A0A077Z8K7_TRITR Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z8K7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M61.3Low66.5Low185 Ų185101.7 Ų101.791%0.91157%0.573SS**  0-400-143.5159.172.300110.5C3 I4 I5M1-C3 PolarHBondContact O-N 2.79Å; M1-I4 PolarHBondContact O-N 3.05Å; M1-I5 PolarHBondContact O-N 3.43Å
2D63.9Low65.5Low128 Ų128105.4 Ų105.468%0.68458%0.579SS**Hα-helixtrans-54.6-49178-57.5-25.9000114.1I4 I5 T6D2-I4 VanDerWaalsContact C-N 3.29Å; D2-I4 PolarHBondContact O-N 2.97Å; D2-I5 PolarHBondContact O-N 3.41Å; D2-I5 VanDerWaalsContact O-N 3.14Å; D2-T6 PolarHBondContact O-N 2.83Å; D2-T6 PolarHBondContact O-OG1 2.75Å
3C70.6Confident64.6Low94 Ų94107.4 Ų107.464%0.63559%0.586SS**Hα-helixtrans-57.1-37.1178-800000114.2M1 T6 I7M1-C3 PolarHBondContact O-N 2.79Å; C3-T6 PolarHBondContact O-N 2.95Å; C3-I7 WeakPolarHBondContact O-CB 3.46Å; C3-I7 WeakPolarHBondContact O-CD1 3.49Å; C3-I7 WeakPolarHBondContact O-CG1 3.12Å; C3-I7 PolarHBondContact O-N 3.3Å
4I74.4Confident63.4Low127 Ų127107.9 Ų107.965%0.65159%0.587SS**Hα-helixtrans-70.8-39.4-178.6-63.7174.2000109.8M1 D2 I7 A8M1-I4 PolarHBondContact O-N 3.05Å; D2-I4 VanDerWaalsContact C-N 3.29Å; D2-I4 PolarHBondContact O-N 2.97Å; I4-I7 PolarHBondContact O-N 3.18Å; I4-A8 VanDerWaalsContact O-CB 3.27Å; I4-A8 WeakPolarHBondContact O-CB 3.48Å; I4-A8 PolarHBondContact O-N 3.46Å
5I73.7Confident62.5Low86 Ų86109.5 Ų109.544%0.44159%0.589SS.*Hα-helixtrans-66.4-42.3175.2-65.2166.8000110.1M1 D2 I7 A8 I9M1-I5 PolarHBondContact O-N 3.43Å; D2-I5 PolarHBondContact O-N 3.41Å; D2-I5 VanDerWaalsContact O-N 3.14Å; I5-I7 PolarHBondContact O-N 3.37Å; I5-A8 PolarHBondContact O-N 3.28Å; I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.34Å; I5-I9 WeakPolarHBondContact O-CB 3.37Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.16Å; I5-I9 PolarHBondContact O-N 3.46Å
6T71.8Confident62Low92 Ų92110.5 Ų110.556%0.56459%0.592SS**Hα-helixtrans-63.9-41.9177.3-25.10000111.8D2 C3 A10D2-T6 PolarHBondContact O-N 2.83Å; D2-T6 PolarHBondContact O-OG1 2.75Å; C3-T6 PolarHBondContact O-N 2.95Å; T6-A10 VanDerWaalsContact O-CB 3.23Å; T6-A10 WeakPolarHBondContact O-CB 3.46Å; T6-A10 PolarHBondContact O-N 3.19Å
7I71.5Confident61.9Low100 Ų100109.8 Ų109.851%0.51359%0.592SS.*Hα-helixtrans-67.6-42.1177.3-68.9164.9000110.9C3 I4 I5 A10 L11C3-I7 WeakPolarHBondContact O-CB 3.46Å; C3-I7 WeakPolarHBondContact O-CD1 3.49Å; C3-I7 WeakPolarHBondContact O-CG1 3.12Å; C3-I7 PolarHBondContact O-N 3.3Å; I4-I7 PolarHBondContact O-N 3.18Å; I5-I7 PolarHBondContact O-N 3.37Å; I7-A10 PolarHBondContact O-N 3.37Å; I7-L11 HydrophobicContact CG2-CD1 3.71Å; I7-L11 HydrophobicContact CG2-CG 4.24Å; I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 VanDerWaalsContact O-CG 3.24Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.48Å
8A64.6Low62.6Low54 Ų54108.9 Ų108.945%0.44658%0.584SS.*Hα-helixtrans-65.8-41.7177.900000112I4 I5 L11 F12I4-A8 VanDerWaalsContact O-CB 3.27Å; I4-A8 WeakPolarHBondContact O-CB 3.48Å; I4-A8 PolarHBondContact O-N 3.46Å; I5-A8 PolarHBondContact O-N 3.28Å; A8-L11 PolarHBondContact O-N 3.42Å; A8-F12 WeakPolarHBondContact O-CB 3.37Å; A8-F12 PolarHBondContact O-N 3.49Å
9I66.4Low63.7Low94 Ų94106 Ų10648%0.48258%0.577SS.*Hα-helixtrans-64.3-43.4173.1-68.5170.1000110.1I5 L11 F12 I13I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.34Å; I5-I9 WeakPolarHBondContact O-CB 3.37Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.16Å; I5-I9 PolarHBondContact O-N 3.46Å; I9-L11 PolarHBondContact O-N 3.5Å; I9-F12 PolarHBondContact O-N 3.49Å; I9-I13 HydrophobicContact CG2-CD1 3.54Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CB 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 3.46Å
10A58.4Low64.9Low47 Ų47105.1 Ų105.139%0.38857%0.567SS.*Hα-helixtrans-61.5-41.7175.300000111.9T6 I7 I13 L14T6-A10 VanDerWaalsContact O-CB 3.23Å; T6-A10 WeakPolarHBondContact O-CB 3.46Å; T6-A10 PolarHBondContact O-N 3.19Å; I7-A10 PolarHBondContact O-N 3.37Å; A10-I13 PolarHBondContact O-N 2.67Å; A10-L14 VanDerWaalsContact O-CB 3.22Å; A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CD1 3.48Å; A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.38Å
11L54.7Low66.3Low112 Ų112108.8 Ų108.859%0.58658%0.578SS**Hα-helixtrans-69.3-32.9177-74169.9000112.8I7 A8 I9 L14 Q15I7-L11 HydrophobicContact CG2-CD1 3.71Å; I7-L11 HydrophobicContact CG2-CG 4.24Å; I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 VanDerWaalsContact O-CG 3.24Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.48Å; A8-L11 PolarHBondContact O-N 3.42Å; I9-L11 PolarHBondContact O-N 3.5Å; L11-L14 HydrophobicContact CD2-CD1 4.29Å; L11-L14 CarbonylContact O-C 3.55Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-Q15 PolarHBondContact O-N 3.12Å
12F54.4Low67.8Low146 Ų146101.6 Ų101.664%0.6454%0.542SS*.Hα-helixtrans-77.3-34175.1-153.3-91.3000111.9A8 I9 L14 Q15A8-F12 WeakPolarHBondContact O-CB 3.37Å; A8-F12 PolarHBondContact O-N 3.49Å; I9-F12 PolarHBondContact O-N 3.49Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-Q15 VanDerWaalsContact O-CB 3.26Å; F12-Q15 WeakPolarHBondContact O-CB 3.27Å; F12-Q15 VanDerWaalsContact O-CG 3.32Å; F12-Q15 WeakPolarHBondContact O-CG 3.35Å; F12-Q15 PolarHBondContact O-N 2.79Å
13I54.6Low69.3Low131 Ų13199.8 Ų99.867%0.67253%0.532SS*.Hα-helixtrans-69.5-31.4168.8-67.4169.4000110.6I9 A10 Q15I9-I13 HydrophobicContact CG2-CD1 3.54Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CB 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 3.46Å; A10-I13 PolarHBondContact O-N 2.67Å; I13-Q15 PolarHBondContact O-N 2.99Å
14L47Very low70.3Confident114 Ų11496.8 Ų96.860%0.59751%0.509SS*.THydrogen-bonded Turntrans-73.614.3166.5-74.2162.2000112.6A10 L11 F12 I16A10-L14 VanDerWaalsContact O-CB 3.22Å; A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CD1 3.48Å; A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.38Å; L11-L14 HydrophobicContact CD2-CD1 4.29Å; L11-L14 CarbonylContact O-C 3.55Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.1Å; F12-L14 VanDerWaalsContact C-N 3.3Å; L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 VanDerWaalsContact O-CA 3.25Å; L14-I16 WeakPolarHBondContact O-CA 3.47Å; L14-I16 VanDerWaalsContact O-CG1 3.29Å; L14-I16 WeakPolarHBondContact O-CG1 3.29Å; L14-I16 PolarHBondContact O-N 3.22Å
15Q50.9Low71Confident132 Ų13296.7 Ų96.762%0.61751%0.507SS*.SBendtrans-47.8109.6154.1-91.6-169.9-7.900107.2L11 F12 I13 V17L11-Q15 PolarHBondContact O-N 3.12Å; F12-Q15 VanDerWaalsContact O-CB 3.26Å; F12-Q15 WeakPolarHBondContact O-CB 3.27Å; F12-Q15 VanDerWaalsContact O-CG 3.32Å; F12-Q15 WeakPolarHBondContact O-CG 3.35Å; F12-Q15 PolarHBondContact O-N 2.79Å; I13-Q15 PolarHBondContact O-N 2.99Å; Q15-V17 PolarHBondContact O-N 3.18Å
16I54.3Low71.5Confident126 Ų12693.1 Ų93.165%0.64649%0.489SS*.  trans-63.2106-149-59.8159.4000108.5L14 E18L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 VanDerWaalsContact O-CA 3.25Å; L14-I16 WeakPolarHBondContact O-CA 3.47Å; L14-I16 VanDerWaalsContact O-CG1 3.29Å; L14-I16 WeakPolarHBondContact O-CG1 3.29Å; L14-I16 PolarHBondContact O-N 3.22Å; I16-E18 HydrophobicContact CG2-CB 3.77Å; I16-E18 HydrophobicContact CG2-CG 3.7Å; I16-E18 PolarHBondContact O-N 3.32Å
17V59.8Low71.7Confident98 Ų9893.9 Ų93.959%0.59451%0.505SS*.  trans-67.785.3158.7-179.40000105.2Q15 A19 D47Q15-V17 PolarHBondContact O-N 3.18Å; V17-A19 PolarHBondContact O-N 3.27Å; V17-D47 WeakPolarHBondContact CG1-O 2.86Å
18E74.6Confident71.9Confident94 Ų9493.5 Ų93.544%0.43950%0.502SS..  trans-7671.3-178.3-138.8-169.6-119.200108.6I16 K20 R303I16-E18 HydrophobicContact CG2-CB 3.77Å; I16-E18 HydrophobicContact CG2-CG 3.7Å; I16-E18 PolarHBondContact O-N 3.32Å; E18-K20 PolarHBondContact O-N 3.29Å; E18-K20 IonicContact OE2-NZ 3.06Å; E18-K20 PolarHBondContact OE2-NZ 3.02Å; E18-R303 WeakPolarHBondContact O-CD 3.19Å
19A83.8Confident72.5Confident54 Ų5492.4 Ų92.445%0.44649%0.493SS..PPolyproline II helixtrans-54.9132.3179.600000110.3V17 G48V17-A19 PolarHBondContact O-N 3.27Å; A19-G48 WeakPolarHBondContact CB-O 3.13Å
20K88.2Confident73.1Confident88 Ų8888 Ų8838%0.38347%0.471SS..PPolyproline II helixtrans-102.8150.3173.6-56-61177.2-169.10110.4E18 I22 H49 N50 R303E18-K20 PolarHBondContact O-N 3.29Å; E18-K20 IonicContact OE2-NZ 3.06Å; E18-K20 PolarHBondContact OE2-NZ 3.02Å; K20-I22 HydrophobicContact CB-CG1 4.31Å; K20-H49 PolarHBondContact N-ND1 3.27Å; K20-H49 PolarHBondContact O-ND1 3.28Å; K20-N50 PolarHBondContact O-N 2.89Å; K20-R303 HydrophobicContact CG-CG 4.16Å
21K92.6Very high74.2Confident183 Ų18386.9 Ų86.980%0.79646%0.459SS*.EExtended strand (participates in β ladder)trans-80.5121163.3-64.2-178.7179.8-178.20107.9N50K21-N50 CarbonylContact C-O 3.57Å; K21-N50 WeakPolarHBondContact CA-O 3.37Å; K21-N50 HydrophobicContact CG-CB 4.19Å
22I93.7Very high75.5Confident33 Ų3383 Ų8317%0.16944%0.442CS..EExtended strand (participates in β ladder)trans-121.5125.5-178.7-57.4175.5000107.7K20 F24 L44 H49 N50 I51 S52 I299K20-I22 HydrophobicContact CB-CG1 4.31Å; I22-F24 HydrophobicContact CG2-CE2 4.21Å; I22-F24 HydrophobicContact CG2-CZ 4.49Å; I22-L44 HydrophobicContact CD1-CD1 4.16Å; I22-H49 HydrophobicContact CD1-CB 4.16Å; I22-N50 PolarHBondContact N-O 2.7Å; I22-I51 HydrophobicContact CB-CD1 3.72Å; I22-I51 HydrophobicContact CD1-CD1 3.93Å; I22-I51 HydrophobicContact CG1-CD1 4.17Å; I22-I51 HydrophobicContact CG2-CD1 4.4Å; I22-S52 PolarHBondContact O-N 3.02Å; I22-I299 HydrophobicContact CD1-CG2 3.75Å
23L94.6Very high76.9Confident90 Ų9078 Ų7847%0.47142%0.42SS..EExtended strand (participates in β ladder)trans-106.2117.6175-177.266.9000109.2M25 S52 V54 I72L23-M25 HydrophobicContact CD2-CG 3.96Å; L23-M25 HydrophobicContact CD2-SD 4.06Å; L23-M25 HydrophobicContact CG-CG 4.01Å; L23-S52 CarbonylContact C-O 3.6Å; L23-S52 WeakPolarHBondContact CA-O 3.28Å; L23-V54 HydrophobicContact CD1-CG2 3.77Å; L23-V54 HydrophobicContact CD2-CG2 4.28Å; L23-V54 HydrophobicContact CG-CG2 4.19Å; L23-I72 HydrophobicContact CD1-CD1 3.97Å
24F93Very high78.5Confident31 Ų3171.8 Ų71.814%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-84.2123.8167.3-74.3-78.5000109.9I22 I37 L40 A41 L44 I51 S52 V53 V54I22-F24 HydrophobicContact CG2-CE2 4.21Å; I22-F24 HydrophobicContact CG2-CZ 4.49Å; F24-I37 HydrophobicContact CB-CG2 4.09Å; F24-I37 HydrophobicContact CD1-CG2 3.4Å; F24-I37 VanDerWaalsContact CD1-CG2 3.4Å; F24-I37 HydrophobicContact CD2-CG2 4.01Å; F24-I37 HydrophobicContact CE1-CG2 3.72Å; F24-I37 HydrophobicContact CE2-CG2 4.28Å; F24-I37 HydrophobicContact CG-CG2 3.56Å; F24-I37 HydrophobicContact CZ-CG2 4.15Å; F24-L40 HydrophobicContact CE1-CD2 4.08Å; F24-L40 HydrophobicContact CZ-CD2 4.07Å; F24-L40 HydrophobicContact CZ-CG 4.08Å; F24-A41 HydrophobicContact CD2-CB 4.24Å; F24-A41 HydrophobicContact CE2-CB 3.92Å; F24-L44 HydrophobicContact CE2-CD1 4.05Å; F24-L44 HydrophobicContact CZ-CD1 3.7Å; F24-I51 HydrophobicContact CD2-CG2 3.76Å; F24-I51 HydrophobicContact CE2-CG2 3.78Å; F24-S52 PolarHBondContact N-O 3.17Å; F24-V53 HydrophobicContact CB-CB 4.46Å; F24-V53 HydrophobicContact CB-CG1 4.36Å; F24-V53 HydrophobicContact CB-CG2 4.05Å; F24-V53 HydrophobicContact CD2-CG2 4.15Å; F24-V53 HydrophobicContact CG-CG2 4.5Å; F24-V54 PolarHBondContact O-N 2.94Å
25M88.7Confident80.5Confident125 Ų12572 Ų7262%0.61639%0.385SS*.  trans-115.8106.1173.6-63.9-178.46800108.6L23 V54L23-M25 HydrophobicContact CD2-CG 3.96Å; L23-M25 HydrophobicContact CD2-SD 4.06Å; L23-M25 HydrophobicContact CG-CG 4.01Å; M25-V54 HydrophobicContact CG-CG2 4.08Å
26P83.7Confident82.2Confident11 Ų1167.1 Ų67.17%0.07137%0.365CS..  trans-70.1142.517732.3-36.8000110M28 H33 I34 I37 V54 Y56P26-M28 PolarHBondContact O-N 3Å; P26-H33 HydrophobicContact CB-CB 4.49Å; P26-I34 HydrophobicContact CB-CD1 4.1Å; P26-I34 HydrophobicContact CG-CD1 3.66Å; P26-I37 HydrophobicContact CB-CD1 4.49Å; P26-V54 WeakPolarHBondContact CD-O 3.11Å; P26-V54 VanDerWaalsContact CG-O 3.23Å; P26-V54 WeakPolarHBondContact CG-O 3.42Å; P26-Y56 HydrophobicContact CG-CD2 4.08Å; P26-Y56 HydrophobicContact CG-CE2 4.22Å
27A77Confident83.8Confident109 Ų10962.9 Ų62.990%0.90134%0.343SS*.SBendtrans-72.5-15.5175.500000113.4
28M75.2Confident85.4Confident92 Ų9258.5 Ų58.545%0.45332%0.316SS..SBendtrans-135.8139.2-176.4-78.6-170.6-91.600111.7P26 A30 H33P26-M28 PolarHBondContact O-N 3Å; M28-A30 VanDerWaalsContact C-N 3.35Å; M28-A30 PolarHBondContact O-N 3.13Å; M28-H33 VanDerWaalsContact CE-CE1 3.41Å; M28-H33 WeakPolarHBondContact CE-CE1 3.34Å; M28-H33 WeakPolarHBondContact CE-NE2 3.21Å
29A76.1Confident86.2Confident30 Ų3056.4 Ų56.425%0.24831%0.311CS..  trans-79.174.9173.800000111.3Y56A29-Y56 HydrophobicContact CB-CG 4.26Å
30A78.8Confident86.6Confident3 Ų355 Ų553%0.02530%0.296CS..  trans-145.7139.3169.800000111.7M28 S32 H33 I34 H150 F151M28-A30 VanDerWaalsContact C-N 3.35Å; M28-A30 PolarHBondContact O-N 3.13Å; A30-S32 PolarHBondContact O-N 2.97Å; A30-S32 VanDerWaalsContact O-N 3.09Å; A30-H33 WeakPolarHBondContact O-CB 3.33Å; A30-H33 PolarHBondContact O-N 3.5Å; A30-I34 PolarHBondContact O-N 3.47Å; A30-H150 HydrophobicContact CB-CB 4.46Å; A30-F151 HydrophobicContact CB-CE2 4.27Å; A30-F151 HydrophobicContact CB-CZ 4Å
31P82.9Confident86.9Confident22 Ų2250.8 Ų50.814%0.14328%0.278CS..Hα-helixtrans-52.1-34.8177.4-27.630.8000114.2H33 I34 K35 E62 M64 H150P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 2.86Å; P31-I34 PolarHBondContact O-N 2.88Å; P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 2.82Å; P31-E62 HydrophobicContact CG-CB 3.89Å; P31-E62 HydrophobicContact CG-CG 4.13Å; P31-M64 HydrophobicContact CB-SD 4.37Å; P31-H150 WeakPolarHBondContact CB-NE2 3.44Å; P31-H150 WeakPolarHBondContact CD-NE2 3.26Å
32S82.5Confident87Confident30 Ų3047 Ų4721%0.2126%0.258CS..Hα-helixtrans-59.9-36174.757.40000113.5A30 S36 H150 K213A30-S32 PolarHBondContact O-N 2.97Å; A30-S32 VanDerWaalsContact O-N 3.09Å; S32-S36 PolarHBondContact O-N 3.25Å; S32-S36 PolarHBondContact O-OG 3.38Å; S32-H150 WeakPolarHBondContact CB-CE1 3.48Å; S32-H150 WeakPolarHBondContact CB-ND1 3.34Å; S32-H150 PolarHBondContact N-CE1 2.81Å; S32-H150 PolarHBondContact N-NE2 2.84Å; S32-H150 PolarHBondContact OG-ND1 2.96Å; S32-K213 PolarHBondContact O-NZ 3.24Å
33H83.4Confident87Confident41 Ų4145.8 Ų45.819%0.1925%0.254CS..Hα-helixtrans-68.1-37.1177.4-69.898.8000112.6P26 M28 A30 P31 S36 K213P26-H33 HydrophobicContact CB-CB 4.49Å; M28-H33 VanDerWaalsContact CE-CE1 3.41Å; M28-H33 WeakPolarHBondContact CE-CE1 3.34Å; M28-H33 WeakPolarHBondContact CE-NE2 3.21Å; A30-H33 WeakPolarHBondContact O-CB 3.33Å; A30-H33 PolarHBondContact O-N 3.5Å; P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 2.86Å; H33-S36 PolarHBondContact O-OG 3Å; H33-K213 PolarHBondContact CD2-NZ 3.46Å
34I88.5Confident87Confident2 Ų241.5 Ų41.51%0.0123%0.231CC..Hα-helixtrans-66.4-53172.3-53.5-55.1000109.9P26 A30 P31 S36 I37 L38 V53 Q55 M64 F71P26-I34 HydrophobicContact CB-CD1 4.1Å; P26-I34 HydrophobicContact CG-CD1 3.66Å; A30-I34 PolarHBondContact O-N 3.47Å; P31-I34 PolarHBondContact O-N 2.88Å; I34-S36 PolarHBondContact O-N 3.36Å; I34-S36 VanDerWaalsContact O-N 3.12Å; I34-I37 PolarHBondContact O-N 2.81Å; I34-L38 HydrophobicContact CG2-CD2 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.23Å; I34-L38 PolarHBondContact O-N 3.41Å; I34-V53 HydrophobicContact CD1-CG1 4.23Å; I34-V53 HydrophobicContact CG2-CG1 4.31Å; I34-Q55 HydrophobicContact CD1-CB 4.11Å; I34-Q55 HydrophobicContact CD1-CG 4.23Å; I34-Q55 HydrophobicContact CG1-CB 4.33Å; I34-Q55 HydrophobicContact CG1-CG 3.98Å; I34-M64 HydrophobicContact CB-SD 3.7Å; I34-M64 HydrophobicContact CG2-CB 4.44Å; I34-M64 HydrophobicContact CG2-CG 4.45Å; I34-M64 HydrophobicContact CG2-SD 3.62Å; I34-F71 HydrophobicContact CG2-CE1 3.63Å; I34-F71 HydrophobicContact CG2-CZ 4.32Å
35K87.4Confident87Confident119 Ų11943.9 Ų43.952%0.51724%0.239SC..Hα-helixtrans-54.1-36.7-177.6-170176-179.1178.90113.2P31 I37 P39 M64P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 2.82Å; K35-I37 VanDerWaalsContact C-N 3.32Å; K35-I37 PolarHBondContact O-N 2.79Å; K35-P39 WeakPolarHBondContact O-CD 3.18Å; K35-M64 HydrophobicContact CB-CE 4.01Å; K35-M64 HydrophobicContact CB-SD 4.34Å; K35-M64 HydrophobicContact CG-CE 4.32Å
36S87Confident87.2Confident29 Ų2946.2 Ų46.220%0.20325%0.246CC..Hα-helixtrans-69.7-24.4178.450.60000114.6S32 H33 I34 K213S32-S36 PolarHBondContact O-N 3.25Å; S32-S36 PolarHBondContact O-OG 3.38Å; H33-S36 PolarHBondContact O-OG 3Å; I34-S36 PolarHBondContact O-N 3.36Å; I34-S36 VanDerWaalsContact O-N 3.12Å; S36-K213 VanDerWaalsContact OG-CE 3.29Å; S36-K213 WeakPolarHBondContact OG-CE 3.48Å; S36-K213 PolarHBondContact OG-NZ 2.82Å
