Å; R201-E205 PolarHBondContact O-N 2.85Å
202H83.8Confident83.1Confident48 Ų4862.8 Ų62.822%0.22231%0.311CS..Hα-helixtrans-59.7-41.8177.9175.2-113.6000111.7F176 L198 Q199 D200 H204 E205 Y206F176-H202 HydrophobicContact CE2-CB 4.38Å; F176-H202 HydrophobicContact CZ-CB 4.04Å; L198-H202 VanDerWaalsContact O-CB 3.23Å; L198-H202 WeakPolarHBondContact O-CB 3.33Å; L198-H202 PolarHBondContact O-N 3.23Å; Q199-H202 PolarHBondContact O-N 3.03Å; D200-H202 PolarHBondContact O-N 3Å; H202-H204 PolarHBondContact O-N 2.87Å; H202-E205 PolarHBondContact O-N 3.31Å; H202-Y206 WeakPolarHBondContact O-CB 3.16Å; H202-Y206 PolarHBondContact O-N 3.44Å
203F85.6Confident81.2Confident10 Ų1061.3 Ų61.34%0.04429%0.294CS..Hα-helixtrans-58.5-47.9174.6176.4-99.1000111.6E161 I164 R165 L168 Q199 D200 R201 Y206 M207E161-F203 HydrophobicContact CG-CE1 4.45Å; E161-F203 HydrophobicContact CG-CE2 4.43Å; E161-F203 HydrophobicContact CG-CZ 3.75Å; I164-F203 HydrophobicContact CG2-CE2 4.16Å; R165-F203 HydrophobicContact CB-CD2 3.97Å; R165-F203 HydrophobicContact CB-CE2 4.01Å; R165-F203 HydrophobicContact CG-CD2 4.07Å; R165-F203 HydrophobicContact CG-CE2 4.5Å; R165-F203 HydrophobicContact CG-CG 4.43Å; L168-F203 HydrophobicContact CD1-CD2 3.97Å; Q199-F203 VanDerWaalsContact O-CB 3.32Å; Q199-F203 WeakPolarHBondContact O-CB 3.4Å; Q199-F203 PolarHBondContact O-N 2.89Å; D200-F203 WeakPolarHBondContact O-CB 3.45Å; D200-F203 PolarHBondContact O-N 3.1Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.59Å; F203-Y206 PolarHBondContact O-N 3.14Å; F203-M207 HydrophobicContact CD1-CG 4.09Å; F203-M207 HydrophobicContact CD2-CG 4.3Å; F203-M207 HydrophobicContact CE1-CG 3.63Å; F203-M207 HydrophobicContact CE1-SD 4.48Å; F203-M207 HydrophobicContact CE2-CE 4.04Å; F203-M207 HydrophobicContact CE2-CG 3.85Å; F203-M207 HydrophobicContact CE2-SD 4Å; F203-M207 HydrophobicContact CG-CG 4.4Å; F203-M207 HydrophobicContact CZ-CE 4.4Å; F203-M207 HydrophobicContact CZ-CG 3.46Å; F203-M207 VanDerWaalsContact CZ-CG 3.46Å; F203-M207 HydrophobicContact CZ-SD 3.76Å; F203-M207 WeakPolarHBondContact O-CB 3.01Å; F203-M207 VanDerWaalsContact O-CG 3.25Å; F203-M207 WeakPolarHBondContact O-CG 2.88Å; F203-M207 PolarHBondContact O-N 2.94Å
204H83.2Confident79.4Confident108 Ų10858.9 Ų58.950%0.528%0.28SS..Hα-helixtrans-64.7-41178.7-71.989.8000112.7D200 R201 H202 Y206 M207 A208D200-H204 PolarHBondContact O-N 3.3Å; D200-H204 PolarHBondContact O-ND1 3.43Å; D200-H204 IonicContact OD1-CE1 2.65Å; D200-H204 PolarHBondContact OD1-CE1 3.06Å; D200-H204 IonicContact OD1-ND1 3.05Å; D200-H204 IonicContact OD2-CE1 3.83Å; D200-H204 PolarHBondContact OD2-CE1 3.19Å; D200-H204 IonicContact OD2-ND1 3.28Å; R201-H204 PolarHBondContact O-N 2.89Å; H202-H204 PolarHBondContact O-N 2.87Å; H204-Y206 VanDerWaalsContact C-N 3.34Å; H204-M207 PolarHBondContact O-N 2.9Å; H204-A208 WeakPolarHBondContact O-CB 3.12Å; H204-A208 PolarHBondContact O-N 2.76Å
205E78.1Confident77.7Confident97 Ų9766.3 Ų66.345%0.45331%0.306SS..Hα-helixtrans-61.6-43175.8-72.8172.8175.100111R201 H202 A208 Y209R201-E205 HydrophobicContact CG-CG 4.48Å; R201-E205 IonicContact CZ-OE1 2.96Å; R201-E205 VanDerWaalsContact CZ-OE1 3.28Å; R201-E205 IonicContact NE-OE1 3.28Å; R201-E205 PolarHBondContact NE-OE1 3.14Å; R201-E205 IonicContact NH2-OE1 3.86Å; R201-E205 PolarHBondContact NH2-OE1 2.69Å; R201-E205 WeakPolarHBondContact O-CG 3.41Å; R201-E205 PolarHBondContact O-N 2.85Å; H202-E205 PolarHBondContact O-N 3.31Å; E205-A208 PolarHBondContact O-N 3.17Å; E205-Y209 WeakPolarHBondContact O-CB 3.47Å; E205-Y209 PolarHBondContact O-N 2.6Å
206Y79.9Confident75.4Confident27 Ų2769.6 Ų69.611%0.10632%0.32CS..Hα-helixtrans-67.7-41.6176.1-177.8-101.8000112.9I164 L168 H202 F203 H204 A208 Y209 I210 R345I164-Y206 HydrophobicContact CG2-CD1 4.18Å; I164-Y206 HydrophobicContact CG2-CE1 3.82Å; L168-Y206 HydrophobicContact CD1-CD1 3.47Å; L168-Y206 VanDerWaalsContact CD1-CD1 3.47Å; L168-Y206 HydrophobicContact CD1-CE1 3.95Å; L168-Y206 HydrophobicContact CD1-CG 3.93Å; L168-Y206 HydrophobicContact CD2-CD1 4.15Å; L168-Y206 HydrophobicContact CD2-CD2 4.18Å; L168-Y206 HydrophobicContact CD2-CE1 4.24Å; L168-Y206 HydrophobicContact CD2-CE2 4.27Å; L168-Y206 HydrophobicContact CD2-CG 4.1Å; L168-Y206 HydrophobicContact CG-CD1 4.36Å; H202-Y206 WeakPolarHBondContact O-CB 3.16Å; H202-Y206 PolarHBondContact O-N 3.44Å; F203-Y206 PolarHBondContact O-N 3.14Å; H204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-A208 PolarHBondContact O-N 3.28Å; Y206-Y209 WeakPolarHBondContact O-CB 3.26Å; Y206-Y209 PolarHBondContact O-N 3.44Å; Y206-I210 HydrophobicContact CD1-CD1 3.96Å; Y206-I210 HydrophobicContact CD1-CG1 4.38Å; Y206-I210 HydrophobicContact CE1-CD1 3.22Å; Y206-I210 HydrophobicContact CE1-CG1 4.02Å; Y206-I210 HydrophobicContact CE2-CD1 4.21Å; Y206-I210 HydrophobicContact CE2-CG1 4.4Å; Y206-I210 PolarHBondContact O-N 3.11Å; Y206-R345 WeakPolarHBondContact OH-CD 3.31Å
207M76.9Confident73.1Confident19 Ų1969 Ų699%0.09431%0.309CS..Hα-helixtrans-62.1-43.1175.1-72.6-62.19800112I157 I164 F203 H204 Y209 I210 Q211I157-M207 HydrophobicContact CG2-CE 4.28Å; I157-M207 HydrophobicContact CG2-SD 3.38Å; I157-M207 WeakPolarHBondContact CG2-SD 3.34Å; I164-M207 HydrophobicContact CD1-CE 4.31Å; I164-M207 HydrophobicContact CG2-CE 3.63Å; F203-M207 HydrophobicContact CD1-CG 4.09Å; F203-M207 HydrophobicContact CD2-CG 4.3Å; F203-M207 HydrophobicContact CE1-CG 3.63Å; F203-M207 HydrophobicContact CE1-SD 4.48Å; F203-M207 HydrophobicContact CE2-CE 4.04Å; F203-M207 HydrophobicContact CE2-CG 3.85Å; F203-M207 HydrophobicContact CE2-SD 4Å; F203-M207 HydrophobicContact CG-CG 4.4Å; F203-M207 HydrophobicContact CZ-CE 4.4Å; F203-M207 HydrophobicContact CZ-CG 3.46Å; F203-M207 VanDerWaalsContact CZ-CG 3.46Å; F203-M207 HydrophobicContact CZ-SD 3.76Å; F203-M207 WeakPolarHBondContact O-CB 3.01Å; F203-M207 VanDerWaalsContact O-CG 3.25Å; F203-M207 WeakPolarHBondContact O-CG 2.88Å; F203-M207 PolarHBondContact O-N 2.94Å; H204-M207 PolarHBondContact O-N 2.9Å; M207-Y209 VanDerWaalsContact C-N 3.33Å; M207-Y209 PolarHBondContact O-N 2.99Å; M207-I210 HydrophobicContact CE-CD1 4.33Å; M207-I210 PolarHBondContact O-N 3.09Å; M207-Q211 WeakPolarHBondContact O-CB 3.21Å; M207-Q211 VanDerWaalsContact O-CG 3.23Å; M207-Q211 WeakPolarHBondContact O-CG 3.48Å; M207-Q211 PolarHBondContact O-N 3.29Å
208A72Confident70.7Confident56 Ų5667.8 Ų67.846%0.46330%0.303SS..Hα-helixtrans-63.1-40.9175.600000111.7H204 E205 Y206 R212H204-A208 WeakPolarHBondContact O-CB 3.12Å; H204-A208 PolarHBondContact O-N 2.76Å; E205-A208 PolarHBondContact O-N 3.17Å; Y206-A208 PolarHBondContact O-N 3.28Å; A208-R212 WeakPolarHBondContact O-CB 3.09Å; A208-R212 PolarHBondContact O-N 3.03Å
209Y71.6Confident68.3Low63 Ų6374.2 Ų74.225%0.24733%0.325CS..Hα-helixtrans-59.8-51.7175.1171.2-97.3000111.8E205 Y206 M207 Q211 R212 Q213 V385E205-Y209 WeakPolarHBondContact O-CB 3.47Å; E205-Y209 PolarHBondContact O-N 2.6Å; Y206-Y209 WeakPolarHBondContact O-CB 3.26Å; Y206-Y209 PolarHBondContact O-N 3.44Å; M207-Y209 VanDerWaalsContact C-N 3.33Å; M207-Y209 PolarHBondContact O-N 2.99Å; Y209-Q211 PolarHBondContact O-N 2.94Å; Y209-R212 WeakPolarHBondContact O-CB 2.9Å; Y209-R212 PolarHBondContact O-N 3.19Å; Y209-Q213 PolarHBondContact O-N 2.66Å; Y209-Q213 VanDerWaalsContact O-N 3.12Å; Y209-V385 HydrophobicContact CE2-CG1 4.16Å; Y209-V385 WeakPolarHBondContact OH-CG1 3.25Å
210I68.8Low65.9Low3 Ų376.2 Ų76.22%0.01534%0.343CS..Hα-helixtrans-60-48.4178.9-75.9-165.5000111.4I157 Y206 M207 R212 Q213 Y214I157-I210 HydrophobicContact CD1-CG2 3.88Å; I157-I210 HydrophobicContact CG1-CG2 4.37Å; Y206-I210 HydrophobicContact CD1-CD1 3.96Å; Y206-I210 HydrophobicContact CD1-CG1 4.38Å; Y206-I210 HydrophobicContact CE1-CD1 3.22Å; Y206-I210 HydrophobicContact CE1-CG1 4.02Å; Y206-I210 HydrophobicContact CE2-CD1 4.21Å; Y206-I210 HydrophobicContact CE2-CG1 4.4Å; Y206-I210 PolarHBondContact O-N 3.11Å; M207-I210 HydrophobicContact CE-CD1 4.33Å; M207-I210 PolarHBondContact O-N 3.09Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.94Å; I210-Q213 WeakPolarHBondContact O-CB 3.35Å; I210-Q213 PolarHBondContact O-N 3.05Å; I210-Q213 VanDerWaalsContact O-N 3.11Å; I210-Y214 HydrophobicContact CG2-CD2 3.5Å; I210-Y214 HydrophobicContact CG2-CE2 3.43Å; I210-Y214 VanDerWaalsContact CG2-CE2 3.43Å; I210-Y214 VanDerWaalsContact O-CD2 3.31Å; I210-Y214 WeakPolarHBondContact O-CD2 3.29Å; I210-Y214 PolarHBondContact O-N 3.45Å
211Q64.4Low63.5Low95 Ų9581 Ų8144%0.44436%0.363SS..Hα-helixtrans-59.7-40.4-179.6-74.9176.23.500111.8M207 Y209 Q213 Y214 R215M207-Q211 WeakPolarHBondContact O-CB 3.21Å; M207-Q211 VanDerWaalsContact O-CG 3.23Å; M207-Q211 WeakPolarHBondContact O-CG 3.48Å; M207-Q211 PolarHBondContact O-N 3.29Å; Y209-Q211 PolarHBondContact O-N 2.94Å; Q211-Q213 VanDerWaalsContact C-N 3.29Å; Q211-Q213 PolarHBondContact O-N 2.73Å; Q211-Y214 PolarHBondContact O-N 2.6Å; Q211-R215 PolarHBondContact O-N 2.9Å; Q211-R215 VanDerWaalsContact O-N 3.09Å
212R62.9Low61.2Low118 Ų11879.9 Ų79.945%0.44537%0.368SS..Hα-helixtrans-61.3-40.9176.5-172.7176.9-170.9161.75111.4A208 Y209 I210 F216 N259A208-R212 WeakPolarHBondContact O-CB 3.09Å; A208-R212 PolarHBondContact O-N 3.03Å; Y209-R212 WeakPolarHBondContact O-CB 2.9Å; Y209-R212 PolarHBondContact O-N 3.19Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.94Å; R212-F216 PolarHBondContact O-N 3.26Å; R212-N259 PolarHBondContact NH2-OD1 3.01Å
213Q53.9Low58.5Low28 Ų2884 Ų8413%0.13139%0.387CS..Hα-helixtrans-68-42179.9-160.9174.34.100112.2Y209 I210 Q211 F216 I217 E387 R490Y209-Q213 PolarHBondContact O-N 2.66Å; Y209-Q213 VanDerWaalsContact O-N 3.12Å; I210-Q213 WeakPolarHBondContact O-CB 3.35Å; I210-Q213 PolarHBondContact O-N 3.05Å; I210-Q213 VanDerWaalsContact O-N 3.11Å; Q211-Q213 VanDerWaalsContact C-N 3.29Å; Q211-Q213 PolarHBondContact O-N 2.73Å; Q213-F216 WeakPolarHBondContact O-CB 3.29Å; Q213-F216 PolarHBondContact O-N 3.28Å; Q213-I217 PolarHBondContact O-N 3.33Å; Q213-E387 PolarHBondContact NE2-OE1 2.64Å; Q213-R490 VanDerWaalsContact NE2-CZ 3.33Å
214Y56.1Low55.6Low60 Ų6088.3 Ų88.324%0.23542%0.419CS..Hα-helixtrans-67.4-38.9177.2-81-69.5000113.4I157 I210 Q211 F216 I217 Q218I157-Y214 HydrophobicContact CD1-CE2 4.39Å; I210-Y214 HydrophobicContact CG2-CD2 3.5Å; I210-Y214 HydrophobicContact CG2-CE2 3.43Å; I210-Y214 VanDerWaalsContact CG2-CE2 3.43Å; I210-Y214 VanDerWaalsContact O-CD2 3.31Å; I210-Y214 WeakPolarHBondContact O-CD2 3.29Å; I210-Y214 PolarHBondContact O-N 3.45Å; Q211-Y214 PolarHBondContact O-N 2.6Å; Y214-F216 PolarHBondContact O-N 2.72Å; Y214-I217 HydrophobicContact CD1-CD1 4.29Å; Y214-I217 PolarHBondContact O-N 2.88Å; Y214-Q218 PolarHBondContact O-N 2.68Å
215R57.2Low53.2Low185 Ų18589.5 Ų89.570%0.69844%0.436SS*.Hα-helixtrans-58.7-29.6174.4-77.3-163.8-163.2148.95.5112.8Q211 R219Q211-R215 PolarHBondContact O-N 2.9Å; Q211-R215 VanDerWaalsContact O-N 3.09Å; R215-R219 PolarHBondContact O-N 3.49Å
216F45.7Very low50.5Low89 Ų8990 Ų9039%0.3945%0.45SS..Hα-helixtrans-73.2-42.4-179.9-173.4-88.4000112R212 Q213 Y214 Q218 R219 S220 K255R212-F216 PolarHBondContact O-N 3.26Å; Q213-F216 WeakPolarHBondContact O-CB 3.29Å; Q213-F216 PolarHBondContact O-N 3.28Å; Y214-F216 PolarHBondContact O-N 2.72Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.35Å; F216-R219 PolarHBondContact O-N 3.45Å; F216-R219 VanDerWaalsContact O-N 3.14Å; F216-S220 PolarHBondContact O-N 3.33Å; F216-S220 PolarHBondContact O-OG 2.62Å; F216-K255 HydrophobicContact CE1-CD 3.64Å; F216-K255 HydrophobicContact CZ-CB 4.03Å; F216-K255 HydrophobicContact CZ-CD 3.76Å; F216-K255 HydrophobicContact CZ-CG 4.21Å
217I43.4Very low47.9Very low39 Ų3997.1 Ų97.120%0.248%0.484CS..Hα-helixtrans-60.3-39.5178.1-60.7168.4000111.3Q213 Y214 R219 S220Q213-I217 PolarHBondContact O-N 3.33Å; Y214-I217 HydrophobicContact CD1-CD1 4.29Å; Y214-I217 PolarHBondContact O-N 2.88Å; I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 PolarHBondContact O-N 3.13Å; I217-S220 PolarHBondContact O-OG 3.28Å
218Q41.4Very low45.3Very low85 Ų85102 Ų10240%0.39752%0.515SS..Hα-helixtrans-66.6-33.6177.9-68.8179.46.400112.7Y214 F216 Q221Y214-Q218 PolarHBondContact O-N 2.68Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.35Å; Q218-Q221 PolarHBondContact O-N 3.02Å
219R41.2Very low43Very low175 Ų175106 Ų10666%0.6653%0.534SS*.Hα-helixtrans-75.2-31.5-176.6-162.8169.4164.8172.7-5.5112.6R215 F216 I217 Q221 I222 E223R215-R219 PolarHBondContact O-N 3.49Å; F216-R219 PolarHBondContact O-N 3.45Å; F216-R219 VanDerWaalsContact O-N 3.14Å; I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 PolarHBondContact O-N 3.13Å; R219-Q221 PolarHBondContact O-N 2.97Å; R219-I222 PolarHBondContact O-N 3.38Å; R219-E223 IonicContact NE-OE1 2.94Å
220S41.1Very low40.4Very low74 Ų74110.1 Ų110.152%0.51756%0.56SS.*THydrogen-bonded Turntrans-64-16.5171.231.20000114.3F216 I217F216-S220 PolarHBondContact O-N 3.33Å; F216-S220 PolarHBondContact O-OG 2.62Å; I217-S220 PolarHBondContact O-OG 3.28Å
221Q38.1Very low38.4Very low160 Ų160118 Ų11875%0.74860%0.599SS**THydrogen-bonded Turntrans-90.8-11.5177.3-66.3-165-0.700114.2Q218 R219Q218-Q221 PolarHBondContact O-N 3.02Å; R219-Q221 PolarHBondContact O-N 2.97Å
222I39.7Very low36.3Very low139 Ų139117.7 Ų117.771%0.71361%0.607SS**THydrogen-bonded Turntrans-102.6-21-176.6-62.1175000112.5R219 S224R219-I222 PolarHBondContact O-N 3.38Å; I222-S224 PolarHBondContact O-N 3.05Å
223E28.3Very low34.5Very low134 Ų134118.5 Ų118.563%0.62663%0.626SS**  trans-93.181.9177.2-73.5176.7-162.700111.1R219 P225R219-E223 IonicContact NE-OE1 2.94Å; E223-P225 WeakPolarHBondContact O-CD 3.3Å
224S24.2Very low32.8Very low101 Ų101122.6 Ų122.671%0.70665%0.652SS**  trans-75.4114.5161.114.80000108.7I222 S226I222-S224 PolarHBondContact O-N 3.05Å; S224-S226 PolarHBondContact O-N 2.89Å
225P31.4Very low31.3Very low133 Ų133126.8 Ų126.886%0.86468%0.679SS**  trans-75.6100179.4-7.925.2000109.3E223E223-P225 WeakPolarHBondContact O-CD 3.3Å
226S22.5Very low29.7Very low106 Ų106124.5 Ų124.574%0.74168%0.681SS**  trans-81.5106.5160.428.50000108S224S224-S226 PolarHBondContact O-N 2.89Å
227Q25.8Very low28.6Very low178 Ų178124.9 Ų124.983%0.83269%0.694SS**  trans156.4102.5140.7-86.3169.227.800111.9
228T20.8Very low28Very low122 Ų122130 Ų13075%0.74873%0.727SS**  trans11127.3130.649.40000118
229T23.8Very low27.2Very low140 Ų140132.7 Ų132.786%0.85974%0.74SS**  -166.3121.3114.2-67.20000109.7
230D18.5Very low26.4Very low148 Ų148131.8 Ų131.879%0.79175%0.748SS**  trans-54144.1168.1-65.4-58.5000112.8
231M25.2Very low25.5Very low170 Ų170136 Ų13684%0.83775%0.754SS**  trans-160.6117.4131-95.3-53.2-77.300109.9
232S20.2Very low25Very low88 Ų88134 Ų13462%0.61576%0.757SS**  trans-57.2143.5163.451.70000113.3
233T25.1Very low24.3Very low135 Ų135133.4 Ų133.483%0.82876%0.76SS**  -165.2130.7115.4140000112.7
234T19.9Very low24.4Very low113 Ų113134 Ų13469%0.69377%0.767SS**  trans-43.6140.8159.546.20000115.1
235N24.6Very low24.6Very low149 Ų149134.5 Ų134.580%0.79776%0.762SS**  168.6131.5107.1-96-12.9000114.3
236D23.2Very low24.7Very low136 Ų136132.3 Ų132.373%0.72775%0.746SS**  trans75.4104.2130.7-131.56.9000121.8
237S22.8Very low25.3Very low97 Ų97133.9 Ų133.968%0.67874%0.739SS**  21.3118.6126.9-27.90000119.1
238V31Very low25.7Very low148 Ų148128.3 Ų128.390%0.89772%0.72SS**  -149.3125.5127.8179.80000108.9
239E23.6Very low26.3Very low141 Ų141126.8 Ų126.866%0.65971%0.707SS**  trans-76.5136166.7-55.4-176.1159.300110.2Y241E239-Y241 HydrophobicContact CB-CE2 4.02Å; E239-Y241 PolarHBondContact OE1-OH 3.32Å; E239-Y241 WeakPolarHBondContact OE2-CE2 3.44Å; E239-Y241 PolarHBondContact OE2-OH 2.89Å