37I89.5Confident87.6Confident36 Ų3648 Ų4819%0.18526%0.255CS..Hα-helixtrans-87.7-26.8-179-65.8168.3000111F24 P26 I34 K35 P39 L40 A41F24-I37 HydrophobicContact CB-CG2 4.09Å; F24-I37 HydrophobicContact CD1-CG2 3.4Å; F24-I37 VanDerWaalsContact CD1-CG2 3.4Å; F24-I37 HydrophobicContact CD2-CG2 4.01Å; F24-I37 HydrophobicContact CE1-CG2 3.72Å; F24-I37 HydrophobicContact CE2-CG2 4.28Å; F24-I37 HydrophobicContact CG-CG2 3.56Å; F24-I37 HydrophobicContact CZ-CG2 4.15Å; P26-I37 HydrophobicContact CB-CD1 4.49Å; I34-I37 PolarHBondContact O-N 2.81Å; K35-I37 VanDerWaalsContact C-N 3.32Å; K35-I37 PolarHBondContact O-N 2.79Å; I37-P39 VanDerWaalsContact C-CD 3.47Å; I37-L40 PolarHBondContact O-N 3.11Å; I37-A41 PolarHBondContact O-N 3.47Å
38L91.5Very high88.3Confident6 Ų644.7 Ų44.73%0.03123%0.232CC..Hα-helixtrans-53.8-40.3-174.9-62.4-178.8000115.1I34 L40 A41 R42 M64 F71I34-L38 HydrophobicContact CG2-CD2 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.23Å; I34-L38 PolarHBondContact O-N 3.41Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-R42 WeakPolarHBondContact O-CB 3.34Å; L38-R42 VanDerWaalsContact O-CG 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.2Å; L38-R42 PolarHBondContact O-N 3.37Å; L38-M64 HydrophobicContact CD1-CE 3.73Å; L38-F71 HydrophobicContact CD2-CE1 4.34Å; L38-F71 HydrophobicContact CD2-CZ 3.75Å
39P92Very high89.2Confident50 Ų5040.4 Ų40.433%0.32521%0.21SC..Hα-helixtrans-56.9-45.3175.3-26.536.1000112.8K35 I37 A43 T292K35-P39 WeakPolarHBondContact O-CD 3.18Å; I37-P39 VanDerWaalsContact C-CD 3.47Å; P39-A43 WeakPolarHBondContact O-CB 3.48Å; P39-A43 PolarHBondContact O-N 2.6Å; P39-T292 HydrophobicContact CB-CG2 4.07Å
40L93.2Very high90.1Very high25 Ų2541.7 Ų41.713%0.13121%0.213CC..Hα-helixtrans-68.6-42.5177.3176.960.5000111.4F24 I37 L38 R42 A43 L44 T292 R296 I299F24-L40 HydrophobicContact CE1-CD2 4.08Å; F24-L40 HydrophobicContact CZ-CD2 4.07Å; F24-L40 HydrophobicContact CZ-CG 4.08Å; I37-L40 PolarHBondContact O-N 3.11Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.21Å; L40-R42 PolarHBondContact O-N 2.98Å; L40-A43 PolarHBondContact O-N 3.42Å; L40-L44 HydrophobicContact CD1-CD1 4.11Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 2.92Å; L40-T292 HydrophobicContact CB-CG2 4.45Å; L40-R296 HydrophobicContact CD1-CB 4.34Å; L40-R296 VanDerWaalsContact CD1-N 3.34Å; L40-I299 HydrophobicContact CD1-CD1 4.44Å; L40-I299 HydrophobicContact CD2-CD1 4.2Å
41A94.5Very high90.9Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-57.2-49176.600000111.5F24 I37 L38 A43 L44 R45 I51 I69F24-A41 HydrophobicContact CD2-CB 4.24Å; F24-A41 HydrophobicContact CE2-CB 3.92Å; I37-A41 PolarHBondContact O-N 3.47Å; L38-A41 PolarHBondContact O-N 2.94Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.38Å; A41-L44 PolarHBondContact O-N 3.13Å; A41-R45 WeakPolarHBondContact O-CB 3.48Å; A41-R45 PolarHBondContact O-N 3.38Å; A41-I51 HydrophobicContact CB-CG2 3.87Å; A41-I69 HydrophobicContact CB-CD1 3.82Å; A41-I69 HydrophobicContact CB-CG1 4.3Å
42R94.3Very high91.5Very high102 Ų10241.9 Ų41.939%0.38521%0.214SC..Hα-helixtrans-63.6-39.4176-68.1171.9-169.6151.9-0.3112.1L38 L40 R45 K46 D66 I69L38-R42 WeakPolarHBondContact O-CB 3.34Å; L38-R42 VanDerWaalsContact O-CG 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.2Å; L38-R42 PolarHBondContact O-N 3.37Å; L40-R42 PolarHBondContact O-N 2.98Å; R42-R45 PolarHBondContact O-N 3.48Å; R42-K46 WeakPolarHBondContact O-CG 2.93Å; R42-K46 PolarHBondContact O-N 3.45Å; R42-K46 VanDerWaalsContact O-N 3.08Å; R42-D66 IonicContact CZ-OD2 3.54Å; R42-D66 IonicContact NE-OD1 2.68Å; R42-D66 IonicContact NE-OD2 3.04Å; R42-D66 PolarHBondContact NE-OD2 3.22Å; R42-D66 IonicContact NH2-OD2 2.65Å; R42-D66 PolarHBondContact NH2-OD2 2.99Å; R42-I69 HydrophobicContact CG-CD1 4.48Å; R42-I69 HydrophobicContact CG-CG1 4.38Å
43A93.8Very high92.1Very high9 Ų940.4 Ų40.47%0.07420%0.204CC..Hα-helixtrans-62.8-42.8177.800000111.8P39 L40 A41 K46 D47 T292P39-A43 WeakPolarHBondContact O-CB 3.48Å; P39-A43 PolarHBondContact O-N 2.6Å; L40-A43 PolarHBondContact O-N 3.42Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.38Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.19Å; A43-D47 PolarHBondContact O-N 3.05Å; A43-T292 HydrophobicContact CB-CG2 3.97Å
44L94.3Very high92.6Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-70.3-36.8175.6-66.6165.4000112.5I22 F24 L40 A41 K46 D47 H49 I51 R296 I299I22-L44 HydrophobicContact CD1-CD1 4.16Å; F24-L44 HydrophobicContact CE2-CD1 4.05Å; F24-L44 HydrophobicContact CZ-CD1 3.7Å; L40-L44 HydrophobicContact CD1-CD1 4.11Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 2.92Å; A41-L44 PolarHBondContact O-N 3.13Å; L44-K46 PolarHBondContact O-N 3.25Å; L44-D47 WeakPolarHBondContact O-CA 2.92Å; L44-D47 WeakPolarHBondContact O-CB 3.03Å; L44-D47 PolarHBondContact O-N 2.93Å; L44-H49 HydrophobicContact CB-CB 4.38Å; L44-H49 WeakPolarHBondContact O-CB 3.3Å; L44-H49 PolarHBondContact O-CD2 2.71Å; L44-H49 VanDerWaalsContact O-CD2 3.31Å; L44-H49 PolarHBondContact O-N 2.68Å; L44-I51 HydrophobicContact CB-CD1 3.71Å; L44-I51 HydrophobicContact CB-CG1 4.23Å; L44-I51 HydrophobicContact CD1-CD1 4.33Å; L44-R296 HydrophobicContact CD2-CG 4.16Å; L44-I299 HydrophobicContact CD1-CD1 3.61Å; L44-I299 HydrophobicContact CD1-CG2 4.34Å; L44-I299 HydrophobicContact CD2-CB 3.94Å; L44-I299 HydrophobicContact CD2-CD1 4.23Å; L44-I299 HydrophobicContact CD2-CG2 3.62Å; L44-I299 HydrophobicContact CG-CD1 4.48Å
45R93.8Very high92.8Very high80 Ų8038.9 Ų38.930%0.30220%0.198SC..Hα-helixtrans-58.3-39174.5-175.560.8154.7-173.8-11111.4A41 R42 D47 G48 H49 N50 I51 D68 I69A41-R45 WeakPolarHBondContact O-CB 3.48Å; A41-R45 PolarHBondContact O-N 3.38Å; R42-R45 PolarHBondContact O-N 3.48Å; R45-D47 VanDerWaalsContact C-N 3.27Å; R45-D47 PolarHBondContact O-N 2.96Å; R45-G48 WeakPolarHBondContact O-CA 3.3Å; R45-G48 PolarHBondContact O-N 3.36Å; R45-H49 WeakPolarHBondContact CD-O 3.11Å; R45-H49 PolarHBondContact NH1-O 2.86Å; R45-N50 PolarHBondContact NH1-OD1 3.45Å; R45-I51 HydrophobicContact CB-CG1 4.04Å; R45-D68 WeakPolarHBondContact CD-O 3.24Å; R45-D68 HydrophobicContact CG-CB 4.18Å; R45-D68 WeakPolarHBondContact CG-O 3.37Å; R45-D68 PolarHBondContact NE-O 2.68Å; R45-D68 PolarHBondContact NH2-O 3.04Å; R45-I69 HydrophobicContact CB-CD1 4.14Å; R45-I69 HydrophobicContact CG-CD1 4.5Å
46K92.8Very high92.9Very high174 Ų17436.4 Ų36.476%0.75719%0.186SC*.Hα-helixtrans-63.8-28.2173.7-71.7176.1-179.3-174.30113.7R42 A43 L44 G48R42-K46 WeakPolarHBondContact O-CG 2.93Å; R42-K46 PolarHBondContact O-N 3.45Å; R42-K46 VanDerWaalsContact O-N 3.08Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.19Å; L44-K46 PolarHBondContact O-N 3.25Å; K46-G48 PolarHBondContact O-N 3.47Å
47D91.6Very high92.8Very high49 Ų4936 Ų3626%0.26218%0.18SC..THydrogen-bonded Turntrans-77.15.9172-61.2-21.6000112.6V17 A43 L44 R45 R296 N300V17-D47 WeakPolarHBondContact CG1-O 2.86Å; A43-D47 PolarHBondContact O-N 3.05Å; L44-D47 WeakPolarHBondContact O-CA 2.92Å; L44-D47 WeakPolarHBondContact O-CB 3.03Å; L44-D47 PolarHBondContact O-N 2.93Å; R45-D47 VanDerWaalsContact C-N 3.27Å; R45-D47 PolarHBondContact O-N 2.96Å; D47-R296 VanDerWaalsContact OD2-CD 3.22Å; D47-R296 WeakPolarHBondContact OD2-CD 3.19Å; D47-R296 WeakPolarHBondContact OD2-CG 3.35Å; D47-N300 PolarHBondContact OD2-ND2 3.16Å
48G92.3Very high92.5Very high40 Ų4035.2 Ų35.241%0.41218%0.179SC..THydrogen-bonded Turntrans891.217900000114.4A19 R45 K46A19-G48 WeakPolarHBondContact CB-O 3.13Å; R45-G48 WeakPolarHBondContact O-CA 3.3Å; R45-G48 PolarHBondContact O-N 3.36Å; K46-G48 PolarHBondContact O-N 3.47Å
49H93.4Very high92Very high2 Ų239 Ų391%0.00920%0.199CC..  trans-64.8148.1178-70-74000112.4K20 I22 L44 R45 I51 N300K20-H49 PolarHBondContact N-ND1 3.27Å; K20-H49 PolarHBondContact O-ND1 3.28Å; I22-H49 HydrophobicContact CD1-CB 4.16Å; L44-H49 HydrophobicContact CB-CB 4.38Å; L44-H49 WeakPolarHBondContact O-CB 3.3Å; L44-H49 PolarHBondContact O-CD2 2.71Å; L44-H49 VanDerWaalsContact O-CD2 3.31Å; L44-H49 PolarHBondContact O-N 2.68Å; R45-H49 WeakPolarHBondContact CD-O 3.11Å; R45-H49 PolarHBondContact NH1-O 2.86Å; H49-I51 HydrophobicContact CB-CD1 3.52Å; H49-I51 HydrophobicContact CB-CG1 4.17Å; H49-N300 PolarHBondContact NE2-OD1 2.83Å
50N93.9Very high91.8Very high57 Ų5741.9 Ų41.931%0.30521%0.208SC..EExtended strand (participates in β ladder)trans-88.9113.2167.3-165.815.2000109.6K20 K21 I22 R45 D70K20-N50 PolarHBondContact O-N 2.89Å; K21-N50 CarbonylContact C-O 3.57Å; K21-N50 WeakPolarHBondContact CA-O 3.37Å; K21-N50 HydrophobicContact CG-CB 4.19Å; I22-N50 PolarHBondContact N-O 2.7Å; R45-N50 PolarHBondContact NH1-OD1 3.45Å; N50-D70 PolarHBondContact OD1-OD2 3.49Å
51I95.6Very high91.4Very high0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-111.7124.3-170.6-52.9-58.9000109.8I22 F24 A41 L44 R45 H49 I69 D70I22-I51 HydrophobicContact CB-CD1 3.72Å; I22-I51 HydrophobicContact CD1-CD1 3.93Å; I22-I51 HydrophobicContact CG1-CD1 4.17Å; I22-I51 HydrophobicContact CG2-CD1 4.4Å; F24-I51 HydrophobicContact CD2-CG2 3.76Å; F24-I51 HydrophobicContact CE2-CG2 3.78Å; A41-I51 HydrophobicContact CB-CG2 3.87Å; L44-I51 HydrophobicContact CB-CD1 3.71Å; L44-I51 HydrophobicContact CB-CG1 4.23Å; L44-I51 HydrophobicContact CD1-CD1 4.33Å; R45-I51 HydrophobicContact CB-CG1 4.04Å; H49-I51 HydrophobicContact CB-CD1 3.52Å; H49-I51 HydrophobicContact CB-CG1 4.17Å; I51-I69 HydrophobicContact CB-CD1 3.97Å; I51-I69 HydrophobicContact CG2-CD1 4Å; I51-I69 HydrophobicContact CG2-CG2 4.28Å; I51-D70 PolarHBondContact O-N 2.79Å
52S95.6Very high90.9Very high28 Ų2848.2 Ų48.220%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-119.4145.6169.2-51.80000110.6I22 L23 F24 D70I22-S52 PolarHBondContact O-N 3.02Å; L23-S52 CarbonylContact C-O 3.6Å; L23-S52 WeakPolarHBondContact CA-O 3.28Å; F24-S52 PolarHBondContact N-O 3.17Å; S52-D70 CarbonylContact C-O 3.57Å; S52-D70 WeakPolarHBondContact CA-O 3.36Å
53V95.4Very high90.6Very high0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-125.1123.1178.4179.70000108.9F24 I34 Q55 I69 D70 F71 I72F24-V53 HydrophobicContact CB-CB 4.46Å; F24-V53 HydrophobicContact CB-CG1 4.36Å; F24-V53 HydrophobicContact CB-CG2 4.05Å; F24-V53 HydrophobicContact CD2-CG2 4.15Å; F24-V53 HydrophobicContact CG-CG2 4.5Å; I34-V53 HydrophobicContact CD1-CG1 4.23Å; I34-V53 HydrophobicContact CG2-CG1 4.31Å; V53-Q55 PolarHBondContact O-N 3.35Å; V53-I69 HydrophobicContact CB-CG2 4.25Å; V53-I69 HydrophobicContact CG2-CG2 3.49Å; V53-I69 VanDerWaalsContact CG2-CG2 3.49Å; V53-D70 PolarHBondContact N-O 3.29Å; V53-F71 HydrophobicContact CB-CD1 4.1Å; V53-F71 HydrophobicContact CB-CE1 4.09Å; V53-F71 HydrophobicContact CG1-CD1 4.31Å; V53-F71 HydrophobicContact CG1-CE1 4.1Å; V53-F71 WeakPolarHBondContact O-CA 3.31Å; V53-I72 PolarHBondContact O-N 2.95Å
54V94Very high90.4Very high10 Ų1047.2 Ų47.26%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-74.8124.8169-177.50000108.4L23 F24 M25 P26 Y56 I72 V74L23-V54 HydrophobicContact CD1-CG2 3.77Å; L23-V54 HydrophobicContact CD2-CG2 4.28Å; L23-V54 HydrophobicContact CG-CG2 4.19Å; F24-V54 PolarHBondContact O-N 2.94Å; M25-V54 HydrophobicContact CG-CG2 4.08Å; P26-V54 WeakPolarHBondContact CD-O 3.11Å; P26-V54 VanDerWaalsContact CG-O 3.23Å; P26-V54 WeakPolarHBondContact CG-O 3.42Å; V54-Y56 HydrophobicContact CG1-CD2 4.39Å; V54-Y56 HydrophobicContact CG1-CE1 4.23Å; V54-Y56 HydrophobicContact CG1-CE2 3.93Å; V54-I72 WeakPolarHBondContact CA-O 3.42Å; V54-V74 HydrophobicContact CG1-CG2 3.9Å
55Q92.8Very high90.1Very high0 Ų054.7 Ų54.70%028%0.28CS..EExtended strand (participates in β ladder)trans-116.8110.4171177.1172.11.700109.8I34 V53 E62 F71 I72 Y73 V74I34-Q55 HydrophobicContact CD1-CB 4.11Å; I34-Q55 HydrophobicContact CD1-CG 4.23Å; I34-Q55 HydrophobicContact CG1-CB 4.33Å; I34-Q55 HydrophobicContact CG1-CG 3.98Å; V53-Q55 PolarHBondContact O-N 3.35Å; Q55-E62 PolarHBondContact NE2-O 3.38Å; Q55-F71 HydrophobicContact CB-CD1 4.22Å; Q55-I72 PolarHBondContact N-O 3.4Å; Q55-Y73 HydrophobicContact CB-CD1 4.12Å; Q55-Y73 HydrophobicContact CB-CE1 4.47Å; Q55-Y73 HydrophobicContact CG-CD1 4.43Å; Q55-Y73 WeakPolarHBondContact O-CA 3.35Å; Q55-V74 PolarHBondContact O-N 3.05Å
56Y89.1Confident90Very high67 Ų6752.3 Ų52.326%0.26327%0.273SS..EExtended strand (participates in β ladder)trans-75.6134.6164.3-56.8-77.8000109.5P26 A29 V54 V74 T76P26-Y56 HydrophobicContact CG-CD2 4.08Å; P26-Y56 HydrophobicContact CG-CE2 4.22Å; A29-Y56 HydrophobicContact CB-CG 4.26Å; V54-Y56 HydrophobicContact CG1-CD2 4.39Å; V54-Y56 HydrophobicContact CG1-CE1 4.23Å; V54-Y56 HydrophobicContact CG1-CE2 3.93Å; Y56-V74 VanDerWaalsContact CA-O 3.29Å; Y56-V74 WeakPolarHBondContact CA-O 3.07Å; Y56-V74 HydrophobicContact CD1-CB 3.73Å; Y56-V74 HydrophobicContact CD1-CG1 3.79Å; Y56-V74 HydrophobicContact CE1-CB 4.03Å; Y56-V74 HydrophobicContact CE1-CG1 3.9Å; Y56-V74 HydrophobicContact CE1-CG2 4.39Å; Y56-T76 HydrophobicContact CD1-CG2 4.1Å; Y56-T76 HydrophobicContact CG-CG2 4.44Å
57Y86.4Confident89.9Confident20 Ų2055.6 Ų55.68%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-145.8146.1-178.576.3-79.2000111.7D59 E60 K63 V74 F75 T76Y57-D59 WeakPolarHBondContact CD2-O 3.28Å; Y57-E60 HydrophobicContact CE2-CG 4.37Å; Y57-E60 WeakPolarHBondContact CE2-OE1 3.14Å; Y57-E60 PolarHBondContact OH-OE1 2.95Å; Y57-K63 HydrophobicContact CD2-CG 4.28Å; Y57-K63 VanDerWaalsContact CE2-CE 3.49Å; Y57-K63 HydrophobicContact CE2-CG 4.47Å; Y57-K63 HydrophobicContact CG-CG 4.34Å; Y57-K63 VanDerWaalsContact OH-CE 3.28Å; Y57-K63 WeakPolarHBondContact OH-CE 3.1Å; Y57-K63 PolarHBondContact OH-NZ 2.86Å; Y57-V74 WeakPolarHBondContact CD1-O 3.46Å; Y57-V74 PolarHBondContact N-O 3.28Å; Y57-F75 HydrophobicContact CD2-CD2 4.13Å; Y57-F75 HydrophobicContact CE1-CB 3.92Å; Y57-F75 HydrophobicContact CE2-CB 4.48Å; Y57-F75 AromaticContact CE2-CD2 3.67Å; Y57-F75 HydrophobicContact CE2-CD2 3.67Å; Y57-F75 HydrophobicContact CE2-CE2 4.44Å; Y57-F75 AromaticContact CZ-CD2 3.9Å; Y57-F75 WeakPolarHBondContact O-CA 3.3Å; Y57-T76 PolarHBondContact O-N 3.19Å; Y57-T76 PolarHBondContact O-OG1 3.44Å
58A81.9Confident89.8Confident20 Ų2057.4 Ų57.417%0.16529%0.292CS..SBendtrans-108.2-23.6177.200000112.5E62 F75 N80A58-E62 PolarHBondContact N-OE2 2.94Å; A58-F75 WeakPolarHBondContact O-CE2 3.11Å; A58-N80 WeakPolarHBondContact CB-OD1 3.27Å
59D82.3Confident89.8Confident86 Ų8655.7 Ų55.746%0.4627%0.273SS..SBendtrans-130.8141.5176.3-173.9-79000110.6Y57 S61 E62Y57-D59 WeakPolarHBondContact CD2-O 3.28Å; D59-S61 PolarHBondContact O-N 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.44Å; D59-S61 PolarHBondContact OD1-N 3.14Å; D59-S61 PolarHBondContact OD1-OG 3.42Å; D59-E62 HydrophobicContact CB-CG 4.19Å; D59-E62 PolarHBondContact N-OE2 2.88Å; D59-E62 VanDerWaalsContact O-CB 3.24Å; D59-E62 WeakPolarHBondContact O-CB 3.19Å; D59-E62 PolarHBondContact O-N 2.87Å
60E87.4Confident89.9Confident110 Ų11059.3 Ų59.351%0.51429%0.292SS..G310 helixtrans-60.2-29.1-177.7-73.1-68.5152.800113Y57 E62 K63Y57-E60 HydrophobicContact CE2-CG 4.37Å; Y57-E60 WeakPolarHBondContact CE2-OE1 3.14Å; Y57-E60 PolarHBondContact OH-OE1 2.95Å; E60-E62 PolarHBondContact O-N 2.7Å; E60-K63 VanDerWaalsContact CD-NZ 3.25Å; E60-K63 WeakPolarHBondContact O-CB 2.79Å; E60-K63 PolarHBondContact O-N 3.26Å; E60-K63 IonicContact OE1-NZ 3.96Å; E60-K63 PolarHBondContact OE1-NZ 3.31Å; E60-K63 VanDerWaalsContact OE2-CD 3.28Å; E60-K63 WeakPolarHBondContact OE2-CD 3.41Å; E60-K63 WeakPolarHBondContact OE2-CE 3.43Å; E60-K63 IonicContact OE2-NZ 3.25Å; E60-K63 PolarHBondContact OE2-NZ 3.43Å
61S83.7Confident90Very high104 Ų10458 Ų5873%0.72728%0.284SS*.G310 helixtrans-67.4-13.8175.167.90000113.9D59D59-S61 PolarHBondContact O-N 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.44Å; D59-S61 PolarHBondContact OD1-N 3.14Å; D59-S61 PolarHBondContact OD1-OG 3.42Å
62E84Confident89.9Confident55 Ų5562 Ų6226%0.25730%0.304SS..G310 helixtrans-80.4-18.8176.6-63.7-178.1151.900112.8P31 Q55 A58 D59 E60 M64P31-E62 HydrophobicContact CG-CB 3.89Å; P31-E62 HydrophobicContact CG-CG 4.13Å; Q55-E62 PolarHBondContact NE2-O 3.38Å; A58-E62 PolarHBondContact N-OE2 2.94Å; D59-E62 HydrophobicContact CB-CG 4.19Å; D59-E62 PolarHBondContact N-OE2 2.88Å; D59-E62 VanDerWaalsContact O-CB 3.24Å; D59-E62 WeakPolarHBondContact O-CB 3.19Å; D59-E62 PolarHBondContact O-N 2.87Å; E60-E62 PolarHBondContact O-N 2.7Å; E62-M64 PolarHBondContact O-N 3.33Å
63K89.5Confident89.8Confident48 Ų4863.9 Ų63.921%0.20931%0.308CS..  trans-57.6124.9-176.9-75.8-174.1175.5163.30110.5Y57 E60 F65 Y73Y57-K63 HydrophobicContact CD2-CG 4.28Å; Y57-K63 VanDerWaalsContact CE2-CE 3.49Å; Y57-K63 HydrophobicContact CE2-CG 4.47Å; Y57-K63 HydrophobicContact CG-CG 4.34Å; Y57-K63 VanDerWaalsContact OH-CE 3.28Å; Y57-K63 WeakPolarHBondContact OH-CE 3.1Å; Y57-K63 PolarHBondContact OH-NZ 2.86Å; E60-K63 VanDerWaalsContact CD-NZ 3.25Å; E60-K63 WeakPolarHBondContact O-CB 2.79Å; E60-K63 PolarHBondContact O-N 3.26Å; E60-K63 IonicContact OE1-NZ 3.96Å; E60-K63 PolarHBondContact OE1-NZ 3.31Å; E60-K63 VanDerWaalsContact OE2-CD 3.28Å; E60-K63 WeakPolarHBondContact OE2-CD 3.41Å; E60-K63 WeakPolarHBondContact OE2-CE 3.43Å; E60-K63 IonicContact OE2-NZ 3.25Å; E60-K63 PolarHBondContact OE2-NZ 3.43Å; K63-F65 HydrophobicContact CB-CE2 3.91Å; K63-F65 HydrophobicContact CB-CZ 4.12Å; K63-F65 HydrophobicContact CD-CZ 4.5Å; K63-Y73 HydrophobicContact CB-CD1 4.42Å; K63-Y73 HydrophobicContact CB-CE1 3.98Å; K63-Y73 HydrophobicContact CD-CD1 4.06Å; K63-Y73 HydrophobicContact CD-CD2 4.45Å; K63-Y73 HydrophobicContact CD-CE1 4.2Å; K63-Y73 HydrophobicContact CD-CG 4.2Å; K63-Y73 HydrophobicContact CG-CD1 3.83Å; K63-Y73 HydrophobicContact CG-CE1 3.9Å; K63-Y73 HydrophobicContact CG-CG 4.44Å
64M87.7Confident89.6Confident41 Ų4166.6 Ų66.620%0.20232%0.324CS..  trans-95149.2173.4-62.3-169.171.500109.6P31 I34 K35 L38 E62 F71 Y73P31-M64 HydrophobicContact CB-SD 4.37Å; I34-M64 HydrophobicContact CB-SD 3.7Å; I34-M64 HydrophobicContact CG2-CB 4.44Å; I34-M64 HydrophobicContact CG2-CG 4.45Å; I34-M64 HydrophobicContact CG2-SD 3.62Å; K35-M64 HydrophobicContact CB-CE 4.01Å; K35-M64 HydrophobicContact CB-SD 4.34Å; K35-M64 HydrophobicContact CG-CE 4.32Å; L38-M64 HydrophobicContact CD1-CE 3.73Å; E62-M64 PolarHBondContact O-N 3.33Å; M64-F71 HydrophobicContact CB-CE1 4.26Å; M64-F71 HydrophobicContact CB-CZ 4.19Å; M64-Y73 PolarHBondContact O-OH 2.98Å
65F89.9Confident89.4Confident158 Ų15870.4 Ų70.469%0.69334%0.34SS*.  trans-129.9145.4175.7-62.8-85.3000109.3K63 Y73K63-F65 HydrophobicContact CB-CE2 3.91Å; K63-F65 HydrophobicContact CB-CZ 4.12Å; K63-F65 HydrophobicContact CD-CZ 4.5Å; F65-Y73 WeakPolarHBondContact CD1-OH 3.29Å; F65-Y73 HydrophobicContact CE1-CE2 4.26Å; F65-Y73 AromaticContact CE1-CZ 3.95Å; F65-Y73 WeakPolarHBondContact CE1-OH 3.29Å
66D91Very high88.8Confident29 Ų2971.9 Ų71.916%0.15535%0.349CS..  trans-148.4133.6175.1-166-68.2000107.5R42 D68 I69 F71R42-D66 IonicContact CZ-OD2 3.54Å; R42-D66 IonicContact NE-OD1 2.68Å; R42-D66 IonicContact NE-OD2 3.04Å; R42-D66 PolarHBondContact NE-OD2 3.22Å; R42-D66 IonicContact NH2-OD2 2.65Å; R42-D66 PolarHBondContact NH2-OD2 2.99Å; D66-D68 PolarHBondContact O-N 3.17Å; D66-D68 PolarHBondContact OD1-N 3.22Å; D66-I69 HydrophobicContact CB-CB 4.04Å; D66-I69 HydrophobicContact CB-CG1 4.2Å; D66-F71 HydrophobicContact CB-CE2 3.65Å; D66-F71 HydrophobicContact CB-CZ 4.29Å
67Y89.5Confident88Confident244 Ų24478.6 Ų78.696%0.95738%0.375SS*.THydrogen-bonded Turntrans-66.7-26.8-176.8-71-78.9000112.8
68D89.9Confident86.8Confident86 Ų8680 Ų8046%0.4640%0.396SS..THydrogen-bonded Turntrans-97.4-11.6-172.9-67.5-35000112.7R45 D66R45-D68 WeakPolarHBondContact CD-O 3.24Å; R45-D68 HydrophobicContact CG-CB 4.18Å; R45-D68 WeakPolarHBondContact CG-O 3.37Å; R45-D68 PolarHBondContact NE-O 2.68Å; R45-D68 PolarHBondContact NH2-O 3.04Å; D66-D68 PolarHBondContact O-N 3.17Å; D66-D68 PolarHBondContact OD1-N 3.22Å
69I93.5Very high85.7Confident5 Ų585 Ų853%0.02642%0.42CS..SBendtrans-123.4130.9-169.2-52.4-60.6000111.5A41 R42 R45 I51 V53 D66 F71A41-I69 HydrophobicContact CB-CD1 3.82Å; A41-I69 HydrophobicContact CB-CG1 4.3Å; R42-I69 HydrophobicContact CG-CD1 4.48Å; R42-I69 HydrophobicContact CG-CG1 4.38Å; R45-I69 HydrophobicContact CB-CD1 4.14Å; R45-I69 HydrophobicContact CG-CD1 4.5Å; I51-I69 HydrophobicContact CB-CD1 3.97Å; I51-I69 HydrophobicContact CG2-CD1 4Å; I51-I69 HydrophobicContact CG2-CG2 4.28Å; V53-I69 HydrophobicContact CB-CG2 4.25Å; V53-I69 HydrophobicContact CG2-CG2 3.49Å; V53-I69 VanDerWaalsContact CG2-CG2 3.49Å; D66-I69 HydrophobicContact CB-CB 4.04Å; D66-I69 HydrophobicContact CB-CG1 4.2Å; I69-F71 HydrophobicContact CB-CE2 4.3Å; I69-F71 HydrophobicContact CG2-CE2 4.36Å; I69-F71 WeakPolarHBondContact O-CD2 3.14Å; I69-F71 PolarHBondContact O-N 3.38Å
70D94.9Very high84.6Confident77 Ų7785.1 Ų85.141%0.41242%0.421SS..EExtended strand (participates in β ladder)trans-82.3116.4177.7-61.4-42000110.6N50 I51 S52 V53N50-D70 PolarHBondContact OD1-OD2 3.49Å; I51-D70 PolarHBondContact O-N 2.79Å; S52-D70 CarbonylContact C-O 3.57Å; S52-D70 WeakPolarHBondContact CA-O 3.36Å; V53-D70 PolarHBondContact N-O 3.29Å
71F95.4Very high83.3Confident30 Ų3082.7 Ų82.713%0.13242%0.419CS..EExtended strand (participates in β ladder)trans-92.2134.2176-74.7-88.5000112.2I34 L38 V53 Q55 M64 D66 I69 Y73I34-F71 HydrophobicContact CG2-CE1 3.63Å; I34-F71 HydrophobicContact CG2-CZ 4.32Å; L38-F71 HydrophobicContact CD2-CE1 4.34Å; L38-F71 HydrophobicContact CD2-CZ 3.75Å; V53-F71 HydrophobicContact CB-CD1 4.1Å; V53-F71 HydrophobicContact CB-CE1 4.09Å; V53-F71 HydrophobicContact CG1-CD1 4.31Å; V53-F71 HydrophobicContact CG1-CE1 4.1Å; V53-F71 WeakPolarHBondContact O-CA 3.31Å; Q55-F71 HydrophobicContact CB-CD1 4.22Å; M64-F71 HydrophobicContact CB-CE1 4.26Å; M64-F71 HydrophobicContact CB-CZ 4.19Å; D66-F71 HydrophobicContact CB-CE2 3.65Å; D66-F71 HydrophobicContact CB-CZ 4.29Å; I69-F71 HydrophobicContact CB-CE2 4.3Å; I69-F71 HydrophobicContact CG2-CE2 4.36Å; I69-F71 WeakPolarHBondContact O-CD2 3.14Å; I69-F71 PolarHBondContact O-N 3.38Å; F71-Y73 HydrophobicContact CB-CD1 4.37Å; F71-Y73 HydrophobicContact CB-CE1 3.7Å; F71-Y73 HydrophobicContact CB-CE2 3.87Å; F71-Y73 VanDerWaalsContact CB-CZ 3.4Å; F71-Y73 WeakPolarHBondContact CB-OH 3.4Å; F71-Y73 HydrophobicContact CD1-CE1 4.38Å; F71-Y73 HydrophobicContact CG-CE1 4.17Å
72I94.7Very high82.3Confident83 Ų8378.5 Ų78.543%0.42639%0.389SS..EExtended strand (participates in β ladder)trans-107.3103.4169.3-57.6174.7000107.3L23 V53 V54 Q55L23-I72 HydrophobicContact CD1-CD1 3.97Å; V53-I72 PolarHBondContact O-N 2.95Å; V54-I72 WeakPolarHBondContact CA-O 3.42Å; Q55-I72 PolarHBondContact N-O 3.4Å
73Y93.7Very high81.5Confident69 Ų6979.8 Ų79.827%0.27140%0.398SS..EExtended strand (participates in β ladder)trans-83.5127.9-178.1-56.3-70.4000111.4Q55 K63 M64 F65 F71Q55-Y73 HydrophobicContact CB-CD1 4.12Å; Q55-Y73 HydrophobicContact CB-CE1 4.47Å; Q55-Y73 HydrophobicContact CG-CD1 4.43Å; Q55-Y73 WeakPolarHBondContact O-CA 3.35Å; K63-Y73 HydrophobicContact CB-CD1 4.42Å; K63-Y73 HydrophobicContact CB-CE1 3.98Å; K63-Y73 HydrophobicContact CD-CD1 4.06Å; K63-Y73 HydrophobicContact CD-CD2 4.45Å; K63-Y73 HydrophobicContact CD-CE1 4.2Å; K63-Y73 HydrophobicContact CD-CG 4.2Å; K63-Y73 HydrophobicContact CG-CD1 3.83Å; K63-Y73 HydrophobicContact CG-CE1 3.9Å; K63-Y73 HydrophobicContact CG-CG 4.44Å; M64-Y73 PolarHBondContact O-OH 2.98Å; F65-Y73 WeakPolarHBondContact CD1-OH 3.29Å; F65-Y73 HydrophobicContact CE1-CE2 4.26Å; F65-Y73 AromaticContact CE1-CZ 3.95Å; F65-Y73 WeakPolarHBondContact CE1-OH 3.29Å; F71-Y73 HydrophobicContact CB-CD1 4.37Å; F71-Y73 HydrophobicContact CB-CE1 3.7Å; F71-Y73 HydrophobicContact CB-CE2 3.87Å; F71-Y73 VanDerWaalsContact CB-CZ 3.4Å; F71-Y73 WeakPolarHBondContact CB-OH 3.4Å; F71-Y73 HydrophobicContact CD1-CE1 4.38Å; F71-Y73 HydrophobicContact CG-CE1 4.17Å
74V91.2Very high80.5Confident56 Ų5684 Ų8434%0.33942%0.419SS..EExtended strand (participates in β ladder)trans-122.4109.6177.8-177.60000108.8V54 Q55 Y56 Y57V54-V74 HydrophobicContact CG1-CG2 3.9Å; Q55-V74 PolarHBondContact O-N 3.05Å; Y56-V74 VanDerWaalsContact CA-O 3.29Å; Y56-V74 WeakPolarHBondContact CA-O 3.07Å; Y56-V74 HydrophobicContact CD1-CB 3.73Å; Y56-V74 HydrophobicContact CD1-CG1 3.79Å; Y56-V74 HydrophobicContact CE1-CB 4.03Å; Y56-V74 HydrophobicContact CE1-CG1 3.9Å; Y56-V74 HydrophobicContact CE1-CG2 4.39Å; Y57-V74 WeakPolarHBondContact CD1-O 3.46Å; Y57-V74 PolarHBondContact N-O 3.28Å
75F88.4Confident79.9Confident91 Ų9189.8 Ų89.840%0.39944%0.443SS..EExtended strand (participates in β ladder)trans-73.2130.5179.4-178.3-116.4000111.1Y57 A58 Y77Y57-F75 HydrophobicContact CD2-CD2 4.13Å; Y57-F75 HydrophobicContact CE1-CB 3.92Å; Y57-F75 HydrophobicContact CE2-CB 4.48Å; Y57-F75 AromaticContact CE2-CD2 3.67Å; Y57-F75 HydrophobicContact CE2-CD2 3.67Å; Y57-F75 HydrophobicContact CE2-CE2 4.44Å; Y57-F75 AromaticContact CZ-CD2 3.9Å; Y57-F75 WeakPolarHBondContact O-CA 3.3Å; A58-F75 WeakPolarHBondContact O-CE2 3.11Å; F75-Y77 HydrophobicContact CD1-CD1 4.4Å; F75-Y77 HydrophobicContact CD1-CD2 4.4Å; F75-Y77 HydrophobicContact CD1-CG 4.25Å; F75-Y77 VanDerWaalsContact CE1-CA 3.45Å; F75-Y77 HydrophobicContact CE1-CD1 4.03Å; F75-Y77 HydrophobicContact CE1-CG 4.13Å
76T80.8Confident79Confident31 Ų3186.6 Ų86.619%0.1943%0.431CS..  trans-105.646.1-178.961.90000112.4Y56 Y57 G78 D79Y56-T76 HydrophobicContact CD1-CG2 4.1Å; Y56-T76 HydrophobicContact CG-CG2 4.44Å; Y57-T76 PolarHBondContact O-N 3.19Å; Y57-T76 PolarHBondContact O-OG1 3.44Å; T76-G78 CarbonylContact O-C 3.57Å; T76-G78 PolarHBondContact O-N 3.08Å; T76-D79 WeakPolarHBondContact O-CA 3.06Å; T76-D79 PolarHBondContact O-N 2.65Å
77Y72Confident78.2Confident207 Ų20785.8 Ų85.881%0.81243%0.426SS*.THydrogen-bonded Turntrans36.632167.9-76.6-81.6000118.3F75 D79F75-Y77 HydrophobicContact CD1-CD1 4.4Å; F75-Y77 HydrophobicContact CD1-CD2 4.4Å; F75-Y77 HydrophobicContact CD1-CG 4.25Å; F75-Y77 VanDerWaalsContact CE1-CA 3.45Å; F75-Y77 HydrophobicContact CE1-CD1 4.03Å; F75-Y77 HydrophobicContact CE1-CG 4.13Å; Y77-D79 PolarHBondContact O-N 2.87Å
78G61.4Low77.7Confident49 Ų4976.8 Ų76.851%0.50539%0.394SS..THydrogen-bonded Turntrans69.42.6-172.900000115.7T76 N80T76-G78 CarbonylContact O-C 3.57Å; T76-G78 PolarHBondContact O-N 3.08Å; G78-N80 PolarHBondContact O-N 3.42Å
79D57.8Low77.2Confident127 Ų12776.4 Ų76.468%0.67939%0.392SS*.  trans-68.176.9161.6-85.1-22.6000108T76 Y77 A81T76-D79 WeakPolarHBondContact O-CA 3.06Å; T76-D79 PolarHBondContact O-N 2.65Å; Y77-D79 PolarHBondContact O-N 2.87Å; D79-A81 PolarHBondContact O-N 2.94Å
80N60.6Low76.6Confident88 Ų8876.8 Ų76.847%0.47139%0.394SS..  trans-54.4140.7166.5-69.2-16.3000107.6A58 G78 V82A58-N80 WeakPolarHBondContact CB-OD1 3.27Å; G78-N80 PolarHBondContact O-N 3.42Å; N80-V82 VanDerWaalsContact CB-O 3.31Å; N80-V82 WeakPolarHBondContact CB-O 3.24Å; N80-V82 CarbonylContact O-C 3.59Å; N80-V82 PolarHBondContact O-N 2.9Å
81A60.1Low75.9Confident59 Ų5973.3 Ų73.349%0.48838%0.375SS..SBendtrans-52.2-22.6174.300000112.5D79 F151D79-A81 PolarHBondContact O-N 2.94Å; A81-F151 HydrophobicContact CB-CE1 3.79Å; A81-F151 HydrophobicContact CB-CZ 3.76Å
82V62Low75Confident16 Ų1680.3 Ų80.310%0.09740%0.401CS..SBendtrans-128.4111167.9-175.90000109.5N80 M86 E87 I90 F151N80-V82 VanDerWaalsContact CB-O 3.31Å; N80-V82 WeakPolarHBondContact CB-O 3.24Å; N80-V82 CarbonylContact O-C 3.59Å; N80-V82 PolarHBondContact O-N 2.9Å; V82-M86 HydrophobicContact CG1-CB 3.66Å; V82-M86 HydrophobicContact CG1-CG 3.75Å; V82-E87 HydrophobicContact CG1-CB 4.34Å; V82-E87 HydrophobicContact CG1-CG 3.62Å; V82-I90 HydrophobicContact CB-CD1 4.4Å; V82-I90 HydrophobicContact CG1-CD1 3.4Å; V82-I90 HydrophobicContact CG2-CD1 4.03Å; V82-F151 HydrophobicContact CB-CD1 3.99Å; V82-F151 HydrophobicContact CB-CE1 4.36Å; V82-F151 HydrophobicContact CG2-CB 4.39Å; V82-F151 HydrophobicContact CG2-CD1 3.29Å; V82-F151 HydrophobicContact CG2-CE1 3.67Å; V82-F151 HydrophobicContact CG2-CG 3.95Å
83N67.6Low73.9Confident82 Ų8280.1 Ų80.144%0.43940%0.398SS..  trans-81.1171.7172.867.629.2000112.1K85 M86 E87N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 3.22Å; N83-K85 WeakPolarHBondContact OD1-CB 3.3Å; N83-K85 PolarHBondContact OD1-N 2.73Å; N83-M86 CarbonylContact O-C 3.54Å; N83-M86 WeakPolarHBondContact O-CA 3.49Å; N83-M86 WeakPolarHBondContact O-CB 3.37Å; N83-M86 PolarHBondContact O-N 3.47Å; N83-M86 WeakPolarHBondContact OD1-CB 3.15Å; N83-M86 PolarHBondContact OD1-N 3.47Å; N83-E87 PolarHBondContact O-N 3.34Å
84Q68.7Low72.6Confident137 Ų13783.5 Ų83.564%0.6441%0.414SS*.Hα-helixtrans-59.1-35.4-176.9-169.7-179.714.300113.6M86 E87 N88 I156Q84-M86 VanDerWaalsContact C-N 3.34Å; Q84-E87 PolarHBondContact O-N 2.91Å; Q84-N88 WeakPolarHBondContact O-CB 3.4Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 PolarHBondContact O-ND2 3.45Å; Q84-N88 VanDerWaalsContact O-ND2 3.12Å; Q84-I156 HydrophobicContact CG-CD1 4.24Å
85K75.4Confident71.3Confident162 Ų16282.2 Ų82.270%0.70441%0.405SS*.Hα-helixtrans-64.2-43.1174.9-177.2179.8177.6-178.40110.5N83 N88 L89N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 3.22Å; N83-K85 WeakPolarHBondContact OD1-CB 3.3Å; N83-K85 PolarHBondContact OD1-N 2.73Å; K85-N88 PolarHBondContact O-N 3.48Å; K85-L89 WeakPolarHBondContact O-CG 3.39Å; K85-L89 PolarHBondContact O-N 3.03Å; K85-L89 VanDerWaalsContact O-N 3.11Å
86M69.6Low69.9Low90 Ų9082 Ų8244%0.44342%0.419SS..Hα-helixtrans-67.7-43.2176.7-164.670.273.700111.7V82 N83 Q84 N88 L89 I90V82-M86 HydrophobicContact CG1-CB 3.66Å; V82-M86 HydrophobicContact CG1-CG 3.75Å; N83-M86 CarbonylContact O-C 3.54Å; N83-M86 WeakPolarHBondContact O-CA 3.49Å; N83-M86 WeakPolarHBondContact O-CB 3.37Å; N83-M86 PolarHBondContact O-N 3.47Å; N83-M86 WeakPolarHBondContact OD1-CB 3.15Å; N83-M86 PolarHBondContact OD1-N 3.47Å; Q84-M86 VanDerWaalsContact C-N 3.34Å; M86-N88 VanDerWaalsContact C-N 3.3Å; M86-N88 PolarHBondContact O-N 3.5Å; M86-L89 CarbonylContact O-C 3.52Å; M86-L89 WeakPolarHBondContact O-CB 3.38Å; M86-L89 PolarHBondContact O-N 2.93Å; M86-L89 VanDerWaalsContact O-N 3.11Å; M86-L89 HydrophobicContact SD-CD1 4.49Å; M86-I90 HydrophobicContact CG-CD1 4.03Å; M86-I90 HydrophobicContact CG-CG1 4.4Å; M86-I90 WeakPolarHBondContact O-CB 3.17Å; M86-I90 VanDerWaalsContact O-CG1 3.24Å; M86-I90 WeakPolarHBondContact O-CG1 3.39Å; M86-I90 PolarHBondContact O-N 2.98Å
87E75.8Confident68.9Low12 Ų1283 Ų836%0.05642%0.424CS..Hα-helixtrans-56.2-44.4173.2-79.7-68.8162.800111.3V82 N83 Q84 L89 I90 W91 N153 I156V82-E87 HydrophobicContact CG1-CB 4.34Å; V82-E87 HydrophobicContact CG1-CG 3.62Å; N83-E87 PolarHBondContact O-N 3.34Å; Q84-E87 PolarHBondContact O-N 2.91Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.04Å; E87-I90 WeakPolarHBondContact O-CB 3.17Å; E87-I90 PolarHBondContact O-N 3.45Å; E87-W91 VanDerWaalsContact O-CD1 3.25Å; E87-W91 PolarHBondContact O-N 3.41Å; E87-N153 HydrophobicContact CG-CB 4.41Å; E87-N153 PolarHBondContact OE2-N 3.42Å; E87-I156 HydrophobicContact CB-CB 4.42Å; E87-I156 HydrophobicContact CB-CD1 3.9Å; E87-I156 HydrophobicContact CB-CG2 3.9Å; E87-I156 HydrophobicContact CG-CD1 3.89Å
88N77.6Confident68.1Low55 Ų5578.4 Ų78.429%0.29442%0.419SS..Hα-helixtrans-61.4-40.9175.8-81.4-44.7000112.6Q84 K85 M86 R92Q84-N88 WeakPolarHBondContact O-CB 3.4Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 PolarHBondContact O-ND2 3.45Å; Q84-N88 VanDerWaalsContact O-ND2 3.12Å; K85-N88 PolarHBondContact O-N 3.48Å; M86-N88 VanDerWaalsContact C-N 3.3Å; M86-N88 PolarHBondContact O-N 3.5Å; N88-R92 VanDerWaalsContact O-CB 3.31Å; N88-R92 WeakPolarHBondContact O-CB 3.24Å; N88-R92 VanDerWaalsContact O-CG 3.28Å; N88-R92 WeakPolarHBondContact O-CG 3.24Å; N88-R92 PolarHBondContact O-N 3.12Å; N88-R92 VanDerWaalsContact O-N 3.11Å
89L79.1Confident67.8Low79 Ų7984 Ų8441%0.41443%0.425SS..Hα-helixtrans-66.6-43.9174.7-70.5171.3000111.2K85 M86 E87 W91 R92 Q93K85-L89 WeakPolarHBondContact O-CG 3.39Å; K85-L89 PolarHBondContact O-N 3.03Å; K85-L89 VanDerWaalsContact O-N 3.11Å; M86-L89 CarbonylContact O-C 3.52Å; M86-L89 WeakPolarHBondContact O-CB 3.38Å; M86-L89 PolarHBondContact O-N 2.93Å; M86-L89 VanDerWaalsContact O-N 3.11Å; M86-L89 HydrophobicContact SD-CD1 4.49Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.04Å; L89-W91 VanDerWaalsContact C-N 3.25Å; L89-W91 PolarHBondContact O-N 2.51Å; L89-R92 PolarHBondContact O-N 3.17Å; L89-Q93 WeakPolarHBondContact O-CB 3.45Å; L89-Q93 PolarHBondContact O-N 2.93Å
90I81.8Confident67.8Low12 Ų1281.2 Ų81.26%0.06241%0.408CS..Hα-helixtrans-56.7-39.6177.7-76168.6000111V82 M86 E87 L230 F231 K252V82-I90 HydrophobicContact CB-CD1 4.4Å; V82-I90 HydrophobicContact CG1-CD1 3.4Å; V82-I90 HydrophobicContact CG2-CD1 4.03Å; M86-I90 HydrophobicContact CG-CD1 4.03Å; M86-I90 HydrophobicContact CG-CG1 4.4Å; M86-I90 WeakPolarHBondContact O-CB 3.17Å; M86-I90 VanDerWaalsContact O-CG1 3.24Å; M86-I90 WeakPolarHBondContact O-CG1 3.39Å; M86-I90 PolarHBondContact O-N 2.98Å; E87-I90 WeakPolarHBondContact O-CB 3.17Å; E87-I90 PolarHBondContact O-N 3.45Å; I90-L230 HydrophobicContact CG2-CB 3.76Å; I90-L230 HydrophobicContact CG2-CD1 4.21Å; I90-F231 HydrophobicContact CB-CD1 4.31Å; I90-F231 HydrophobicContact CD1-CD1 3.83Å; I90-F231 HydrophobicContact CD1-CE1 3.83Å; I90-F231 HydrophobicContact CD1-CG 4.27Å; I90-F231 HydrophobicContact CD1-CZ 4.29Å; I90-F231 HydrophobicContact CG1-CB 4.31Å; I90-F231 HydrophobicContact CG1-CD1 3.78Å; I90-F231 HydrophobicContact CG1-CE1 4.31Å; I90-F231 HydrophobicContact CG1-CG 4.05Å; I90-F231 HydrophobicContact CG2-CD1 3.55Å; I90-F231 HydrophobicContact CG2-CE1 4.06Å; I90-F231 HydrophobicContact CG2-CG 4.48Å; I90-K252 WeakPolarHBondContact O-CE 3.32Å; I90-K252 PolarHBondContact O-NZ 3.41Å