240D24.4Very low26.9Very low155 Ų155125.9 Ų125.983%0.82970%0.697SS**  trans-149.7138141.7-159.58.3000110.3
241Y22.7Very low27.7Very low164 Ų164123.4 Ų123.464%0.64369%0.691SS**  trans-101.6119.1-169.5-50.8-91.9000108.4E239E239-Y241 HydrophobicContact CB-CE2 4.02Å; E239-Y241 PolarHBondContact OE1-OH 3.32Å; E239-Y241 WeakPolarHBondContact OE2-CE2 3.44Å; E239-Y241 PolarHBondContact OE2-OH 2.89Å
242S27.5Very low28.1Very low116 Ų116117.3 Ų117.381%0.81166%0.663SS**  trans-144119.9155.6-81.40000109.7D244S242-D244 PolarHBondContact O-N 3.48Å; S242-D244 VanDerWaalsContact O-N 3.16Å
243V25.5Very low28.6Very low127 Ų127117.4 Ų117.477%0.7766%0.66SS**  trans-78.992.8-178.2178.50000107.6
244D30.5Very low29.1Very low147 Ų147113 Ų11379%0.78663%0.633SS**  trans-120.5108.4150.4-83.2-39.2000106.2S242 V246S242-D244 PolarHBondContact O-N 3.48Å; S242-D244 VanDerWaalsContact O-N 3.16Å; D244-V246 PolarHBondContact O-N 3.28Å
245N28.7Very low29.9Very low111 Ų111112.2 Ų112.259%0.59462%0.62SS**  trans-71.171.1-178.8-97.310.4000110.5
246V32.1Very low30.1Very low88 Ų88112.5 Ų112.553%0.53361%0.614SS.*EExtended strand (participates in β ladder)trans-131.998160.4-178.20000105.8D244 S248D244-V246 PolarHBondContact O-N 3.28Å; V246-S248 VanDerWaalsContact C-N 3.25Å; V246-S248 PolarHBondContact O-N 2.96Å
247K36.5Very low30.4Very low138 Ų138108.5 Ų108.560%0.659%0.592SS**EExtended strand (participates in β ladder)trans-69.291.4166.2-79.4-177.3178.6176.10107.5
248S34.1Very low30.6Very low61 Ų61107.6 Ų107.643%0.42759%0.59SS.*EExtended strand (participates in β ladder)trans-88.2114.5167-164.10000107.4V246V246-S248 VanDerWaalsContact C-N 3.25Å; V246-S248 PolarHBondContact O-N 2.96Å
249I33.5Very low30.4Very low91 Ų91106.4 Ų106.447%0.46758%0.579SS.*EExtended strand (participates in β ladder)trans-101.7103.7167.8-28.9179000105.6S251 Y371I249-S251 PolarHBondContact O-N 3.44Å; I249-S251 VanDerWaalsContact O-N 3.15Å; I249-Y371 HydrophobicContact CD1-CE2 3.91Å; I249-Y371 WeakPolarHBondContact CD1-OH 3.34Å; I249-Y371 HydrophobicContact CG1-CE2 4.11Å
250D35.4Very low30.4Very low121 Ų121105 Ų10565%0.64758%0.583SS**SBendtrans-78.792.9172.1-74.1-36.6000108.1R374D250-R374 VanDerWaalsContact OD1-CD 3.31Å; D250-R374 WeakPolarHBondContact OD1-CD 3.27Å; D250-R374 IonicContact OD1-NE 3.05Å; D250-R374 PolarHBondContact OD1-NE 2.94Å
251S34.6Very low30.3Very low95 Ų95102.6 Ų102.666%0.66458%0.579SS**  trans138.485160.7-171.50000110.1I249I249-S251 PolarHBondContact O-N 3.44Å; I249-S251 VanDerWaalsContact O-N 3.15Å
252V34.9Very low30.5Very low42 Ų42100 Ų10026%0.25558%0.58SS.*  trans-83.7123.8154.5173.70000106.7V254 V373V252-V254 PolarHBondContact O-N 3.25Å; V252-V373 HydrophobicContact CG2-CG1 3.92Å
253T30.2Very low30.2Very low90 Ų90100.3 Ų100.355%0.55258%0.577SS**  trans-67.897174-58.20000108.7K255T253-K255 PolarHBondContact O-N 3.42Å; T253-K255 VanDerWaalsContact O-N 3.1Å
254V35.2Very low30.3Very low42 Ų42101.3 Ų101.326%0.25558%0.576SS.*  trans-69111.9173.7-170.90000108.3V252 K256 V375 Y493V252-V254 PolarHBondContact O-N 3.25Å; V254-K256 PolarHBondContact O-N 2.84Å; V254-V375 HydrophobicContact CG2-CG1 3.91Å; V254-Y493 HydrophobicContact CB-CE1 4.23Å; V254-Y493 HydrophobicContact CG1-CD1 3.59Å; V254-Y493 HydrophobicContact CG1-CE1 3.44Å; V254-Y493 VanDerWaalsContact CG1-CE1 3.44Å
255K37Very low30Very low97 Ų9798.6 Ų98.642%0.42257%0.569SS.*  trans-55.9109.6179.8-72.6168.5174.3170.20109.9F216 T253 I257 D358F216-K255 HydrophobicContact CE1-CD 3.64Å; F216-K255 HydrophobicContact CZ-CB 4.03Å; F216-K255 HydrophobicContact CZ-CD 3.76Å; F216-K255 HydrophobicContact CZ-CG 4.21Å; T253-K255 PolarHBondContact O-N 3.42Å; T253-K255 VanDerWaalsContact O-N 3.1Å; K255-I257 PolarHBondContact O-N 3.24Å; K255-D358 IonicContact NZ-OD2 2.79Å; K255-D358 PolarHBondContact NZ-OD2 3.3Å
256K29.5Very low30Very low155 Ų15598.9 Ų98.967%0.67458%0.577SS**  trans-65119.3177.7-179.9179.8-179.5176.30110.5V254 A258V254-K256 PolarHBondContact O-N 2.84Å; K256-A258 PolarHBondContact O-N 3Å
257I28.3Very low29.7Very low53 Ų53102.2 Ų102.227%0.27259%0.592SS.*  trans-89.287.1172.8-52.9173.1000108.3K255 N259 Y495K255-I257 PolarHBondContact O-N 3.24Å; I257-N259 PolarHBondContact O-N 2.87Å; I257-Y495 PolarHBondContact O-OH 3.14Å
258A28Very low29.1Very low78 Ų78104.3 Ų104.365%0.64560%0.604SS**  trans-72.7110.117200000109.9K256 C260K256-A258 PolarHBondContact O-N 3Å; A258-C260 PolarHBondContact O-N 3.3Å; A258-C260 VanDerWaalsContact O-N 3.15Å
259N26.4Very low28.8Very low122 Ų122109 Ų10965%0.65262%0.624SS**  trans-67108.4159-73.4-8000107.1R212 I257 S261R212-N259 PolarHBondContact NH2-OD1 3.01Å; I257-N259 PolarHBondContact O-N 2.87Å; N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 VanDerWaalsContact O-N 3.14Å
260C23.2Very low28.3Very low111 Ų111109.6 Ų109.675%0.7564%0.636SS**  trans-61.5115.4168.4-168.90000107.7A258 V262A258-C260 PolarHBondContact O-N 3.3Å; A258-C260 VanDerWaalsContact O-N 3.15Å; C260-V262 VanDerWaalsContact C-N 3.26Å; C260-V262 PolarHBondContact O-N 3.49Å
261S23.7Very low28Very low105 Ų105111.4 Ų111.473%0.73464%0.644SS**  trans-63.688.4167.840.60000108.6N259 T263N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 VanDerWaalsContact O-N 3.14Å; S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.78Å
262V26.6Very low27.5Very low111 Ų111115 Ų11567%0.67365%0.648SS**  trans-70.299.1165.1-176.50000106.3C260 I264C260-V262 VanDerWaalsContact C-N 3.26Å; C260-V262 PolarHBondContact O-N 3.49Å; V262-I264 VanDerWaalsContact C-N 3.28Å; V262-I264 HydrophobicContact CG1-CG1 3.79Å; V262-I264 PolarHBondContact O-N 3.35Å
263T21.3Very low27Very low122 Ų122119.5 Ų119.575%0.74867%0.671SS**  trans-64.293.4161.828.70000107.1S261 S265S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.78Å; T263-S265 VanDerWaalsContact C-N 3.28Å; T263-S265 PolarHBondContact O-N 2.67Å; T263-S265 VanDerWaalsContact O-N 3.09Å
264I26.5Very low26.9Very low147 Ų147123.5 Ų123.575%0.75468%0.683SS**  trans-77.491164.3-57.1179.4000105.8V262V262-I264 VanDerWaalsContact C-N 3.28Å; V262-I264 HydrophobicContact CG1-CG1 3.79Å; V262-I264 PolarHBondContact O-N 3.35Å
265S25.3Very low26.5Very low90 Ų90126.2 Ų126.263%0.62970%0.704SS**  trans-63.5131.1162.7-54.90000108.6T263 N267T263-S265 VanDerWaalsContact C-N 3.28Å; T263-S265 PolarHBondContact O-N 2.67Å; T263-S265 VanDerWaalsContact O-N 3.09Å; S265-N267 PolarHBondContact O-N 2.76Å
266P28Very low25.8Very low118 Ų118126.9 Ų126.977%0.76672%0.716SS**  trans-80.8101.4-178.830.9-29.5000108.7
267N25.2Very low25.7Very low157 Ų157127.9 Ų127.984%0.8473%0.727SS**  trans-89.9102161.8-83.3-1.1000108S265 D269S265-N267 PolarHBondContact O-N 2.76Å; N267-D269 PolarHBondContact O-N 2.9Å
268E24.7Very low25.4Very low182 Ų182132 Ų13285%0.8575%0.75SS**  trans-57.9115.6152.7-66.4-163.614600108
269D26.6Very low25.1Very low160 Ų160132.2 Ų132.286%0.85676%0.76SS**  trans-155.1111.2144.3-105.3-29.3000111.4N267N267-D269 PolarHBondContact O-N 2.9Å
270S23.2Very low24.8Very low103 Ų103132 Ų13272%0.7276%0.763SS**  trans-35119163.6-166.70000116.4
271I30.2Very low24.9Very low159 Ų159133.6 Ų133.682%0.81577%0.769SS**  trans-151.694.9146.8-60.2-170.2000107.1
272K22.6Very low24.8Very low172 Ų172136 Ų13675%0.74877%0.769SS**  33103.798.7-70.6-173.1-179.1178.40116.3
273D25.7Very low24.4Very low136 Ų136139 Ų13973%0.72778%0.78SS**  160.6137.2109.8-97.4-34000113.6
274Q27.9Very low24.4Very low173 Ų173141.7 Ų141.781%0.80878%0.784SS**  trans62.5136.1149.4-64.3176.420.300118.8
275S26.3Very low24Very low99 Ų99139.6 Ų139.669%0.69278%0.782SS**  cis-170.1135.85.148.80000109.2
276V23Very low23.7Very low111 Ų111140.4 Ų140.467%0.67379%0.788SS**  trans40.7111.8131.6-169.80000118.4
277L27.6Very low23.5Very low176 Ų176142.6 Ų142.692%0.92179%0.792SS**  -147.6130.6119-92.5-179.2000110.4
278N21.2Very low23.4Very low141 Ų141143.7 Ų143.775%0.75479%0.792SS**  trans-77.4145.7-168.5-68.1-39.1000113.5
279G22.9Very low23.2Very low82 Ų82139.9 Ų139.985%0.84579%0.785SS**  trans-152.566.5163.700000110.1
280T19.8Very low23.5Very low116 Ų116137.8 Ų137.871%0.71278%0.781SS**  trans-80.1119176-57.10000110.3
281V24.3Very low23.6Very low146 Ų146140.8 Ų140.889%0.88578%0.784SS**  trans-146.3134.1138.3-1770000108.2
282Q22.8Very low23.2Very low156 Ų156141 Ų14173%0.72979%0.785SS**  trans-71.9147.7-161.9-67.5173.4-22.900115.3
283L18.5Very low23.5Very low172 Ų172140.9 Ų140.990%0.90179%0.787SS**  trans-62.9129.6142.6-96.790000108.8
284E20Very low23.3Very low179 Ų179143.6 Ų143.684%0.83679%0.792SS**  trans-148.9126.6142.1-112.8179.9-15800111.1
285S18.2Very low23Very low103 Ų103139.5 Ų139.572%0.7279%0.788SS**  trans-79.5148.7168.246.50000111.7
286S19.9Very low23.2Very low107 Ų107143.1 Ų143.175%0.74880%0.799SS**  trans109.1125.5154.4-49.40000116.8
287L23.6Very low23.1Very low164 Ų164143.1 Ų143.186%0.85980%0.804SS**  trans154.6102.9133.7-80.8158000108.8
288H23Very low23.3Very low181 Ų181141.4 Ų141.484%0.83880%0.801SS**  89.8129.891.5-139.568.2000114.2
289S20.8Very low23.3Very low101 Ų101139.8 Ų139.871%0.70680%0.8SS**  trans-59.6165.7173.5-41.90000112.4
290P32.8Very low23.6Very low117 Ų117140 Ų14076%0.7679%0.794SS**  -140.2168.565.429.4-5.1000112.2
291E25.1Very low23.8Very low166 Ų166141.8 Ų141.878%0.77680%0.799SS**  -176.5141.879.3-104.4-179.7137.200110.8
292I20.8Very low24.2Very low164 Ų164141.2 Ų141.284%0.84180%0.796SS**  trans-96.4122.2170.8-67.1167.4000107.9
293Q28.5Very low24.4Very low168 Ų168138 Ų13879%0.78579%0.791SS**  trans-147.4103.3153.5-63.9-167.823.700108.6
294K22.1Very low25.1Very low194 Ų194136.5 Ų136.584%0.84379%0.789SS**  81.7113.691.1-117.6-179-172.6176.40114.8
295A22.6Very low25.5Very low87 Ų87133.9 Ų133.972%0.71978%0.78SS**  trans60.7105.5142.600000118.8
296N30.2Very low25.8Very low175 Ų175134.6 Ų134.694%0.93678%0.776SS**  -146.4120.9124.8-101.2-18.2000110.4
297S20.9Very low26.3Very low110 Ų110138.3 Ų138.377%0.76979%0.787SS**  trans-98.1123.2172.7162.80000107.2
298V30.6Very low26.3Very low140 Ų140134.5 Ų134.585%0.84877%0.774SS**  trans-153110.4146.4-176.30000109.4
299S22.9Very low26.6Very low107 Ų107136.3 Ų136.375%0.74878%0.775SS**  trans13.6127.9140.4-162.40000120.9
300A28.7Very low26.8Very low87 Ų87136.8 Ų136.872%0.71977%0.773SS**  161.610710300000111.9
301D23.1Very low26.5Very low153 Ų153139.3 Ų139.382%0.81878%0.78SS**  38.7105.8127.8-140.84.7000119.5
302V33Very low26.7Very low134 Ų134138.1 Ų138.181%0.81279%0.785SS**  -154.6114.4127.7170.60000107.6V304V302-V304 HydrophobicContact CG1-CG2 4.22Å
303S26.2Very low27.1Very low89 Ų89134.6 Ų134.662%0.62278%0.775SS**  trans-77.6131.3168.5-171.80000110.6
304V34.8Very low27.1Very low141 Ų141133.6 Ų133.686%0.85578%0.775SS**  trans-135.8111.8154.8-139.60000108.1V302V302-V304 HydrophobicContact CG1-CG2 4.22Å
305N27.1Very low27.4Very low124 Ų124132 Ų13266%0.66377%0.774SS**  trans-72.1153.6-178-105.738.5000113.1
306D25Very low27.8Very low118 Ų118132 Ų13263%0.63177%0.769SS**  trans59.9106.9142-74.5-47.1000120.6
307L31.5Very low27.7Very low185 Ų185130.2 Ų130.297%0.96977%0.765SS**  -148.193.7122.5-98.3132.5000109.1
308S22.1Very low28.3Very low84 Ų84132.5 Ų132.559%0.58777%0.768SS**  trans-125.1121.7161.468.80000108.4
309Y30.5Very low28.3Very low219 Ų219132.2 Ų132.286%0.85976%0.761SS**  trans-150.290.1156.3-82.8-71.9000105.8
310T25.1Very low28.7Very low111 Ų111131.9 Ų131.968%0.68176%0.759SS**  78.5104.194.955.60000113.2T312T310-T312 PolarHBondContact O-N 3.27Å
311N24.9Very low28.9Very low169 Ų169135.2 Ų135.290%0.90477%0.765SS**  trans-43.3121.8152-69.8-25.9000110.9
312T31.4Very low29.6Very low141 Ų141137.8 Ų137.887%0.86577%0.769SS**  trans-99.1114.6152.836.40000108T310T310-T312 PolarHBondContact O-N 3.27Å
313S27.8Very low29.6Very low91 Ų91141 Ų14164%0.63677%0.772SS**  trans-70.1158.7163.955.40000110.9
314D28.2Very low29.8Very low146 Ų146142.5 Ų142.578%0.78178%0.781SS**  trans77.6113.8156.7-50.1-43.5000117.7
315L30Very low29.9Very low160 Ų160143.1 Ų143.184%0.83878%0.778SS**  174.2119.399.6-17257.1000112.7
316S30.3Very low30.5Very low87 Ų87145 Ų14561%0.60879%0.788SS**  trans47116.8148.372.60000123
317T27.8Very low31.1Very low138 Ų138144.4 Ų144.485%0.84779%0.789SS**  9.9112.5119.5-41.40000117.9
318L32.8Very low31.5Very low158 Ų158140.2 Ų140.283%0.82777%0.768SS**  trans-146.1120.9147.9-89.3178.9000111.3
319D32.1Very low32.6Very low134 Ų134141.4 Ų141.472%0.71777%0.774SS**  trans32.9116.3149.2-76.8-37.9000123
320S30.8Very low33.5Very low100 Ų100140.1 Ų140.170%0.69977%0.769SS**  13.3107.7114.7-51.40000117.1
321D32.4Very low34.2Very low157 Ų157141.7 Ų141.784%0.8477%0.772SS**  trans158.886.9131-82.8-18.5000109.6
322K38.7Very low34.8Very low207 Ų207140.1 Ų140.190%0.976%0.764SS**  trans-149106156.5-118.7170.2-175.7168.10109.8C324K322-C324 PolarHBondContact O-N 3.04Å
323K32.4Very low35.6Very low202 Ų202136.5 Ų136.588%0.87875%0.748SS**  trans-24.8116.5163.4-80.2174.41691790110.9L325K323-L325 PolarHBondContact O-N 3.35Å
324C31.4Very low36.9Very low120 Ų120136.6 Ų136.681%0.81175%0.749SS**  trans-57.2107155.1-87.70000106.4K322 D326K322-C324 PolarHBondContact O-N 3.04Å; C324-D326 PolarHBondContact O-N 3.41Å
325L36.4Very low39.1Very low154 Ų154135.7 Ų135.781%0.80674%0.743SS**  trans-67109.6153.6-77.7158.6000104.5K323 T327K323-L325 PolarHBondContact O-N 3.35Å; L325-T327 PolarHBondContact O-N 2.93Å; L325-T327 PolarHBondContact O-OG1 3.46Å
326D39.3Very low41.7Very low163 Ų163131.1 Ų131.187%0.87272%0.722SS**  trans-53.491.7165.4-78.7-38.5000107.2C324 D328C324-D326 PolarHBondContact O-N 3.41Å; D326-D328 PolarHBondContact O-N 2.92Å
327T36.7Very low44.7Very low106 Ų106129.2 Ų129.265%0.6571%0.706SS**  trans-80.5100170.4-510000103.8L325 P329L325-T327 PolarHBondContact O-N 2.93Å; L325-T327 PolarHBondContact O-OG1 3.46Å; T327-P329 WeakPolarHBondContact O-CD 3.38Å; T327-P329 VanDerWaalsContact O-N 3.11Å
328D40.7Very low47.6Very low98 Ų98127 Ų12752%0.52469%0.686SS.*  trans-50.4116176.9-161.6-9.7000108.8D326 Y330 L331D326-D328 PolarHBondContact O-N 2.92Å; D328-Y330 PolarHBondContact O-N 3.29Å; D328-Y330 WeakPolarHBondContact OD1-CD2 3.11Å; D328-L331 PolarHBondContact O-N 2.89Å
329P44.9Very low50.4Low109 Ų109123.8 Ų123.871%0.70868%0.682SS**THydrogen-bonded Turntrans-67.20.5-170.123.1-32000114.3T327T327-P329 WeakPolarHBondContact O-CD 3.38Å; T327-P329 VanDerWaalsContact O-N 3.11Å
330Y48.8Very low53.3Low191 Ų191118.9 Ų118.975%0.74966%0.658SS**THydrogen-bonded Turntrans-91.9-11.5-178.6-67.1-74.8000115.5D328 N332D328-Y330 PolarHBondContact O-N 3.29Å; D328-Y330 WeakPolarHBondContact OD1-CD2 3.11Å; Y330-N332 VanDerWaalsContact C-N 3.28Å; Y330-N332 PolarHBondContact O-N 3.34Å
331L39.9Very low56.1Low145 Ų145117.1 Ų117.176%0.75964%0.643SS**THydrogen-bonded Turntrans-75.5-15.6-179.3-72.9173.3000114.1D328D328-L331 PolarHBondContact O-N 2.89Å
332N37.2Very low58.9Low136 Ų136113.9 Ų113.973%0.72763%0.625SS**THydrogen-bonded Turntrans-113.618.7-174.2-55.7-5.7000112.7Y330 S334Y330-N332 VanDerWaalsContact C-N 3.28Å; Y330-N332 PolarHBondContact O-N 3.34Å; N332-S334 PolarHBondContact O-N 3.42Å
333A50.2Low61.4Low64 Ų64106 Ų10653%0.52959%0.59SS.*SBendtrans-57.7109163.600000106.4L335A333-L335 PolarHBondContact O-N 2.99Å
334S53.9Low64Low93 Ų9399.5 Ų99.565%0.6557%0.567SS**  trans-49.6112.5179.1-163.40000107.9N332 V336N332-S334 PolarHBondContact O-N 3.42Å; S334-V336 PolarHBondContact O-N 3.23Å; S334-V336 WeakPolarHBondContact OG-CG2 3.43Å