91W79.8Confident67.6Low5 Ų582.6 Ų82.62%0.01942%0.415CS..Hα-helixtrans-79.3-35.3177.7-76.8108.3000113.7E87 L89 F148 W154 A157 P158 V161 L230E87-W91 VanDerWaalsContact O-CD1 3.25Å; E87-W91 PolarHBondContact O-N 3.41Å; L89-W91 VanDerWaalsContact C-N 3.25Å; L89-W91 PolarHBondContact O-N 2.51Å; W91-F148 HydrophobicContact CH2-CD1 4.44Å; W91-W154 AromaticContact CH2-CH2 3.71Å; W91-W154 HydrophobicContact CH2-CH2 3.71Å; W91-W154 AromaticContact CH2-CZ2 3.82Å; W91-W154 HydrophobicContact CH2-CZ2 3.82Å; W91-W154 HydrophobicContact CH2-CZ3 4.15Å; W91-W154 HydrophobicContact CZ2-CZ2 4.43Å; W91-W154 HydrophobicContact CZ3-CH2 4.43Å; W91-A157 HydrophobicContact CD2-CB 3.98Å; W91-A157 HydrophobicContact CE3-CB 4.4Å; W91-A157 HydrophobicContact CH2-CB 4.16Å; W91-A157 HydrophobicContact CZ2-CB 3.71Å; W91-A157 HydrophobicContact CZ3-CB 4.49Å; W91-P158 HydrophobicContact CB-CG 4.11Å; W91-V161 HydrophobicContact CE3-CG1 4.32Å; W91-V161 HydrophobicContact CH2-CG1 4.42Å; W91-V161 HydrophobicContact CZ3-CG1 3.77Å; W91-L230 HydrophobicContact CE3-CD2 3.89Å; W91-L230 HydrophobicContact CH2-CD1 4.19Å; W91-L230 HydrophobicContact CH2-CD2 3.85Å; W91-L230 HydrophobicContact CZ2-CD1 4.17Å; W91-L230 HydrophobicContact CZ2-CD2 4.47Å; W91-L230 HydrophobicContact CZ3-CD2 3.51Å
92R76.8Confident67.3Low176 Ų17684.3 Ų84.366%0.66442%0.415SS*.Hα-helixtrans-98.1-24.8-167.7-63.4176.7-176.5-119.81.3114.9N88 L89N88-R92 VanDerWaalsContact O-CB 3.31Å; N88-R92 WeakPolarHBondContact O-CB 3.24Å; N88-R92 VanDerWaalsContact O-CG 3.28Å; N88-R92 WeakPolarHBondContact O-CG 3.24Å; N88-R92 PolarHBondContact O-N 3.12Å; N88-R92 VanDerWaalsContact O-N 3.11Å; L89-R92 PolarHBondContact O-N 3.17Å
93Q72.2Confident67Low80 Ų8088.9 Ų88.937%0.37444%0.436SS..SBendtrans-76.3128.4-175.2-173.8174.1-12.700111.4L89 M95 E100 K252L89-Q93 WeakPolarHBondContact O-CB 3.45Å; L89-Q93 PolarHBondContact O-N 2.93Å; Q93-M95 PolarHBondContact O-N 2.72Å; Q93-E100 PolarHBondContact NE2-OE1 3.43Å; Q93-K252 WeakPolarHBondContact O-CE 3.17Å; Q93-K252 PolarHBondContact O-NZ 2.92Å
94K66.6Low66.2Low140 Ų14088 Ų8861%0.60944%0.436SS*.  trans-65.7130169-73-177.6178.6174.90109.3A96 T253K94-A96 PolarHBondContact O-N 3.38Å; K94-A96 VanDerWaalsContact O-N 3.1Å; K94-T253 HydrophobicContact CG-CG2 4.01Å
95M62.3Low65.2Low29 Ų2984.2 Ų84.214%0.14343%0.434CS..SBendtrans-72.8-0.4-173.6-51.5-175.487.500115Q93 P229 L230 F231 L235Q93-M95 PolarHBondContact O-N 2.72Å; M95-P229 HydrophobicContact CE-CB 3.73Å; M95-P229 HydrophobicContact CE-CG 4.42Å; M95-P229 HydrophobicContact SD-CB 3.59Å; M95-P229 VanDerWaalsContact SD-CB 3.59Å; M95-P229 HydrophobicContact SD-CG 3.62Å; M95-L230 WeakPolarHBondContact CE-O 3.49Å; M95-F231 VanDerWaalsContact CE-CA 3.44Å; M95-L235 HydrophobicContact CB-CD2 4.04Å; M95-L235 HydrophobicContact CE-CB 3.94Å; M95-L235 HydrophobicContact SD-CB 4.23Å; M95-L235 HydrophobicContact SD-CD1 4.35Å
96A59.7Low63.9Low85 Ų8582.4 Ų82.470%0.70243%0.431SS*.  trans-115.467.8-175.100000109.4K94K94-A96 PolarHBondContact O-N 3.38Å; K94-A96 VanDerWaalsContact O-N 3.1Å
97N59.5Low63Low53 Ų5382.5 Ų82.528%0.28344%0.437SS..  trans-83.4135.4145.369.744.3000106.8W99 E100N97-W99 PolarHBondContact O-N 2.77Å; N97-W99 PolarHBondContact OD1-N 3.4Å; N97-E100 VanDerWaalsContact ND2-CD 3.29Å; N97-E100 PolarHBondContact ND2-OE1 3.27Å; N97-E100 PolarHBondContact O-N 2.73Å; N97-E100 WeakPolarHBondContact OD1-CB 3.15Å; N97-E100 WeakPolarHBondContact OD1-CG 3.34Å; N97-E100 PolarHBondContact OD1-N 2.97Å
98P55.9Low61.9Low111 Ų11186.2 Ų86.272%0.72147%0.469SS*.Hα-helixtrans-55-25179-2935.6000113.8L101 L102P98-L101 WeakPolarHBondContact O-CB 3.48Å; P98-L101 PolarHBondContact O-N 3.32Å; P98-L102 PolarHBondContact O-N 2.94Å
99W54.7Low60.5Low167 Ų16786.8 Ų86.863%0.63349%0.488SS*.Hα-helixtrans-69.1-42.5-179-171.6-105.4000113.5N97 L101 L102 Q103N97-W99 PolarHBondContact O-N 2.77Å; N97-W99 PolarHBondContact OD1-N 3.4Å; W99-L101 VanDerWaalsContact C-N 3.31Å; W99-L101 PolarHBondContact O-N 2.88Å; W99-L102 HydrophobicContact CE3-CD2 4.16Å; W99-L102 HydrophobicContact CZ3-CD2 3.96Å; W99-L102 WeakPolarHBondContact O-CB 3.44Å; W99-L102 PolarHBondContact O-N 2.73Å; W99-Q103 VanDerWaalsContact NE1-NE2 3.12Å; W99-Q103 WeakPolarHBondContact O-CG 3.33Å; W99-Q103 PolarHBondContact O-N 3.08Å
100E57.6Low59.3Low67 Ų6789.7 Ų89.731%0.31350%0.501SS..Hα-helixtrans-64.4-38.2174.2-82.1168.3-154.300110.6Q93 N97 Q103 S104Q93-E100 PolarHBondContact NE2-OE1 3.43Å; N97-E100 VanDerWaalsContact ND2-CD 3.29Å; N97-E100 PolarHBondContact ND2-OE1 3.27Å; N97-E100 PolarHBondContact O-N 2.73Å; N97-E100 WeakPolarHBondContact OD1-CB 3.15Å; N97-E100 WeakPolarHBondContact OD1-CG 3.34Å; N97-E100 PolarHBondContact OD1-N 2.97Å; E100-Q103 PolarHBondContact O-N 2.89Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.2Å; E100-S104 PolarHBondContact O-OG 3.07Å
101L56.9Low58.2Low117 Ų11790.3 Ų90.361%0.61351%0.508SS*.Hα-helixtrans-62.4-45.5174.5-157.887.6000110.7P98 W99 S104 G105P98-L101 WeakPolarHBondContact O-CB 3.48Å; P98-L101 PolarHBondContact O-N 3.32Å; W99-L101 VanDerWaalsContact C-N 3.31Å; W99-L101 PolarHBondContact O-N 2.88Å; L101-S104 PolarHBondContact O-N 3.45Å; L101-S104 PolarHBondContact O-OG 3.15Å; L101-G105 PolarHBondContact O-N 3.01Å
102L54.1Low57.4Low96 Ų96100.2 Ų100.250%0.50355%0.552SS.*Hα-helixtrans-60.4-48176.6-164.982.7000111.2P98 W99 S104 G105 L106P98-L102 PolarHBondContact O-N 2.94Å; W99-L102 HydrophobicContact CE3-CD2 4.16Å; W99-L102 HydrophobicContact CZ3-CD2 3.96Å; W99-L102 WeakPolarHBondContact O-CB 3.44Å; W99-L102 PolarHBondContact O-N 2.73Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.29Å; L102-G105 PolarHBondContact O-N 3.21Å; L102-G105 VanDerWaalsContact O-N 3.15Å; L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.92Å
103Q54.7Low57.3Low112 Ų11294.9 Ų94.952%0.52354%0.537SS..Hα-helixtrans-61.6-39.3177.4-73.3-176.7-22.600112.5W99 E100 G105 L106W99-Q103 VanDerWaalsContact NE1-NE2 3.12Å; W99-Q103 WeakPolarHBondContact O-CG 3.33Å; W99-Q103 PolarHBondContact O-N 3.08Å; E100-Q103 PolarHBondContact O-N 2.89Å; Q103-G105 VanDerWaalsContact C-N 3.31Å; Q103-G105 PolarHBondContact O-N 3.1Å; Q103-L106 PolarHBondContact O-N 3.48Å
104S50.9Low57.5Low62 Ų6293.2 Ų93.243%0.43453%0.532SS..Hα-helixtrans-70.3-27.3176.375.40000113.4E100 L101 L102E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.2Å; E100-S104 PolarHBondContact O-OG 3.07Å; L101-S104 PolarHBondContact O-N 3.45Å; L101-S104 PolarHBondContact O-OG 3.15Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.29Å
105G49Very low58Low58 Ų5890.7 Ų90.760%0.59852%0.521SS*.Hα-helixtrans-80-27.517500000113.3L101 L102 Q103 T107L101-G105 PolarHBondContact O-N 3.01Å; L102-G105 PolarHBondContact O-N 3.21Å; L102-G105 VanDerWaalsContact O-N 3.15Å; Q103-G105 VanDerWaalsContact C-N 3.31Å; Q103-G105 PolarHBondContact O-N 3.1Å; G105-T107 PolarHBondContact O-N 3Å
106L47.7Very low58.9Low125 Ų12595.4 Ų95.465%0.65454%0.544SS*.  trans-76.856.5170.1-65.7169.7000110.4L102 Q103 A108L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.92Å; Q103-L106 PolarHBondContact O-N 3.48Å; L106-A108 PolarHBondContact O-N 3.25Å; L106-A108 VanDerWaalsContact O-N 3.12Å
107T50.1Low60.1Low91 Ų9194.3 Ų94.356%0.55853%0.529SS*.PPolyproline II helixtrans-59.6120.3162.854.80000106.8G105 G109G105-T107 PolarHBondContact O-N 3Å; T107-G109 PolarHBondContact O-N 3.17Å
108A52.3Low61.3Low90 Ų9095 Ų9574%0.74453%0.533SS*.PPolyproline II helixtrans-46.1118.2171.600000107.8L106 M110L106-A108 PolarHBondContact O-N 3.25Å; L106-A108 VanDerWaalsContact O-N 3.12Å; A108-M110 PolarHBondContact O-N 2.03Å
109G49.7Very low62.8Low67 Ų6791.4 Ų91.469%0.69151%0.505SS*.PPolyproline II helixtrans-49.7129.3-177.100000109.4T107 A111T107-G109 PolarHBondContact O-N 3.17Å; G109-A111 PolarHBondContact O-N 3.33Å
110M53Low64.4Low140 Ų14084.2 Ų84.269%0.6948%0.481SS*.PPolyproline II helixtrans-58.5129.4178.1-69179.6-72.300108.5A108 M116A108-M110 PolarHBondContact O-N 2.03Å; M110-M116 HydrophobicContact CG-SD 4.38Å; M110-M116 HydrophobicContact SD-SD 3.59Å
111A58.3Low66Low25 Ų2583.4 Ų83.421%0.20748%0.482CS..PPolyproline II helixtrans-68.8136.6166.900000108G109 N113 T114 L314G109-A111 PolarHBondContact O-N 3.33Å; A111-N113 PolarHBondContact O-N 2.82Å; A111-T114 HydrophobicContact CB-CG2 3.92Å; A111-T114 PolarHBondContact O-N 3.41Å; A111-T114 PolarHBondContact O-OG1 3.06Å; A111-L314 HydrophobicContact CB-CD2 3.96Å
112F64.3Low67.5Low213 Ų21379 Ų7993%0.93446%0.46SS*.THydrogen-bonded Turntrans-50-23.1-177.6-77.8-85000114.9
113N74.3Confident69.1Low65 Ų6584.4 Ų84.435%0.34848%0.48SS..THydrogen-bonded Turntrans-11220.2-175.8-58.5-28.3000113.2A111 H311 M312A111-N113 PolarHBondContact O-N 2.82Å; N113-H311 WeakPolarHBondContact CB-O 3.49Å; N113-H311 PolarHBondContact ND2-CD2 3.22Å; N113-H311 PolarHBondContact ND2-O 2.98Å; N113-M312 HydrophobicContact CB-CB 4.46Å; N113-M312 HydrophobicContact CB-CG 4.27Å; N113-M312 WeakPolarHBondContact O-CA 3.3Å; N113-M312 WeakPolarHBondContact O-CB 3.19Å
114T75Confident70.5Confident44 Ų4480.3 Ų80.327%0.2747%0.465SS..  trans-100.3134.7173.752.30000110.8A111 M312 L314A111-T114 HydrophobicContact CB-CG2 3.92Å; A111-T114 PolarHBondContact O-N 3.41Å; A111-T114 PolarHBondContact O-OG1 3.06Å; T114-M312 WeakPolarHBondContact CG2-O 3.41Å; T114-L314 HydrophobicContact CG2-CD2 3.74Å; T114-L314 HydrophobicContact CG2-CG 4.05Å
115F78.6Confident72.1Confident88 Ų8881.1 Ų81.139%0.38647%0.471SS..  trans-106.7115.9179.4-56.1-75.2000109.4W298 M312F115-W298 HydrophobicContact CB-CD2 4.15Å; F115-W298 HydrophobicContact CB-CG 3.98Å; F115-W298 AromaticContact CD1-CD2 3.87Å; F115-W298 HydrophobicContact CD1-CD2 3.87Å; F115-W298 AromaticContact CD1-CE2 3.31Å; F115-W298 HydrophobicContact CD1-CE3 4.32Å; F115-W298 AromaticContact CD1-CH2 3.87Å; F115-W298 HydrophobicContact CD1-CH2 3.87Å; F115-W298 AromaticContact CD1-CZ2 3.33Å; F115-W298 HydrophobicContact CD1-CZ2 3.33Å; F115-W298 HydrophobicContact CD1-CZ3 4.33Å; F115-W298 AromaticContact CD1-NE1 3.66Å; F115-W298 AromaticContact CD2-CD2 3.52Å; F115-W298 HydrophobicContact CD2-CD2 3.52Å; F115-W298 AromaticContact CD2-CE2 3.91Å; F115-W298 AromaticContact CD2-CE3 3.52Å; F115-W298 HydrophobicContact CD2-CE3 3.52Å; F115-W298 HydrophobicContact CD2-CG 4.04Å; F115-W298 HydrophobicContact CD2-CH2 4.31Å; F115-W298 HydrophobicContact CD2-CZ2 4.3Å; F115-W298 AromaticContact CD2-CZ3 3.93Å; F115-W298 HydrophobicContact CD2-CZ3 3.93Å; F115-W298 HydrophobicContact CE1-CD2 4.17Å; F115-W298 AromaticContact CE1-CE2 3.61Å; F115-W298 HydrophobicContact CE1-CE3 4.22Å; F115-W298 AromaticContact CE1-CH2 3.21Å; F115-W298 HydrophobicContact CE1-CH2 3.21Å; F115-W298 AromaticContact CE1-CZ2 3.12Å; F115-W298 HydrophobicContact CE1-CZ2 3.12Å; F115-W298 AromaticContact CE1-CZ3 3.79Å; F115-W298 HydrophobicContact CE1-CZ3 3.79Å; F115-W298 AromaticContact CE2-CD2 3.85Å; F115-W298 HydrophobicContact CE2-CD2 3.85Å; F115-W298 AromaticContact CE2-CE3 3.39Å; F115-W298 HydrophobicContact CE2-CE3 3.39Å; F115-W298 AromaticContact CE2-CH2 3.72Å; F115-W298 HydrophobicContact CE2-CH2 3.72Å; F115-W298 HydrophobicContact CE2-CZ2 4.13Å; F115-W298 AromaticContact CE2-CZ3 3.32Å; F115-W298 HydrophobicContact CE2-CZ3 3.32Å; F115-W298 AromaticContact CG-CD1 3.98Å; F115-W298 AromaticContact CG-CD2 3.54Å; F115-W298 HydrophobicContact CG-CD2 3.54Å; F115-W298 AromaticContact CG-CE2 3.48Å; F115-W298 VanDerWaalsContact CG-CE2 3.48Å; F115-W298 HydrophobicContact CG-CE3 4Å; F115-W298 AromaticContact CG-CG 3.9Å; F115-W298 HydrophobicContact CG-CG 3.9Å; F115-W298 HydrophobicContact CG-CH2 4.37Å; F115-W298 AromaticContact CG-CZ2 3.94Å; F115-W298 HydrophobicContact CG-CZ2 3.94Å; F115-W298 HydrophobicContact CG-CZ3 4.4Å; F115-W298 AromaticContact CG-NE1 3.73Å; F115-W298 HydrophobicContact CZ-CD2 4.16Å; F115-W298 AromaticContact CZ-CE3 3.77Å; F115-W298 HydrophobicContact CZ-CE3 3.77Å; F115-W298 AromaticContact CZ-CH2 3.13Å; F115-W298 HydrophobicContact CZ-CH2 3.13Å; F115-W298 AromaticContact CZ-CZ2 3.57Å; F115-W298 HydrophobicContact CZ-CZ2 3.57Å; F115-W298 AromaticContact CZ-CZ3 3.24Å; F115-W298 HydrophobicContact CZ-CZ3 3.24Å; F115-M312 HydrophobicContact CE2-SD 4.03Å
116M79.9Confident74.1Confident128 Ų12887.3 Ų87.363%0.63148%0.482SS*.  trans-80.1130.3173.6-64.3-174.773.400110M110 K294M110-M116 HydrophobicContact CG-SD 4.38Å; M110-M116 HydrophobicContact SD-SD 3.59Å; M116-K294 WeakPolarHBondContact O-CE 3.34Å; M116-K294 PolarHBondContact O-NZ 3.41Å
117V85.8Confident76.3Confident62 Ų6282.1 Ų82.138%0.37645%0.454SS..  trans-112.2117169.9177.70000106.2D291V117-D291 HydrophobicContact CG1-CB 4.17Å; V117-D291 WeakPolarHBondContact CG1-O 3.03Å
118D85.5Confident78.4Confident68 Ų6880.6 Ų80.636%0.36445%0.448SS..  trans-88.1172.2178.1-159.81.7000110.7A120 R216 D291D118-A120 PolarHBondContact O-N 2.96Å; D118-A120 VanDerWaalsContact O-N 3.17Å; D118-R216 IonicContact OD2-CZ 3.24Å; D118-R216 IonicContact OD2-NE 3.57Å; D118-R216 IonicContact OD2-NH1 2.55Å; D118-D291 PolarHBondContact N-OD1 3.29Å; D118-D291 WeakPolarHBondContact O-CB 3.37Å
119Y87.1Confident80.3Confident35 Ų3582.1 Ų82.114%0.13744%0.443CS..  trans-66.7111.8168.4177.9-125.3000109.7P122 K213 R216 E217Y119-P122 HydrophobicContact CE1-CG 4.43Å; Y119-K213 HydrophobicContact CD1-CB 4.16Å; Y119-K213 HydrophobicContact CD1-CG 4.09Å; Y119-K213 HydrophobicContact CE1-CB 4.2Å; Y119-K213 HydrophobicContact CE1-CG 4.42Å; Y119-K213 HydrophobicContact CG-CG 4.37Å; Y119-R216 HydrophobicContact CD1-CB 4.17Å; Y119-R216 HydrophobicContact CD1-CG 4.04Å; Y119-R216 WeakPolarHBondContact O-CG 3.4Å; Y119-R216 PolarHBondContact O-NE 3.26Å; Y119-E217 HydrophobicContact CE1-CG 3.75Å; Y119-E217 WeakPolarHBondContact CE1-OE1 3.02Å; Y119-E217 PolarHBondContact OH-OE1 3.34Å
120A87.4Confident82.3Confident15 Ų1584.2 Ų84.212%0.12444%0.438CS..PPolyproline II helixtrans-60.4150.217600000111D118 P122 D291 T292D118-A120 PolarHBondContact O-N 2.96Å; D118-A120 VanDerWaalsContact O-N 3.17Å; A120-P122 WeakPolarHBondContact O-CD 3.37Å; A120-P122 VanDerWaalsContact O-N 3.14Å; A120-D291 HydrophobicContact CB-CB 4.11Å; A120-T292 WeakPolarHBondContact CB-OG1 3.14Å
121C90.7Very high84.2Confident50 Ų5078.4 Ų78.434%0.33841%0.409SS..PPolyproline II helixtrans-57.1120.9172.9-65.10000109.8C220C121-C220 WeakPolarHBondContact CA-SG 3.32Å; C121-C220 HydrophobicContact CB-CB 3.59Å; C121-C220 WeakPolarHBondContact CB-SG 3.16Å; C121-C220 WeakPolarHBondContact SG-CB 3.27Å; C121-C220 CovalentContact SG-SG 2.03Å; C121-C220 PolarHBondContact SG-SG 3.49Å
122P89.6Confident85.9Confident25 Ų2579 Ų7916%0.16241%0.409CS..PPolyproline II helixtrans-68.2142.7-17423.9-31.1000111.1Y119 A120 A124 P195 E217 F221Y119-P122 HydrophobicContact CE1-CG 4.43Å; A120-P122 WeakPolarHBondContact O-CD 3.37Å; A120-P122 VanDerWaalsContact O-N 3.14Å; P122-A124 PolarHBondContact O-N 3.13Å; P122-P195 HydrophobicContact CB-CB 4.18Å; P122-P195 HydrophobicContact CB-CG 4.13Å; P122-P195 HydrophobicContact CG-CB 3.87Å; P122-P195 HydrophobicContact CG-CG 3.86Å; P122-E217 HydrophobicContact CG-CG 3.87Å; P122-F221 HydrophobicContact CG-CE2 3.83Å; P122-F221 HydrophobicContact CG-CZ 3.85Å; P122-F221 WeakPolarHBondContact O-CZ 3.32Å
123K86.9Confident87.2Confident209 Ų20976.3 Ų76.391%0.90940%0.399SS*.  trans-77.9113.6165.6-63.6-175.9-177.7-178.80107.8
124A83.4Confident88Confident26 Ų2674.8 Ų74.822%0.21539%0.389CS..PPolyproline II helixtrans-70.6138.5-178.100000111.5P122 P195 A196 Q199P122-A124 PolarHBondContact O-N 3.13Å; A124-P195 HydrophobicContact CB-CB 4.2Å; A124-A196 HydrophobicContact CB-CB 4.11Å; A124-Q199 HydrophobicContact CB-CB 4.16Å
125S85.9Confident88.8Confident80 Ų8072.8 Ų72.856%0.55938%0.377SS*.PPolyproline II helixtrans-75.1158.1170.153.80000110.4L127 A196S125-L127 PolarHBondContact O-N 3.12Å; S125-A196 WeakPolarHBondContact O-CB 3.5Å
126K91.4Very high89.5Confident188 Ų18873.2 Ų73.282%0.81738%0.38SS*.PPolyproline II helixtrans-60.6133.9171.9-168178.6177.5-178.90110
127L92.9Very high90Very high15 Ų1570.3 Ų70.38%0.07937%0.367CS..PPolyproline II helixtrans-68.2146.6171.5-71.3170.4000110.3S125 Y131 L132 I135 P193 A196 I197 H200S125-L127 PolarHBondContact O-N 3.12Å; L127-Y131 HydrophobicContact CD2-CG 4.23Å; L127-L132 HydrophobicContact CB-CD2 4.05Å; L127-L132 HydrophobicContact CB-CG 4.06Å; L127-L132 HydrophobicContact CD1-CD2 4.16Å; L127-I135 HydrophobicContact CD1-CD1 3.78Å; L127-P193 HydrophobicContact CD2-CB 4.48Å; L127-P193 HydrophobicContact CD2-CG 3.79Å; L127-A196 HydrophobicContact CD2-CB 3.5Å; L127-A196 HydrophobicContact CG-CB 3.83Å; L127-I197 HydrophobicContact CD2-CG1 3.89Å; L127-H200 HydrophobicContact CD1-CB 4.48Å
128S93.7Very high90.1Very high60 Ų6074.5 Ų74.542%0.4239%0.388SS..PPolyproline II helixtrans-70162.5170.871.90000110.8D130 Y131 L132S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.96Å; S128-Y131 PolarHBondContact O-N 2.71Å; S128-Y131 VanDerWaalsContact O-N 3.13Å; S128-Y131 WeakPolarHBondContact OG-CD2 2.99Å; S128-L132 PolarHBondContact O-N 2.99Å
129N93.9Very high90.3Very high122 Ų12275.8 Ų75.865%0.65240%0.401SS*.Hα-helixtrans-59.1-38.4179.1-72.1-1.2000112.2Y131 L132 Q133N129-Y131 VanDerWaalsContact C-N 3.29Å; N129-Y131 PolarHBondContact O-N 3.17Å; N129-L132 PolarHBondContact O-N 3.44Å; N129-Q133 WeakPolarHBondContact O-CB 3.26Å; N129-Q133 PolarHBondContact O-N 2.93Å
130D91.7Very high90.4Very high110 Ų11074.8 Ų74.859%0.58840%0.4SS*.Hα-helixtrans-61.3-38.1177.4-61.74.9000112.1S128 F134S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.96Å; D130-F134 WeakPolarHBondContact O-CB 3.04Å; D130-F134 PolarHBondContact O-N 3.07Å
131Y92.4Very high90.7Very high18 Ų1880.8 Ų80.87%0.07142%0.423CS..Hα-helixtrans-70.4-41.5174.6-88.7-73.9000112.1L127 S128 N129 F134 I135 E189 P193 I197L127-Y131 HydrophobicContact CD2-CG 4.23Å; S128-Y131 PolarHBondContact O-N 2.71Å; S128-Y131 VanDerWaalsContact O-N 3.13Å; S128-Y131 WeakPolarHBondContact OG-CD2 2.99Å; N129-Y131 VanDerWaalsContact C-N 3.29Å; N129-Y131 PolarHBondContact O-N 3.17Å; Y131-F134 PolarHBondContact O-N 3.27Å; Y131-I135 HydrophobicContact CD1-CD1 4.44Å; Y131-I135 WeakPolarHBondContact O-CB 3.33Å; Y131-I135 WeakPolarHBondContact O-CD1 3.46Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.36Å; Y131-E189 PolarHBondContact OH-OE1 3.34Å; Y131-E189 PolarHBondContact OH-OE2 3.24Å; Y131-P193 HydrophobicContact CD2-CG 4.16Å; Y131-P193 HydrophobicContact CE1-CG 4.25Å; Y131-P193 HydrophobicContact CE2-CG 3.84Å; Y131-P193 WeakPolarHBondContact OH-CD 3.44Å; Y131-I197 HydrophobicContact CD1-CD1 4.05Å; Y131-I197 HydrophobicContact CD1-CG1 4.42Å; Y131-I197 HydrophobicContact CE1-CD1 3.68Å; Y131-I197 HydrophobicContact CE1-CG1 4.48Å
132L93.5Very high90.8Very high39 Ų3978.5 Ų78.520%0.20441%0.408CS..Hα-helixtrans-62.5-47.7176.8-69.5171.8000110.8L127 S128 N129 F134 I135 E136L127-L132 HydrophobicContact CB-CD2 4.05Å; L127-L132 HydrophobicContact CB-CG 4.06Å; L127-L132 HydrophobicContact CD1-CD2 4.16Å; S128-L132 PolarHBondContact O-N 2.99Å; N129-L132 PolarHBondContact O-N 3.44Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 2.9Å; L132-I135 PolarHBondContact O-N 3.44Å; L132-E136 WeakPolarHBondContact O-CA 2.94Å; L132-E136 WeakPolarHBondContact O-CB 3.46Å; L132-E136 WeakPolarHBondContact O-CG 3.39Å; L132-E136 PolarHBondContact O-N 3.32Å
133Q91.9Very high91.1Very high156 Ų15677.5 Ų77.573%0.72940%0.401SS*.Hα-helixtrans-58.9-40.6177.7-173.7177.63.100111.9N129 D137N129-Q133 WeakPolarHBondContact O-CB 3.26Å; N129-Q133 PolarHBondContact O-N 2.93Å; Q133-D137 PolarHBondContact O-N 2.84Å
134F91.1Very high91.5Very high32 Ų3267.5 Ų67.514%0.1436%0.358CS..Hα-helixtrans-66.9-47.9175.3-177.8-103.9000112D130 Y131 L132 H176 L177 H185 K187D130-F134 WeakPolarHBondContact O-CB 3.04Å; D130-F134 PolarHBondContact O-N 3.07Å; Y131-F134 PolarHBondContact O-N 3.27Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 2.9Å; F134-H176 HydrophobicContact CD1-CB 4.42Å; F134-H176 HydrophobicContact CE1-CB 3.71Å; F134-H176 HydrophobicContact CE2-CB 4.22Å; F134-H176 AromaticContact CE2-ND1 3.97Å; F134-H176 HydrophobicContact CZ-CB 3.6Å; F134-H176 PolarHBondContact O-CE1 3.01Å; F134-H176 PolarHBondContact O-ND1 3.44Å; F134-L177 WeakPolarHBondContact CZ-O 3.43Å; F134-H185 WeakPolarHBondContact CZ-O 3.37Å; F134-K187 HydrophobicContact CB-CD 4.21Å; F134-K187 HydrophobicContact CD1-CB 4.2Å; F134-K187 HydrophobicContact CD1-CD 4.13Å; F134-K187 HydrophobicContact CD2-CB 4.02Å; F134-K187 HydrophobicContact CD2-CD 4.28Å; F134-K187 HydrophobicContact CE1-CB 3.85Å; F134-K187 HydrophobicContact CE2-CB 3.67Å; F134-K187 HydrophobicContact CG-CB 4.27Å; F134-K187 HydrophobicContact CG-CD 3.95Å; F134-K187 HydrophobicContact CZ-CB 3.57Å
135I92.2Very high92.1Very high2 Ų266.3 Ų66.31%0.0135%0.348CS..Hα-helixtrans-74.9-34.9-174.3-69.2164.5000111.8L127 Y131 L132 T143 I197 H200 K202L127-I135 HydrophobicContact CD1-CD1 3.78Å; Y131-I135 HydrophobicContact CD1-CD1 4.44Å; Y131-I135 WeakPolarHBondContact O-CB 3.33Å; Y131-I135 WeakPolarHBondContact O-CD1 3.46Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.36Å; L132-I135 PolarHBondContact O-N 3.44Å; I135-T143 HydrophobicContact CG1-CG2 4.31Å; I135-I197 HydrophobicContact CD1-CB 4.49Å; I135-I197 HydrophobicContact CD1-CG1 4.19Å; I135-I197 HydrophobicContact CD1-CG2 3.91Å; I135-H200 HydrophobicContact CG2-CB 4.44Å; I135-H200 VanDerWaalsContact CG2-CE1 3.48Å; I135-H200 WeakPolarHBondContact CG2-CE1 3.33Å; I135-H200 WeakPolarHBondContact CG2-ND1 3.41Å; I135-K202 HydrophobicContact CG2-CB 3.96Å; I135-K202 WeakPolarHBondContact O-CD 3.29Å
136E93.3Very high92.5Very high97 Ų9763 Ų6345%0.45332%0.324SS..THydrogen-bonded Turntrans-88.12.3-173.9-63.2-175.2157.300114.3L132 N138 H200 K202L132-E136 WeakPolarHBondContact O-CA 2.94Å; L132-E136 WeakPolarHBondContact O-CB 3.46Å; L132-E136 WeakPolarHBondContact O-CG 3.39Å; L132-E136 PolarHBondContact O-N 3.32Å; E136-N138 PolarHBondContact O-N 3.26Å; E136-N138 PolarHBondContact O-OD1 3.39Å; E136-H200 IonicContact OE1-NE2 3.53Å; E136-K202 VanDerWaalsContact C-NZ 3.26Å; E136-K202 PolarHBondContact O-NZ 2.84Å
137D89.7Confident92.6Very high68 Ų6854.9 Ų54.936%0.36429%0.29SS..  trans-51.5130.3172.9-162.9-24.2000111.3Q133 S139 S140 H176 K202Q133-D137 PolarHBondContact O-N 2.84Å; D137-S139 PolarHBondContact OD1-N 3Å; D137-S139 PolarHBondContact OD1-OG 3.22Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 2.86Å; D137-S140 PolarHBondContact O-N 3.15Å; D137-H176 WeakPolarHBondContact CB-CE1 3.31Å; D137-H176 IonicContact OD2-CE1 3.48Å; D137-H176 PolarHBondContact OD2-CE1 3.39Å; D137-H176 IonicContact OD2-NE2 3.93Å; D137-K202 PolarHBondContact O-NZ 2.9Å
138N88.8Confident92.5Very high150 Ų15054.4 Ų54.480%0.80229%0.287SS*.THydrogen-bonded Turntrans-81.4-15.6-177.3-72.2-29.1000112.8E136 S140 K202E136-N138 PolarHBondContact O-N 3.26Å; E136-N138 PolarHBondContact O-OD1 3.39Å; N138-S140 PolarHBondContact O-N 3.45Å; N138-K202 PolarHBondContact OD1-NZ 3.02Å
139S88.5Confident92Very high94 Ų9452.9 Ų52.966%0.65728%0.281SS*.THydrogen-bonded Turntrans-73.4-16.4171.463.30000112.9D137D137-S139 PolarHBondContact OD1-N 3Å; D137-S139 PolarHBondContact OD1-OG 3.22Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 2.86Å
140S89.9Confident91.3Very high14 Ų1449.8 Ų49.810%0.09826%0.263CS..  trans-89.1138.6-177.5-174.10000112.5D137 N138 G142 H176D137-S140 PolarHBondContact O-N 3.15Å; N138-S140 PolarHBondContact O-N 3.45Å; S140-G142 PolarHBondContact O-N 2.92Å; S140-G142 PolarHBondContact OG-N 3.43Å; S140-G142 VanDerWaalsContact OG-N 3.12Å; S140-G142 PolarHBondContact OG-O 2.64Å; S140-H176 PolarHBondContact OG-N 2.71Å
141K92.4Very high90.4Very high141 Ų14146.3 Ų46.361%0.61324%0.243SC*.SBendtrans-74.5-13.7168.3-66.6-171.6-174.7178.30112.7Q174 Y175K141-Q174 WeakPolarHBondContact CB-O 3.47Å; K141-Q174 HydrophobicContact CD-CB 4.07Å; K141-Q174 HydrophobicContact CD-CG 3.91Å; K141-Q174 HydrophobicContact CG-CB 4.16Å; K141-Q174 HydrophobicContact CG-CG 4.4Å; K141-Q174 PolarHBondContact N-O 3.47Å; K141-Y175 HydrophobicContact CB-CD1 4.23Å; K141-Y175 HydrophobicContact CB-CE1 3.9Å
142G94.5Very high89.5Confident2 Ų245.7 Ų45.72%0.02124%0.242CC..  trans152.8171.5179.600000113.2S140 Y175 H176 K202S140-G142 PolarHBondContact O-N 2.92Å; S140-G142 PolarHBondContact OG-N 3.43Å; S140-G142 VanDerWaalsContact OG-N 3.12Å; S140-G142 PolarHBondContact OG-O 2.64Å; G142-Y175 WeakPolarHBondContact O-CA 3.46Å; G142-H176 PolarHBondContact O-N 3.49Å; G142-K202 CarbonylContact C-O 3.6Å; G142-K202 VanDerWaalsContact CA-O 3.23Å; G142-K202 WeakPolarHBondContact CA-O 3.45Å
143T95.5Very high88.7Confident4 Ų447 Ų473%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-96.5128.9179.1-54.20000110.5I135 V145 H176 I197 K202 T203 V204I135-T143 HydrophobicContact CG1-CG2 4.31Å; T143-V145 HydrophobicContact CG2-CG2 4.21Å; T143-H176 CarbonylContact C-O 3.58Å; T143-H176 WeakPolarHBondContact CA-O 3.31Å; T143-I197 HydrophobicContact CG2-CG2 4.27Å; T143-K202 PolarHBondContact N-O 2.73Å; T143-T203 WeakPolarHBondContact O-CA 3.45Å; T143-V204 WeakPolarHBondContact O-CG2 3.5Å; T143-V204 PolarHBondContact O-N 3.41Å
144V95.8Very high88.3Confident0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-103.2114.5168.7177.30000107.3Y175 H176 L177 N178 V204 L205 I207 I264V144-Y175 HydrophobicContact CG2-CD1 4.1Å; V144-Y175 HydrophobicContact CG2-CG 3.93Å; V144-H176 PolarHBondContact N-O 2.86Å; V144-L177 HydrophobicContact CB-CD2 3.74Å; V144-L177 HydrophobicContact CB-CG 4Å; V144-L177 HydrophobicContact CG1-CD2 3.79Å; V144-L177 HydrophobicContact CG2-CD2 4.32Å; V144-L177 WeakPolarHBondContact O-CA 3.24Å; V144-N178 PolarHBondContact O-OD1 2.81Å; V144-V204 HydrophobicContact CG2-CG2 4.27Å; V144-L205 WeakPolarHBondContact CA-O 3.39Å; V144-L205 HydrophobicContact CB-CB 4.43Å; V144-L205 HydrophobicContact CG1-CB 4.11Å; V144-L205 HydrophobicContact CG1-CD2 3.94Å; V144-L205 HydrophobicContact CG1-CG 4.22Å; V144-L205 HydrophobicContact CG2-CB 4.06Å; V144-L205 HydrophobicContact CG2-CD2 4.37Å; V144-I207 HydrophobicContact CG1-CD1 3.68Å; V144-I207 HydrophobicContact CG1-CG1 3.87Å; V144-I264 HydrophobicContact CG2-CG2 4.47Å
145V95.3Very high87.9Confident1 Ų150.6 Ų50.61%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-89.3138.9177.4-1720000109.5T143 N178 L194 I197 L198 T203 L205 F206 I207T143-V145 HydrophobicContact CG2-CG2 4.21Å; V145-N178 VanDerWaalsContact CA-OD1 3.3Å; V145-N178 WeakPolarHBondContact CA-OD1 3.38Å; V145-L194 HydrophobicContact CG1-CD1 3.59Å; V145-I197 HydrophobicContact CG2-CB 4.22Å; V145-I197 HydrophobicContact CG2-CG2 3.31Å; V145-L198 HydrophobicContact CG2-CD2 4.42Å; V145-T203 HydrophobicContact CG2-CG2 3.81Å; V145-L205 PolarHBondContact N-O 3.08Å; V145-F206 HydrophobicContact CB-CD2 4.1Å; V145-F206 HydrophobicContact CG1-CD2 4.22Å; V145-F206 HydrophobicContact CG1-CE2 4.37Å; V145-F206 CarbonylContact O-C 3.49Å; V145-F206 WeakPolarHBondContact O-CA 3.35Å; V145-I207 PolarHBondContact O-N 3.15Å
146F93.8Very high87.5Confident11 Ų1152.5 Ų52.55%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-125.1115178.7179.6-89.1000108.9F148 W154 F165 F169 N178 M179 I207F146-F148 HydrophobicContact CD1-CD2 4.32Å; F146-F148 HydrophobicContact CD2-CD2 4.49Å; F146-F148 AromaticContact CD2-CE2 3.91Å; F146-F148 HydrophobicContact CD2-CE2 3.91Å; F146-F148 AromaticContact CE1-CD2 3.8Å; F146-F148 HydrophobicContact CE1-CD2 3.8Å; F146-F148 AromaticContact CE1-CE2 3.98Å; F146-F148 HydrophobicContact CE1-CE2 3.98Å; F146-F148 HydrophobicContact CE2-CD2 4.02Å; F146-F148 AromaticContact CE2-CE2 3.32Å; F146-F148 HydrophobicContact CE2-CE2 3.32Å; F146-F148 HydrophobicContact CE2-CZ 4.1Å; F146-F148 HydrophobicContact CG-CE2 4.48Å; F146-F148 AromaticContact CZ-CD2 3.68Å; F146-F148 HydrophobicContact CZ-CD2 3.68Å; F146-F148 AromaticContact CZ-CE2 3.39Å; F146-F148 HydrophobicContact CZ-CE2 3.39Å; F146-F148 HydrophobicContact CZ-CZ 4.2Å; F146-W154 HydrophobicContact CE1-CD2 4.43Å; F146-W154 AromaticContact CE1-CE2 3.66Å; F146-W154 HydrophobicContact CE1-CH2 4.14Å; F146-W154 AromaticContact CE1-CZ2 3.53Å; F146-W154 HydrophobicContact CE1-CZ2 3.53Å; F146-W154 AromaticContact CE1-NE1 3.91Å; F146-W154 HydrophobicContact CE2-CH2 4.34Å; F146-W154 HydrophobicContact CE2-CZ2 4.27Å; F146-W154 AromaticContact CZ-CE2 3.77Å; F146-W154 AromaticContact CZ-CH2 3.39Å; F146-W154 HydrophobicContact CZ-CH2 3.39Å; F146-W154 AromaticContact CZ-CZ2 3.14Å; F146-W154 HydrophobicContact CZ-CZ2 3.14Å; F146-W154 HydrophobicContact CZ-CZ3 4.16Å; F146-F165 HydrophobicContact CD2-CD1 4.41Å; F146-F165 HydrophobicContact CD2-CE1 4.47Å; F146-F165 AromaticContact CE2-CD1 3.67Å; F146-F165 HydrophobicContact CE2-CD1 3.67Å; F146-F165 HydrophobicContact CE2-CD2 4.22Å; F146-F165 AromaticContact CE2-CE1 3.71Å; F146-F165 HydrophobicContact CE2-CE1 3.71Å; F146-F165 HydrophobicContact CE2-CE2 4.24Å; F146-F165 AromaticContact CE2-CG 3.94Å; F146-F165 HydrophobicContact CE2-CG 3.94Å; F146-F165 AromaticContact CE2-CZ 3.99Å; F146-F165 HydrophobicContact CE2-CZ 3.99Å; F146-F165 HydrophobicContact CZ-CD2 4.35Å; F146-F165 HydrophobicContact CZ-CG 4.35Å; F146-F169 HydrophobicContact CD2-CE2 4.08Å; F146-F169 AromaticContact CD2-CZ 3.65Å; F146-F169 HydrophobicContact CD2-CZ 3.65Å; F146-F169 HydrophobicContact CE2-CE2 4.38Å; F146-F169 HydrophobicContact CE2-CZ 4.02Å; F146-F169 HydrophobicContact CG-CE2 4.38Å; F146-F169 HydrophobicContact CG-CZ 4.31Å; F146-N178 PolarHBondContact N-OD1 3.2Å; F146-N178 PolarHBondContact O-ND2 2.56Å; F146-M179 HydrophobicContact CD1-CB 4.32Å; F146-M179 HydrophobicContact CD1-CG 3.79Å; F146-M179 HydrophobicContact CD1-SD 3.86Å; F146-M179 HydrophobicContact CD2-SD 4.38Å; F146-M179 HydrophobicContact CE1-CG 3.64Å; F146-M179 HydrophobicContact CE1-SD 3.24Å; F146-M179 WeakPolarHBondContact CE1-SD 3.46Å; F146-M179 HydrophobicContact CE2-SD 3.82Å; F146-M179 HydrophobicContact CG-CG 4.48Å; F146-M179 HydrophobicContact CG-SD 4.37Å; F146-M179 HydrophobicContact CZ-CG 4.2Å; F146-M179 HydrophobicContact CZ-SD 3.17Å; F146-M179 WeakPolarHBondContact CZ-SD 3.38Å; F146-I207 WeakPolarHBondContact CA-O 3.34Å; F146-I207 HydrophobicContact CB-CB 4.5Å; F146-I207 HydrophobicContact CD2-CB 3.73Å; F146-I207 HydrophobicContact CD2-CD1 4.11Å; F146-I207 HydrophobicContact CD2-CG2 3.62Å; F146-I207 HydrophobicContact CE2-CG2 3.9Å
147S92.9Very high87.1Confident16 Ų1648.4 Ų48.411%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-151.4127.9178.2-176.40000112.3I207 T208S147-I207 PolarHBondContact N-O 3.39Å; S147-T208 WeakPolarHBondContact O-CA 3.4Å; S147-T208 PolarHBondContact O-OG1 3.36Å
148F91.1Very high87.1Confident5 Ų546.4 Ų46.42%0.02224%0.244CC..  trans-111.915-178.7-79.1-117.2000112.7W91 F146 W154 F165 I207 H209 V228 L230W91-F148 HydrophobicContact CH2-CD1 4.44Å; F146-F148 HydrophobicContact CD1-CD2 4.32Å; F146-F148 HydrophobicContact CD2-CD2 4.49Å; F146-F148 AromaticContact CD2-CE2 3.91Å; F146-F148 HydrophobicContact CD2-CE2 3.91Å; F146-F148 AromaticContact CE1-CD2 3.8Å; F146-F148 HydrophobicContact CE1-CD2 3.8Å; F146-F148 AromaticContact CE1-CE2 3.98Å; F146-F148 HydrophobicContact CE1-CE2 3.98Å; F146-F148 HydrophobicContact CE2-CD2 4.02Å; F146-F148 AromaticContact CE2-CE2 3.32Å; F146-F148 HydrophobicContact CE2-CE2 3.32Å; F146-F148 HydrophobicContact CE2-CZ 4.1Å; F146-F148 HydrophobicContact CG-CE2 4.48Å; F146-F148 AromaticContact CZ-CD2 3.68Å; F146-F148 HydrophobicContact CZ-CD2 3.68Å; F146-F148 AromaticContact CZ-CE2 3.39Å; F146-F148 HydrophobicContact CZ-CE2 3.39Å; F146-F148 HydrophobicContact CZ-CZ 4.2Å; F148-W154 HydrophobicContact CB-CZ2 4.22Å; F148-W154 AromaticContact CD1-CZ2 3.79Å; F148-W154 HydrophobicContact CD1-CZ2 3.79Å; F148-W154 AromaticContact CD2-CZ2 3.6Å; F148-W154 HydrophobicContact CD2-CZ2 3.6Å; F148-W154 HydrophobicContact CE1-CH2 4.45Å; F148-W154 AromaticContact CE1-CZ2 3.97Å; F148-W154 HydrophobicContact CE1-CZ2 3.97Å; F148-W154 HydrophobicContact CE2-CH2 4.47Å; F148-W154 AromaticContact CE2-CZ2 3.82Å; F148-W154 HydrophobicContact CE2-CZ2 3.82Å; F148-W154 AromaticContact CG-CZ2 3.59Å; F148-W154 HydrophobicContact CG-CZ2 3.59Å; F148-W154 HydrophobicContact CZ-CH2 4.35Å; F148-W154 AromaticContact CZ-CZ2 3.98Å; F148-W154 HydrophobicContact CZ-CZ2 3.98Å; F148-F165 HydrophobicContact CZ-CE2 4.5Å; F148-F165 HydrophobicContact CZ-CZ 4.2Å; F148-I207 HydrophobicContact CE2-CG2 4.13Å; F148-I207 HydrophobicContact CZ-CG2 4.47Å; F148-H209 VanDerWaalsContact CA-ND1 3.35Å; F148-H209 WeakPolarHBondContact CA-ND1 3.27Å; F148-H209 HydrophobicContact CD1-CB 3.75Å; F148-H209 HydrophobicContact CE1-CB 4.15Å; F148-H209 HydrophobicContact CG-CB 4.36Å; F148-H209 PolarHBondContact O-CE1 3.36Å; F148-H209 PolarHBondContact O-ND1 2.84Å; F148-V228 HydrophobicContact CE1-CB 3.82Å; F148-V228 HydrophobicContact CE1-CG1 4.19Å; F148-V228 HydrophobicContact CZ-CB 3.73Å; F148-V228 HydrophobicContact CZ-CG1 4.37Å; F148-V228 HydrophobicContact CZ-CG2 4.09Å; F148-L230 HydrophobicContact CD1-CD1 3.99Å; F148-L230 HydrophobicContact CD1-CD2 4.46Å; F148-L230 HydrophobicContact CD1-CG 4.27Å; F148-L230 HydrophobicContact CE1-CD2 4.36Å