335L74Confident66.7Low128 Ų12894.7 Ų94.767%0.6753%0.532SS*.  trans-7161.3179.5-62.8172.2000109.6A333 W403A333-L335 PolarHBondContact O-N 2.99Å; L335-W403 HydrophobicContact CB-CH2 4.14Å; L335-W403 HydrophobicContact CD2-CE3 4.2Å; L335-W403 HydrophobicContact CD2-CH2 3.52Å; L335-W403 HydrophobicContact CD2-CZ2 4.46Å; L335-W403 HydrophobicContact CD2-CZ3 3.37Å; L335-W403 HydrophobicContact CG-CH2 4.42Å
336V85.7Confident69.1Low63 Ų6390 Ų9038%0.38252%0.521SS..  trans-100.7112.1-177.2175.20000107.6S334 H338S334-V336 PolarHBondContact O-N 3.23Å; S334-V336 WeakPolarHBondContact OG-CG2 3.43Å; V336-H338 PolarHBondContact O-N 3.11Å
337V91.8Very high71.4Confident48 Ų4884.8 Ų84.829%0.29149%0.491SS..  trans-79.7110.1168.3-174.90000107.8W403 D444 I446 P466V337-W403 HydrophobicContact CG2-CZ2 3.99Å; V337-D444 HydrophobicContact CG2-CB 4.13Å; V337-D444 WeakPolarHBondContact CG2-OD2 3.42Å; V337-I446 HydrophobicContact CG1-CG1 3.94Å; V337-P466 HydrophobicContact CG2-CB 4.04Å
338H89Confident73.8Confident92 Ų9280.5 Ų80.543%0.42647%0.465SS..PPolyproline II helixtrans-75.5158.5178.8-69.4-72.2000111.5V336 H463V336-H338 PolarHBondContact O-N 3.11Å; H338-H463 PolarHBondContact O-CD2 2.84Å; H338-H463 PolarHBondContact O-NE2 2.89Å
339A92.1Very high76.2Confident89 Ų8983.6 Ų83.674%0.73647%0.474SS*.PPolyproline II helixtrans-67.4140.2167.700000109.9
340P92.7Very high78.2Confident32 Ų3282.8 Ų82.821%0.20846%0.46CS..PPolyproline II helixtrans-69.9153.7173.731.1-35.1000110.7L342 W386 I446 I447 H463P340-L342 HydrophobicContact CB-CD2 4.3Å; P340-W386 HydrophobicContact CB-CH2 4.2Å; P340-I446 HydrophobicContact CB-CG2 4Å; P340-I446 HydrophobicContact CG-CG2 3.87Å; P340-I447 HydrophobicContact CB-CD1 4.13Å; P340-I447 HydrophobicContact CB-CG1 4.21Å; P340-I447 HydrophobicContact CG-CD1 4.01Å; P340-I447 HydrophobicContact CG-CG1 3.59Å; P340-H463 HydrophobicContact CB-CB 4.49Å
341T89.9Confident80Confident62 Ų6274 Ų7438%0.3843%0.426SS..EExtended strand (participates in β ladder)trans-98.1128167.4-57.60000108.4W343 G461 S462T341-W343 HydrophobicContact CG2-CE3 4.19Å; T341-W343 HydrophobicContact CG2-CZ3 4.22Å; T341-G461 CarbonylContact O-C 3.53Å; T341-G461 WeakPolarHBondContact O-CA 3.47Å; T341-S462 PolarHBondContact N-O 3.46Å; T341-S462 PolarHBondContact O-N 3.35Å
342L90.7Very high82.4Confident90 Ų9068.4 Ų68.447%0.47140%0.396SS..EExtended strand (participates in β ladder)trans-125143.7-174-57.9178000110.9P340 W386 I447P340-L342 HydrophobicContact CB-CD2 4.3Å; L342-W386 HydrophobicContact CD2-CH2 4.44Å; L342-W386 HydrophobicContact CD2-CZ2 3.65Å; L342-I447 HydrophobicContact CD1-CD1 4.48Å; L342-I447 HydrophobicContact CD2-CD1 3.72Å
343W90.8Very high84.8Confident42 Ų4267 Ų6716%0.15939%0.385CS..EExtended strand (participates in β ladder)trans-157.3171.8177.96899.7000113.1Q171 T341 V385 C460 G461Q171-W343 HydrophobicContact CG-CB 4.48Å; Q171-W343 VanDerWaalsContact OE1-CB 3.29Å; T341-W343 HydrophobicContact CG2-CE3 4.19Å; T341-W343 HydrophobicContact CG2-CZ3 4.22Å; W343-V385 HydrophobicContact CH2-CG1 4.26Å; W343-V385 HydrophobicContact CZ2-CG1 4.49Å; W343-C460 HydrophobicContact CD2-CB 3.66Å; W343-C460 HydrophobicContact CE3-CB 4.49Å; W343-C460 HydrophobicContact CG-CB 3.79Å; W343-C460 HydrophobicContact CZ2-CB 3.76Å; W343-C460 PolarHBondContact N-O 3.34Å; W343-C460 WeakPolarHBondContact O-CA 3.34Å; W343-C460 PolarHBondContact O-N 3.3Å; W343-C460 VanDerWaalsContact O-O 3.04Å; W343-G461 VanDerWaalsContact CZ3-C 3.44Å; W343-G461 VanDerWaalsContact CZ3-CA 3.42Å
344T88.9Confident86.5Confident65 Ų6566.3 Ų66.340%0.39938%0.375SS..EExtended strand (participates in β ladder)trans-130.8159.4175.9640000112.3E457 V458T344-E457 WeakPolarHBondContact CB-OE2 2.84Å; T344-E457 HydrophobicContact CG2-CB 4.45Å; T344-E457 WeakPolarHBondContact CG2-OE2 3.49Å; T344-E457 PolarHBondContact OG1-OE2 3.04Å; T344-V458 CarbonylContact C-O 3.54Å; T344-V458 WeakPolarHBondContact CA-O 3.48Å
345R87.3Confident88.1Confident19 Ų1962.1 Ų62.17%0.07235%0.345CS..EExtended strand (participates in β ladder)trans-129.6147.2174.8-58.8170.454.7-169-2.5111.3Y206 E347 E387 E457 V458Y206-R345 WeakPolarHBondContact OH-CD 3.31Å; R345-E347 IonicContact CZ-OE2 2.82Å; R345-E347 IonicContact NE-OE2 2.72Å; R345-E347 PolarHBondContact NE-OE2 2.89Å; R345-E347 IonicContact NH2-OE2 3.21Å; R345-E347 PolarHBondContact NH2-OE2 3.02Å; R345-E387 IonicContact NH1-OE2 2.86Å; R345-E387 PolarHBondContact NH1-OE2 3.29Å; R345-E457 CarbonylContact O-C 3.58Å; R345-E457 WeakPolarHBondContact O-CA 3.34Å; R345-E457 WeakPolarHBondContact O-CB 3.3Å; R345-V458 HydrophobicContact CB-CB 4.15Å; R345-V458 PolarHBondContact N-O 3.3Å; R345-V458 PolarHBondContact O-N 3.03Å
346G87.2Confident88.8Confident56 Ų5658.3 Ų58.358%0.57733%0.327SS*.SBendtrans-81.9-18.8-177.700000115.2V348G346-V348 PolarHBondContact O-N 2.86Å
347E86.5Confident88.6Confident52 Ų5263.1 Ų63.124%0.24335%0.346CS..  trans-78.948.1-173.7-48.782.2-136.600113.3R345 K349 E350 F351R345-E347 IonicContact CZ-OE2 2.82Å; R345-E347 IonicContact NE-OE2 2.72Å; R345-E347 PolarHBondContact NE-OE2 2.89Å; R345-E347 IonicContact NH2-OE2 3.21Å; R345-E347 PolarHBondContact NH2-OE2 3.02Å; E347-K349 VanDerWaalsContact C-N 3.3Å; E347-K349 PolarHBondContact O-N 3.48Å; E347-E350 WeakPolarHBondContact CA-OE2 3.48Å; E347-E350 HydrophobicContact CB-CB 4.37Å; E347-E350 PolarHBondContact O-N 2.96Å; E347-F351 WeakPolarHBondContact O-CB 3.3Å; E347-F351 PolarHBondContact O-N 2.86Å
348V88.6Confident88.2Confident17 Ų1762.8 Ų62.810%0.10334%0.342CS..Hα-helixtrans-64.2-32.8-172.673.10000112.8G346 K352 A389 V458G346-V348 PolarHBondContact O-N 2.86Å; V348-K352 VanDerWaalsContact O-CG 3.24Å; V348-K352 WeakPolarHBondContact O-CG 3.46Å; V348-K352 PolarHBondContact O-N 2.86Å; V348-A389 HydrophobicContact CG2-CB 3.79Å; V348-V458 HydrophobicContact CB-CG2 4.27Å; V348-V458 HydrophobicContact CG2-CG2 4.37Å
349K89.6Confident88.2Confident163 Ų16366.9 Ų66.971%0.70936%0.362SS*.Hα-helixtrans-73.4-45.7-177.9-67.3-179.3-178.31750111.1E347 K352 H353E347-K349 VanDerWaalsContact C-N 3.3Å; E347-K349 PolarHBondContact O-N 3.48Å; K349-K352 PolarHBondContact O-N 3.12Å; K349-H353 WeakPolarHBondContact O-CB 3.35Å; K349-H353 PolarHBondContact O-N 3.42Å
350E86.7Confident87.9Confident92 Ų9267.5 Ų67.543%0.4335%0.35SS..Hα-helixtrans-64.5-43.8178.7-63.869.9-154.900110E347 H353 C354E347-E350 WeakPolarHBondContact CA-OE2 3.48Å; E347-E350 HydrophobicContact CB-CB 4.37Å; E347-E350 PolarHBondContact O-N 2.96Å; E350-H353 PolarHBondContact O-N 2.92Å; E350-C354 WeakPolarHBondContact O-CB 3.39Å; E350-C354 PolarHBondContact O-N 3.35Å; E350-C354 PolarHBondContact O-SG 3.31Å
351F87.7Confident87.9Confident7 Ų766.6 Ų66.63%0.03134%0.344CS..Hα-helixtrans-55.7-52.6175.3172.3-103.6000112.3E347 H353 C354 L355 E387 A389 V458E347-F351 WeakPolarHBondContact O-CB 3.3Å; E347-F351 PolarHBondContact O-N 2.86Å; F351-H353 PolarHBondContact O-N 3.08Å; F351-C354 PolarHBondContact O-N 2.72Å; F351-L355 HydrophobicContact CD2-CD1 4.24Å; F351-L355 HydrophobicContact CE1-CD1 3.88Å; F351-L355 HydrophobicContact CE2-CD1 3.5Å; F351-L355 VanDerWaalsContact CE2-CD1 3.5Å; F351-L355 HydrophobicContact CE2-CG 4.39Å; F351-L355 HydrophobicContact CZ-CD1 3.31Å; F351-L355 PolarHBondContact O-N 2.9Å; F351-E387 HydrophobicContact CE2-CB 4.37Å; F351-E387 VanDerWaalsContact CE2-CD 3.44Å; F351-E387 HydrophobicContact CE2-CG 3.68Å; F351-E387 VanDerWaalsContact CE2-OE1 3.29Å; F351-E387 WeakPolarHBondContact CE2-OE1 3.15Å; F351-E387 HydrophobicContact CZ-CG 4.08Å; F351-A389 HydrophobicContact CD1-CB 3.61Å; F351-A389 HydrophobicContact CE1-CB 3.63Å; F351-V458 HydrophobicContact CB-CG2 3.64Å; F351-V458 HydrophobicContact CD1-CG1 3.99Å; F351-V458 HydrophobicContact CD1-CG2 3.87Å; F351-V458 HydrophobicContact CD2-CG1 4.12Å; F351-V458 HydrophobicContact CD2-CG2 4.48Å; F351-V458 HydrophobicContact CE1-CG1 4.05Å; F351-V458 HydrophobicContact CE2-CG1 4.2Å; F351-V458 HydrophobicContact CG-CG1 4.02Å; F351-V458 HydrophobicContact CG-CG2 3.73Å; F351-V458 HydrophobicContact CZ-CG1 4.15Å
352K90.1Very high88.2Confident27 Ų2765.5 Ų65.512%0.11734%0.337CS..Hα-helixtrans-61.3-43.4178.2-69.2174.6177.2-175.70112.2V348 K349 C354 L355 T356 A389 T390 D391 Y488V348-K352 VanDerWaalsContact O-CG 3.24Å; V348-K352 WeakPolarHBondContact O-CG 3.46Å; V348-K352 PolarHBondContact O-N 2.86Å; K349-K352 PolarHBondContact O-N 3.12Å; K352-C354 VanDerWaalsContact C-N 3.31Å; K352-C354 PolarHBondContact O-N 3.39Å; K352-L355 PolarHBondContact O-N 3.43Å; K352-L355 VanDerWaalsContact O-N 3.13Å; K352-T356 PolarHBondContact O-N 3.45Å; K352-T356 PolarHBondContact O-OG1 2.87Å; K352-A389 HydrophobicContact CG-CB 4.32Å; K352-T390 WeakPolarHBondContact CE-O 3.46Å; K352-T390 VanDerWaalsContact NZ-C 3.33Å; K352-T390 PolarHBondContact NZ-O 3.08Å; K352-D391 WeakPolarHBondContact CD-OD1 3.43Å; K352-D391 WeakPolarHBondContact CE-OD1 3.32Å; K352-D391 IonicContact NZ-OD1 3.53Å; K352-D391 PolarHBondContact NZ-OD1 3.02Å; K352-Y488 HydrophobicContact CB-CD1 3.99Å; K352-Y488 HydrophobicContact CB-CD2 4.32Å; K352-Y488 HydrophobicContact CB-CE1 3.97Å; K352-Y488 HydrophobicContact CB-CE2 4.31Å; K352-Y488 HydrophobicContact CB-CG 4.17Å; K352-Y488 HydrophobicContact CD-CD2 4.08Å; K352-Y488 HydrophobicContact CD-CE2 3.91Å; K352-Y488 HydrophobicContact CG-CD1 4.14Å; K352-Y488 HydrophobicContact CG-CD2 3.64Å; K352-Y488 HydrophobicContact CG-CE1 4.34Å; K352-Y488 HydrophobicContact CG-CE2 3.86Å; K352-Y488 HydrophobicContact CG-CG 3.8Å
353H87.3Confident88.4Confident107 Ų10763 Ų6350%0.49532%0.323SS..Hα-helixtrans-61.9-40.2179-176.139.5000112K349 E350 F351 L355 T356K349-H353 WeakPolarHBondContact O-CB 3.35Å; K349-H353 PolarHBondContact O-N 3.42Å; E350-H353 PolarHBondContact O-N 2.92Å; F351-H353 PolarHBondContact O-N 3.08Å; H353-L355 PolarHBondContact O-N 2.99Å; H353-T356 PolarHBondContact O-N 2.95Å
354C86.2Confident88.6Confident49 Ų4967 Ų6733%0.33134%0.339SS..Hα-helixtrans-65.7-21.4177.6-68.10000113.7E350 F351 K352E350-C354 WeakPolarHBondContact O-CB 3.39Å; E350-C354 PolarHBondContact O-N 3.35Å; E350-C354 PolarHBondContact O-SG 3.31Å; F351-C354 PolarHBondContact O-N 2.72Å; K352-C354 VanDerWaalsContact C-N 3.31Å; K352-C354 PolarHBondContact O-N 3.39Å
355L87.7Confident88.9Confident4 Ų464 Ų642%0.02132%0.32CS..Hα-helixtrans-102.9-11.5-178.7-67.1-176.5000113.8F351 K352 H353 E357 D358 V362 Y488 R490F351-L355 HydrophobicContact CD2-CD1 4.24Å; F351-L355 HydrophobicContact CE1-CD1 3.88Å; F351-L355 HydrophobicContact CE2-CD1 3.5Å; F351-L355 VanDerWaalsContact CE2-CD1 3.5Å; F351-L355 HydrophobicContact CE2-CG 4.39Å; F351-L355 HydrophobicContact CZ-CD1 3.31Å; F351-L355 PolarHBondContact O-N 2.9Å; K352-L355 PolarHBondContact O-N 3.43Å; K352-L355 VanDerWaalsContact O-N 3.13Å; H353-L355 PolarHBondContact O-N 2.99Å; L355-E357 PolarHBondContact O-N 3.29Å; L355-E357 VanDerWaalsContact O-N 3.17Å; L355-D358 PolarHBondContact O-N 3.29Å; L355-V362 HydrophobicContact CB-CG2 4.4Å; L355-V362 WeakPolarHBondContact O-CG2 3.3Å; L355-Y488 HydrophobicContact CB-CD1 4.19Å; L355-R490 HydrophobicContact CD1-CG 4.04Å; L355-R490 HydrophobicContact CD2-CG 3.85Å
356T87.9Confident89.1Confident48 Ų4865.3 Ų65.329%0.29433%0.329SS..THydrogen-bonded Turntrans-58.4-33.8-175.2-56.40000112.3L131 K352 H353 D358L131-T356 HydrophobicContact CD2-CG2 4.02Å; K352-T356 PolarHBondContact O-N 3.45Å; K352-T356 PolarHBondContact O-OG1 2.87Å; H353-T356 PolarHBondContact O-N 2.95Å; T356-D358 VanDerWaalsContact C-N 3.35Å
357E82.1Confident89.2Confident164 Ų16464.2 Ų64.277%0.76631%0.312SS*.THydrogen-bonded Turntrans-82-9179.9-54.2-60.5144.200113.8L355L355-E357 PolarHBondContact O-N 3.29Å; L355-E357 VanDerWaalsContact O-N 3.17Å
358D84Confident89.3Confident41 Ų4163.7 Ų63.722%0.21932%0.32CS..  trans-103.894.4179.3-171.3-10.9000109.4K255 L355 T356 E360 S361 V362K255-D358 IonicContact NZ-OD2 2.79Å; K255-D358 PolarHBondContact NZ-OD2 3.3Å; L355-D358 PolarHBondContact O-N 3.29Å; T356-D358 VanDerWaalsContact C-N 3.35Å; D358-E360 PolarHBondContact O-N 2.95Å; D358-E360 VanDerWaalsContact O-N 3.12Å; D358-E360 PolarHBondContact OD1-N 3.32Å; D358-S361 VanDerWaalsContact CG-OG 3.3Å; D358-S361 WeakPolarHBondContact O-CA 3.43Å; D358-S361 WeakPolarHBondContact O-CB 3.47Å; D358-S361 PolarHBondContact O-N 3.34Å; D358-S361 PolarHBondContact OD2-OG 2.87Å; D358-S361 VanDerWaalsContact OD2-OG 3.1Å; D358-V362 PolarHBondContact O-N 2.98Å
359E87.4Confident89.5Confident178 Ų17864.7 Ų64.783%0.83232%0.324SS*.G310 helixtrans-56.1-28.4-177-66.1-172.6170.300113.3S361E359-S361 VanDerWaalsContact C-N 3.3Å; E359-S361 PolarHBondContact O-N 3.2Å
360E87.8Confident89.8Confident103 Ų10358.9 Ų58.948%0.48130%0.302SS..G310 helixtrans-75.1-22177.3-63.7-171158.300112.7D358 Y489D358-E360 PolarHBondContact O-N 2.95Å; D358-E360 VanDerWaalsContact O-N 3.12Å; D358-E360 PolarHBondContact OD1-N 3.32Å; E360-Y489 VanDerWaalsContact O-CE1 3.29Å; E360-Y489 WeakPolarHBondContact O-CE1 3.2Å; E360-Y489 PolarHBondContact O-OH 3.5Å
361S92.5Very high90.3Very high12 Ų1255.2 Ų55.28%0.08428%0.284CS..G310 helixtrans-92.8-5.5-179-62.40000113.2D358 E359 Y488 Y489D358-S361 VanDerWaalsContact CG-OG 3.3Å; D358-S361 WeakPolarHBondContact O-CA 3.43Å; D358-S361 WeakPolarHBondContact O-CB 3.47Å; D358-S361 PolarHBondContact O-N 3.34Å; D358-S361 PolarHBondContact OD2-OG 2.87Å; D358-S361 VanDerWaalsContact OD2-OG 3.1Å; E359-S361 VanDerWaalsContact C-N 3.3Å; E359-S361 PolarHBondContact O-N 3.2Å; S361-Y488 CarbonylContact O-C 3.47Å; S361-Y488 VanDerWaalsContact O-CA 3.32Å; S361-Y488 WeakPolarHBondContact O-CA 3.4Å; S361-Y489 WeakPolarHBondContact CB-O 3.34Å; S361-Y489 WeakPolarHBondContact O-CD1 3.33Å; S361-Y489 PolarHBondContact O-N 3.48Å
362V95.1Very high90.7Very high40 Ų4055.4 Ų55.424%0.24229%0.286CS..EExtended strand (participates in β ladder)trans-125.3119.6-177.9-172.70000110.4L355 D358 T486 L487 Y488L355-V362 HydrophobicContact CB-CG2 4.4Å; L355-V362 WeakPolarHBondContact O-CG2 3.3Å; D358-V362 PolarHBondContact O-N 2.98Å; V362-T486 HydrophobicContact CG1-CG2 3.6Å; V362-L487 CarbonylContact C-O 3.52Å; V362-L487 WeakPolarHBondContact CA-O 3.35Å; V362-Y488 HydrophobicContact CG1-CD1 4.19Å; V362-Y488 HydrophobicContact CG1-CE1 4.01Å; V362-Y488 HydrophobicContact CG2-CD1 3.64Å; V362-Y488 HydrophobicContact CG2-CE1 3.96Å
363I94.5Very high91Very high36 Ų3654.2 Ų54.219%0.18528%0.281CS..EExtended strand (participates in β ladder)trans-132.9139.6179.2-169.2169.1000112.8I365 Y371 T486 L487 Y489I363-I365 HydrophobicContact CG2-CG1 4.34Å; I363-Y371 HydrophobicContact CD1-CD1 3.83Å; I363-Y371 HydrophobicContact CD1-CD2 3.53Å; I363-Y371 HydrophobicContact CD1-CE1 3.45Å; I363-Y371 VanDerWaalsContact CD1-CE1 3.45Å; I363-Y371 HydrophobicContact CD1-CE2 3.15Å; I363-Y371 HydrophobicContact CD1-CG 3.85Å; I363-Y371 HydrophobicContact CG2-CD1 4.12Å; I363-Y371 HydrophobicContact CG2-CE1 4.06Å; I363-T486 CarbonylContact O-C 3.46Å; I363-L487 HydrophobicContact CG2-CB 3.83Å; I363-L487 HydrophobicContact CG2-CD2 3.78Å; I363-L487 HydrophobicContact CG2-CG 4.2Å; I363-L487 PolarHBondContact N-O 3.43Å; I363-L487 PolarHBondContact O-N 3.15Å; I363-Y489 HydrophobicContact CG2-CD1 4.49Å; I363-Y489 HydrophobicContact CG2-CE1 4.37Å
364R95Very high91.5Very high128 Ų12852.1 Ų52.148%0.48327%0.269SS..EExtended strand (participates in β ladder)trans-93.4116.8172.5-170.5169.6177.4-79.7-3.4110.8N366 S484 K485R364-N366 PolarHBondContact NH1-OD1 3.28Å; R364-S484 PolarHBondContact NH2-OG 3.2Å; R364-K485 CarbonylContact C-O 3.56Å; R364-K485 WeakPolarHBondContact CA-O 3.38Å
365I95.2Very high91.8Very high2 Ų250 Ų501%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-100.7115.8177.2-54.2174000107.9I363 E369 Y371 I395 F475 N477 S484 K485 L487I363-I365 HydrophobicContact CG2-CG1 4.34Å; I365-E369 HydrophobicContact CG2-CB 4.25Å; I365-Y371 HydrophobicContact CD1-CG 4.49Å; I365-Y371 HydrophobicContact CG1-CG 4.45Å; I365-I395 HydrophobicContact CD1-CD1 3.51Å; I365-F475 HydrophobicContact CD1-CB 3.56Å; I365-F475 HydrophobicContact CD1-CG 4.42Å; I365-N477 HydrophobicContact CG2-CB 3.64Å; I365-N477 PolarHBondContact O-ND2 2.86Å; I365-S484 CarbonylContact O-C 3.17Å; I365-S484 VanDerWaalsContact O-CA 3.31Å; I365-S484 WeakPolarHBondContact O-CA 3.31Å; I365-K485 PolarHBondContact N-O 3.05Å; I365-K485 PolarHBondContact O-N 3.41Å; I365-L487 HydrophobicContact CD1-CB 4.04Å; I365-L487 HydrophobicContact CD1-CD2 3.86Å
366N92.2Very high92.2Very high46 Ų4657 Ų5725%0.24629%0.287CS..  trans-70.9165.3-177.4-56.4-58.7000111.5R364 G368 E369 N477R364-N366 PolarHBondContact NH1-OD1 3.28Å; N366-G368 PolarHBondContact O-N 3.31Å; N366-E369 VanDerWaalsContact CB-CD 3.45Å; N366-E369 HydrophobicContact CB-CG 4.05Å; N366-E369 WeakPolarHBondContact CB-OE2 3.42Å; N366-E369 PolarHBondContact N-OE2 3.37Å; N366-E369 VanDerWaalsContact ND2-CD 3.33Å; N366-E369 PolarHBondContact ND2-OE1 3.07Å; N366-E369 PolarHBondContact ND2-OE2 3.43Å; N366-E369 PolarHBondContact O-N 2.84Å; N366-N477 VanDerWaalsContact C-ND2 3.35Å; N366-N477 PolarHBondContact O-ND2 3.08Å
367S88.9Confident92.4Very high33 Ų3355.9 Ų55.923%0.23128%0.28CS..THydrogen-bonded Turntrans-61.9131.2172.3-150.90000110.7E369 S480 L481 W482 R483S367-E369 VanDerWaalsContact C-N 3.33Å; S367-S480 VanDerWaalsContact OG-CB 3.3Å; S367-S480 WeakPolarHBondContact OG-CB 3.46Å; S367-S480 PolarHBondContact OG-O 3.04Å; S367-L481 PolarHBondContact OG-N 3.42Å; S367-L481 PolarHBondContact OG-O 3.04Å; S367-W482 WeakPolarHBondContact OG-CA 3.47Å; S367-W482 PolarHBondContact OG-N 3.33Å; S367-R483 PolarHBondContact OG-N 3.09Å
368G88.3Confident92.6Very high40 Ų4050.8 Ų50.841%0.41226%0.256SS..THydrogen-bonded Turntrans83.66.1-179.600000114.4N366 N477 S480N366-G368 PolarHBondContact O-N 3.31Å; G368-N477 PolarHBondContact N-O 2.82Å; G368-S480 PolarHBondContact N-O 2.83Å; G368-S480 VanDerWaalsContact N-O 3.14Å
369E92.6Very high92.7Very high38 Ų3855 Ų5518%0.17829%0.286CS..  trans-108.4155-179.3-67.6-178.6168.200112.6I365 N366 S367 N477 S478I365-E369 HydrophobicContact CG2-CB 4.25Å; N366-E369 VanDerWaalsContact CB-CD 3.45Å; N366-E369 HydrophobicContact CB-CG 4.05Å; N366-E369 WeakPolarHBondContact CB-OE2 3.42Å; N366-E369 PolarHBondContact N-OE2 3.37Å; N366-E369 VanDerWaalsContact ND2-CD 3.33Å; N366-E369 PolarHBondContact ND2-OE1 3.07Å; N366-E369 PolarHBondContact ND2-OE2 3.43Å; N366-E369 PolarHBondContact O-N 2.84Å; S367-E369 VanDerWaalsContact C-N 3.33Å; E369-N477 CarbonylContact O-C 3.52Å; E369-N477 WeakPolarHBondContact O-CA 3.45Å; E369-N477 WeakPolarHBondContact O-CB 3.26Å; E369-N477 PolarHBondContact O-N 3.36Å; E369-S478 PolarHBondContact O-N 3.28Å
370V96.2Very high92.6Very high41 Ų4149.9 Ų49.925%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-117.5131.4166.4-177.30000107.8K474 F475 D476V370-K474 HydrophobicContact CG1-CB 4.48Å; V370-F475 WeakPolarHBondContact CA-O 3.3Å; V370-D476 HydrophobicContact CG1-CB 4.43Å; V370-D476 HydrophobicContact CG2-CB 4.29Å; V370-D476 WeakPolarHBondContact CG2-OD1 3.46Å
371Y97.2Very high92.4Very high16 Ų1645.6 Ų45.66%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-107.5137.2174.6-176.5-109.5000110.2I249 I363 I365 V373 F475I249-Y371 HydrophobicContact CD1-CE2 3.91Å; I249-Y371 WeakPolarHBondContact CD1-OH 3.34Å; I249-Y371 HydrophobicContact CG1-CE2 4.11Å; I363-Y371 HydrophobicContact CD1-CD1 3.83Å; I363-Y371 HydrophobicContact CD1-CD2 3.53Å; I363-Y371 HydrophobicContact CD1-CE1 3.45Å; I363-Y371 VanDerWaalsContact CD1-CE1 3.45Å; I363-Y371 HydrophobicContact CD1-CE2 3.15Å; I363-Y371 HydrophobicContact CD1-CG 3.85Å; I363-Y371 HydrophobicContact CG2-CD1 4.12Å; I363-Y371 HydrophobicContact CG2-CE1 4.06Å; I365-Y371 HydrophobicContact CD1-CG 4.49Å; I365-Y371 HydrophobicContact CG1-CG 4.45Å; Y371-V373 HydrophobicContact CD1-CG2 4.07Å; Y371-V373 HydrophobicContact CE1-CG2 3.4Å; Y371-V373 VanDerWaalsContact CE1-CG2 3.4Å; Y371-F475 HydrophobicContact CD1-CD2 4.3Å; Y371-F475 PolarHBondContact N-O 3.16Å; Y371-F475 PolarHBondContact O-N 3.42Å
372S97.3Very high92.1Very high10 Ų1048 Ų487%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-124.9125.5-178.4-61.80000111.3F473S372-F473 CarbonylContact C-O 3.5Å; S372-F473 VanDerWaalsContact CA-O 3.24Å; S372-F473 WeakPolarHBondContact CA-O 3.41Å
373V96Very high91.8Very high2 Ų246.8 Ų46.81%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-101.3126.4171.8-1790000108.6V252 Y371 V375 V472 F473 F475 Y489V252-V373 HydrophobicContact CG2-CG1 3.92Å; Y371-V373 HydrophobicContact CD1-CG2 4.07Å; Y371-V373 HydrophobicContact CE1-CG2 3.4Å; Y371-V373 VanDerWaalsContact CE1-CG2 3.4Å; V373-V375 HydrophobicContact CG1-CG2 3.99Å; V373-V472 WeakPolarHBondContact O-CA 3.38Å; V373-F473 HydrophobicContact CB-CB 4.17Å; V373-F473 PolarHBondContact N-O 3.29Å; V373-F473 PolarHBondContact O-N 2.97Å; V373-F475 HydrophobicContact CG2-CE2 4.18Å; V373-Y489 HydrophobicContact CG1-CE2 4.14Å; V373-Y489 HydrophobicContact CG2-CD2 4.43Å; V373-Y489 HydrophobicContact CG2-CE2 3.79Å
374R96.9Very high91.6Very high64 Ų6445.1 Ų45.124%0.24225%0.252CS..EExtended strand (participates in β ladder)trans-108.2124.4-178.3-63.7172.565.476.63.4109.6D250 E402 T470 Y471 V472D250-R374 VanDerWaalsContact OD1-CD 3.31Å; D250-R374 WeakPolarHBondContact OD1-CD 3.27Å; D250-R374 IonicContact OD1-NE 3.05Å; D250-R374 PolarHBondContact OD1-NE 2.94Å; R374-E402 IonicContact CZ-OE1 3.65Å; R374-E402 IonicContact CZ-OE2 2.73Å; R374-E402 VanDerWaalsContact CZ-OE2 3.28Å; R374-E402 IonicContact NH1-OE1 3.69Å; R374-E402 PolarHBondContact NH1-OE1 3.13Å; R374-E402 IonicContact NH1-OE2 2.64Å; R374-E402 PolarHBondContact NH1-OE2 3.29Å; R374-E402 IonicContact NH2-OE1 2.78Å; R374-E402 IonicContact NH2-OE2 3.22Å; R374-E402 PolarHBondContact NH2-OE2 3.2Å; R374-T470 HydrophobicContact CB-CG2 4.03Å; R374-Y471 CarbonylContact C-O 3.57Å; R374-Y471 VanDerWaalsContact CA-O 3.31Å; R374-Y471 WeakPolarHBondContact CA-O 3.29Å; R374-V472 HydrophobicContact CG-CG1 4.41Å; R374-V472 HydrophobicContact CG-CG2 4.35Å
375V94Very high91.4Very high4 Ų439.5 Ų39.52%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-129.5111.4-175.7-176.90000109.9V254 V373 I384 T470 Y471 F473 V491V254-V375 HydrophobicContact CG2-CG1 3.91Å; V373-V375 HydrophobicContact CG1-CG2 3.99Å; V375-I384 HydrophobicContact CB-CD1 4.04Å; V375-I384 HydrophobicContact CG1-CD1 3.8Å; V375-T470 CarbonylContact O-C 3.59Å; V375-Y471 PolarHBondContact N-O 3.42Å; V375-Y471 PolarHBondContact O-N 3.07Å; V375-F473 HydrophobicContact CB-CE2 4.18Å; V375-F473 HydrophobicContact CG2-CD2 4.15Å; V375-F473 HydrophobicContact CG2-CE2 3.85Å; V375-V491 HydrophobicContact CG2-CB 4.49Å; V375-V491 HydrophobicContact CG2-CG1 4.07Å
376Q95.1Very high91.4Very high151 Ų15139.7 Ų39.771%0.70623%0.233SC*.EExtended strand (participates in β ladder)trans-68.4141.1174.6-70.5-178.9-1.800110.9H378 T470Q376-H378 PolarHBondContact O-N 3.45Å; Q376-T470 HydrophobicContact CG-CG2 4.49Å
377T91.9Very high91.6Very high24 Ų2437.8 Ų37.815%0.14722%0.222CC..PPolyproline II helixtrans-61.9131.9169.546.80000110.2F401 Y465 G469 Y471T377-F401 HydrophobicContact CG2-CE2 3.7Å; T377-F401 HydrophobicContact CG2-CZ 4.1Å; T377-Y465 HydrophobicContact CG2-CD1 4.12Å; T377-Y465 HydrophobicContact CG2-CD2 3.93Å; T377-Y465 HydrophobicContact CG2-CE1 4.15Å; T377-Y465 HydrophobicContact CG2-CE2 3.96Å; T377-Y465 HydrophobicContact CG2-CG 4Å; T377-G469 PolarHBondContact N-O 3.47Å; T377-G469 PolarHBondContact OG1-N 2.93Å; T377-G469 PolarHBondContact OG1-O 3.37Å; T377-Y471 HydrophobicContact CG2-CD2 4.12Å; T377-Y471 HydrophobicContact CG2-CE2 3.8Å
378H86.6Confident92Very high58 Ų5836.3 Ų36.327%0.26921%0.212SC..PPolyproline II helixtrans-82.5136.4175.6-173.3-89.3000109.6Q376 S380 G381 Y493Q376-H378 PolarHBondContact O-N 3.45Å; H378-S380 PolarHBondContact ND1-N 3.18Å; H378-S380 VanDerWaalsContact ND1-N 3.16Å; H378-S380 PolarHBondContact O-N 3.27Å; H378-S380 VanDerWaalsContact O-N 3.07Å; H378-G381 PolarHBondContact O-N 3.47Å; H378-Y493 HydrophobicContact CB-CD1 4.23Å; H378-Y493 HydrophobicContact CB-CD2 4.24Å; H378-Y493 HydrophobicContact CB-CE1 4.22Å; H378-Y493 HydrophobicContact CB-CE2 4.23Å; H378-Y493 HydrophobicContact CB-CG 4.26Å
379P87Confident92.5Very high130 Ų13034.4 Ų34.484%0.84419%0.192SC*.THydrogen-bonded Turntrans-57.1-29.1-177.2-28.235000115
380S84.3Confident92.7Very high70 Ų7032.6 Ų32.649%0.4918%0.183SC..THydrogen-bonded Turntrans-98-1.6175.8-44.90000113.8H378 Y495H378-S380 PolarHBondContact ND1-N 3.18Å; H378-S380 VanDerWaalsContact ND1-N 3.16Å; H378-S380 PolarHBondContact O-N 3.27Å; H378-S380 VanDerWaalsContact O-N 3.07Å; S380-Y495 WeakPolarHBondContact O-CD1 3.42Å
381G84.2Confident92.6Very high12 Ų1231.9 Ų31.912%0.12418%0.178CC..  trans-81.5152.1179.900000111.6H378 Y465 T494H378-G381 PolarHBondContact O-N 3.47Å; G381-Y465 VanDerWaalsContact C-CE2 3.42Å; G381-Y465 WeakPolarHBondContact O-CD2 3.42Å; G381-Y465 WeakPolarHBondContact O-CE2 3.17Å; G381-T494 CarbonylContact C-O 3.5Å; G381-T494 VanDerWaalsContact CA-O 3.24Å; G381-T494 WeakPolarHBondContact CA-O 3.38Å
382T85.5Confident92.2Very high64 Ų6435.2 Ų35.239%0.39320%0.197SC..  trans-117.6-23.8178.551.40000113.1Y465 T494 Y495T382-Y465 PolarHBondContact O-N 3Å; T382-T494 PolarHBondContact N-O 3.31Å; T382-T494 PolarHBondContact OG1-O 3.08Å; T382-Y495 WeakPolarHBondContact CB-OXT 3.09Å; T382-Y495 WeakPolarHBondContact CG2-OXT 3.45Å; T382-Y495 PolarHBondContact OG1-OXT 3.17Å
383S88.6Confident92Very high13 Ų1336.7 Ų36.79%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-152.5160.5177.992.20000112.2H463 Y465 Y493 T494S383-H463 CarbonylContact C-O 3.6Å; S383-H463 VanDerWaalsContact CA-O 3.27Å; S383-H463 WeakPolarHBondContact CA-O 3.41Å; S383-H463 WeakPolarHBondContact CB-O 3.38Å; S383-Y465 WeakPolarHBondContact O-CE1 2.93Å; S383-Y493 CarbonylContact O-C 3.48Å; S383-Y493 WeakPolarHBondContact O-CA 3.4Å; S383-Y493 WeakPolarHBondContact O-CB 3.3Å; S383-T494 WeakPolarHBondContact CB-OG1 3.41Å; S383-T494 PolarHBondContact O-N 2.77Å; S383-T494 PolarHBondContact OG-OG1 2.96Å
384I90.1Very high92.1Very high1 Ų137.4 Ų37.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-107.5142.6169.1-159.5157.1000109.3V375 W386 S462 H463 Y465 Y471 F473 V491 C492V375-I384 HydrophobicContact CB-CD1 4.04Å; V375-I384 HydrophobicContact CG1-CD1 3.8Å; I384-W386 HydrophobicContact CG2-CE3 4.06Å; I384-W386 HydrophobicContact CG2-CZ3 3.86Å; I384-S462 CarbonylContact O-C 3.6Å; I384-S462 WeakPolarHBondContact O-CA 3.23Å; I384-H463 HydrophobicContact CG2-CB 4.06Å; I384-H463 PolarHBondContact N-O 3.37Å; I384-H463 PolarHBondContact O-N 3.34Å; I384-Y465 HydrophobicContact CB-CE1 3.97Å; I384-Y471 HydrophobicContact CB-CD2 4.38Å; I384-Y471 HydrophobicContact CB-CE2 4.15Å; I384-Y471 HydrophobicContact CD1-CD1 4.5Å; I384-Y471 HydrophobicContact CD1-CD2 3.63Å; I384-Y471 HydrophobicContact CD1-CE2 4.24Å; I384-Y471 HydrophobicContact CD1-CG 3.77Å; I384-Y471 HydrophobicContact CG2-CD1 4.04Å; I384-Y471 HydrophobicContact CG2-CD2 4.24Å; I384-Y471 HydrophobicContact CG2-CE1 3.7Å; I384-Y471 HydrophobicContact CG2-CE2 3.92Å; I384-Y471 HydrophobicContact CG2-CG 4.28Å; I384-F473 HydrophobicContact CD1-CE2 3.62Å; I384-F473 HydrophobicContact CD1-CZ 3.49Å; I384-F473 VanDerWaalsContact CD1-CZ 3.49Å; I384-F473 HydrophobicContact CG1-CZ 3.94Å; I384-V491 HydrophobicContact CD1-CG1 3.61Å; I384-V491 HydrophobicContact CG1-CG1 3.6Å; I384-C492 CarbonylContact C-O 3.53Å; I384-C492 WeakPolarHBondContact CA-O 3.38Å
385V92.1Very high92.1Very high11 Ų1134.3 Ų34.37%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-130.5137.5176.5-174.80000108.1Y209 W343 G461 V491 C492 T494Y209-V385 HydrophobicContact CE2-CG1 4.16Å; Y209-V385 WeakPolarHBondContact OH-CG1 3.25Å; W343-V385 HydrophobicContact CH2-CG1 4.26Å; W343-V385 HydrophobicContact CZ2-CG1 4.49Å; V385-G461 CarbonylContact C-O 3.55Å; V385-G461 WeakPolarHBondContact CA-O 3.38Å; V385-G461 WeakPolarHBondContact CG1-O 3.19Å; V385-V491 WeakPolarHBondContact O-CA 2.89Å; V385-C492 PolarHBondContact N-O 3.12Å; V385-C492 PolarHBondContact O-N 3.09Å; V385-C492 VanDerWaalsContact O-O 3.1Å; V385-T494 HydrophobicContact CG2-CG2 3.81Å
386W94.9Very high92.3Very high6 Ų634.2 Ų34.22%0.02319%0.193CC..EExtended strand (participates in β ladder)trans-136.7155.417963.690.6000111.4P340 L342 I384 F397 L399 I447 C460 G461 H463 F473 R490 V491P340-W386 HydrophobicContact CB-CH2 4.2Å; L342-W386 HydrophobicContact CD2-CH2 4.44Å; L342-W386 HydrophobicContact CD2-CZ2 3.65Å; I384-W386 HydrophobicContact CG2-CE3 4.06Å; I384-W386 HydrophobicContact CG2-CZ3 3.86Å; W386-F397 AromaticContact CD1-CZ 3.89Å; W386-F397 AromaticContact CE2-CZ 3.96Å; W386-F397 HydrophobicContact CZ2-CE1 4.33Å; W386-F397 HydrophobicContact CZ2-CZ 4.48Å; W386-F397 AromaticContact NE1-CE1 3.59Å; W386-F397 AromaticContact NE1-CZ 3.49Å; W386-L399 HydrophobicContact CE3-CD2 4.45Å; W386-L399 HydrophobicContact CH2-CD2 3.52Å; W386-L399 HydrophobicContact CZ2-CD2 4.09Å; W386-L399 HydrophobicContact CZ3-CD2 3.73Å; W386-I447 HydrophobicContact CH2-CD1 4.08Å; W386-I447 HydrophobicContact CZ2-CD1 3.59Å; W386-C460 CarbonylContact O-C 3.59Å; W386-C460 VanDerWaalsContact O-CA 3.29Å; W386-C460 WeakPolarHBondContact O-CA 3.35Å; W386-G461 VanDerWaalsContact CE2-CA 3.46Å; W386-G461 PolarHBondContact N-O 2.91Å; W386-G461 PolarHBondContact O-N 2.81Å; W386-H463 HydrophobicContact CH2-CB 4.16Å; W386-H463 HydrophobicContact CZ3-CB 3.93Å; W386-F473 HydrophobicContact CB-CD1 4.43Å; W386-F473 HydrophobicContact CB-CE1 3.7Å; W386-F473 HydrophobicContact CB-CZ 4.39Å; W386-F473 AromaticContact CD2-CE1 3.68Å; W386-F473 HydrophobicContact CD2-CE1 3.68Å; W386-F473 AromaticContact CE3-CE1 3.75Å; W386-F473 HydrophobicContact CE3-CE1 3.75Å; W386-F473 HydrophobicContact CE3-CZ 4.2Å; W386-F473 HydrophobicContact CG-CD1 4.34Å; W386-F473 AromaticContact CG-CE1 3.68Å; W386-F473 HydrophobicContact CG-CE1 3.68Å; W386-R490 VanDerWaalsContact CA-O 3.25Å; W386-R490 WeakPolarHBondContact CA-O 3.35Å; W386-V491 HydrophobicContact CB-CG2 4.14Å
387E95.8Very high92.5Very high5 Ų527.3 Ų27.32%0.02316%0.161CC..EExtended strand (participates in β ladder)trans-145.2144.1167.855.4178.7-168.600109.8Q213 R345 F351 V458 C459 C460 Y489 R490Q213-E387 PolarHBondContact NE2-OE1 2.64Å; R345-E387 IonicContact NH1-OE2 2.86Å; R345-E387 PolarHBondContact NH1-OE2 3.29Å; F351-E387 HydrophobicContact CE2-CB 4.37Å; F351-E387 VanDerWaalsContact CE2-CD 3.44Å; F351-E387 HydrophobicContact CE2-CG 3.68Å; F351-E387 VanDerWaalsContact CE2-OE1 3.29Å; F351-E387 WeakPolarHBondContact CE2-OE1 3.15Å; F351-E387 HydrophobicContact CZ-CG 4.08Å; E387-V458 HydrophobicContact CB-CG1 3.95Å; E387-C459 CarbonylContact C-O 3.5Å; E387-C459 VanDerWaalsContact CA-O 3.22Å; E387-C459 WeakPolarHBondContact CA-O 3.44Å; E387-C460 HydrophobicContact CB-CB 4.49Å; E387-Y489 CarbonylContact O-C 3.54Å; E387-Y489 VanDerWaalsContact O-CA 3.28Å; E387-Y489 WeakPolarHBondContact O-CA 3.14Å; E387-R490 HydrophobicContact CG-CB 4.01Å; E387-R490 PolarHBondContact N-O 3.29Å; E387-R490 PolarHBondContact O-N 3.32Å; E387-R490 IonicContact OE1-CZ 3.33Å; E387-R490 IonicContact OE1-NE 3.34Å; E387-R490 PolarHBondContact OE1-NE 2.64Å; E387-R490 IonicContact OE1-NH2 2.67Å; E387-R490 PolarHBondContact OE1-NH2 2.96Å