149G84.6Confident87.2Confident28 Ų2843.9 Ų43.929%0.28923%0.234SC..  trans64.9-156.5173.200000113.8
150H78.9Confident87.3Confident57 Ų5746.5 Ų46.526%0.26424%0.235SC..SBendtrans-77.4-27.2-175.7-69.971.5000113A30 P31 S32 W191A30-H150 HydrophobicContact CB-CB 4.46Å; P31-H150 WeakPolarHBondContact CB-NE2 3.44Å; P31-H150 WeakPolarHBondContact CD-NE2 3.26Å; S32-H150 WeakPolarHBondContact CB-CE1 3.48Å; S32-H150 WeakPolarHBondContact CB-ND1 3.34Å; S32-H150 PolarHBondContact N-CE1 2.81Å; S32-H150 PolarHBondContact N-NE2 2.84Å; S32-H150 PolarHBondContact OG-ND1 2.96Å; H150-W191 AromaticContact CD2-CZ2 3.66Å; H150-W191 AromaticContact CE1-CH2 3.13Å; H150-W191 WeakPolarHBondContact CE1-CH2 3.29Å; H150-W191 AromaticContact CE1-CZ2 3.32Å; H150-W191 WeakPolarHBondContact CE1-CZ2 3.48Å; H150-W191 AromaticContact CG-CH2 3.88Å; H150-W191 AromaticContact CG-CZ2 3.86Å; H150-W191 AromaticContact ND1-CH2 3.29Å; H150-W191 VanDerWaalsContact ND1-CH2 3.29Å; H150-W191 WeakPolarHBondContact ND1-CH2 3.13Å; H150-W191 AromaticContact ND1-CZ2 3.69Å; H150-W191 AromaticContact NE2-CH2 3.71Å; H150-W191 AromaticContact NE2-CZ2 3.37Å; H150-W191 WeakPolarHBondContact NE2-CZ2 3.32Å
151F72.6Confident87.4Confident38 Ų3846.2 Ų46.217%0.16723%0.233CC..SBendtrans-114101.4-174.2-57-56.5000108.9A30 A81 V82 F231A30-F151 HydrophobicContact CB-CE2 4.27Å; A30-F151 HydrophobicContact CB-CZ 4Å; A81-F151 HydrophobicContact CB-CE1 3.79Å; A81-F151 HydrophobicContact CB-CZ 3.76Å; V82-F151 HydrophobicContact CB-CD1 3.99Å; V82-F151 HydrophobicContact CB-CE1 4.36Å; V82-F151 HydrophobicContact CG2-CB 4.39Å; V82-F151 HydrophobicContact CG2-CD1 3.29Å; V82-F151 HydrophobicContact CG2-CE1 3.67Å; V82-F151 HydrophobicContact CG2-CG 3.95Å; F151-F231 HydrophobicContact CB-CE1 3.68Å; F151-F231 HydrophobicContact CB-CZ 3.46Å; F151-F231 VanDerWaalsContact CB-CZ 3.46Å; F151-F231 HydrophobicContact CD2-CZ 4.08Å; F151-F231 AromaticContact CG-CZ 3.98Å; F151-F231 HydrophobicContact CG-CZ 3.98Å
152G72.5Confident87.3Confident5 Ų541 Ų415%0.05221%0.213CC..  trans151.951.8-165.700000110.2W154G152-W154 PolarHBondContact O-N 3.17Å
153N77.7Confident87.2Confident65 Ų6545.9 Ų45.935%0.34824%0.235SC..  trans-67.2105-176.5-174.5-11.3000110.4E87 K155 I156 A157E87-N153 HydrophobicContact CG-CB 4.41Å; E87-N153 PolarHBondContact OE2-N 3.42Å; N153-K155 PolarHBondContact O-N 3.22Å; N153-K155 VanDerWaalsContact O-N 3.15Å; N153-K155 VanDerWaalsContact OD1-CB 3.27Å; N153-K155 WeakPolarHBondContact OD1-CB 3.35Å; N153-K155 PolarHBondContact OD1-N 2.81Å; N153-I156 HydrophobicContact CB-CB 4.44Å; N153-I156 HydrophobicContact CB-CD1 4.12Å; N153-I156 HydrophobicContact CB-CG1 4.38Å; N153-I156 WeakPolarHBondContact ND2-CD1 3.39Å; N153-I156 PolarHBondContact O-N 2.76Å; N153-A157 PolarHBondContact O-N 3.46Å; N153-A157 VanDerWaalsContact O-N 3.09Å
154W84.1Confident87.2Confident65 Ų6545.9 Ų45.925%0.24624%0.235CC..THydrogen-bonded Turntrans-63-18.6-179.9-72.994.3000114W91 F146 F148 G152 I156 A157 V161 V162 F165 M179W91-W154 AromaticContact CH2-CH2 3.71Å; W91-W154 HydrophobicContact CH2-CH2 3.71Å; W91-W154 AromaticContact CH2-CZ2 3.82Å; W91-W154 HydrophobicContact CH2-CZ2 3.82Å; W91-W154 HydrophobicContact CH2-CZ3 4.15Å; W91-W154 HydrophobicContact CZ2-CZ2 4.43Å; W91-W154 HydrophobicContact CZ3-CH2 4.43Å; F146-W154 HydrophobicContact CE1-CD2 4.43Å; F146-W154 AromaticContact CE1-CE2 3.66Å; F146-W154 HydrophobicContact CE1-CH2 4.14Å; F146-W154 AromaticContact CE1-CZ2 3.53Å; F146-W154 HydrophobicContact CE1-CZ2 3.53Å; F146-W154 AromaticContact CE1-NE1 3.91Å; F146-W154 HydrophobicContact CE2-CH2 4.34Å; F146-W154 HydrophobicContact CE2-CZ2 4.27Å; F146-W154 AromaticContact CZ-CE2 3.77Å; F146-W154 AromaticContact CZ-CH2 3.39Å; F146-W154 HydrophobicContact CZ-CH2 3.39Å; F146-W154 AromaticContact CZ-CZ2 3.14Å; F146-W154 HydrophobicContact CZ-CZ2 3.14Å; F146-W154 HydrophobicContact CZ-CZ3 4.16Å; F148-W154 HydrophobicContact CB-CZ2 4.22Å; F148-W154 AromaticContact CD1-CZ2 3.79Å; F148-W154 HydrophobicContact CD1-CZ2 3.79Å; F148-W154 AromaticContact CD2-CZ2 3.6Å; F148-W154 HydrophobicContact CD2-CZ2 3.6Å; F148-W154 HydrophobicContact CE1-CH2 4.45Å; F148-W154 AromaticContact CE1-CZ2 3.97Å; F148-W154 HydrophobicContact CE1-CZ2 3.97Å; F148-W154 HydrophobicContact CE2-CH2 4.47Å; F148-W154 AromaticContact CE2-CZ2 3.82Å; F148-W154 HydrophobicContact CE2-CZ2 3.82Å; F148-W154 AromaticContact CG-CZ2 3.59Å; F148-W154 HydrophobicContact CG-CZ2 3.59Å; F148-W154 HydrophobicContact CZ-CH2 4.35Å; F148-W154 AromaticContact CZ-CZ2 3.98Å; F148-W154 HydrophobicContact CZ-CZ2 3.98Å; G152-W154 PolarHBondContact O-N 3.17Å; W154-I156 VanDerWaalsContact C-N 3.28Å; W154-A157 HydrophobicContact CE3-CB 4.12Å; W154-A157 HydrophobicContact CZ3-CB 4.5Å; W154-V161 HydrophobicContact CH2-CG1 4.28Å; W154-V161 HydrophobicContact CZ3-CG1 4.02Å; W154-V162 HydrophobicContact CE3-CG2 4.18Å; W154-F165 AromaticContact CH2-CD2 3.8Å; W154-F165 HydrophobicContact CH2-CD2 3.8Å; W154-F165 AromaticContact CH2-CE2 3.81Å; W154-F165 HydrophobicContact CH2-CE2 3.81Å; W154-F165 HydrophobicContact CZ3-CD2 4.03Å; W154-F165 HydrophobicContact CZ3-CE2 4.43Å; W154-M179 HydrophobicContact CZ3-SD 4.44Å
155K82.4Confident87.1Confident199 Ų19945.9 Ų45.987%0.86524%0.235SC*.THydrogen-bonded Turntrans-72-23.5171.7-59.3-179.6177.8178.60112.7N153N153-K155 PolarHBondContact O-N 3.22Å; N153-K155 VanDerWaalsContact O-N 3.15Å; N153-K155 VanDerWaalsContact OD1-CB 3.27Å; N153-K155 WeakPolarHBondContact OD1-CB 3.35Å; N153-K155 PolarHBondContact OD1-N 2.81Å
156I82.3Confident86.9Confident43 Ų4346.7 Ų46.722%0.22124%0.241CC..THydrogen-bonded Turntrans-101.5-18.3-179.6-60.4169.6000111.2Q84 E87 N153 W154Q84-I156 HydrophobicContact CG-CD1 4.24Å; E87-I156 HydrophobicContact CB-CB 4.42Å; E87-I156 HydrophobicContact CB-CD1 3.9Å; E87-I156 HydrophobicContact CB-CG2 3.9Å; E87-I156 HydrophobicContact CG-CD1 3.89Å; N153-I156 HydrophobicContact CB-CB 4.44Å; N153-I156 HydrophobicContact CB-CD1 4.12Å; N153-I156 HydrophobicContact CB-CG1 4.38Å; N153-I156 WeakPolarHBondContact ND2-CD1 3.39Å; N153-I156 PolarHBondContact O-N 2.76Å; W154-I156 VanDerWaalsContact C-N 3.28Å
157A86.6Confident86.8Confident11 Ų1147.9 Ų47.99%0.09125%0.251CS..SBendtrans-53141.3177.300000111.5W91 N153 W154 T159 V162W91-A157 HydrophobicContact CD2-CB 3.98Å; W91-A157 HydrophobicContact CE3-CB 4.4Å; W91-A157 HydrophobicContact CH2-CB 4.16Å; W91-A157 HydrophobicContact CZ2-CB 3.71Å; W91-A157 HydrophobicContact CZ3-CB 4.49Å; N153-A157 PolarHBondContact O-N 3.46Å; N153-A157 VanDerWaalsContact O-N 3.09Å; W154-A157 HydrophobicContact CE3-CB 4.12Å; W154-A157 HydrophobicContact CZ3-CB 4.5Å; A157-T159 PolarHBondContact O-N 3.48Å; A157-V162 HydrophobicContact CB-CG2 4.05Å
158P89.7Confident86.8Confident26 Ų2647.1 Ų47.117%0.16925%0.246CC..  trans-56138.2176.2-2432.3000111.3W91 Q160 V161 V162W91-P158 HydrophobicContact CB-CG 4.11Å; P158-Q160 PolarHBondContact O-N 2.94Å; P158-Q160 VanDerWaalsContact O-N 3.11Å; P158-V161 HydrophobicContact CB-CG2 4.14Å; P158-V161 HydrophobicContact CG-CG2 4.2Å; P158-V161 WeakPolarHBondContact O-CA 3.34Å; P158-V161 WeakPolarHBondContact O-CB 3.35Å; P158-V161 PolarHBondContact O-N 3.33Å; P158-V162 PolarHBondContact O-N 2.95Å
159T89.9Confident86.8Confident97 Ų9746.9 Ų46.960%0.59525%0.245SC*.Hα-helixtrans-51.1-41.4-179.8-46.90000112.2A157 V161 V162 E163A157-T159 PolarHBondContact O-N 3.48Å; T159-V161 VanDerWaalsContact C-N 3.27Å; T159-V161 PolarHBondContact O-N 3.44Å; T159-V162 PolarHBondContact O-N 3.07Å; T159-V162 VanDerWaalsContact O-N 3.15Å; T159-E163 HydrophobicContact CG2-CG 4.21Å; T159-E163 WeakPolarHBondContact CG2-OE1 3.43Å; T159-E163 WeakPolarHBondContact O-CB 3.39Å; T159-E163 WeakPolarHBondContact O-CG 3.28Å; T159-E163 PolarHBondContact O-N 3.19Å
160Q90.9Very high87Confident148 Ų14849.6 Ų49.669%0.69225%0.25SC*.Hα-helixtrans-57.5-36.1177-65.4163.6-7.500113.2P158 A164P158-Q160 PolarHBondContact O-N 2.94Å; P158-Q160 VanDerWaalsContact O-N 3.11Å; Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.43Å; Q160-A164 PolarHBondContact O-N 3.28Å
161V91.8Very high87.6Confident9 Ų950.8 Ų50.86%0.05526%0.258CS..Hα-helixtrans-72.7-44.1177.9172.30000110.3W91 W154 P158 T159 A164 F165 L255W91-V161 HydrophobicContact CE3-CG1 4.32Å; W91-V161 HydrophobicContact CH2-CG1 4.42Å; W91-V161 HydrophobicContact CZ3-CG1 3.77Å; W154-V161 HydrophobicContact CH2-CG1 4.28Å; W154-V161 HydrophobicContact CZ3-CG1 4.02Å; P158-V161 HydrophobicContact CB-CG2 4.14Å; P158-V161 HydrophobicContact CG-CG2 4.2Å; P158-V161 WeakPolarHBondContact O-CA 3.34Å; P158-V161 WeakPolarHBondContact O-CB 3.35Å; P158-V161 PolarHBondContact O-N 3.33Å; T159-V161 VanDerWaalsContact C-N 3.27Å; T159-V161 PolarHBondContact O-N 3.44Å; V161-A164 PolarHBondContact O-N 2.9Å; V161-F165 HydrophobicContact CG1-CD2 4.27Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.31Å; V161-F165 PolarHBondContact O-N 3.38Å; V161-L255 HydrophobicContact CB-CD1 4.39Å; V161-L255 HydrophobicContact CG1-CD1 3.68Å; V161-L255 HydrophobicContact CG2-CD1 4.2Å
162V91.3Very high88.4Confident30 Ų3049 Ų4918%0.18225%0.25CC..Hα-helixtrans-61.2-47.9176.5-176.30000110.3W154 A157 P158 T159 A164 F165 S166W154-V162 HydrophobicContact CE3-CG2 4.18Å; A157-V162 HydrophobicContact CB-CG2 4.05Å; P158-V162 PolarHBondContact O-N 2.95Å; T159-V162 PolarHBondContact O-N 3.07Å; T159-V162 VanDerWaalsContact O-N 3.15Å; V162-A164 PolarHBondContact O-N 2.89Å; V162-F165 PolarHBondContact O-N 3.14Å; V162-S166 PolarHBondContact O-N 2.55Å; V162-S166 PolarHBondContact O-OG 3.18Å
163E91.8Very high89.1Confident106 Ų10652.7 Ų52.750%0.49527%0.273SS..Hα-helixtrans-61.9-38.5178.1-75.3173.6176.300112.8T159 F165 S166 S167T159-E163 HydrophobicContact CG2-CG 4.21Å; T159-E163 WeakPolarHBondContact CG2-OE1 3.43Å; T159-E163 WeakPolarHBondContact O-CB 3.39Å; T159-E163 WeakPolarHBondContact O-CG 3.28Å; T159-E163 PolarHBondContact O-N 3.19Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.22Å; E163-S166 WeakPolarHBondContact CA-OG 3.38Å; E163-S166 PolarHBondContact O-OG 2.73Å; E163-S167 WeakPolarHBondContact O-CB 3.29Å; E163-S167 PolarHBondContact O-N 3.25Å; E163-S167 PolarHBondContact O-OG 3.14Å
164A94.4Very high89.6Confident3 Ų351.8 Ų51.83%0.02527%0.267CS..Hα-helixtrans-60.3-41.7177.100000112Q160 V161 V162 A168 L255 V260Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.43Å; Q160-A164 PolarHBondContact O-N 3.28Å; V161-A164 PolarHBondContact O-N 2.9Å; V162-A164 PolarHBondContact O-N 2.89Å; A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 2.87Å; A164-L255 HydrophobicContact CB-CB 3.93Å; A164-V260 HydrophobicContact CB-CG2 4.28Å
165F93.7Very high89.7Confident0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-77-50.5177-78.2-69000112.4F146 F148 W154 V161 V162 E163 S167 A168 F169 M179 I207 V228 L255 V260F146-F165 HydrophobicContact CD2-CD1 4.41Å; F146-F165 HydrophobicContact CD2-CE1 4.47Å; F146-F165 AromaticContact CE2-CD1 3.67Å; F146-F165 HydrophobicContact CE2-CD1 3.67Å; F146-F165 HydrophobicContact CE2-CD2 4.22Å; F146-F165 AromaticContact CE2-CE1 3.71Å; F146-F165 HydrophobicContact CE2-CE1 3.71Å; F146-F165 HydrophobicContact CE2-CE2 4.24Å; F146-F165 AromaticContact CE2-CG 3.94Å; F146-F165 HydrophobicContact CE2-CG 3.94Å; F146-F165 AromaticContact CE2-CZ 3.99Å; F146-F165 HydrophobicContact CE2-CZ 3.99Å; F146-F165 HydrophobicContact CZ-CD2 4.35Å; F146-F165 HydrophobicContact CZ-CG 4.35Å; F148-F165 HydrophobicContact CZ-CE2 4.5Å; F148-F165 HydrophobicContact CZ-CZ 4.2Å; W154-F165 AromaticContact CH2-CD2 3.8Å; W154-F165 HydrophobicContact CH2-CD2 3.8Å; W154-F165 AromaticContact CH2-CE2 3.81Å; W154-F165 HydrophobicContact CH2-CE2 3.81Å; W154-F165 HydrophobicContact CZ3-CD2 4.03Å; W154-F165 HydrophobicContact CZ3-CE2 4.43Å; V161-F165 HydrophobicContact CG1-CD2 4.27Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.31Å; V161-F165 PolarHBondContact O-N 3.38Å; V162-F165 PolarHBondContact O-N 3.14Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.22Å; F165-S167 PolarHBondContact O-N 3.17Å; F165-A168 PolarHBondContact O-N 3.26Å; F165-F169 HydrophobicContact CB-CE2 4.07Å; F165-F169 HydrophobicContact CB-CZ 4.09Å; F165-F169 HydrophobicContact CD1-CE1 4.01Å; F165-F169 HydrophobicContact CD1-CE2 4.42Å; F165-F169 AromaticContact CD1-CZ 3.65Å; F165-F169 HydrophobicContact CD1-CZ 3.65Å; F165-F169 HydrophobicContact CG-CZ 4.28Å; F165-F169 WeakPolarHBondContact O-CD1 3.13Å; F165-F169 WeakPolarHBondContact O-CD2 3.26Å; F165-F169 WeakPolarHBondContact O-CG 3.42Å; F165-F169 PolarHBondContact O-N 2.65Å; F165-M179 HydrophobicContact CB-CE 3.34Å; F165-M179 HydrophobicContact CB-SD 3.84Å; F165-M179 HydrophobicContact CG-CE 4.44Å; F165-M179 HydrophobicContact CG-SD 4.41Å; F165-I207 HydrophobicContact CE1-CG2 3.97Å; F165-I207 HydrophobicContact CZ-CG2 4.46Å; F165-V228 HydrophobicContact CZ-CG2 3.78Å; F165-L255 HydrophobicContact CE2-CD1 3.75Å; F165-L255 HydrophobicContact CZ-CD1 4.27Å; F165-V260 HydrophobicContact CD1-CB 4.41Å; F165-V260 HydrophobicContact CD1-CG1 3.53Å; F165-V260 HydrophobicContact CD1-CG2 3.93Å; F165-V260 HydrophobicContact CE1-CG1 3.85Å; F165-V260 HydrophobicContact CE1-CG2 3.91Å; F165-V260 HydrophobicContact CG-CG1 4.46Å; F165-V260 HydrophobicContact CG-CG2 4.38Å; F165-V260 HydrophobicContact CZ-CG2 4.36Å
166S91.4Very high89.7Confident19 Ų1940 Ų4013%0.13322%0.218CC..Hα-helixtrans-58.6-48.2-177.561.80000111.3V162 E163 A168 F169 E170 V180V162-S166 PolarHBondContact O-N 2.55Å; V162-S166 PolarHBondContact O-OG 3.18Å; E163-S166 WeakPolarHBondContact CA-OG 3.38Å; E163-S166 PolarHBondContact O-OG 2.73Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 2.8Å; S166-F169 PolarHBondContact O-N 3.16Å; S166-F169 VanDerWaalsContact O-N 3.17Å; S166-E170 WeakPolarHBondContact O-CG 3.49Å; S166-E170 PolarHBondContact O-N 2.98Å; S166-V180 WeakPolarHBondContact CB-O 3.4Å
167S91.6Very high89.6Confident36 Ų3638 Ų3825%0.25221%0.207SC..Hα-helixtrans-67.4-30.2-179.2-47.40000112.8E163 F165 K257E163-S167 WeakPolarHBondContact O-CB 3.29Å; E163-S167 PolarHBondContact O-N 3.25Å; E163-S167 PolarHBondContact O-OG 3.14Å; F165-S167 PolarHBondContact O-N 3.17Å; S167-K257 VanDerWaalsContact O-CE 3.28Å; S167-K257 WeakPolarHBondContact O-CE 3.35Å
168A93.2Very high89Confident0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-73.5-35.9174.600000111.8A164 F165 S166 D171 L172 K257 V260 H261A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 2.87Å; F165-A168 PolarHBondContact O-N 3.26Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 2.8Å; A168-D171 PolarHBondContact O-N 3.38Å; A168-L172 WeakPolarHBondContact O-CD1 3.49Å; A168-L172 WeakPolarHBondContact O-CG 2.91Å; A168-L172 PolarHBondContact O-N 2.96Å; A168-K257 HydrophobicContact CB-CG 4.42Å; A168-V260 HydrophobicContact CB-CB 3.78Å; A168-V260 HydrophobicContact CB-CG1 3.55Å; A168-H261 HydrophobicContact CB-CB 4.23Å
169F92.5Very high87.8Confident0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-71.1-33.2178.2-62-12.9000112.3F146 F165 S166 D171 L172 L177 M179 H185 I207 V260 I264F146-F169 HydrophobicContact CD2-CE2 4.08Å; F146-F169 AromaticContact CD2-CZ 3.65Å; F146-F169 HydrophobicContact CD2-CZ 3.65Å; F146-F169 HydrophobicContact CE2-CE2 4.38Å; F146-F169 HydrophobicContact CE2-CZ 4.02Å; F146-F169 HydrophobicContact CG-CE2 4.38Å; F146-F169 HydrophobicContact CG-CZ 4.31Å; F165-F169 HydrophobicContact CB-CE2 4.07Å; F165-F169 HydrophobicContact CB-CZ 4.09Å; F165-F169 HydrophobicContact CD1-CE1 4.01Å; F165-F169 HydrophobicContact CD1-CE2 4.42Å; F165-F169 AromaticContact CD1-CZ 3.65Å; F165-F169 HydrophobicContact CD1-CZ 3.65Å; F165-F169 HydrophobicContact CG-CZ 4.28Å; F165-F169 WeakPolarHBondContact O-CD1 3.13Å; F165-F169 WeakPolarHBondContact O-CD2 3.26Å; F165-F169 WeakPolarHBondContact O-CG 3.42Å; F165-F169 PolarHBondContact O-N 2.65Å; S166-F169 PolarHBondContact O-N 3.16Å; S166-F169 VanDerWaalsContact O-N 3.17Å; F169-D171 VanDerWaalsContact C-N 3.29Å; F169-D171 PolarHBondContact O-N 3.24Å; F169-L172 PolarHBondContact O-N 3.36Å; F169-L177 HydrophobicContact CB-CD1 4.27Å; F169-L177 HydrophobicContact CB-CD2 4.24Å; F169-L177 HydrophobicContact CD1-CD2 3.41Å; F169-L177 VanDerWaalsContact CD1-CD2 3.41Å; F169-L177 HydrophobicContact CD2-CD2 4.29Å; F169-L177 HydrophobicContact CE1-CD2 3.68Å; F169-L177 HydrophobicContact CG-CD2 3.73Å; F169-L177 HydrophobicContact CZ-CD2 4.25Å; F169-M179 HydrophobicContact CD2-CB 3.68Å; F169-M179 HydrophobicContact CD2-CE 4.29Å; F169-M179 HydrophobicContact CE2-CB 3.44Å; F169-M179 VanDerWaalsContact CE2-CB 3.44Å; F169-M179 HydrophobicContact CE2-CE 4.01Å; F169-M179 HydrophobicContact CE2-CG 4.14Å; F169-M179 HydrophobicContact CE2-SD 3.75Å; F169-H185 PolarHBondContact O-NE2 3.09Å; F169-I207 HydrophobicContact CE1-CD1 3.7Å; F169-I207 HydrophobicContact CZ-CD1 3.79Å; F169-V260 HydrophobicContact CE1-CG1 4.26Å; F169-I264 HydrophobicContact CD1-CD1 3.98Å; F169-I264 HydrophobicContact CE1-CD1 3.61Å