388F97.7Very high92.8Very high3 Ų326.2 Ų26.21%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-153.8157176.670.3-87.9000113.1I395 F397 Q452 C459 F475 L487 Y488F388-I395 HydrophobicContact CD2-CG2 4.47Å; F388-I395 HydrophobicContact CE2-CG2 3.92Å; F388-F397 HydrophobicContact CD1-CD2 4.46Å; F388-F397 HydrophobicContact CD1-CE2 4.46Å; F388-F397 HydrophobicContact CE1-CB 4.3Å; F388-F397 AromaticContact CE1-CD1 3.93Å; F388-F397 HydrophobicContact CE1-CD1 3.93Å; F388-F397 AromaticContact CE1-CD2 3.72Å; F388-F397 HydrophobicContact CE1-CD2 3.72Å; F388-F397 HydrophobicContact CE1-CE1 4.16Å; F388-F397 AromaticContact CE1-CE2 3.96Å; F388-F397 HydrophobicContact CE1-CE2 3.96Å; F388-F397 AromaticContact CE1-CG 3.7Å; F388-F397 HydrophobicContact CE1-CG 3.7Å; F388-F397 HydrophobicContact CE1-CZ 4.17Å; F388-F397 HydrophobicContact CE2-CB 4.44Å; F388-F397 HydrophobicContact CZ-CB 3.67Å; F388-F397 HydrophobicContact CZ-CD1 4.09Å; F388-F397 AromaticContact CZ-CD2 3.88Å; F388-F397 HydrophobicContact CZ-CD2 3.88Å; F388-F397 AromaticContact CZ-CG 3.6Å; F388-F397 HydrophobicContact CZ-CG 3.6Å; F388-Q452 HydrophobicContact CE2-CB 4.44Å; F388-Q452 HydrophobicContact CZ-CB 4.25Å; F388-Q452 HydrophobicContact CZ-CG 4.22Å; F388-C459 HydrophobicContact CD1-CB 3.99Å; F388-C459 HydrophobicContact CD2-CB 4.29Å; F388-C459 HydrophobicContact CE1-CB 3.54Å; F388-C459 HydrophobicContact CE2-CB 3.86Å; F388-C459 HydrophobicContact CG-CB 4.35Å; F388-C459 HydrophobicContact CZ-CB 3.46Å; F388-C459 VanDerWaalsContact CZ-CB 3.46Å; F388-C459 PolarHBondContact N-O 3Å; F388-C459 PolarHBondContact O-N 3.37Å; F388-F475 HydrophobicContact CB-CE1 4.06Å; F388-F475 HydrophobicContact CB-CZ 4.33Å; F388-F475 AromaticContact CD1-CE1 3.85Å; F388-F475 HydrophobicContact CD1-CE1 3.85Å; F388-F475 HydrophobicContact CD1-CZ 4.32Å; F388-F475 HydrophobicContact CD2-CD1 4.39Å; F388-F475 AromaticContact CD2-CE1 3.74Å; F388-F475 HydrophobicContact CD2-CE1 3.74Å; F388-F475 HydrophobicContact CE1-CE1 4.18Å; F388-F475 HydrophobicContact CE2-CE1 4.09Å; F388-F475 AromaticContact CG-CE1 3.61Å; F388-F475 HydrophobicContact CG-CE1 3.61Å; F388-F475 HydrophobicContact CG-CZ 4.24Å; F388-F475 HydrophobicContact CZ-CE1 4.3Å; F388-L487 HydrophobicContact CB-CD1 3.93Å; F388-L487 HydrophobicContact CD2-CD1 3.83Å; F388-L487 HydrophobicContact CG-CD1 4.24Å; F388-Y488 CarbonylContact C-O 3.59Å; F388-Y488 WeakPolarHBondContact CA-O 3.25Å; F388-Y488 WeakPolarHBondContact CB-O 3.43Å
389A97.8Very high93.3Very high0 Ų023.4 Ų23.40%014%0.141CC..EExtended strand (participates in β ladder)trans-146.7160.5173.900000109.7V348 F351 K352 S454 Y488V348-A389 HydrophobicContact CG2-CB 3.79Å; F351-A389 HydrophobicContact CD1-CB 3.61Å; F351-A389 HydrophobicContact CE1-CB 3.63Å; K352-A389 HydrophobicContact CG-CB 4.32Å; A389-S454 CarbonylContact C-O 3.51Å; A389-S454 VanDerWaalsContact CA-O 3.25Å; A389-S454 WeakPolarHBondContact CA-O 3.35Å; A389-S454 WeakPolarHBondContact CB-O 3.41Å; A389-Y488 PolarHBondContact N-O 3.31Å; A389-Y488 PolarHBondContact O-N 3.04Å
390T97.3Very high93.8Very high0 Ų018.3 Ų18.30%011%0.106CC..EExtended strand (participates in β ladder)trans-129.6153.9178.950.90000112.2K352 Y393 I395 S454 Q455 T486 L487K352-T390 WeakPolarHBondContact CE-O 3.46Å; K352-T390 VanDerWaalsContact NZ-C 3.33Å; K352-T390 PolarHBondContact NZ-O 3.08Å; T390-Y393 WeakPolarHBondContact CB-O 3.19Å; T390-Y393 PolarHBondContact OG1-O 3.14Å; T390-I395 HydrophobicContact CG2-CB 3.99Å; T390-I395 HydrophobicContact CG2-CD1 4.34Å; T390-I395 HydrophobicContact CG2-CG2 3.77Å; T390-S454 PolarHBondContact N-O 2.81Å; T390-S454 PolarHBondContact OG1-OG 2.93Å; T390-Q455 VanDerWaalsContact O-CA 3.27Å; T390-Q455 WeakPolarHBondContact O-CA 3.44Å; T390-Q455 PolarHBondContact OG1-N 3.28Å; T390-T486 CarbonylContact C-O 3.57Å; T390-T486 WeakPolarHBondContact CA-O 3.34Å; T390-L487 HydrophobicContact CG2-CB 4.39Å; T390-L487 HydrophobicContact CG2-CD1 3.82Å
391D94.4Very high94.5Very high25 Ų2515 Ų1513%0.1348%0.082CC..SBendtrans-73133.3168.7-72.5-25.3000112.2K352 Y393 T486 Y488K352-D391 WeakPolarHBondContact CD-OD1 3.43Å; K352-D391 WeakPolarHBondContact CE-OD1 3.32Å; K352-D391 IonicContact NZ-OD1 3.53Å; K352-D391 PolarHBondContact NZ-OD1 3.02Å; D391-Y393 PolarHBondContact O-N 2.98Å; D391-T486 PolarHBondContact N-O 2.93Å; D391-T486 WeakPolarHBondContact OD2-CB 3.38Å; D391-Y488 WeakPolarHBondContact OD1-CE2 3.48Å; D391-Y488 WeakPolarHBondContact OD2-CE2 3.45Å; D391-Y488 PolarHBondContact OD2-OH 2.86Å
392D89.2Confident95Very high87 Ų8716.2 Ų16.247%0.4659%0.085SC..SBendtrans59.5-21.4166-58-49.4000118.8
393Y93.1Very high95.4Very high40 Ų4014.6 Ų14.616%0.1577%0.071CC..SBendtrans-147147.8-169.2-56.9-72.7000112.3R123 T390 D391 Q455 R483R123-Y393 WeakPolarHBondContact CD-OH 3.14Å; R123-Y393 PolarHBondContact NH1-OH 3.41Å; T390-Y393 WeakPolarHBondContact CB-O 3.19Å; T390-Y393 PolarHBondContact OG1-O 3.14Å; D391-Y393 PolarHBondContact O-N 2.98Å; Y393-Q455 VanDerWaalsContact N-CB 3.32Å; Y393-R483 HydrophobicContact CD2-CB 4.41Å; Y393-R483 VanDerWaalsContact CE1-CD 3.46Å; Y393-R483 HydrophobicContact CE2-CB 4.36Å; Y393-R483 HydrophobicContact CE2-CG 4.14Å; Y393-R483 VanDerWaalsContact CZ-CD 3.41Å; Y393-R483 PolarHBondContact OH-NE 3.18Å
394D96.7Very high95.5Very high17 Ų1716.6 Ų16.69%0.0919%0.089CC..  trans-64.4156174.569.1-48.9000112.2R451 Q452 Q455 K485D394-R451 IonicContact OD1-CZ 3.39Å; D394-R451 IonicContact OD1-NH2 3.81Å; D394-R451 PolarHBondContact OD1-NH2 3.19Å; D394-R451 IonicContact OD2-CZ 3.03Å; D394-R451 IonicContact OD2-NE 3.74Å; D394-R451 PolarHBondContact OD2-NE 3.13Å; D394-R451 IonicContact OD2-NH2 2.68Å; D394-R451 PolarHBondContact OD2-NH2 2.88Å; D394-Q452 VanDerWaalsContact CA-O 3.26Å; D394-Q452 WeakPolarHBondContact CA-O 3.31Å; D394-Q452 WeakPolarHBondContact CB-O 3.41Å; D394-Q455 VanDerWaalsContact N-CD 3.33Å; D394-Q455 VanDerWaalsContact N-OE1 3.08Å; D394-K485 VanDerWaalsContact O-CD 3.29Å; D394-K485 WeakPolarHBondContact O-CD 3.34Å; D394-K485 WeakPolarHBondContact O-CE 3.49Å; D394-K485 PolarHBondContact O-NZ 2.93Å
395I97.9Very high95.1Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-131.5150.2176.4-161167000110.1I365 F388 T390 Q452 S454 F475 D476 K485I365-I395 HydrophobicContact CD1-CD1 3.51Å; F388-I395 HydrophobicContact CD2-CG2 4.47Å; F388-I395 HydrophobicContact CE2-CG2 3.92Å; T390-I395 HydrophobicContact CG2-CB 3.99Å; T390-I395 HydrophobicContact CG2-CD1 4.34Å; T390-I395 HydrophobicContact CG2-CG2 3.77Å; I395-Q452 PolarHBondContact N-O 3.4Å; I395-Q452 PolarHBondContact O-N 3.22Å; I395-S454 WeakPolarHBondContact CG2-OG 3.3Å; I395-F475 HydrophobicContact CD1-CB 3.9Å; I395-F475 HydrophobicContact CG2-CD1 4.44Å; I395-D476 VanDerWaalsContact CG1-O 3.25Å; I395-D476 WeakPolarHBondContact CG1-O 3.31Å; I395-K485 HydrophobicContact CB-CD 3.82Å; I395-K485 HydrophobicContact CD1-CD 4Å; I395-K485 HydrophobicContact CG1-CD 3.85Å
396G98.1Very high93.7Very high1 Ų127.6 Ų27.61%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-69.9138.2168.900000109.9S450 F475 D476G396-S450 CarbonylContact C-O 3.34Å; G396-S450 WeakPolarHBondContact CA-O 3.18Å; G396-F475 CarbonylContact O-C 3.59Å; G396-F475 WeakPolarHBondContact O-CA 3.5Å; G396-D476 PolarHBondContact N-O 3Å; G396-D476 PolarHBondContact O-N 3.28Å
397F98.6Very high91.6Very high7 Ų735.5 Ų35.53%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-133.1134175.5177.4-109.4000110.1W386 F388 I447 V449 S450 Q452 F473 K474 F475W386-F397 AromaticContact CD1-CZ 3.89Å; W386-F397 AromaticContact CE2-CZ 3.96Å; W386-F397 HydrophobicContact CZ2-CE1 4.33Å; W386-F397 HydrophobicContact CZ2-CZ 4.48Å; W386-F397 AromaticContact NE1-CE1 3.59Å; W386-F397 AromaticContact NE1-CZ 3.49Å; F388-F397 HydrophobicContact CD1-CD2 4.46Å; F388-F397 HydrophobicContact CD1-CE2 4.46Å; F388-F397 HydrophobicContact CE1-CB 4.3Å; F388-F397 AromaticContact CE1-CD1 3.93Å; F388-F397 HydrophobicContact CE1-CD1 3.93Å; F388-F397 AromaticContact CE1-CD2 3.72Å; F388-F397 HydrophobicContact CE1-CD2 3.72Å; F388-F397 HydrophobicContact CE1-CE1 4.16Å; F388-F397 AromaticContact CE1-CE2 3.96Å; F388-F397 HydrophobicContact CE1-CE2 3.96Å; F388-F397 AromaticContact CE1-CG 3.7Å; F388-F397 HydrophobicContact CE1-CG 3.7Å; F388-F397 HydrophobicContact CE1-CZ 4.17Å; F388-F397 HydrophobicContact CE2-CB 4.44Å; F388-F397 HydrophobicContact CZ-CB 3.67Å; F388-F397 HydrophobicContact CZ-CD1 4.09Å; F388-F397 AromaticContact CZ-CD2 3.88Å; F388-F397 HydrophobicContact CZ-CD2 3.88Å; F388-F397 AromaticContact CZ-CG 3.6Å; F388-F397 HydrophobicContact CZ-CG 3.6Å; F397-I447 HydrophobicContact CE1-CD1 3.8Å; F397-V449 WeakPolarHBondContact O-CA 3.44Å; F397-S450 PolarHBondContact N-O 3.42Å; F397-S450 PolarHBondContact O-N 3.44Å; F397-Q452 HydrophobicContact CB-CG 3.7Å; F397-F473 HydrophobicContact CE2-CB 4.34Å; F397-F473 AromaticContact CE2-CD1 3.9Å; F397-F473 HydrophobicContact CE2-CD1 3.9Å; F397-F473 AromaticContact CZ-CD1 3.91Å; F397-F473 HydrophobicContact CZ-CD1 3.91Å; F397-K474 VanDerWaalsContact CA-O 3.3Å; F397-K474 WeakPolarHBondContact CA-O 3.33Å; F397-F475 AromaticContact CD2-CD1 3.99Å; F397-F475 HydrophobicContact CD2-CD1 3.99Å; F397-F475 AromaticContact CD2-CE1 3.66Å; F397-F475 HydrophobicContact CD2-CE1 3.66Å; F397-F475 HydrophobicContact CD2-CZ 4.18Å; F397-F475 HydrophobicContact CE2-CE1 4Å; F397-F475 HydrophobicContact CE2-CZ 4.07Å
398G98.2Very high89.2Confident0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-143160.5170.100000111.3I447 K474G398-I447 CarbonylContact C-O 3.59Å; G398-I447 VanDerWaalsContact CA-O 3.24Å; G398-I447 WeakPolarHBondContact CA-O 3.4Å; G398-K474 PolarHBondContact N-O 2.77Å; G398-K474 PolarHBondContact O-N 2.96Å
399L98.4Very high86.7Confident0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-135.2127.8-178-17563.5000109.4W386 I446 I447 Y471 F473W386-L399 HydrophobicContact CE3-CD2 4.45Å; W386-L399 HydrophobicContact CH2-CD2 3.52Å; W386-L399 HydrophobicContact CZ2-CD2 4.09Å; W386-L399 HydrophobicContact CZ3-CD2 3.73Å; L399-I446 HydrophobicContact CB-CB 4.34Å; L399-I446 HydrophobicContact CD2-CB 4.28Å; L399-I446 HydrophobicContact CD2-CD1 4.31Å; L399-I446 HydrophobicContact CD2-CG2 4.05Å; L399-I446 HydrophobicContact CG-CB 4.22Å; L399-I446 HydrophobicContact CG-CD1 4.29Å; L399-I446 WeakPolarHBondContact O-CA 3.25Å; L399-I446 WeakPolarHBondContact O-CB 3.38Å; L399-I446 PolarHBondContact O-N 2.95Å; L399-I447 HydrophobicContact CB-CB 3.88Å; L399-I447 HydrophobicContact CB-CD1 3.81Å; L399-I447 HydrophobicContact CB-CG1 3.94Å; L399-I447 HydrophobicContact CD2-CD1 4.06Å; L399-I447 PolarHBondContact N-O 3.21Å; L399-I447 PolarHBondContact O-N 3.21Å; L399-Y471 HydrophobicContact CD1-CD1 3.88Å; L399-Y471 HydrophobicContact CD2-CD1 4.24Å; L399-Y471 HydrophobicContact CD2-CE1 4.38Å; L399-Y471 HydrophobicContact CG-CD1 4.18Å; L399-F473 HydrophobicContact CD1-CD1 3.65Å; L399-F473 HydrophobicContact CD1-CD2 4.12Å; L399-F473 HydrophobicContact CD1-CE1 3.63Å; L399-F473 HydrophobicContact CD1-CE2 4.1Å; L399-F473 HydrophobicContact CD1-CG 3.88Å; L399-F473 HydrophobicContact CD1-CZ 3.86Å
400F97.8Very high84.2Confident23 Ų2351.7 Ų51.710%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-127.2157.1180-55-97.4000109.5V443 D444 E445 V449 Y471 V472 K474F400-V443 HydrophobicContact CB-CG1 4.11Å; F400-D444 CarbonylContact C-O 3.53Å; F400-D444 VanDerWaalsContact CA-O 3.24Å; F400-D444 WeakPolarHBondContact CA-O 3.22Å; F400-E445 HydrophobicContact CD1-CB 3.95Å; F400-E445 HydrophobicContact CD1-CG 4.08Å; F400-E445 HydrophobicContact CE1-CB 3.89Å; F400-E445 HydrophobicContact CE1-CG 3.64Å; F400-E445 WeakPolarHBondContact CE1-OE2 3.27Å; F400-E445 HydrophobicContact CZ-CG 4.28Å; F400-V449 HydrophobicContact CE2-CG2 4.07Å; F400-V449 HydrophobicContact CZ-CG2 4.06Å; F400-Y471 CarbonylContact O-C 3.6Å; F400-Y471 WeakPolarHBondContact O-CA 3.44Å; F400-V472 HydrophobicContact CB-CB 4.31Å; F400-V472 PolarHBondContact N-O 3.3Å; F400-V472 PolarHBondContact O-N 2.97Å; F400-K474 HydrophobicContact CD2-CD 3.89Å; F400-K474 HydrophobicContact CD2-CG 4Å; F400-K474 HydrophobicContact CE2-CB 4.35Å; F400-K474 HydrophobicContact CE2-CD 3.55Å; F400-K474 HydrophobicContact CE2-CG 3.93Å; F400-K474 HydrophobicContact CZ-CD 4.4Å
401F97.3Very high81.8Confident0 Ų059.5 Ų59.50%033%0.329CS..EExtended strand (participates in β ladder)trans-126116.9175.1-170.7-98.2000110T377 W403 V443 D444 I446 P466 G467 G469 Y471T377-F401 HydrophobicContact CG2-CE2 3.7Å; T377-F401 HydrophobicContact CG2-CZ 4.1Å; F401-W403 HydrophobicContact CD1-CD2 4.03Å; F401-W403 AromaticContact CD1-CE2 3.96Å; F401-W403 HydrophobicContact CD1-CG 4.22Å; F401-W403 HydrophobicContact CD1-CZ2 4.41Å; F401-W403 AromaticContact CE1-CD2 3.77Å; F401-W403 HydrophobicContact CE1-CD2 3.77Å; F401-W403 AromaticContact CE1-CE3 3.82Å; F401-W403 HydrophobicContact CE1-CE3 3.82Å; F401-W403 HydrophobicContact CE1-CG 4.18Å; F401-W403 HydrophobicContact CE1-CH2 4.48Å; F401-W403 HydrophobicContact CE1-CZ2 4.42Å; F401-W403 HydrophobicContact CE1-CZ3 4.17Å; F401-V443 CarbonylContact O-C 3.52Å; F401-V443 VanDerWaalsContact O-CA 3.3Å; F401-V443 WeakPolarHBondContact O-CA 3.06Å; F401-D444 PolarHBondContact N-O 2.96Å; F401-D444 PolarHBondContact O-N 3.32Å; F401-I446 HydrophobicContact CB-CD1 3.78Å; F401-I446 HydrophobicContact CB-CG1 4.39Å; F401-P466 HydrophobicContact CD1-CG 3.64Å; F401-P466 HydrophobicContact CD2-CG 3.96Å; F401-P466 HydrophobicContact CE1-CG 3.59Å; F401-P466 HydrophobicContact CE2-CG 3.91Å; F401-P466 HydrophobicContact CG-CG 3.82Å; F401-P466 HydrophobicContact CZ-CG 3.72Å; F401-G467 WeakPolarHBondContact CZ-O 3.34Å; F401-G469 VanDerWaalsContact CZ-CA 3.49Å; F401-Y471 HydrophobicContact CD2-CD1 4.02Å; F401-Y471 AromaticContact CD2-CD2 3.97Å; F401-Y471 HydrophobicContact CD2-CD2 3.97Å; F401-Y471 AromaticContact CD2-CE1 3.94Å; F401-Y471 HydrophobicContact CD2-CE1 3.94Å; F401-Y471 AromaticContact CD2-CE2 3.87Å; F401-Y471 HydrophobicContact CD2-CE2 3.87Å; F401-Y471 HydrophobicContact CD2-CG 4.05Å; F401-Y471 AromaticContact CD2-CZ 3.84Å; F401-Y471 AromaticContact CE2-CD2 3.99Å; F401-Y471 HydrophobicContact CE2-CD2 3.99Å; F401-Y471 AromaticContact CE2-CE2 3.74Å; F401-Y471 HydrophobicContact CE2-CE2 3.74Å
402E95.5Very high79.3Confident37 Ų3762.2 Ų62.217%0.17335%0.354CS..EExtended strand (participates in β ladder)trans-91.4116.2172.7-64179.6-176.700108.5R374 I441 V443 G469 T470 V472R374-E402 IonicContact CZ-OE1 3.65Å; R374-E402 IonicContact CZ-OE2 2.73Å; R374-E402 VanDerWaalsContact CZ-OE2 3.28Å; R374-E402 IonicContact NH1-OE1 3.69Å; R374-E402 PolarHBondContact NH1-OE1 3.13Å; R374-E402 IonicContact NH1-OE2 2.64Å; R374-E402 PolarHBondContact NH1-OE2 3.29Å; R374-E402 IonicContact NH2-OE1 2.78Å; R374-E402 IonicContact NH2-OE2 3.22Å; R374-E402 PolarHBondContact NH2-OE2 3.2Å; E402-I441 HydrophobicContact CB-CG2 3.92Å; E402-I441 HydrophobicContact CG-CG2 4.41Å; E402-V443 HydrophobicContact CG-CG1 4.29Å; E402-V443 HydrophobicContact CG-CG2 3.93Å; E402-G469 CarbonylContact O-C 3.46Å; E402-G469 WeakPolarHBondContact O-CA 3.31Å; E402-T470 PolarHBondContact N-O 3Å; E402-T470 PolarHBondContact O-N 3.49Å; E402-V472 HydrophobicContact CG-CG2 3.93Å; E402-V472 WeakPolarHBondContact OE1-CG2 3.35Å
403W94.5Very high76.9Confident30 Ų3067.7 Ų67.711%0.11437%0.374CS..EExtended strand (participates in β ladder)trans-66.7139.4176.8-68.187.2000110.2L335 V337 F401 E405 L442 D444 P466L335-W403 HydrophobicContact CB-CH2 4.14Å; L335-W403 HydrophobicContact CD2-CE3 4.2Å; L335-W403 HydrophobicContact CD2-CH2 3.52Å; L335-W403 HydrophobicContact CD2-CZ2 4.46Å; L335-W403 HydrophobicContact CD2-CZ3 3.37Å; L335-W403 HydrophobicContact CG-CH2 4.42Å; V337-W403 HydrophobicContact CG2-CZ2 3.99Å; F401-W403 HydrophobicContact CD1-CD2 4.03Å; F401-W403 AromaticContact CD1-CE2 3.96Å; F401-W403 HydrophobicContact CD1-CG 4.22Å; F401-W403 HydrophobicContact CD1-CZ2 4.41Å; F401-W403 AromaticContact CE1-CD2 3.77Å; F401-W403 HydrophobicContact CE1-CD2 3.77Å; F401-W403 AromaticContact CE1-CE3 3.82Å; F401-W403 HydrophobicContact CE1-CE3 3.82Å; F401-W403 HydrophobicContact CE1-CG 4.18Å; F401-W403 HydrophobicContact CE1-CH2 4.48Å; F401-W403 HydrophobicContact CE1-CZ2 4.42Å; F401-W403 HydrophobicContact CE1-CZ3 4.17Å; W403-E405 PolarHBondContact O-N 3.02Å; W403-L442 HydrophobicContact CB-CB 4.17Å; W403-L442 VanDerWaalsContact CD1-CD2 3.47Å; W403-L442 VanDerWaalsContact CD1-CG 3.45Å; W403-L442 HydrophobicContact CD2-CD2 4.5Å; W403-L442 HydrophobicContact CG-CB 4.23Å; W403-L442 HydrophobicContact CG-CD2 3.94Å; W403-L442 HydrophobicContact CG-CG 4.2Å; W403-L442 PolarHBondContact N-O 3.16Å; W403-D444 PolarHBondContact NE1-OD2 3.19Å; W403-P466 HydrophobicContact CH2-CB 3.81Å; W403-P466 HydrophobicContact CH2-CG 4.32Å; W403-P466 WeakPolarHBondContact CH2-O 3.41Å; W403-P466 HydrophobicContact CZ2-CB 4.09Å; W403-P466 HydrophobicContact CZ2-CG 4.45Å
404A90.8Very high74.1Confident55 Ų5573.4 Ų73.446%0.45540%0.402SS..PPolyproline II helixtrans-58.9137.8165.700000108.1A468A404-A468 PolarHBondContact N-O 3.47Å; A404-A468 VanDerWaalsContact N-O 3.16Å
405E80.3Confident70.9Confident133 Ų13379.1 Ų79.162%0.62143%0.433SS*.PPolyproline II helixtrans-48.3131.3175.3-76.4-175.3166.600108.7W403 L407W403-E405 PolarHBondContact O-N 3.02Å; E405-L407 PolarHBondContact O-N 3.14Å
406P62.7Low67.8Low110 Ų11087.1 Ų87.171%0.71448%0.475SS*.PPolyproline II helixtrans-52.7122.5167.9-17.228.3000105.3S408P406-S408 VanDerWaalsContact C-N 3.26Å; P406-S408 PolarHBondContact O-N 3.18Å
407L51.6Low64.5Low173 Ų17395.2 Ų95.291%0.90651%0.513SS*.  trans-45.9103.7171.2-72.6166.4000105.4E405 D409E405-L407 PolarHBondContact O-N 3.14Å; L407-D409 PolarHBondContact O-N 3.45Å
408S45Very low61.1Low100 Ų100101.7 Ų101.770%0.69955%0.552SS**  trans-61.5115.7-175.2-70.80000104.9P406 P410P406-S408 VanDerWaalsContact C-N 3.26Å; P406-S408 PolarHBondContact O-N 3.18Å; S408-P410 WeakPolarHBondContact O-CD 3.36Å; S408-P410 VanDerWaalsContact O-N 3.08Å
409D45.2Very low57.8Low129 Ų129105.3 Ų105.369%0.6958%0.582SS**  trans-45.2122.5169.4-101.8-37.2000106.8L407 E411 A412L407-D409 PolarHBondContact O-N 3.45Å; D409-E411 PolarHBondContact O-N 3.49Å; D409-A412 PolarHBondContact O-N 3.48Å; D409-A412 VanDerWaalsContact O-N 3.12Å
410P46.6Very low54.1Low119 Ų119111 Ų11177%0.77362%0.622SS**G310 helixtrans-55.8-14.2-177.4-24.832.2000113.3S408S408-P410 WeakPolarHBondContact O-CD 3.36Å; S408-P410 VanDerWaalsContact O-N 3.08Å
411E46.5Very low50.9Low164 Ų164115.7 Ų115.777%0.76665%0.652SS**G310 helixtrans-85.8-10.6-177.3-60-165.1158.300114.9D409 K413 Q414D409-E411 PolarHBondContact O-N 3.49Å; E411-K413 VanDerWaalsContact C-N 3.3Å; E411-K413 PolarHBondContact O-N 3.12Å; E411-Q414 PolarHBondContact O-N 2.98Å
412A41.7Very low47.7Very low81 Ų81123 Ų12367%0.66969%0.691SS**G310 helixtrans-78.1-9.6178.300000114.3D409 Q414D409-A412 PolarHBondContact O-N 3.48Å; D409-A412 VanDerWaalsContact O-N 3.12Å; A412-Q414 VanDerWaalsContact C-N 3.32Å
413K37.8Very low44.8Very low202 Ų202126 Ų12688%0.87872%0.722SS**G310 helixtrans-82.6-0.2172-80.1-174.1178.1176.50114.5E411E411-K413 VanDerWaalsContact C-N 3.3Å; E411-K413 PolarHBondContact O-N 3.12Å
414Q35.9Very low41.6Very low161 Ų161133.1 Ų133.175%0.75276%0.757SS**G310 helixtrans-95.4-3.4-177.3-156.982.813.400114.9E411 A412E411-Q414 PolarHBondContact O-N 2.98Å; A412-Q414 VanDerWaalsContact C-N 3.32Å
415N28Very low38.8Very low137 Ų137138.3 Ų138.373%0.73378%0.777SS**  trans-114.922-171.1-76.6-9.7000116.7H417N415-H417 PolarHBondContact O-N 3.41Å
416N33.5Very low36.4Very low167 Ų167135.3 Ų135.389%0.89378%0.782SS**  trans-88.853.3161-72.1-7000110.9
417H28.4Very low34.8Very low172 Ų172139.4 Ų139.480%0.79679%0.791SS**  trans-124.3108.5157.4-102.5-72.9000105.9N415N415-H417 PolarHBondContact O-N 3.41Å
418V27.7Very low34Very low142 Ų142137 Ų13786%0.86179%0.789SS**  174136.8128.9155.90000110.3
419A28.5Very low33.3Very low76 Ų76141.1 Ų141.163%0.62880%0.797SS**  trans81.881.1156.600000118.3V421A419-V421 PolarHBondContact O-N 2.94Å
420S21.4Very low32.6Very low120 Ų120141.7 Ų141.784%0.83981%0.805SS**  -40.7124128.9-59.50000111.4
421V30.8Very low31.9Very low122 Ų122142.2 Ų142.274%0.73981%0.806SS**  trans-145.299.3152.2-104.70000108.3A419A419-V421 PolarHBondContact O-N 2.94Å
422N28.5Very low31.1Very low152 Ų152142.8 Ų142.881%0.81381%0.806SS**  trans33116.1138.2-50.7-25000118.5
423A34.7Very low30.9Very low100 Ų100143.4 Ų143.483%0.82681%0.811SS**  176.7143.5100.300000110.1
424E28.2Very low30.8Very low181 Ų181141.8 Ų141.885%0.84681%0.807SS**  trans-59.2133.7178.6-51.3-176.115000111.9
425D32.7Very low30.8Very low163 Ų163141 Ų14187%0.87281%0.808SS**  164.3134.4125.3-92.3-34.2000112.3
426G29.7Very low31.5Very low71 Ų71139.1 Ų139.173%0.73281%0.805SS**  trans92.397.6142.700000117.9S428G426-S428 PolarHBondContact O-N 3.36Å
427H28.7Very low32.2Very low196 Ų196139.6 Ų139.691%0.90780%0.802SS**  trans-27.6122.4158.1-80.8-85.6000114.8
428S34.7Very low33.3Very low122 Ų122140.6 Ų140.685%0.85380%0.804SS**  trans-144.4118.4151.4-76.70000109.5G426G426-S428 PolarHBondContact O-N 3.36Å
429E29.4Very low34.6Very low186 Ų186138 Ų13887%0.86979%0.793SS**  trans-17126.5171-105.7162.9149.600117.1T431E429-T431 PolarHBondContact O-N 2.88Å
430V32Very low36.8Very low142 Ų142141 Ų14186%0.86180%0.798SS**  trans-62.692.3166.9-179.40000108.6K432V430-K432 PolarHBondContact O-N 2.88Å
431T31.8Very low39.8Very low129 Ų129138.7 Ų138.779%0.79178%0.776SS**  trans-70.3113.3158.643.90000107.1E429 A433E429-T431 PolarHBondContact O-N 2.88Å; T431-A433 PolarHBondContact O-N 2.89Å
432K29.5Very low42.7Very low176 Ų176138 Ų13877%0.76577%0.767SS**  trans-47.4109.5171.5-86.7176.7169-1780109V430 E434V430-K432 PolarHBondContact O-N 2.88Å; K432-E434 VanDerWaalsContact C-N 3.34Å; K432-E434 PolarHBondContact O-N 3.33Å
433A37.4Very low45.8Very low95 Ų95134.1 Ų134.179%0.78575%0.748SS**  trans-7094.9164.700000107.3T431 N435T431-A433 PolarHBondContact O-N 2.89Å; A433-N435 PolarHBondContact O-N 2.81Å
434E35.8Very low48.7Very low168 Ų168131.9 Ų131.979%0.78572%0.723SS**  trans-72.8113.9168.8-68.8-179.7166.500108.1K432K432-E434 VanDerWaalsContact C-N 3.34Å; K432-E434 PolarHBondContact O-N 3.33Å
435N36.3Very low51.9Low144 Ų144128.8 Ų128.877%0.7771%0.708SS**  trans40.581.6164.9-73.12.3000118.1A433 E437A433-N435 PolarHBondContact O-N 2.81Å; N435-E437 PolarHBondContact O-N 2.88Å
436S42.9Very low55Low97 Ų97121.8 Ų121.868%0.67867%0.671SS**  trans-83.422.7164.667.70000114.2S439S436-S439 PolarHBondContact O-OG 3.39Å
437E47.8Very low58.2Low177 Ų177118.8 Ų118.883%0.82764%0.638SS**THydrogen-bonded Turntrans-81.7-8.7-174.2-72.3-173.7165.300114.7N435N435-E437 PolarHBondContact O-N 2.88Å
438K51.3Low61.5Low194 Ų194112.9 Ų112.984%0.84362%0.617SS**THydrogen-bonded Turntrans-95.62.1178.6-76.6-176.3179.1177.50115.5N440K438-N440 PolarHBondContact O-N 3.28Å
439S55.5Low64.4Low88 Ų88110 Ų11062%0.61559%0.594SS**THydrogen-bonded Turntrans-86.3-3.5-166.665.80000116.9S436S436-S439 PolarHBondContact O-OG 3.39Å
440N74.7Confident67.6Low139 Ų139103.6 Ų103.674%0.74357%0.57SS**THydrogen-bonded Turntrans-112.7-0.1-171.1-66.2-12.8000115.3K438 L442K438-N440 PolarHBondContact O-N 3.28Å; N440-L442 PolarHBondContact O-N 2.98Å
441I83.6Confident70.7Confident71 Ų71104.3 Ų104.336%0.36456%0.557SS.*  trans-76.3117.9177.5-59174.6000108.1E402 V443E402-I441 HydrophobicContact CB-CG2 3.92Å; E402-I441 HydrophobicContact CG-CG2 4.41Å; I441-V443 HydrophobicContact CG2-CG2 4.32Å; I441-V443 WeakPolarHBondContact O-CG2 3.27Å; I441-V443 PolarHBondContact O-N 2.88Å
442L91.4Very high73.8Confident108 Ų108100.9 Ų100.957%0.56553%0.532SS*.  trans-66129172.6179.467.7000108.6W403 N440W403-L442 HydrophobicContact CB-CB 4.17Å; W403-L442 VanDerWaalsContact CD1-CD2 3.47Å; W403-L442 VanDerWaalsContact CD1-CG 3.45Å; W403-L442 HydrophobicContact CD2-CD2 4.5Å; W403-L442 HydrophobicContact CG-CB 4.23Å; W403-L442 HydrophobicContact CG-CD2 3.94Å; W403-L442 HydrophobicContact CG-CG 4.2Å; W403-L442 PolarHBondContact N-O 3.16Å; N440-L442 PolarHBondContact O-N 2.98Å
443V94.1Very high76.8Confident69 Ų6997.1 Ų97.142%0.41852%0.52SS..EExtended strand (participates in β ladder)trans-128.3126.9-179.8-172.80000109.9F400 F401 E402 I441F400-V443 HydrophobicContact CB-CG1 4.11Å; F401-V443 CarbonylContact O-C 3.52Å; F401-V443 VanDerWaalsContact O-CA 3.3Å; F401-V443 WeakPolarHBondContact O-CA 3.06Å; E402-V443 HydrophobicContact CG-CG1 4.29Å; E402-V443 HydrophobicContact CG-CG2 3.93Å; I441-V443 HydrophobicContact CG2-CG2 4.32Å; I441-V443 WeakPolarHBondContact O-CG2 3.27Å; I441-V443 PolarHBondContact O-N 2.88Å
444D94.7Very high79.6Confident54 Ų5492.6 Ų92.629%0.28948%0.483SS..EExtended strand (participates in β ladder)trans-103.7138.8171.4-76.4-53000111.4V337 F400 F401 W403V337-D444 HydrophobicContact CG2-CB 4.13Å; V337-D444 WeakPolarHBondContact CG2-OD2 3.42Å; F400-D444 CarbonylContact C-O 3.53Å; F400-D444 VanDerWaalsContact CA-O 3.24Å; F400-D444 WeakPolarHBondContact CA-O 3.22Å; F401-D444 PolarHBondContact N-O 2.96Å; F401-D444 PolarHBondContact O-N 3.32Å; W403-D444 PolarHBondContact NE1-OD2 3.19Å
445E96.6Very high82.4Confident115 Ų11586.4 Ų86.454%0.53745%0.454SS..EExtended strand (participates in β ladder)trans-88.2113169.8-177.4177.68900109.4F400 P448F400-E445 HydrophobicContact CD1-CB 3.95Å; F400-E445 HydrophobicContact CD1-CG 4.08Å; F400-E445 HydrophobicContact CE1-CB 3.89Å; F400-E445 HydrophobicContact CE1-CG 3.64Å; F400-E445 WeakPolarHBondContact CE1-OE2 3.27Å; F400-E445 HydrophobicContact CZ-CG 4.28Å; E445-P448 WeakPolarHBondContact OE1-CB 3.29Å
446I96.4Very high85.1Confident16 Ų1684.4 Ų84.48%0.08244%0.443CS..EExtended strand (participates in β ladder)trans-89-43.3177.9-61.1172.9000110.1V337 P340 L399 F401 H463 Y471V337-I446 HydrophobicContact CG1-CG1 3.94Å; P340-I446 HydrophobicContact CB-CG2 4Å; P340-I446 HydrophobicContact CG-CG2 3.87Å; L399-I446 HydrophobicContact CB-CB 4.34Å; L399-I446 HydrophobicContact CD2-CB 4.28Å; L399-I446 HydrophobicContact CD2-CD1 4.31Å; L399-I446 HydrophobicContact CD2-CG2 4.05Å; L399-I446 HydrophobicContact CG-CB 4.22Å; L399-I446 HydrophobicContact CG-CD1 4.29Å; L399-I446 WeakPolarHBondContact O-CA 3.25Å; L399-I446 WeakPolarHBondContact O-CB 3.38Å; L399-I446 PolarHBondContact O-N 2.95Å; F401-I446 HydrophobicContact CB-CD1 3.78Å; F401-I446 HydrophobicContact CB-CG1 4.39Å; I446-H463 WeakPolarHBondContact CG2-CD2 3.42Å; I446-H463 WeakPolarHBondContact CG2-NE2 3.32Å; I446-Y471 HydrophobicContact CD1-CD1 4.09Å; I446-Y471 HydrophobicContact CD1-CE1 3.56Å
447I97.4Very high87.4Confident8 Ų883.8 Ų83.84%0.04143%0.429CS..EExtended strand (participates in β ladder)trans-131.2117.2177.1-58.7168.6000108.1P340 L342 W386 F397 G398 L399P340-I447 HydrophobicContact CB-CD1 4.13Å; P340-I447 HydrophobicContact CB-CG1 4.21Å; P340-I447 HydrophobicContact CG-CD1 4.01Å; P340-I447 HydrophobicContact CG-CG1 3.59Å; L342-I447 HydrophobicContact CD1-CD1 4.48Å; L342-I447 HydrophobicContact CD2-CD1 3.72Å; W386-I447 HydrophobicContact CH2-CD1 4.08Å; W386-I447 HydrophobicContact CZ2-CD1 3.59Å; F397-I447 HydrophobicContact CE1-CD1 3.8Å; G398-I447 CarbonylContact C-O 3.59Å; G398-I447 VanDerWaalsContact CA-O 3.24Å; G398-I447 WeakPolarHBondContact CA-O 3.4Å; L399-I447 HydrophobicContact CB-CB 3.88Å; L399-I447 HydrophobicContact CB-CD1 3.81Å; L399-I447 HydrophobicContact CB-CG1 3.94Å; L399-I447 HydrophobicContact CD2-CD1 4.06Å; L399-I447 PolarHBondContact N-O 3.21Å; L399-I447 PolarHBondContact O-N 3.21Å
448P97.2Very high89.6Confident73 Ų7375.3 Ų75.347%0.47439%0.39SS..EExtended strand (participates in β ladder)trans-62.9144.4173.125.9-33.4000110.6E445 S450E445-P448 WeakPolarHBondContact OE1-CB 3.29Å; P448-S450 PolarHBondContact O-N 2.99Å; P448-S450 PolarHBondContact O-OG 3.4Å
449V97.4Very high91.7Very high61 Ų6166.5 Ų66.537%0.3735%0.352SS..EExtended strand (participates in β ladder)trans-62.5115.2179.1-179.10000109.8F397 F400 D476F397-V449 WeakPolarHBondContact O-CA 3.44Å; F400-V449 HydrophobicContact CE2-CG2 4.07Å; F400-V449 HydrophobicContact CZ-CG2 4.06Å; V449-D476 HydrophobicContact CG1-CB 3.8Å
450S95.9Very high93.5Very high51 Ų5162.6 Ų62.636%0.35733%0.325SS..EExtended strand (participates in β ladder)trans-143.1152.8-179.957.20000111G396 F397 P448 Q452G396-S450 CarbonylContact C-O 3.34Å; G396-S450 WeakPolarHBondContact CA-O 3.18Å; F397-S450 PolarHBondContact N-O 3.42Å; F397-S450 PolarHBondContact O-N 3.44Å; P448-S450 PolarHBondContact O-N 2.99Å; P448-S450 PolarHBondContact O-OG 3.4Å; S450-Q452 PolarHBondContact O-N 2.98Å; S450-Q452 PolarHBondContact OG-NE2 3.16Å; S450-Q452 VanDerWaalsContact OG-NE2 3.14Å
451R97.3Very high94.2Very high158 Ų15856 Ų5660%0.59629%0.29SS*.EExtended strand (participates in β ladder)trans-71127.9-177.3-65.3178.567.7179.70.4110.7D394 F479D394-R451 IonicContact OD1-CZ 3.39Å; D394-R451 IonicContact OD1-NH2 3.81Å; D394-R451 PolarHBondContact OD1-NH2 3.19Å; D394-R451 IonicContact OD2-CZ 3.03Å; D394-R451 IonicContact OD2-NE 3.74Å; D394-R451 PolarHBondContact OD2-NE 3.13Å; D394-R451 IonicContact OD2-NH2 2.68Å; D394-R451 PolarHBondContact OD2-NH2 2.88Å; R451-F479 HydrophobicContact CG-CE1 4.22Å; R451-F479 HydrophobicContact CG-CZ 4.24Å
452Q95.5Very high94.6Very high56 Ų5653.9 Ų53.926%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-116.3132.4-178.5-60.5-58.8-33.200110.7F388 D394 I395 F397 S450 S454F388-Q452 HydrophobicContact CE2-CB 4.44Å; F388-Q452 HydrophobicContact CZ-CB 4.25Å; F388-Q452 HydrophobicContact CZ-CG 4.22Å; D394-Q452 VanDerWaalsContact CA-O 3.26Å; D394-Q452 WeakPolarHBondContact CA-O 3.31Å; D394-Q452 WeakPolarHBondContact CB-O 3.41Å; I395-Q452 PolarHBondContact N-O 3.4Å; I395-Q452 PolarHBondContact O-N 3.22Å; F397-Q452 HydrophobicContact CB-CG 3.7Å; S450-Q452 PolarHBondContact O-N 2.98Å; S450-Q452 PolarHBondContact OG-NE2 3.16Å; S450-Q452 VanDerWaalsContact OG-NE2 3.14Å; Q452-S454 PolarHBondContact O-N 3.27Å; Q452-S454 PolarHBondContact O-OG 2.88Å; Q452-S454 VanDerWaalsContact O-OG 3.1Å
453N94.1Very high94.7Very high97 Ų9748.9 Ų48.952%0.51926%0.255SS..  trans-72.943.7179.3-67.8-41.2000113.6Q455 N456 E457N453-Q455 PolarHBondContact O-N 2.88Å; N453-Q455 VanDerWaalsContact O-N 3.08Å; N453-Q455 PolarHBondContact O-OE1 2.79Å; N453-N456 PolarHBondContact O-N 3.45Å; N453-E457 PolarHBondContact O-N 3.37Å
454S95.7Very high94.5Very high0 Ų050.2 Ų50.20%026%0.259CS..THydrogen-bonded Turntrans-63.8-9.1-175.843.50000114.9A389 T390 I395 Q452 E457A389-S454 CarbonylContact C-O 3.51Å; A389-S454 VanDerWaalsContact CA-O 3.25Å; A389-S454 WeakPolarHBondContact CA-O 3.35Å; A389-S454 WeakPolarHBondContact CB-O 3.41Å; T390-S454 PolarHBondContact N-O 2.81Å; T390-S454 PolarHBondContact OG1-OG 2.93Å; I395-S454 WeakPolarHBondContact CG2-OG 3.3Å; Q452-S454 PolarHBondContact O-N 3.27Å; Q452-S454 PolarHBondContact O-OG 2.88Å; Q452-S454 VanDerWaalsContact O-OG 3.1Å; S454-E457 CarbonylContact C-O 3.56Å; S454-E457 WeakPolarHBondContact CA-O 3.22Å