170E88.7Confident86Confident85 Ų8537 Ų3740%0.39720%0.197SC..Hα-helixtrans-64-34172.7-70.2-175.1166.200112.6S166 L172 T181 K183S166-E170 WeakPolarHBondContact O-CG 3.49Å; S166-E170 PolarHBondContact O-N 2.98Å; E170-L172 PolarHBondContact O-N 3.35Å; E170-T181 HydrophobicContact CG-CG2 3.58Å; E170-K183 HydrophobicContact CG-CG 4.24Å
171D89.9Confident84.4Confident81 Ų8130.7 Ų30.743%0.43317%0.169SC..THydrogen-bonded Turntrans-80.40.6177.4-84.831.7000113.7A168 F169 P173 K257A168-D171 PolarHBondContact O-N 3.38Å; F169-D171 VanDerWaalsContact C-N 3.29Å; F169-D171 PolarHBondContact O-N 3.24Å; D171-P173 VanDerWaalsContact O-CD 3.29Å; D171-P173 WeakPolarHBondContact O-CD 3.14Å; D171-K257 WeakPolarHBondContact OD1-CE 3.45Å; D171-K257 IonicContact OD1-NZ 3.85Å; D171-K257 PolarHBondContact OD1-NZ 3.2Å; D171-K257 WeakPolarHBondContact OD2-CE 3.36Å; D171-K257 IonicContact OD2-NZ 2.81Å; D171-K257 PolarHBondContact OD2-NZ 3.45Å
172L91Very high83Confident0 Ų038.4 Ų38.40%021%0.21CC..  trans-119.553.8-178.9-69171.5000112.4A168 F169 E170 Q174 Y175 L177 I264 T265A168-L172 WeakPolarHBondContact O-CD1 3.49Å; A168-L172 WeakPolarHBondContact O-CG 2.91Å; A168-L172 PolarHBondContact O-N 2.96Å; F169-L172 PolarHBondContact O-N 3.36Å; E170-L172 PolarHBondContact O-N 3.35Å; L172-Q174 VanDerWaalsContact CA-OE1 3.28Å; L172-Q174 PolarHBondContact O-N 3.25Å; L172-Q174 VanDerWaalsContact O-N 3.1Å; L172-Y175 HydrophobicContact CB-CD2 4.3Å; L172-Y175 HydrophobicContact CD2-CD2 4.37Å; L172-Y175 HydrophobicContact CD2-CE2 4.47Å; L172-Y175 PolarHBondContact O-N 2.89Å; L172-Y175 VanDerWaalsContact O-N 3.11Å; L172-L177 HydrophobicContact CB-CD1 4.49Å; L172-I264 HydrophobicContact CD1-CB 3.99Å; L172-I264 HydrophobicContact CD1-CD1 3.75Å; L172-I264 HydrophobicContact CD1-CG1 4.5Å; L172-I264 HydrophobicContact CD1-CG2 3.66Å; L172-T265 HydrophobicContact CD2-CG2 3.91Å
173P87.3Confident82.1Confident83 Ų8342.1 Ų42.154%0.53922%0.224SC..THydrogen-bonded Turntrans-65-15.3-176.330.3-37.7000113.8D171 Y175D171-P173 VanDerWaalsContact O-CD 3.29Å; D171-P173 WeakPolarHBondContact O-CD 3.14Å; P173-Y175 PolarHBondContact O-N 3.14Å
174Q87.8Confident81.3Confident46 Ų4642.9 Ų42.922%0.21524%0.241CC..THydrogen-bonded Turntrans-73.7-11.7175.873.4-8423.200113.7K141 L172K141-Q174 WeakPolarHBondContact CB-O 3.47Å; K141-Q174 HydrophobicContact CD-CB 4.07Å; K141-Q174 HydrophobicContact CD-CG 3.91Å; K141-Q174 HydrophobicContact CG-CB 4.16Å; K141-Q174 HydrophobicContact CG-CG 4.4Å; K141-Q174 PolarHBondContact N-O 3.47Å; L172-Q174 VanDerWaalsContact CA-OE1 3.28Å; L172-Q174 PolarHBondContact O-N 3.25Å; L172-Q174 VanDerWaalsContact O-N 3.1Å
175Y85.3Confident80.8Confident8 Ų843.6 Ų43.63%0.03124%0.244CC..SBendtrans-115.1153.1177.7-65.9-67.5000110.5K141 G142 V144 L172 P173 H185 V204 A268 E269K141-Y175 HydrophobicContact CB-CD1 4.23Å; K141-Y175 HydrophobicContact CB-CE1 3.9Å; G142-Y175 WeakPolarHBondContact O-CA 3.46Å; V144-Y175 HydrophobicContact CG2-CD1 4.1Å; V144-Y175 HydrophobicContact CG2-CG 3.93Å; L172-Y175 HydrophobicContact CB-CD2 4.3Å; L172-Y175 HydrophobicContact CD2-CD2 4.37Å; L172-Y175 HydrophobicContact CD2-CE2 4.47Å; L172-Y175 PolarHBondContact O-N 2.89Å; L172-Y175 VanDerWaalsContact O-N 3.11Å; P173-Y175 PolarHBondContact O-N 3.14Å; Y175-H185 PolarHBondContact O-CD2 2.96Å; Y175-H185 VanDerWaalsContact O-CD2 3.25Å; Y175-V204 HydrophobicContact CD1-CG2 4.09Å; Y175-V204 HydrophobicContact CE1-CG2 3.98Å; Y175-A268 HydrophobicContact CE1-CB 4.3Å; Y175-E269 WeakPolarHBondContact OH-CG 3.3Å
176H83.2Confident80.2Confident10 Ų1044.2 Ų44.25%0.04625%0.248CC..EExtended strand (participates in β ladder)trans-97.6122170.6-78.2-164000109.7F134 D137 S140 G142 T143 V144 H185F134-H176 HydrophobicContact CD1-CB 4.42Å; F134-H176 HydrophobicContact CE1-CB 3.71Å; F134-H176 HydrophobicContact CE2-CB 4.22Å; F134-H176 AromaticContact CE2-ND1 3.97Å; F134-H176 HydrophobicContact CZ-CB 3.6Å; F134-H176 PolarHBondContact O-CE1 3.01Å; F134-H176 PolarHBondContact O-ND1 3.44Å; D137-H176 WeakPolarHBondContact CB-CE1 3.31Å; D137-H176 IonicContact OD2-CE1 3.48Å; D137-H176 PolarHBondContact OD2-CE1 3.39Å; D137-H176 IonicContact OD2-NE2 3.93Å; S140-H176 PolarHBondContact OG-N 2.71Å; G142-H176 PolarHBondContact O-N 3.49Å; T143-H176 CarbonylContact C-O 3.58Å; T143-H176 WeakPolarHBondContact CA-O 3.31Å; V144-H176 PolarHBondContact N-O 2.86Å; H176-H185 CarbonylContact C-O 3.54Å; H176-H185 VanDerWaalsContact CA-O 3.3Å; H176-H185 WeakPolarHBondContact CA-O 3.47Å
177L80.9Confident79.7Confident1 Ų145.8 Ų45.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-120.7166.7-172.2-61.2112.9000111.8F134 V144 F169 L172 H185 V186 K187F134-L177 WeakPolarHBondContact CZ-O 3.43Å; V144-L177 HydrophobicContact CB-CD2 3.74Å; V144-L177 HydrophobicContact CB-CG 4Å; V144-L177 HydrophobicContact CG1-CD2 3.79Å; V144-L177 HydrophobicContact CG2-CD2 4.32Å; V144-L177 WeakPolarHBondContact O-CA 3.24Å; F169-L177 HydrophobicContact CB-CD1 4.27Å; F169-L177 HydrophobicContact CB-CD2 4.24Å; F169-L177 HydrophobicContact CD1-CD2 3.41Å; F169-L177 VanDerWaalsContact CD1-CD2 3.41Å; F169-L177 HydrophobicContact CD2-CD2 4.29Å; F169-L177 HydrophobicContact CE1-CD2 3.68Å; F169-L177 HydrophobicContact CG-CD2 3.73Å; F169-L177 HydrophobicContact CZ-CD2 4.25Å; L172-L177 HydrophobicContact CB-CD1 4.49Å; L177-H185 PolarHBondContact N-O 3.15Å; L177-V186 HydrophobicContact CB-CG1 4.3Å; L177-V186 HydrophobicContact CB-CG2 4.38Å; L177-V186 CarbonylContact O-C 3.46Å; L177-V186 WeakPolarHBondContact O-CA 3.27Å; L177-K187 PolarHBondContact O-N 3.11Å
178N73Confident79.1Confident21 Ų2148.8 Ų48.811%0.11226%0.264CS..  trans-125.887.2173.164.9-63.8000112.7V144 V145 F146 K187V144-N178 PolarHBondContact O-OD1 2.81Å; V145-N178 VanDerWaalsContact CA-OD1 3.3Å; V145-N178 WeakPolarHBondContact CA-OD1 3.38Å; F146-N178 PolarHBondContact N-OD1 3.2Å; F146-N178 PolarHBondContact O-ND2 2.56Å; N178-K187 WeakPolarHBondContact CA-O 3.42Å; N178-K187 WeakPolarHBondContact CB-O 3.37Å
179M65.1Low78.6Confident11 Ų1152.3 Ų52.35%0.05428%0.28CS..SBendtrans-168.4179.2171.6-141.4-167.97100114.7F146 W154 F165 F169 T181 V186 I188F146-M179 HydrophobicContact CD1-CB 4.32Å; F146-M179 HydrophobicContact CD1-CG 3.79Å; F146-M179 HydrophobicContact CD1-SD 3.86Å; F146-M179 HydrophobicContact CD2-SD 4.38Å; F146-M179 HydrophobicContact CE1-CG 3.64Å; F146-M179 HydrophobicContact CE1-SD 3.24Å; F146-M179 WeakPolarHBondContact CE1-SD 3.46Å; F146-M179 HydrophobicContact CE2-SD 3.82Å; F146-M179 HydrophobicContact CG-CG 4.48Å; F146-M179 HydrophobicContact CG-SD 4.37Å; F146-M179 HydrophobicContact CZ-CG 4.2Å; F146-M179 HydrophobicContact CZ-SD 3.17Å; F146-M179 WeakPolarHBondContact CZ-SD 3.38Å; W154-M179 HydrophobicContact CZ3-SD 4.44Å; F165-M179 HydrophobicContact CB-CE 3.34Å; F165-M179 HydrophobicContact CB-SD 3.84Å; F165-M179 HydrophobicContact CG-CE 4.44Å; F165-M179 HydrophobicContact CG-SD 4.41Å; F169-M179 HydrophobicContact CD2-CB 3.68Å; F169-M179 HydrophobicContact CD2-CE 4.29Å; F169-M179 HydrophobicContact CE2-CB 3.44Å; F169-M179 VanDerWaalsContact CE2-CB 3.44Å; F169-M179 HydrophobicContact CE2-CE 4.01Å; F169-M179 HydrophobicContact CE2-CG 4.14Å; F169-M179 HydrophobicContact CE2-SD 3.75Å; M179-T181 PolarHBondContact O-N 2.76Å; M179-V186 WeakPolarHBondContact O-CG1 3.18Å; M179-I188 VanDerWaalsContact C-CG1 3.47Å; M179-I188 VanDerWaalsContact O-CD1 3.3Å; M179-I188 WeakPolarHBondContact O-CD1 3.07Å; M179-I188 WeakPolarHBondContact O-CG1 3.18Å
180V52.1Low78.1Confident79 Ų7957.1 Ų57.148%0.47932%0.32SS..SBendtrans-53.593.1-174-176.90000113.5S166S166-V180 WeakPolarHBondContact CB-O 3.4Å
181T57.3Low77.9Confident16 Ų1660.2 Ų60.210%0.09833%0.328CS..  trans-156.1162.7160.678.20000109.8E170 M179 K183 V186E170-T181 HydrophobicContact CG-CG2 3.58Å; M179-T181 PolarHBondContact O-N 2.76Å; T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 3.21Å; T181-K183 PolarHBondContact OG1-N 2.98Å; T181-V186 HydrophobicContact CG2-CG2 4.45Å; T181-V186 WeakPolarHBondContact OG1-CB 3.14Å; T181-V186 VanDerWaalsContact OG1-CG2 3.28Å; T181-V186 WeakPolarHBondContact OG1-CG2 3.32Å
182N61.4Low77.8Confident172 Ų17257.3 Ų57.392%0.9231%0.313SS*.SBendtrans-88.919.3173.3-78.9-11.1000113.2
183K73.2Confident77.9Confident108 Ų10859 Ų5947%0.4733%0.325SS..  trans-96.4143.2-173-56.5-65.8-173.8177.10111.6E170 T181 H185 V186E170-K183 HydrophobicContact CG-CG 4.24Å; T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 3.21Å; T181-K183 PolarHBondContact OG1-N 2.98Å; K183-H185 VanDerWaalsContact C-N 3.26Å; K183-H185 WeakPolarHBondContact CB-CE1 3.46Å; K183-H185 VanDerWaalsContact CB-ND1 3.32Å; K183-H185 WeakPolarHBondContact CB-ND1 3.21Å; K183-H185 PolarHBondContact O-N 2.96Å; K183-V186 HydrophobicContact CB-CG2 4.28Å; K183-V186 PolarHBondContact O-N 2.93Å
184S75.1Confident78.1Confident121 Ų12155.8 Ų55.885%0.84630%0.303SS*.THydrogen-bonded Turntrans-63.9-26.9-176.154.10000114.1V186S184-V186 PolarHBondContact O-N 3.44Å
185H82.7Confident78.4Confident18 Ų1854.4 Ų54.48%0.08330%0.298CS..THydrogen-bonded Turntrans-78.34.3175.669.1-74000113F134 F169 Y175 H176 L177 K183F134-H185 WeakPolarHBondContact CZ-O 3.37Å; F169-H185 PolarHBondContact O-NE2 3.09Å; Y175-H185 PolarHBondContact O-CD2 2.96Å; Y175-H185 VanDerWaalsContact O-CD2 3.25Å; H176-H185 CarbonylContact C-O 3.54Å; H176-H185 VanDerWaalsContact CA-O 3.3Å; H176-H185 WeakPolarHBondContact CA-O 3.47Å; L177-H185 PolarHBondContact N-O 3.15Å; K183-H185 VanDerWaalsContact C-N 3.26Å; K183-H185 WeakPolarHBondContact CB-CE1 3.46Å; K183-H185 VanDerWaalsContact CB-ND1 3.32Å; K183-H185 WeakPolarHBondContact CB-ND1 3.21Å; K183-H185 PolarHBondContact O-N 2.96Å
186V80.9Confident78.9Confident14 Ų1454.3 Ų54.39%0.08530%0.298CS..BIsolated β-bridgetrans-124.6116-178-1650000111.7L177 M179 T181 K183 S184L177-V186 HydrophobicContact CB-CG1 4.3Å; L177-V186 HydrophobicContact CB-CG2 4.38Å; L177-V186 CarbonylContact O-C 3.46Å; L177-V186 WeakPolarHBondContact O-CA 3.27Å; M179-V186 WeakPolarHBondContact O-CG1 3.18Å; T181-V186 HydrophobicContact CG2-CG2 4.45Å; T181-V186 WeakPolarHBondContact OG1-CB 3.14Å; T181-V186 VanDerWaalsContact OG1-CG2 3.28Å; T181-V186 WeakPolarHBondContact OG1-CG2 3.32Å; K183-V186 HydrophobicContact CB-CG2 4.28Å; K183-V186 PolarHBondContact O-N 2.93Å; S184-V186 PolarHBondContact O-N 3.44Å
187K81.9Confident79.5Confident52 Ų5254.2 Ų54.223%0.22630%0.298CS..  trans-108.6115.2-177.9179.616917062.10111.5F134 L177 N178 E189F134-K187 HydrophobicContact CB-CD 4.21Å; F134-K187 HydrophobicContact CD1-CB 4.2Å; F134-K187 HydrophobicContact CD1-CD 4.13Å; F134-K187 HydrophobicContact CD2-CB 4.02Å; F134-K187 HydrophobicContact CD2-CD 4.28Å; F134-K187 HydrophobicContact CE1-CB 3.85Å; F134-K187 HydrophobicContact CE2-CB 3.67Å; F134-K187 HydrophobicContact CG-CB 4.27Å; F134-K187 HydrophobicContact CG-CD 3.95Å; F134-K187 HydrophobicContact CZ-CB 3.57Å; L177-K187 PolarHBondContact O-N 3.11Å; N178-K187 WeakPolarHBondContact CA-O 3.42Å; N178-K187 WeakPolarHBondContact CB-O 3.37Å; K187-E189 WeakPolarHBondContact CE-OE1 3.32Å; K187-E189 IonicContact NZ-OE1 3.57Å; K187-E189 PolarHBondContact NZ-OE1 3.41Å
188I79.1Confident80.3Confident98 Ų9854.3 Ų54.350%0.50330%0.299SS..  trans-100125.7-176-53.3171.1000110.2M179M179-I188 VanDerWaalsContact C-CG1 3.47Å; M179-I188 VanDerWaalsContact O-CD1 3.3Å; M179-I188 WeakPolarHBondContact O-CD1 3.07Å; M179-I188 WeakPolarHBondContact O-CG1 3.18Å
189E83.2Confident81.3Confident74 Ų7458.6 Ų58.635%0.34632%0.318SS..  trans-139.5148.1171.5-67.3-165.5-163.400111.3Y131 K187 W191 V192Y131-E189 PolarHBondContact OH-OE1 3.34Å; Y131-E189 PolarHBondContact OH-OE2 3.24Å; K187-E189 WeakPolarHBondContact CE-OE1 3.32Å; K187-E189 IonicContact NZ-OE1 3.57Å; K187-E189 PolarHBondContact NZ-OE1 3.41Å; E189-W191 VanDerWaalsContact C-N 3.31Å; E189-V192 HydrophobicContact CB-CG1 4.17Å
190A81Confident82.8Confident101 Ų10159.5 Ų59.584%0.83532%0.322SS*.SBendtrans-64.6-37.8177.100000111.9
191W84.3Confident84.9Confident150 Ų15061.5 Ų61.557%0.56834%0.337SS*.SBendtrans-139.8109.9177.8-85111.6000110.7H150 E189H150-W191 AromaticContact CD2-CZ2 3.66Å; H150-W191 AromaticContact CE1-CH2 3.13Å; H150-W191 WeakPolarHBondContact CE1-CH2 3.29Å; H150-W191 AromaticContact CE1-CZ2 3.32Å; H150-W191 WeakPolarHBondContact CE1-CZ2 3.48Å; H150-W191 AromaticContact CG-CH2 3.88Å; H150-W191 AromaticContact CG-CZ2 3.86Å; H150-W191 AromaticContact ND1-CH2 3.29Å; H150-W191 VanDerWaalsContact ND1-CH2 3.29Å; H150-W191 WeakPolarHBondContact ND1-CH2 3.13Å; H150-W191 AromaticContact ND1-CZ2 3.69Å; H150-W191 AromaticContact NE2-CH2 3.71Å; H150-W191 AromaticContact NE2-CZ2 3.37Å; H150-W191 WeakPolarHBondContact NE2-CZ2 3.32Å; E189-W191 VanDerWaalsContact C-N 3.31Å
192V88.9Confident86.7Confident20 Ų2063.6 Ų63.612%0.12135%0.345CS..  trans-84.6147.4174.2-60.80000111E189 L194 I197E189-V192 HydrophobicContact CB-CG1 4.17Å; V192-L194 HydrophobicContact CG2-CB 4.19Å; V192-L194 PolarHBondContact O-N 3.21Å; V192-I197 HydrophobicContact CB-CD1 3.86Å; V192-I197 HydrophobicContact CG2-CD1 4.4Å
193P91.2Very high88.4Confident36 Ų3655.5 Ų55.523%0.23430%0.301CS..  trans-72.367171.331.9-35.2000110.4L127 Y131 A196 I197L127-P193 HydrophobicContact CD2-CB 4.48Å; L127-P193 HydrophobicContact CD2-CG 3.79Å; Y131-P193 HydrophobicContact CD2-CG 4.16Å; Y131-P193 HydrophobicContact CE1-CG 4.25Å; Y131-P193 HydrophobicContact CE2-CG 3.84Å; Y131-P193 WeakPolarHBondContact OH-CD 3.44Å; P193-A196 HydrophobicContact CB-CB 4.29Å; P193-A196 WeakPolarHBondContact O-CB 3.45Å; P193-A196 PolarHBondContact O-N 3.47Å; P193-I197 HydrophobicContact CG-CD1 4.23Å; P193-I197 HydrophobicContact CG-CG1 4.2Å; P193-I197 PolarHBondContact O-N 2.93Å; P193-I197 VanDerWaalsContact O-N 3.14Å
194L93Very high89.5Confident16 Ų1652.2 Ų52.28%0.08429%0.29CS..Hα-helixtrans-50.7-50.3-165.8178.865.9000113.9V145 V192 A196 I197 L198 F206 E217V145-L194 HydrophobicContact CG1-CD1 3.59Å; V192-L194 HydrophobicContact CG2-CB 4.19Å; V192-L194 PolarHBondContact O-N 3.21Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 2.94Å; L194-I197 PolarHBondContact O-N 3.12Å; L194-L198 HydrophobicContact CD1-CD1 3.79Å; L194-L198 HydrophobicContact CD1-CD2 4.24Å; L194-L198 HydrophobicContact CD1-CG 3.78Å; L194-L198 HydrophobicContact CD2-CD1 4.46Å; L194-L198 HydrophobicContact CG-CD1 3.8Å; L194-L198 HydrophobicContact CG-CG 4.18Å; L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 2.84Å; L194-F206 HydrophobicContact CD1-CD2 4.46Å; L194-F206 HydrophobicContact CD1-CE1 4.42Å; L194-F206 HydrophobicContact CD1-CE2 3.88Å; L194-F206 HydrophobicContact CD1-CZ 3.85Å; L194-F206 HydrophobicContact CD2-CE1 4.29Å; L194-F206 HydrophobicContact CD2-CE2 4.45Å; L194-F206 HydrophobicContact CD2-CZ 3.72Å; L194-F206 HydrophobicContact CG-CZ 4.37Å; L194-E217 VanDerWaalsContact CD2-OE2 3.26Å; L194-E217 WeakPolarHBondContact CD2-OE2 3.46Å
195P94.2Very high90.6Very high16 Ų1646.4 Ų46.410%0.10425%0.25CC..Hα-helixtrans-56.7-39.5177.1-29.237.5000113.9P122 A124 Q199 F221P122-P195 HydrophobicContact CB-CB 4.18Å; P122-P195 HydrophobicContact CB-CG 4.13Å; P122-P195 HydrophobicContact CG-CB 3.87Å; P122-P195 HydrophobicContact CG-CG 3.86Å; A124-P195 HydrophobicContact CB-CB 4.2Å; P195-Q199 VanDerWaalsContact O-CB 3.29Å; P195-Q199 WeakPolarHBondContact O-CB 3.46Å; P195-Q199 PolarHBondContact O-N 2.89Å; P195-F221 HydrophobicContact CB-CE2 3.86Å; P195-F221 HydrophobicContact CB-CZ 4.03Å
196A95Very high91.4Very high6 Ų645.6 Ų45.65%0.0525%0.246CC..Hα-helixtrans-71.5-36.2-177.200000111.8A124 S125 L127 P193 L194 H200A124-A196 HydrophobicContact CB-CB 4.11Å; S125-A196 WeakPolarHBondContact O-CB 3.5Å; L127-A196 HydrophobicContact CD2-CB 3.5Å; L127-A196 HydrophobicContact CG-CB 3.83Å; P193-A196 HydrophobicContact CB-CB 4.29Å; P193-A196 WeakPolarHBondContact O-CB 3.45Å; P193-A196 PolarHBondContact O-N 3.47Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 2.94Å; A196-H200 PolarHBondContact O-N 3.32Å