455Q94.8Very high94.4Very high39 Ų3949.2 Ų49.218%0.18225%0.252CS..THydrogen-bonded Turntrans-81.9-24.117177.4-74.314.300113.9T390 Y393 D394 N453T390-Q455 VanDerWaalsContact O-CA 3.27Å; T390-Q455 WeakPolarHBondContact O-CA 3.44Å; T390-Q455 PolarHBondContact OG1-N 3.28Å; Y393-Q455 VanDerWaalsContact N-CB 3.32Å; D394-Q455 VanDerWaalsContact N-CD 3.33Å; D394-Q455 VanDerWaalsContact N-OE1 3.08Å; N453-Q455 PolarHBondContact O-N 2.88Å; N453-Q455 VanDerWaalsContact O-N 3.08Å; N453-Q455 PolarHBondContact O-OE1 2.79Å
456N91.8Very high94.1Very high101 Ų10144.2 Ų44.254%0.5423%0.23SC..THydrogen-bonded Turntrans-98.9-35-178.2-63.5-27.8000111.6N453N453-N456 PolarHBondContact O-N 3.45Å
457E92.3Very high93.9Very high84 Ų8444.8 Ų44.839%0.39324%0.239SC..SBendtrans-137.6153.7-174.7-58.6-178.2155.800109.9T344 R345 N453 S454 C459T344-E457 WeakPolarHBondContact CB-OE2 2.84Å; T344-E457 HydrophobicContact CG2-CB 4.45Å; T344-E457 WeakPolarHBondContact CG2-OE2 3.49Å; T344-E457 PolarHBondContact OG1-OE2 3.04Å; R345-E457 CarbonylContact O-C 3.58Å; R345-E457 WeakPolarHBondContact O-CA 3.34Å; R345-E457 WeakPolarHBondContact O-CB 3.3Å; N453-E457 PolarHBondContact O-N 3.37Å; S454-E457 CarbonylContact C-O 3.56Å; S454-E457 WeakPolarHBondContact CA-O 3.22Å; E457-C459 PolarHBondContact O-N 2.64Å
458V93.2Very high93.7Very high0 Ų047.7 Ų47.70%026%0.264CS..EExtended strand (participates in β ladder)trans-77.3115.1170.6-171.60000108.2T344 R345 V348 F351 E387 C460T344-V458 CarbonylContact C-O 3.54Å; T344-V458 WeakPolarHBondContact CA-O 3.48Å; R345-V458 HydrophobicContact CB-CB 4.15Å; R345-V458 PolarHBondContact N-O 3.3Å; R345-V458 PolarHBondContact O-N 3.03Å; V348-V458 HydrophobicContact CB-CG2 4.27Å; V348-V458 HydrophobicContact CG2-CG2 4.37Å; F351-V458 HydrophobicContact CB-CG2 3.64Å; F351-V458 HydrophobicContact CD1-CG1 3.99Å; F351-V458 HydrophobicContact CD1-CG2 3.87Å; F351-V458 HydrophobicContact CD2-CG1 4.12Å; F351-V458 HydrophobicContact CD2-CG2 4.48Å; F351-V458 HydrophobicContact CE1-CG1 4.05Å; F351-V458 HydrophobicContact CE2-CG1 4.2Å; F351-V458 HydrophobicContact CG-CG1 4.02Å; F351-V458 HydrophobicContact CG-CG2 3.73Å; F351-V458 HydrophobicContact CZ-CG1 4.15Å; E387-V458 HydrophobicContact CB-CG1 3.95Å; V458-C460 PolarHBondContact O-SG 3.22Å
459C95.8Very high93.5Very high8 Ų844.6 Ų44.65%0.05425%0.245CC..EExtended strand (participates in β ladder)trans-79.3124.1176.4-63.80000109.6E387 F388 E457E387-C459 CarbonylContact C-O 3.5Å; E387-C459 VanDerWaalsContact CA-O 3.22Å; E387-C459 WeakPolarHBondContact CA-O 3.44Å; F388-C459 HydrophobicContact CD1-CB 3.99Å; F388-C459 HydrophobicContact CD2-CB 4.29Å; F388-C459 HydrophobicContact CE1-CB 3.54Å; F388-C459 HydrophobicContact CE2-CB 3.86Å; F388-C459 HydrophobicContact CG-CB 4.35Å; F388-C459 HydrophobicContact CZ-CB 3.46Å; F388-C459 VanDerWaalsContact CZ-CB 3.46Å; F388-C459 PolarHBondContact N-O 3Å; F388-C459 PolarHBondContact O-N 3.37Å; E457-C459 PolarHBondContact O-N 2.64Å
460C93.9Very high93.5Very high6 Ų642.8 Ų42.84%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-126.2155.4-175.4-54.40000110.9W343 W386 E387 V458W343-C460 HydrophobicContact CD2-CB 3.66Å; W343-C460 HydrophobicContact CE3-CB 4.49Å; W343-C460 HydrophobicContact CG-CB 3.79Å; W343-C460 HydrophobicContact CZ2-CB 3.76Å; W343-C460 PolarHBondContact N-O 3.34Å; W343-C460 WeakPolarHBondContact O-CA 3.34Å; W343-C460 PolarHBondContact O-N 3.3Å; W343-C460 VanDerWaalsContact O-O 3.04Å; W386-C460 CarbonylContact O-C 3.59Å; W386-C460 VanDerWaalsContact O-CA 3.29Å; W386-C460 WeakPolarHBondContact O-CA 3.35Å; E387-C460 HydrophobicContact CB-CB 4.49Å; V458-C460 PolarHBondContact O-SG 3.22Å
461G89.7Confident93.5Very high0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-166.7167.1171.300000113.7T341 W343 V385 W386T341-G461 CarbonylContact O-C 3.53Å; T341-G461 WeakPolarHBondContact O-CA 3.47Å; W343-G461 VanDerWaalsContact CZ3-C 3.44Å; W343-G461 VanDerWaalsContact CZ3-CA 3.42Å; V385-G461 CarbonylContact C-O 3.55Å; V385-G461 WeakPolarHBondContact CA-O 3.38Å; V385-G461 WeakPolarHBondContact CG1-O 3.19Å; W386-G461 VanDerWaalsContact CE2-CA 3.46Å; W386-G461 PolarHBondContact N-O 2.91Å; W386-G461 PolarHBondContact O-N 2.81Å
462S92.2Very high93.6Very high28 Ų2833 Ų3320%0.19619%0.191CC..EExtended strand (participates in β ladder)trans-141.7151174.564.40000111.7T341 I384T341-S462 PolarHBondContact N-O 3.46Å; T341-S462 PolarHBondContact O-N 3.35Å; I384-S462 CarbonylContact O-C 3.6Å; I384-S462 WeakPolarHBondContact O-CA 3.23Å
463H91.9Very high93.7Very high3 Ų330.4 Ų30.41%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-146.7130.3177.6-175.6-82.9000110.8H338 P340 S383 I384 W386 I446 Y471H338-H463 PolarHBondContact O-CD2 2.84Å; H338-H463 PolarHBondContact O-NE2 2.89Å; P340-H463 HydrophobicContact CB-CB 4.49Å; S383-H463 CarbonylContact C-O 3.6Å; S383-H463 VanDerWaalsContact CA-O 3.27Å; S383-H463 WeakPolarHBondContact CA-O 3.41Å; S383-H463 WeakPolarHBondContact CB-O 3.38Å; I384-H463 HydrophobicContact CG2-CB 4.06Å; I384-H463 PolarHBondContact N-O 3.37Å; I384-H463 PolarHBondContact O-N 3.34Å; W386-H463 HydrophobicContact CH2-CB 4.16Å; W386-H463 HydrophobicContact CZ3-CB 3.93Å; I446-H463 WeakPolarHBondContact CG2-CD2 3.42Å; I446-H463 WeakPolarHBondContact CG2-NE2 3.32Å; H463-Y471 HydrophobicContact CB-CE1 4.42Å; H463-Y471 AromaticContact ND1-CE1 3.73Å; H463-Y471 AromaticContact ND1-CZ 3.71Å; H463-Y471 PolarHBondContact ND1-OH 3.33Å
464L89.8Confident93.9Very high96 Ų9629.2 Ų29.250%0.50317%0.168SC..EExtended strand (participates in β ladder)trans-67139.5175.1-65.8175.3000110.1P466 Y471L464-P466 WeakPolarHBondContact O-CD 3.4Å; L464-Y471 PolarHBondContact O-OH 2.75Å
465Y92.6Very high94Very high34 Ų3429.4 Ų29.413%0.13317%0.169CC..  trans-60.7122.2178.4-72.90.5000110.2T377 G381 T382 S383 I384 Y471 Y493T377-Y465 HydrophobicContact CG2-CD1 4.12Å; T377-Y465 HydrophobicContact CG2-CD2 3.93Å; T377-Y465 HydrophobicContact CG2-CE1 4.15Å; T377-Y465 HydrophobicContact CG2-CE2 3.96Å; T377-Y465 HydrophobicContact CG2-CG 4Å; G381-Y465 VanDerWaalsContact C-CE2 3.42Å; G381-Y465 WeakPolarHBondContact O-CD2 3.42Å; G381-Y465 WeakPolarHBondContact O-CE2 3.17Å; T382-Y465 PolarHBondContact O-N 3Å; S383-Y465 WeakPolarHBondContact O-CE1 2.93Å; I384-Y465 HydrophobicContact CB-CE1 3.97Å; Y465-Y471 AromaticContact CD1-CE2 3.7Å; Y465-Y471 HydrophobicContact CD1-CE2 3.7Å; Y465-Y471 AromaticContact CE1-CE2 3.77Å; Y465-Y471 HydrophobicContact CE1-CE2 3.77Å; Y465-Y493 WeakPolarHBondContact OH-CB 3.25Å
466P91.9Very high94.2Very high10 Ų1028.9 Ų28.97%0.06517%0.168CC..  trans-74.7-20.9174.432.5-34.8000111.3V337 F401 W403 L464 Y471V337-P466 HydrophobicContact CG2-CB 4.04Å; F401-P466 HydrophobicContact CD1-CG 3.64Å; F401-P466 HydrophobicContact CD2-CG 3.96Å; F401-P466 HydrophobicContact CE1-CG 3.59Å; F401-P466 HydrophobicContact CE2-CG 3.91Å; F401-P466 HydrophobicContact CG-CG 3.82Å; F401-P466 HydrophobicContact CZ-CG 3.72Å; W403-P466 HydrophobicContact CH2-CB 3.81Å; W403-P466 HydrophobicContact CH2-CG 4.32Å; W403-P466 WeakPolarHBondContact CH2-O 3.41Å; W403-P466 HydrophobicContact CZ2-CB 4.09Å; W403-P466 HydrophobicContact CZ2-CG 4.45Å; L464-P466 WeakPolarHBondContact O-CD 3.4Å; P466-Y471 VanDerWaalsContact CD-OH 3.27Å; P466-Y471 WeakPolarHBondContact CD-OH 3.45Å
467G91.7Very high94.4Very high27 Ų2724.1 Ų24.128%0.27814%0.142SC..SBendtrans165.9-159.9178.800000111.2F401F401-G467 WeakPolarHBondContact CZ-O 3.34Å
468A92.6Very high94.4Very high69 Ų6923.1 Ų23.157%0.5715%0.145SC*.SBendtrans-78.5131.4174.100000111.1A404A404-A468 PolarHBondContact N-O 3.47Å; A404-A468 VanDerWaalsContact N-O 3.16Å
469G94.2Very high94.2Very high8 Ų826.8 Ų26.88%0.08216%0.161CC..EExtended strand (participates in β ladder)trans166.8-162.6-176.100000112.9T377 F401 E402T377-G469 PolarHBondContact N-O 3.47Å; T377-G469 PolarHBondContact OG1-N 2.93Å; T377-G469 PolarHBondContact OG1-O 3.37Å; F401-G469 VanDerWaalsContact CZ-CA 3.49Å; E402-G469 CarbonylContact O-C 3.46Å; E402-G469 WeakPolarHBondContact O-CA 3.31Å
470T96.3Very high93.8Very high23 Ų2327 Ų2714%0.14116%0.163CC..EExtended strand (participates in β ladder)trans-126.8123.1-175.9-55.90000110.6R374 V375 Q376 E402R374-T470 HydrophobicContact CB-CG2 4.03Å; V375-T470 CarbonylContact O-C 3.59Å; Q376-T470 HydrophobicContact CG-CG2 4.49Å; E402-T470 PolarHBondContact N-O 3Å; E402-T470 PolarHBondContact O-N 3.49Å
471Y97Very high93.2Very high0 Ų032.1 Ų32.10%019%0.189CC..EExtended strand (participates in β ladder)trans-74137.7167-76.6-86.2000110.6R374 V375 T377 I384 L399 F400 F401 I446 H463 L464 Y465 P466R374-Y471 CarbonylContact C-O 3.57Å; R374-Y471 VanDerWaalsContact CA-O 3.31Å; R374-Y471 WeakPolarHBondContact CA-O 3.29Å; V375-Y471 PolarHBondContact N-O 3.42Å; V375-Y471 PolarHBondContact O-N 3.07Å; T377-Y471 HydrophobicContact CG2-CD2 4.12Å; T377-Y471 HydrophobicContact CG2-CE2 3.8Å; I384-Y471 HydrophobicContact CB-CD2 4.38Å; I384-Y471 HydrophobicContact CB-CE2 4.15Å; I384-Y471 HydrophobicContact CD1-CD1 4.5Å; I384-Y471 HydrophobicContact CD1-CD2 3.63Å; I384-Y471 HydrophobicContact CD1-CE2 4.24Å; I384-Y471 HydrophobicContact CD1-CG 3.77Å; I384-Y471 HydrophobicContact CG2-CD1 4.04Å; I384-Y471 HydrophobicContact CG2-CD2 4.24Å; I384-Y471 HydrophobicContact CG2-CE1 3.7Å; I384-Y471 HydrophobicContact CG2-CE2 3.92Å; I384-Y471 HydrophobicContact CG2-CG 4.28Å; L399-Y471 HydrophobicContact CD1-CD1 3.88Å; L399-Y471 HydrophobicContact CD2-CD1 4.24Å; L399-Y471 HydrophobicContact CD2-CE1 4.38Å; L399-Y471 HydrophobicContact CG-CD1 4.18Å; F400-Y471 CarbonylContact O-C 3.6Å; F400-Y471 WeakPolarHBondContact O-CA 3.44Å; F401-Y471 HydrophobicContact CD2-CD1 4.02Å; F401-Y471 AromaticContact CD2-CD2 3.97Å; F401-Y471 HydrophobicContact CD2-CD2 3.97Å; F401-Y471 AromaticContact CD2-CE1 3.94Å; F401-Y471 HydrophobicContact CD2-CE1 3.94Å; F401-Y471 AromaticContact CD2-CE2 3.87Å; F401-Y471 HydrophobicContact CD2-CE2 3.87Å; F401-Y471 HydrophobicContact CD2-CG 4.05Å; F401-Y471 AromaticContact CD2-CZ 3.84Å; F401-Y471 AromaticContact CE2-CD2 3.99Å; F401-Y471 HydrophobicContact CE2-CD2 3.99Å; F401-Y471 AromaticContact CE2-CE2 3.74Å; F401-Y471 HydrophobicContact CE2-CE2 3.74Å; I446-Y471 HydrophobicContact CD1-CD1 4.09Å; I446-Y471 HydrophobicContact CD1-CE1 3.56Å; H463-Y471 HydrophobicContact CB-CE1 4.42Å; H463-Y471 AromaticContact ND1-CE1 3.73Å; H463-Y471 AromaticContact ND1-CZ 3.71Å; H463-Y471 PolarHBondContact ND1-OH 3.33Å; L464-Y471 PolarHBondContact O-OH 2.75Å; Y465-Y471 AromaticContact CD1-CE2 3.7Å; Y465-Y471 HydrophobicContact CD1-CE2 3.7Å; Y465-Y471 AromaticContact CE1-CE2 3.77Å; Y465-Y471 HydrophobicContact CE1-CE2 3.77Å; P466-Y471 VanDerWaalsContact CD-OH 3.27Å; P466-Y471 WeakPolarHBondContact CD-OH 3.45Å
472V97.9Very high92.9Very high5 Ų533.7 Ų33.73%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-121.7103.6174.9-171.90000108.9V373 R374 F400 E402 K474V373-V472 WeakPolarHBondContact O-CA 3.38Å; R374-V472 HydrophobicContact CG-CG1 4.41Å; R374-V472 HydrophobicContact CG-CG2 4.35Å; F400-V472 HydrophobicContact CB-CB 4.31Å; F400-V472 PolarHBondContact N-O 3.3Å; F400-V472 PolarHBondContact O-N 2.97Å; E402-V472 HydrophobicContact CG-CG2 3.93Å; E402-V472 WeakPolarHBondContact OE1-CG2 3.35Å; V472-K474 HydrophobicContact CG1-CG 4.18Å
473F98.3Very high92.8Very high1 Ų136 Ų360%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-84.3116.9173.9-61.3-100000108.5S372 V373 V375 I384 W386 F397 L399 F475 V491S372-F473 CarbonylContact C-O 3.5Å; S372-F473 VanDerWaalsContact CA-O 3.24Å; S372-F473 WeakPolarHBondContact CA-O 3.41Å; V373-F473 HydrophobicContact CB-CB 4.17Å; V373-F473 PolarHBondContact N-O 3.29Å; V373-F473 PolarHBondContact O-N 2.97Å; V375-F473 HydrophobicContact CB-CE2 4.18Å; V375-F473 HydrophobicContact CG2-CD2 4.15Å; V375-F473 HydrophobicContact CG2-CE2 3.85Å; I384-F473 HydrophobicContact CD1-CE2 3.62Å; I384-F473 HydrophobicContact CD1-CZ 3.49Å; I384-F473 VanDerWaalsContact CD1-CZ 3.49Å; I384-F473 HydrophobicContact CG1-CZ 3.94Å; W386-F473 HydrophobicContact CB-CD1 4.43Å; W386-F473 HydrophobicContact CB-CE1 3.7Å; W386-F473 HydrophobicContact CB-CZ 4.39Å; W386-F473 AromaticContact CD2-CE1 3.68Å; W386-F473 HydrophobicContact CD2-CE1 3.68Å; W386-F473 AromaticContact CE3-CE1 3.75Å; W386-F473 HydrophobicContact CE3-CE1 3.75Å; W386-F473 HydrophobicContact CE3-CZ 4.2Å; W386-F473 HydrophobicContact CG-CD1 4.34Å; W386-F473 AromaticContact CG-CE1 3.68Å; W386-F473 HydrophobicContact CG-CE1 3.68Å; F397-F473 HydrophobicContact CE2-CB 4.34Å; F397-F473 AromaticContact CE2-CD1 3.9Å; F397-F473 HydrophobicContact CE2-CD1 3.9Å; F397-F473 AromaticContact CZ-CD1 3.91Å; F397-F473 HydrophobicContact CZ-CD1 3.91Å; L399-F473 HydrophobicContact CD1-CD1 3.65Å; L399-F473 HydrophobicContact CD1-CD2 4.12Å; L399-F473 HydrophobicContact CD1-CE1 3.63Å; L399-F473 HydrophobicContact CD1-CE2 4.1Å; L399-F473 HydrophobicContact CD1-CG 3.88Å; L399-F473 HydrophobicContact CD1-CZ 3.86Å; F473-F475 HydrophobicContact CB-CE2 4.06Å; F473-V491 HydrophobicContact CD1-CG2 4.47Å; F473-V491 HydrophobicContact CD2-CG2 4.43Å; F473-V491 HydrophobicContact CE1-CG1 4.38Å; F473-V491 HydrophobicContact CE1-CG2 4.25Å; F473-V491 HydrophobicContact CE2-CG1 3.76Å; F473-V491 HydrophobicContact CE2-CG2 4.2Å; F473-V491 HydrophobicContact CZ-CG1 3.57Å; F473-V491 HydrophobicContact CZ-CG2 4.11Å
474K98.2Very high92.8Very high71 Ų7137.5 Ų37.531%0.30921%0.21SC..EExtended strand (participates in β ladder)trans-104.6120.7178.4-64.4-165.7-175.41680110.4V370 F397 G398 F400 V472V370-K474 HydrophobicContact CG1-CB 4.48Å; F397-K474 VanDerWaalsContact CA-O 3.3Å; F397-K474 WeakPolarHBondContact CA-O 3.33Å; G398-K474 PolarHBondContact N-O 2.77Å; G398-K474 PolarHBondContact O-N 2.96Å; F400-K474 HydrophobicContact CD2-CD 3.89Å; F400-K474 HydrophobicContact CD2-CG 4Å; F400-K474 HydrophobicContact CE2-CB 4.35Å; F400-K474 HydrophobicContact CE2-CD 3.55Å; F400-K474 HydrophobicContact CE2-CG 3.93Å; F400-K474 HydrophobicContact CZ-CD 4.4Å; V472-K474 HydrophobicContact CG1-CG 4.18Å
475F98.4Very high93Very high4 Ų433 Ų332%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-105.6104.4172.4-64.5-78.1000109.1I365 V370 Y371 V373 F388 I395 G396 F397 F473 L487I365-F475 HydrophobicContact CD1-CB 3.56Å; I365-F475 HydrophobicContact CD1-CG 4.42Å; V370-F475 WeakPolarHBondContact CA-O 3.3Å; Y371-F475 HydrophobicContact CD1-CD2 4.3Å; Y371-F475 PolarHBondContact N-O 3.16Å; Y371-F475 PolarHBondContact O-N 3.42Å; V373-F475 HydrophobicContact CG2-CE2 4.18Å; F388-F475 HydrophobicContact CB-CE1 4.06Å; F388-F475 HydrophobicContact CB-CZ 4.33Å; F388-F475 AromaticContact CD1-CE1 3.85Å; F388-F475 HydrophobicContact CD1-CE1 3.85Å; F388-F475 HydrophobicContact CD1-CZ 4.32Å; F388-F475 HydrophobicContact CD2-CD1 4.39Å; F388-F475 AromaticContact CD2-CE1 3.74Å; F388-F475 HydrophobicContact CD2-CE1 3.74Å; F388-F475 HydrophobicContact CE1-CE1 4.18Å; F388-F475 HydrophobicContact CE2-CE1 4.09Å; F388-F475 AromaticContact CG-CE1 3.61Å; F388-F475 HydrophobicContact CG-CE1 3.61Å; F388-F475 HydrophobicContact CG-CZ 4.24Å; F388-F475 HydrophobicContact CZ-CE1 4.3Å; I395-F475 HydrophobicContact CD1-CB 3.9Å; I395-F475 HydrophobicContact CG2-CD1 4.44Å; G396-F475 CarbonylContact O-C 3.59Å; G396-F475 WeakPolarHBondContact O-CA 3.5Å; F397-F475 AromaticContact CD2-CD1 3.99Å; F397-F475 HydrophobicContact CD2-CD1 3.99Å; F397-F475 AromaticContact CD2-CE1 3.66Å; F397-F475 HydrophobicContact CD2-CE1 3.66Å; F397-F475 HydrophobicContact CD2-CZ 4.18Å; F397-F475 HydrophobicContact CE2-CE1 4Å; F397-F475 HydrophobicContact CE2-CZ 4.07Å; F473-F475 HydrophobicContact CB-CE2 4.06Å; F475-L487 HydrophobicContact CB-CD2 4.04Å; F475-L487 HydrophobicContact CD1-CD1 3.75Å; F475-L487 HydrophobicContact CD1-CD2 3.56Å; F475-L487 HydrophobicContact CD1-CG 4.33Å; F475-L487 HydrophobicContact CD2-CD2 3.48Å; F475-L487 VanDerWaalsContact CD2-CD2 3.48Å; F475-L487 HydrophobicContact CE1-CD1 3.72Å; F475-L487 HydrophobicContact CE1-CD2 3.78Å; F475-L487 HydrophobicContact CE1-CG 4.39Å; F475-L487 HydrophobicContact CE2-CD2 3.69Å; F475-L487 HydrophobicContact CG-CD1 4.43Å; F475-L487 HydrophobicContact CG-CD2 3.39Å; F475-L487 HydrophobicContact CZ-CD1 4.36Å; F475-L487 HydrophobicContact CZ-CD2 3.83Å
476D97.6Very high93.2Very high29 Ų2932.9 Ų32.916%0.15519%0.189CC..EExtended strand (participates in β ladder)trans-99.4115.5-169.2-179.32000111.2V370 I395 G396 V449 S478 F479V370-D476 HydrophobicContact CG1-CB 4.43Å; V370-D476 HydrophobicContact CG2-CB 4.29Å; V370-D476 WeakPolarHBondContact CG2-OD1 3.46Å; I395-D476 VanDerWaalsContact CG1-O 3.25Å; I395-D476 WeakPolarHBondContact CG1-O 3.31Å; G396-D476 PolarHBondContact N-O 3Å; G396-D476 PolarHBondContact O-N 3.28Å; V449-D476 HydrophobicContact CG1-CB 3.8Å; D476-S478 WeakPolarHBondContact OD1-CA 3.48Å; D476-S478 WeakPolarHBondContact OD1-CB 3.42Å; D476-S478 PolarHBondContact OD1-N 2.67Å; D476-S478 PolarHBondContact OD1-OG 3.14Å; D476-S478 PolarHBondContact OD2-OG 3.17Å; D476-F479 WeakPolarHBondContact O-CE1 3.39Å
477N96.7Very high93.4Very high0 Ų032.4 Ų32.40%019%0.186CC..  trans-117.719.2169.9-165.125.3000112.6I365 N366 G368 E369 F479 S480 R483 K485I365-N477 HydrophobicContact CG2-CB 3.64Å; I365-N477 PolarHBondContact O-ND2 2.86Å; N366-N477 VanDerWaalsContact C-ND2 3.35Å; N366-N477 PolarHBondContact O-ND2 3.08Å; G368-N477 PolarHBondContact N-O 2.82Å; E369-N477 CarbonylContact O-C 3.52Å; E369-N477 WeakPolarHBondContact O-CA 3.45Å; E369-N477 WeakPolarHBondContact O-CB 3.26Å; E369-N477 PolarHBondContact O-N 3.36Å; N477-F479 PolarHBondContact O-N 3.09Å; N477-S480 PolarHBondContact O-N 3.26Å; N477-S480 VanDerWaalsContact O-N 3.17Å; N477-S480 WeakPolarHBondContact OD1-CB 3.38Å; N477-S480 PolarHBondContact OD1-OG 3.33Å; N477-R483 PolarHBondContact ND2-O 3.49Å; N477-K485 WeakPolarHBondContact OD1-CE 3.25Å
478S92.6Very high93.7Very high64 Ų6432 Ų3245%0.44818%0.176SC..THydrogen-bonded Turntrans-61.4-30.3-179.867.60000112.6E369 D476 S480E369-S478 PolarHBondContact O-N 3.28Å; D476-S478 WeakPolarHBondContact OD1-CA 3.48Å; D476-S478 WeakPolarHBondContact OD1-CB 3.42Å; D476-S478 PolarHBondContact OD1-N 2.67Å; D476-S478 PolarHBondContact OD1-OG 3.14Å; D476-S478 PolarHBondContact OD2-OG 3.17Å; S478-S480 VanDerWaalsContact C-N 3.34Å
479F88.2Confident93.9Very high76 Ų7629.2 Ų29.233%0.33315%0.151SC..THydrogen-bonded Turntrans-77.7-15.2179.660.1-98.5000114R451 D476 N477R451-F479 HydrophobicContact CG-CE1 4.22Å; R451-F479 HydrophobicContact CG-CZ 4.24Å; D476-F479 WeakPolarHBondContact O-CE1 3.39Å; N477-F479 PolarHBondContact O-N 3.09Å
480S87.4Confident93.8Very high14 Ų1430.8 Ų30.810%0.09816%0.155CC..  trans-78.6128.5175.6-68.40000109.9S367 G368 N477 S478 R483S367-S480 VanDerWaalsContact OG-CB 3.3Å; S367-S480 WeakPolarHBondContact OG-CB 3.46Å; S367-S480 PolarHBondContact OG-O 3.04Å; G368-S480 PolarHBondContact N-O 2.83Å; G368-S480 VanDerWaalsContact N-O 3.14Å; N477-S480 PolarHBondContact O-N 3.26Å; N477-S480 VanDerWaalsContact O-N 3.17Å; N477-S480 WeakPolarHBondContact OD1-CB 3.38Å; N477-S480 PolarHBondContact OD1-OG 3.33Å; S478-S480 VanDerWaalsContact C-N 3.34Å; S480-R483 VanDerWaalsContact CB-O 3.29Å; S480-R483 WeakPolarHBondContact CB-O 3.36Å
481L82.7Confident93.5Very high113 Ų11330.9 Ų30.959%0.59216%0.155SC*.SBendtrans-81.8-36.2173.5-64.7174.4000112.9S367S367-L481 PolarHBondContact OG-N 3.42Å; S367-L481 PolarHBondContact OG-O 3.04Å
482W83.7Confident93.1Very high33 Ų3332.8 Ų32.813%0.12517%0.168CC..SBendtrans-129.7-14.8-171.3-43.4122.1000115.4F35 K39 L113 Y117 A120 S367F35-W482 HydrophobicContact CD2-CH2 4.3Å; F35-W482 HydrophobicContact CD2-CZ3 4.36Å; F35-W482 AromaticContact CE2-CH2 3.51Å; F35-W482 HydrophobicContact CE2-CH2 3.51Å; F35-W482 AromaticContact CE2-CZ2 3.71Å; F35-W482 HydrophobicContact CE2-CZ2 3.71Å; F35-W482 AromaticContact CE2-CZ3 3.97Å; F35-W482 HydrophobicContact CE2-CZ3 3.97Å; F35-W482 HydrophobicContact CZ-CH2 4.27Å; F35-W482 HydrophobicContact CZ-CZ2 4.29Å; K39-W482 HydrophobicContact CD-CH2 3.88Å; K39-W482 HydrophobicContact CD-CZ3 3.82Å; K39-W482 HydrophobicContact CG-CH2 3.94Å; K39-W482 HydrophobicContact CG-CZ3 4.05Å; L113-W482 HydrophobicContact CB-CZ2 4.11Å; L113-W482 HydrophobicContact CD1-CZ2 4.39Å; Y117-W482 HydrophobicContact CD2-CB 4.25Å; Y117-W482 AromaticContact CD2-CD2 3.94Å; Y117-W482 HydrophobicContact CD2-CD2 3.94Å; Y117-W482 AromaticContact CD2-CE3 3.5Å; Y117-W482 HydrophobicContact CD2-CE3 3.5Å; Y117-W482 VanDerWaalsContact CD2-CE3 3.5Å; Y117-W482 HydrophobicContact CD2-CG 4.27Å; Y117-W482 HydrophobicContact CD2-CZ3 4.19Å; Y117-W482 HydrophobicContact CE2-CE3 4.25Å; Y117-W482 HydrophobicContact CG-CD2 4.47Å; Y117-W482 HydrophobicContact CG-CE3 4.34Å; A120-W482 HydrophobicContact CB-CB 3.99Å; S367-W482 WeakPolarHBondContact OG-CA 3.47Å; S367-W482 PolarHBondContact OG-N 3.33Å
483R88.7Confident92.5Very high76 Ų7633.4 Ų33.429%0.28717%0.17SC..  trans-105.3112.7-165.3-67.6173.6-179.9110.74.7109.5A120 S367 Y393 N477 S480A120-R483 HydrophobicContact CB-CG 3.65Å; S367-R483 PolarHBondContact OG-N 3.09Å; Y393-R483 HydrophobicContact CD2-CB 4.41Å; Y393-R483 VanDerWaalsContact CE1-CD 3.46Å; Y393-R483 HydrophobicContact CE2-CB 4.36Å; Y393-R483 HydrophobicContact CE2-CG 4.14Å; Y393-R483 VanDerWaalsContact CZ-CD 3.41Å; Y393-R483 PolarHBondContact OH-NE 3.18Å; N477-R483 PolarHBondContact ND2-O 3.49Å; S480-R483 VanDerWaalsContact CB-O 3.29Å; S480-R483 WeakPolarHBondContact CB-O 3.36Å
484S91.9Very high91.5Very high34 Ų3435.5 Ų35.524%0.23818%0.183CC..  trans-77.1156.7164.1-53.90000109.2R364 I365R364-S484 PolarHBondContact NH2-OG 3.2Å; I365-S484 CarbonylContact O-C 3.17Å; I365-S484 VanDerWaalsContact O-CA 3.31Å; I365-S484 WeakPolarHBondContact O-CA 3.31Å
485K94.5Very high90.4Very high3 Ų337.9 Ų37.91%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-126.5136178.2-60.8177.6-158-73.90109.5R364 I365 D394 I395 N477R364-K485 CarbonylContact C-O 3.56Å; R364-K485 WeakPolarHBondContact CA-O 3.38Å; I365-K485 PolarHBondContact N-O 3.05Å; I365-K485 PolarHBondContact O-N 3.41Å; D394-K485 VanDerWaalsContact O-CD 3.29Å; D394-K485 WeakPolarHBondContact O-CD 3.34Å; D394-K485 WeakPolarHBondContact O-CE 3.49Å; D394-K485 PolarHBondContact O-NZ 2.93Å; I395-K485 HydrophobicContact CB-CD 3.82Å; I395-K485 HydrophobicContact CD1-CD 4Å; I395-K485 HydrophobicContact CG1-CD 3.85Å; N477-K485 WeakPolarHBondContact OD1-CE 3.25Å
486T95.8Very high90Very high31 Ų3139.6 Ų39.619%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-89.5117.8165-52.80000107.1V362 I363 T390 D391 Y488V362-T486 HydrophobicContact CG1-CG2 3.6Å; I363-T486 CarbonylContact O-C 3.46Å; T390-T486 CarbonylContact C-O 3.57Å; T390-T486 WeakPolarHBondContact CA-O 3.34Å; D391-T486 PolarHBondContact N-O 2.93Å; D391-T486 WeakPolarHBondContact OD2-CB 3.38Å; T486-Y488 HydrophobicContact CG2-CD2 4.41Å; T486-Y488 HydrophobicContact CG2-CE2 3.68Å
487L97.3Very high89.7Confident0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-100.1129.6177.5173.772.8000108.8V362 I363 I365 F388 T390 F475 Y489V362-L487 CarbonylContact C-O 3.52Å; V362-L487 WeakPolarHBondContact CA-O 3.35Å; I363-L487 HydrophobicContact CG2-CB 3.83Å; I363-L487 HydrophobicContact CG2-CD2 3.78Å; I363-L487 HydrophobicContact CG2-CG 4.2Å; I363-L487 PolarHBondContact N-O 3.43Å; I363-L487 PolarHBondContact O-N 3.15Å; I365-L487 HydrophobicContact CD1-CB 4.04Å; I365-L487 HydrophobicContact CD1-CD2 3.86Å; F388-L487 HydrophobicContact CB-CD1 3.93Å; F388-L487 HydrophobicContact CD2-CD1 3.83Å; F388-L487 HydrophobicContact CG-CD1 4.24Å; T390-L487 HydrophobicContact CG2-CB 4.39Å; T390-L487 HydrophobicContact CG2-CD1 3.82Å; F475-L487 HydrophobicContact CB-CD2 4.04Å; F475-L487 HydrophobicContact CD1-CD1 3.75Å; F475-L487 HydrophobicContact CD1-CD2 3.56Å; F475-L487 HydrophobicContact CD1-CG 4.33Å; F475-L487 HydrophobicContact CD2-CD2 3.48Å; F475-L487 VanDerWaalsContact CD2-CD2 3.48Å; F475-L487 HydrophobicContact CE1-CD1 3.72Å; F475-L487 HydrophobicContact CE1-CD2 3.78Å; F475-L487 HydrophobicContact CE1-CG 4.39Å; F475-L487 HydrophobicContact CE2-CD2 3.69Å; F475-L487 HydrophobicContact CG-CD1 4.43Å; F475-L487 HydrophobicContact CG-CD2 3.39Å; F475-L487 HydrophobicContact CZ-CD1 4.36Å; F475-L487 HydrophobicContact CZ-CD2 3.83Å; L487-Y489 HydrophobicContact CD2-CD1 4.24Å; L487-Y489 HydrophobicContact CD2-CG 4.44Å; L487-Y489 HydrophobicContact CG-CD1 4.38Å
488Y97.4Very high89.3Confident17 Ų1742.3 Ų42.37%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-110123.9170.6-55.5-104.4000106.1K352 L355 S361 V362 F388 A389 D391 T486K352-Y488 HydrophobicContact CB-CD1 3.99Å; K352-Y488 HydrophobicContact CB-CD2 4.32Å; K352-Y488 HydrophobicContact CB-CE1 3.97Å; K352-Y488 HydrophobicContact CB-CE2 4.31Å; K352-Y488 HydrophobicContact CB-CG 4.17Å; K352-Y488 HydrophobicContact CD-CD2 4.08Å; K352-Y488 HydrophobicContact CD-CE2 3.91Å; K352-Y488 HydrophobicContact CG-CD1 4.14Å; K352-Y488 HydrophobicContact CG-CD2 3.64Å; K352-Y488 HydrophobicContact CG-CE1 4.34Å; K352-Y488 HydrophobicContact CG-CE2 3.86Å; K352-Y488 HydrophobicContact CG-CG 3.8Å; L355-Y488 HydrophobicContact CB-CD1 4.19Å; S361-Y488 CarbonylContact O-C 3.47Å; S361-Y488 VanDerWaalsContact O-CA 3.32Å; S361-Y488 WeakPolarHBondContact O-CA 3.4Å; V362-Y488 HydrophobicContact CG1-CD1 4.19Å; V362-Y488 HydrophobicContact CG1-CE1 4.01Å; V362-Y488 HydrophobicContact CG2-CD1 3.64Å; V362-Y488 HydrophobicContact CG2-CE1 3.96Å; F388-Y488 CarbonylContact C-O 3.59Å; F388-Y488 WeakPolarHBondContact CA-O 3.25Å; F388-Y488 WeakPolarHBondContact CB-O 3.43Å; A389-Y488 PolarHBondContact N-O 3.31Å; A389-Y488 PolarHBondContact O-N 3.04Å; D391-Y488 WeakPolarHBondContact OD1-CE2 3.48Å; D391-Y488 WeakPolarHBondContact OD2-CE2 3.45Å; D391-Y488 PolarHBondContact OD2-OH 2.86Å; T486-Y488 HydrophobicContact CG2-CD2 4.41Å; T486-Y488 HydrophobicContact CG2-CE2 3.68Å
489Y96.6Very high89.1Confident12 Ų1241.1 Ų41.15%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-146.4154.9-174.678.1-71.2000112.2E360 S361 I363 V373 E387 L487 V491E360-Y489 VanDerWaalsContact O-CE1 3.29Å; E360-Y489 WeakPolarHBondContact O-CE1 3.2Å; E360-Y489 PolarHBondContact O-OH 3.5Å; S361-Y489 WeakPolarHBondContact CB-O 3.34Å; S361-Y489 WeakPolarHBondContact O-CD1 3.33Å; S361-Y489 PolarHBondContact O-N 3.48Å; I363-Y489 HydrophobicContact CG2-CD1 4.49Å; I363-Y489 HydrophobicContact CG2-CE1 4.37Å; V373-Y489 HydrophobicContact CG1-CE2 4.14Å; V373-Y489 HydrophobicContact CG2-CD2 4.43Å; V373-Y489 HydrophobicContact CG2-CE2 3.79Å; E387-Y489 CarbonylContact O-C 3.54Å; E387-Y489 VanDerWaalsContact O-CA 3.28Å; E387-Y489 WeakPolarHBondContact O-CA 3.14Å; L487-Y489 HydrophobicContact CD2-CD1 4.24Å; L487-Y489 HydrophobicContact CD2-CG 4.44Å; L487-Y489 HydrophobicContact CG-CD1 4.38Å; Y489-V491 HydrophobicContact CD2-CG2 4.14Å; Y489-V491 HydrophobicContact CE2-CG2 4.47Å
490R92.2Very high89.1Confident41 Ų4138.9 Ų38.916%0.15519%0.191CC..EExtended strand (participates in β ladder)trans-138.8142.2167.8-75-171.8-79.6-146.20109.5Q213 L355 W386 E387Q213-R490 VanDerWaalsContact NE2-CZ 3.33Å; L355-R490 HydrophobicContact CD1-CG 4.04Å; L355-R490 HydrophobicContact CD2-CG 3.85Å; W386-R490 VanDerWaalsContact CA-O 3.25Å; W386-R490 WeakPolarHBondContact CA-O 3.35Å; E387-R490 HydrophobicContact CG-CB 4.01Å; E387-R490 PolarHBondContact N-O 3.29Å; E387-R490 PolarHBondContact O-N 3.32Å; E387-R490 IonicContact OE1-CZ 3.33Å; E387-R490 IonicContact OE1-NE 3.34Å; E387-R490 PolarHBondContact OE1-NE 2.64Å; E387-R490 IonicContact OE1-NH2 2.67Å; E387-R490 PolarHBondContact OE1-NH2 2.96Å
491V91.2Very high89.2Confident24 Ų2440.5 Ų40.515%0.14520%0.197CC..EExtended strand (participates in β ladder)trans-131.6129172-173.70000108.5V375 I384 V385 W386 F473 Y489V375-V491 HydrophobicContact CG2-CB 4.49Å; V375-V491 HydrophobicContact CG2-CG1 4.07Å; I384-V491 HydrophobicContact CD1-CG1 3.61Å; I384-V491 HydrophobicContact CG1-CG1 3.6Å; V385-V491 WeakPolarHBondContact O-CA 2.89Å; W386-V491 HydrophobicContact CB-CG2 4.14Å; F473-V491 HydrophobicContact CD1-CG2 4.47Å; F473-V491 HydrophobicContact CD2-CG2 4.43Å; F473-V491 HydrophobicContact CE1-CG1 4.38Å; F473-V491 HydrophobicContact CE1-CG2 4.25Å; F473-V491 HydrophobicContact CE2-CG1 3.76Å; F473-V491 HydrophobicContact CE2-CG2 4.2Å; F473-V491 HydrophobicContact CZ-CG1 3.57Å; F473-V491 HydrophobicContact CZ-CG2 4.11Å; Y489-V491 HydrophobicContact CD2-CG2 4.14Å; Y489-V491 HydrophobicContact CE2-CG2 4.47Å
492C88.8Confident89.7Confident41 Ų4135.4 Ų35.428%0.27717%0.169SC..EExtended strand (participates in β ladder)trans-133.1156.5-178.9-59.60000109.4I384 V385I384-C492 CarbonylContact C-O 3.53Å; I384-C492 WeakPolarHBondContact CA-O 3.38Å; V385-C492 PolarHBondContact N-O 3.12Å; V385-C492 PolarHBondContact O-N 3.09Å; V385-C492 VanDerWaalsContact O-O 3.1Å
493Y84Confident90.2Very high17 Ų1735.5 Ų35.57%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-109.6154.6166.857.4-99.9000111.1V254 H378 S383 Y465 Y495V254-Y493 HydrophobicContact CB-CE1 4.23Å; V254-Y493 HydrophobicContact CG1-CD1 3.59Å; V254-Y493 HydrophobicContact CG1-CE1 3.44Å; V254-Y493 VanDerWaalsContact CG1-CE1 3.44Å; H378-Y493 HydrophobicContact CB-CD1 4.23Å; H378-Y493 HydrophobicContact CB-CD2 4.24Å; H378-Y493 HydrophobicContact CB-CE1 4.22Å; H378-Y493 HydrophobicContact CB-CE2 4.23Å; H378-Y493 HydrophobicContact CB-CG 4.26Å; S383-Y493 CarbonylContact O-C 3.48Å; S383-Y493 WeakPolarHBondContact O-CA 3.4Å; S383-Y493 WeakPolarHBondContact O-CB 3.3Å; Y465-Y493 WeakPolarHBondContact OH-CB 3.25Å; Y493-Y495 HydrophobicContact CD2-CE2 4.39Å; Y493-Y495 HydrophobicContact CE2-CE1 4.26Å; Y493-Y495 AromaticContact CE2-CE2 3.99Å; Y493-Y495 HydrophobicContact CE2-CE2 3.99Å; Y493-Y495 AromaticContact CE2-CZ 3.63Å; Y493-Y495 WeakPolarHBondContact CE2-OH 3.36Å
494T77.9Confident90.3Very high45 Ų4532.2 Ų32.228%0.27616%0.162SC..EExtended strand (participates in β ladder)trans-111.6163174.568.50000110.8G381 T382 S383 V385G381-T494 CarbonylContact C-O 3.5Å; G381-T494 VanDerWaalsContact CA-O 3.24Å; G381-T494 WeakPolarHBondContact CA-O 3.38Å; T382-T494 PolarHBondContact N-O 3.31Å; T382-T494 PolarHBondContact OG1-O 3.08Å; S383-T494 WeakPolarHBondContact CB-OG1 3.41Å; S383-T494 PolarHBondContact O-N 2.77Å; S383-T494 PolarHBondContact OG-OG1 2.96Å; V385-T494 HydrophobicContact CG2-CG2 3.81Å
495Y75.8Confident90.1Very high121 Ų12132 Ų3248%0.47516%0.156SC..  trans-108.10174.9-58.3-92.1000109.3I257 S380 T382 Y493I257-Y495 PolarHBondContact O-OH 3.14Å; S380-Y495 WeakPolarHBondContact O-CD1 3.42Å; T382-Y495 WeakPolarHBondContact CB-OXT 3.09Å; T382-Y495 WeakPolarHBondContact CG2-OXT 3.45Å; T382-Y495 PolarHBondContact OG1-OXT 3.17Å; Y493-Y495 HydrophobicContact CD2-CE2 4.39Å; Y493-Y495 HydrophobicContact CE2-CE1 4.26Å; Y493-Y495 AromaticContact CE2-CE2 3.99Å; Y493-Y495 HydrophobicContact CE2-CE2 3.99Å; Y493-Y495 AromaticContact CE2-CZ 3.63Å; Y493-Y495 WeakPolarHBondContact CE2-OH 3.36Å

Retrieved 495 of 495 residues in 134.1 ms (Link to these results)

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