197I95.7Very high92.2Very high8 Ų844.9 Ų44.94%0.04124%0.242CC..Hα-helixtrans-70.6-47.6174-54.2174.6000109.9L127 Y131 I135 T143 V145 V192 P193 L194 Q199 H200 T203L127-I197 HydrophobicContact CD2-CG1 3.89Å; Y131-I197 HydrophobicContact CD1-CD1 4.05Å; Y131-I197 HydrophobicContact CD1-CG1 4.42Å; Y131-I197 HydrophobicContact CE1-CD1 3.68Å; Y131-I197 HydrophobicContact CE1-CG1 4.48Å; I135-I197 HydrophobicContact CD1-CB 4.49Å; I135-I197 HydrophobicContact CD1-CG1 4.19Å; I135-I197 HydrophobicContact CD1-CG2 3.91Å; T143-I197 HydrophobicContact CG2-CG2 4.27Å; V145-I197 HydrophobicContact CG2-CB 4.22Å; V145-I197 HydrophobicContact CG2-CG2 3.31Å; V192-I197 HydrophobicContact CB-CD1 3.86Å; V192-I197 HydrophobicContact CG2-CD1 4.4Å; P193-I197 HydrophobicContact CG-CD1 4.23Å; P193-I197 HydrophobicContact CG-CG1 4.2Å; P193-I197 PolarHBondContact O-N 2.93Å; P193-I197 VanDerWaalsContact O-N 3.14Å; L194-I197 PolarHBondContact O-N 3.12Å; I197-Q199 VanDerWaalsContact C-N 3.3Å; I197-Q199 PolarHBondContact O-N 2.69Å; I197-H200 WeakPolarHBondContact O-CB 3.14Å; I197-H200 PolarHBondContact O-N 3.26Å; I197-T203 WeakPolarHBondContact O-CB 3.2Å; I197-T203 PolarHBondContact O-OG1 3.37Å
198L97.3Very high92.8Very high3 Ų342.4 Ų42.42%0.01623%0.231CC..Hα-helixtrans-61.1-36.3179.3-69178.6000113.1V145 L194 H200 T203 F206 E217 F221 V223V145-L198 HydrophobicContact CG2-CD2 4.42Å; L194-L198 HydrophobicContact CD1-CD1 3.79Å; L194-L198 HydrophobicContact CD1-CD2 4.24Å; L194-L198 HydrophobicContact CD1-CG 3.78Å; L194-L198 HydrophobicContact CD2-CD1 4.46Å; L194-L198 HydrophobicContact CG-CD1 3.8Å; L194-L198 HydrophobicContact CG-CG 4.18Å; L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 2.84Å; L198-H200 PolarHBondContact O-N 3.17Å; L198-T203 HydrophobicContact CD2-CG2 4.2Å; L198-F206 HydrophobicContact CD1-CD1 4Å; L198-F206 HydrophobicContact CD1-CE1 4.02Å; L198-F206 HydrophobicContact CD2-CB 3.79Å; L198-F206 HydrophobicContact CD2-CD1 3.88Å; L198-F206 HydrophobicContact CD2-CD2 4.38Å; L198-F206 HydrophobicContact CD2-CG 3.79Å; L198-E217 HydrophobicContact CD1-CB 3.8Å; L198-F221 HydrophobicContact CB-CB 4.02Å; L198-F221 HydrophobicContact CB-CD2 3.54Å; L198-F221 HydrophobicContact CB-CE2 4.33Å; L198-F221 HydrophobicContact CB-CG 4.05Å; L198-F221 HydrophobicContact CD1-CD2 4.21Å; L198-V223 HydrophobicContact CB-CG2 4.29Å; L198-V223 HydrophobicContact CD2-CB 4.16Å; L198-V223 HydrophobicContact CD2-CG1 4.11Å; L198-V223 HydrophobicContact CD2-CG2 4.08Å; L198-V223 VanDerWaalsContact O-CG2 3.29Å; L198-V223 WeakPolarHBondContact O-CG2 3.4Å
199Q95.7Very high93.5Very high112 Ų11238.6 Ų38.652%0.52321%0.211SC..Hα-helixtrans-67.2-22.8174.9-171.817751.900112.7A124 P195 I197 F221A124-Q199 HydrophobicContact CB-CB 4.16Å; P195-Q199 VanDerWaalsContact O-CB 3.29Å; P195-Q199 WeakPolarHBondContact O-CB 3.46Å; P195-Q199 PolarHBondContact O-N 2.89Å; I197-Q199 VanDerWaalsContact C-N 3.3Å; I197-Q199 PolarHBondContact O-N 2.69Å; Q199-F221 HydrophobicContact CB-CD1 3.74Å; Q199-F221 HydrophobicContact CB-CE1 3.81Å; Q199-F221 HydrophobicContact CB-CG 4.31Å; Q199-F221 HydrophobicContact CB-CZ 4.42Å; Q199-F221 HydrophobicContact CG-CD1 4.04Å; Q199-F221 HydrophobicContact CG-CE1 4.08Å
200H96.2Very high94Very high30 Ų3035 Ų3514%0.13919%0.194CC..SBendtrans-67.8132.3-174.8-164.2-86.7000111.7L127 I135 E136 A196 I197 L198 K202 T203L127-H200 HydrophobicContact CD1-CB 4.48Å; I135-H200 HydrophobicContact CG2-CB 4.44Å; I135-H200 VanDerWaalsContact CG2-CE1 3.48Å; I135-H200 WeakPolarHBondContact CG2-CE1 3.33Å; I135-H200 WeakPolarHBondContact CG2-ND1 3.41Å; E136-H200 IonicContact OE1-NE2 3.53Å; A196-H200 PolarHBondContact O-N 3.32Å; I197-H200 WeakPolarHBondContact O-CB 3.14Å; I197-H200 PolarHBondContact O-N 3.26Å; L198-H200 PolarHBondContact O-N 3.17Å; H200-K202 PolarHBondContact ND1-N 3.24Å; H200-K202 PolarHBondContact O-N 3.09Å; H200-K202 VanDerWaalsContact O-N 3.13Å; H200-T203 WeakPolarHBondContact O-CB 3.44Å; H200-T203 PolarHBondContact O-N 3.24Å; H200-T203 PolarHBondContact O-OG1 3.32Å
201P95.1Very high94.5Very high121 Ų12130.6 Ų30.679%0.78616%0.158SC*.THydrogen-bonded Turntrans-59.2-28.7-176.1-27.335.1000115.5T203P201-T203 PolarHBondContact O-N 2.91Å
202K95.6Very high94.7Very high60 Ų6027.1 Ų27.126%0.26115%0.15SC..THydrogen-bonded Turntrans-76-5.8176.2-76.8-168.1170.7-171.20113.8I135 E136 D137 N138 G142 T143 H200 V204I135-K202 HydrophobicContact CG2-CB 3.96Å; I135-K202 WeakPolarHBondContact O-CD 3.29Å; E136-K202 VanDerWaalsContact C-NZ 3.26Å; E136-K202 PolarHBondContact O-NZ 2.84Å; D137-K202 PolarHBondContact O-NZ 2.9Å; N138-K202 PolarHBondContact OD1-NZ 3.02Å; G142-K202 CarbonylContact C-O 3.6Å; G142-K202 VanDerWaalsContact CA-O 3.23Å; G142-K202 WeakPolarHBondContact CA-O 3.45Å; T143-K202 PolarHBondContact N-O 2.73Å; H200-K202 PolarHBondContact ND1-N 3.24Å; H200-K202 PolarHBondContact O-N 3.09Å; H200-K202 VanDerWaalsContact O-N 3.13Å; K202-V204 PolarHBondContact O-N 3.2Å
203T96.9Very high94.8Very high2 Ų227.6 Ų27.61%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-78.8114.9175.7-60.60000110.8T143 V145 I197 L198 H200 P201 V223T143-T203 WeakPolarHBondContact O-CA 3.45Å; V145-T203 HydrophobicContact CG2-CG2 3.81Å; I197-T203 WeakPolarHBondContact O-CB 3.2Å; I197-T203 PolarHBondContact O-OG1 3.37Å; L198-T203 HydrophobicContact CD2-CG2 4.2Å; H200-T203 WeakPolarHBondContact O-CB 3.44Å; H200-T203 PolarHBondContact O-N 3.24Å; H200-T203 PolarHBondContact O-OG1 3.32Å; P201-T203 PolarHBondContact O-N 2.91Å; T203-V223 HydrophobicContact CG2-CG1 3.95Å; T203-V223 HydrophobicContact CG2-CG2 4.19Å
204V97.1Very high94.9Very high38 Ų3826.5 Ų26.523%0.2314%0.143CC..EExtended strand (participates in β ladder)trans-104.9-24.1-171.8-64.70000113.3T143 V144 Y175 K202T143-V204 WeakPolarHBondContact O-CG2 3.5Å; T143-V204 PolarHBondContact O-N 3.41Å; V144-V204 HydrophobicContact CG2-CG2 4.27Å; Y175-V204 HydrophobicContact CD1-CG2 4.09Å; Y175-V204 HydrophobicContact CE1-CG2 3.98Å; K202-V204 PolarHBondContact O-N 3.2Å
205L98.4Very high95Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-151.8143.5-174.7-174.365.6000111.6V144 V145 I207 P224 V226 I264 V267V144-L205 WeakPolarHBondContact CA-O 3.39Å; V144-L205 HydrophobicContact CB-CB 4.43Å; V144-L205 HydrophobicContact CG1-CB 4.11Å; V144-L205 HydrophobicContact CG1-CD2 3.94Å; V144-L205 HydrophobicContact CG1-CG 4.22Å; V144-L205 HydrophobicContact CG2-CB 4.06Å; V144-L205 HydrophobicContact CG2-CD2 4.37Å; V145-L205 PolarHBondContact N-O 3.08Å; L205-I207 HydrophobicContact CD2-CG1 4.33Å; L205-P224 HydrophobicContact CD1-CB 4.34Å; L205-V226 HydrophobicContact CD1-CG2 4.14Å; L205-V226 HydrophobicContact CD2-CG2 4.04Å; L205-V226 HydrophobicContact CG-CG2 4.47Å; L205-I264 HydrophobicContact CD2-CB 4.05Å; L205-I264 HydrophobicContact CD2-CG1 3.98Å; L205-I264 HydrophobicContact CD2-CG2 3.75Å; L205-V267 HydrophobicContact CD1-CB 3.68Å; L205-V267 HydrophobicContact CD1-CG1 3.31Å
206F98.3Very high95Very high0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-121.8113.1171.1-179.1-157.2000111.6V145 L194 L198 T208 S214 A218 V223 P224 V225 V226V145-F206 HydrophobicContact CB-CD2 4.1Å; V145-F206 HydrophobicContact CG1-CD2 4.22Å; V145-F206 HydrophobicContact CG1-CE2 4.37Å; V145-F206 CarbonylContact O-C 3.49Å; V145-F206 WeakPolarHBondContact O-CA 3.35Å; L194-F206 HydrophobicContact CD1-CD2 4.46Å; L194-F206 HydrophobicContact CD1-CE1 4.42Å; L194-F206 HydrophobicContact CD1-CE2 3.88Å; L194-F206 HydrophobicContact CD1-CZ 3.85Å; L194-F206 HydrophobicContact CD2-CE1 4.29Å; L194-F206 HydrophobicContact CD2-CE2 4.45Å; L194-F206 HydrophobicContact CD2-CZ 3.72Å; L194-F206 HydrophobicContact CG-CZ 4.37Å; L198-F206 HydrophobicContact CD1-CD1 4Å; L198-F206 HydrophobicContact CD1-CE1 4.02Å; L198-F206 HydrophobicContact CD2-CB 3.79Å; L198-F206 HydrophobicContact CD2-CD1 3.88Å; L198-F206 HydrophobicContact CD2-CD2 4.38Å; L198-F206 HydrophobicContact CD2-CG 3.79Å; F206-T208 HydrophobicContact CD1-CG2 4.2Å; F206-T208 HydrophobicContact CE1-CG2 4.13Å; F206-T208 HydrophobicContact CG-CG2 4.48Å; F206-T208 HydrophobicContact CZ-CG2 4.33Å; F206-S214 WeakPolarHBondContact CE1-O 3.17Å; F206-A218 HydrophobicContact CD1-CB 3.9Å; F206-V223 HydrophobicContact CB-CG1 3.84Å; F206-P224 PolarHBondContact N-O 3.08Å; F206-V225 HydrophobicContact CB-CG1 4.29Å; F206-V225 HydrophobicContact CD1-CG1 4.4Å; F206-V225 CarbonylContact O-C 3.47Å; F206-V225 WeakPolarHBondContact O-CA 3.3Å; F206-V226 PolarHBondContact O-N 2.97Å
207I97.6Very high95Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-88.2119171.7-49.4176.6000108.5V144 V145 F146 S147 F148 F165 F169 L205 V226 I264V144-I207 HydrophobicContact CG1-CD1 3.68Å; V144-I207 HydrophobicContact CG1-CG1 3.87Å; V145-I207 PolarHBondContact O-N 3.15Å; F146-I207 WeakPolarHBondContact CA-O 3.34Å; F146-I207 HydrophobicContact CB-CB 4.5Å; F146-I207 HydrophobicContact CD2-CB 3.73Å; F146-I207 HydrophobicContact CD2-CD1 4.11Å; F146-I207 HydrophobicContact CD2-CG2 3.62Å; F146-I207 HydrophobicContact CE2-CG2 3.9Å; S147-I207 PolarHBondContact N-O 3.39Å; F148-I207 HydrophobicContact CE2-CG2 4.13Å; F148-I207 HydrophobicContact CZ-CG2 4.47Å; F165-I207 HydrophobicContact CE1-CG2 3.97Å; F165-I207 HydrophobicContact CZ-CG2 4.46Å; F169-I207 HydrophobicContact CE1-CD1 3.7Å; F169-I207 HydrophobicContact CZ-CD1 3.79Å; L205-I207 HydrophobicContact CD2-CG1 4.33Å; I207-V226 VanDerWaalsContact CA-O 3.3Å; I207-V226 WeakPolarHBondContact CA-O 3.42Å; I207-V226 HydrophobicContact CG1-CB 4.23Å; I207-V226 HydrophobicContact CG2-CB 4.4Å; I207-V226 HydrophobicContact CG2-CG1 4.47Å; I207-I264 HydrophobicContact CD1-CD1 3.84Å; I207-I264 HydrophobicContact CD1-CG1 3.94Å
208T96.1Very high95.1Very high0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-147.6156.8-170.8-175.80000112.4S147 F206 S210 S214 V225 V226 T227 V228S147-T208 WeakPolarHBondContact O-CA 3.4Å; S147-T208 PolarHBondContact O-OG1 3.36Å; F206-T208 HydrophobicContact CD1-CG2 4.2Å; F206-T208 HydrophobicContact CE1-CG2 4.13Å; F206-T208 HydrophobicContact CG-CG2 4.48Å; F206-T208 HydrophobicContact CZ-CG2 4.33Å; T208-S210 PolarHBondContact O-N 2.93Å; T208-S210 PolarHBondContact OG1-N 3.21Å; T208-S210 VanDerWaalsContact OG1-N 3.15Å; T208-S214 VanDerWaalsContact OG1-CB 3.31Å; T208-S214 WeakPolarHBondContact OG1-CB 3.41Å; T208-V225 HydrophobicContact CG2-CB 4.43Å; T208-V225 HydrophobicContact CG2-CG1 4.29Å; T208-V226 PolarHBondContact N-O 3.37Å; T208-T227 CarbonylContact O-C 3.54Å; T208-T227 VanDerWaalsContact O-CA 3.29Å; T208-T227 WeakPolarHBondContact O-CA 3.39Å; T208-V228 PolarHBondContact O-N 3.47Å
209H94Very high95.1Very high17 Ų1727.8 Ų27.88%0.07914%0.144CC..  trans-72.2-8.5166.871.1-97000112.7F148 G211 V228 P229 L230 Q234F148-H209 VanDerWaalsContact CA-ND1 3.35Å; F148-H209 WeakPolarHBondContact CA-ND1 3.27Å; F148-H209 HydrophobicContact CD1-CB 3.75Å; F148-H209 HydrophobicContact CE1-CB 4.15Å; F148-H209 HydrophobicContact CG-CB 4.36Å; F148-H209 PolarHBondContact O-CE1 3.36Å; F148-H209 PolarHBondContact O-ND1 2.84Å; H209-G211 VanDerWaalsContact CD2-CA 3.5Å; H209-G211 WeakPolarHBondContact CD2-CA 3.12Å; H209-G211 PolarHBondContact CD2-N 2.88Å; H209-G211 WeakPolarHBondContact NE2-CA 3.22Å; H209-G211 PolarHBondContact NE2-N 3.46Å; H209-V228 WeakPolarHBondContact CA-O 3.17Å; H209-P229 WeakPolarHBondContact O-CA 3.39Å; H209-L230 HydrophobicContact CB-CD1 4.4Å; H209-L230 HydrophobicContact CB-CG 4.08Å; H209-Q234 PolarHBondContact CD2-NE2 2.99Å; H209-Q234 VanDerWaalsContact CD2-NE2 3.32Å; H209-Q234 PolarHBondContact CD2-OE1 2.87Å; H209-Q234 VanDerWaalsContact O-CB 3.3Å; H209-Q234 WeakPolarHBondContact O-CB 3.24Å
210S93.1Very high95.1Very high0 Ų023.2 Ų23.20%013%0.125CC..  trans64.835.6-177.9-60.50000115.4T208 T227 H237T208-S210 PolarHBondContact O-N 2.93Å; T208-S210 PolarHBondContact OG1-N 3.21Å; T208-S210 VanDerWaalsContact OG1-N 3.15Å; S210-T227 WeakPolarHBondContact OG-CB 3.35Å; S210-T227 WeakPolarHBondContact OG-CG2 3.32Å; S210-H237 WeakPolarHBondContact O-CB 3.23Å; S210-H237 PolarHBondContact O-CD2 3.31Å
211G90.7Very high95.1Very high7 Ų723.3 Ų23.37%0.07213%0.125CC..  trans-60.9152165.300000109.5H209 K213 S214 F215H209-G211 VanDerWaalsContact CD2-CA 3.5Å; H209-G211 WeakPolarHBondContact CD2-CA 3.12Å; H209-G211 PolarHBondContact CD2-N 2.88Å; H209-G211 WeakPolarHBondContact NE2-CA 3.22Å; H209-G211 PolarHBondContact NE2-N 3.46Å; G211-K213 PolarHBondContact O-N 3.29Å; G211-S214 PolarHBondContact O-N 3.48Å; G211-S214 VanDerWaalsContact O-N 3.08Å; G211-F215 WeakPolarHBondContact O-CB 3.32Å; G211-F215 PolarHBondContact O-N 2.93Å
212I89Confident95.3Very high77 Ų7718 Ų1840%0.3959%0.092SC..Hα-helixtrans-45.9-40.3-172.1-168.8167.4000114.1R216 D233I212-R216 VanDerWaalsContact O-CB 3.26Å; I212-R216 WeakPolarHBondContact O-CB 3.09Å; I212-R216 PolarHBondContact O-N 2.85Å; I212-D233 PolarHBondContact N-OD2 3.4Å
213K90.4Very high95.4Very high31 Ų3115.2 Ų15.214%0.1358%0.08CC..Hα-helixtrans-72-52.4179.8-63.7177.8-174.4169.40113.1S32 H33 S36 Y119 G211 F215 R216 E217S32-K213 PolarHBondContact O-NZ 3.24Å; H33-K213 PolarHBondContact CD2-NZ 3.46Å; S36-K213 VanDerWaalsContact OG-CE 3.29Å; S36-K213 WeakPolarHBondContact OG-CE 3.48Å; S36-K213 PolarHBondContact OG-NZ 2.82Å; Y119-K213 HydrophobicContact CD1-CB 4.16Å; Y119-K213 HydrophobicContact CD1-CG 4.09Å; Y119-K213 HydrophobicContact CE1-CB 4.2Å; Y119-K213 HydrophobicContact CE1-CG 4.42Å; Y119-K213 HydrophobicContact CG-CG 4.37Å; G211-K213 PolarHBondContact O-N 3.29Å; K213-F215 PolarHBondContact O-N 3.04Å; K213-R216 CarbonylContact O-C 3.55Å; K213-R216 WeakPolarHBondContact O-CA 3.22Å; K213-R216 WeakPolarHBondContact O-CB 3.37Å; K213-R216 PolarHBondContact O-N 2.9Å; K213-E217 WeakPolarHBondContact O-CG 3.2Å; K213-E217 PolarHBondContact O-N 2.96Å
214S93.5Very high95.5Very high12 Ų1215.2 Ų15.28%0.0848%0.079CC..Hα-helixtrans-60.1-39178.3-60.30000111F206 T208 G211 E217 A218F206-S214 WeakPolarHBondContact CE1-O 3.17Å; T208-S214 VanDerWaalsContact OG1-CB 3.31Å; T208-S214 WeakPolarHBondContact OG1-CB 3.41Å; G211-S214 PolarHBondContact O-N 3.48Å; G211-S214 VanDerWaalsContact O-N 3.08Å; S214-E217 PolarHBondContact O-N 3.04Å; S214-A218 WeakPolarHBondContact O-CB 3.16Å; S214-A218 PolarHBondContact O-N 3.32Å
215F95Very high95.6Very high22 Ų2213.4 Ų13.410%0.0967%0.068CC..Hα-helixtrans-61.5-47172.8177.3-95.3000111.6G211 K213 E217 A218 V219 H237 L240 F246G211-F215 WeakPolarHBondContact O-CB 3.32Å; G211-F215 PolarHBondContact O-N 2.93Å; K213-F215 PolarHBondContact O-N 3.04Å; F215-E217 PolarHBondContact O-N 2.92Å; F215-A218 WeakPolarHBondContact O-CB 3.31Å; F215-A218 PolarHBondContact O-N 3.47Å; F215-V219 HydrophobicContact CE1-CG2 4.2Å; F215-V219 HydrophobicContact CZ-CG2 4.29Å; F215-V219 WeakPolarHBondContact O-CG2 3.49Å; F215-V219 PolarHBondContact O-N 2.69Å; F215-H237 HydrophobicContact CB-CB 4.14Å; F215-H237 HydrophobicContact CD1-CB 4.44Å; F215-H237 AromaticContact CD1-ND1 3.66Å; F215-H237 HydrophobicContact CD2-CB 3.85Å; F215-H237 AromaticContact CE1-ND1 3.98Å; F215-H237 HydrophobicContact CE2-CB 4.35Å; F215-H237 WeakPolarHBondContact CE2-O 3.34Å; F215-H237 HydrophobicContact CG-CB 3.89Å; F215-H237 AromaticContact CG-ND1 3.96Å; F215-L240 HydrophobicContact CE2-CB 4.43Å; F215-L240 HydrophobicContact CZ-CB 4.1Å; F215-F246 AromaticContact CE2-CE2 3.74Å; F215-F246 HydrophobicContact CE2-CE2 3.74Å; F215-F246 AromaticContact CE2-CZ 3.67Å; F215-F246 HydrophobicContact CE2-CZ 3.67Å; F215-F246 HydrophobicContact CZ-CE2 4.25Å; F215-F246 AromaticContact CZ-CZ 3.71Å; F215-F246 HydrophobicContact CZ-CZ 3.71Å
216R94.2Very high95.6Very high37 Ų3713.5 Ų13.514%0.147%0.069CC..Hα-helixtrans-60.6-43.5176.5-174.167.8177.2179.310.1111.9D118 Y119 I212 K213 V219 C220 D291D118-R216 IonicContact OD2-CZ 3.24Å; D118-R216 IonicContact OD2-NE 3.57Å; D118-R216 IonicContact OD2-NH1 2.55Å; Y119-R216 HydrophobicContact CD1-CB 4.17Å; Y119-R216 HydrophobicContact CD1-CG 4.04Å; Y119-R216 WeakPolarHBondContact O-CG 3.4Å; Y119-R216 PolarHBondContact O-NE 3.26Å; I212-R216 VanDerWaalsContact O-CB 3.26Å; I212-R216 WeakPolarHBondContact O-CB 3.09Å; I212-R216 PolarHBondContact O-N 2.85Å; K213-R216 CarbonylContact O-C 3.55Å; K213-R216 WeakPolarHBondContact O-CA 3.22Å; K213-R216 WeakPolarHBondContact O-CB 3.37Å; K213-R216 PolarHBondContact O-N 2.9Å; R216-V219 PolarHBondContact O-N 3.35Å; R216-C220 WeakPolarHBondContact O-CB 3.33Å; R216-C220 PolarHBondContact O-N 2.93Å; R216-C220 PolarHBondContact O-SG 3.43Å; R216-D291 IonicContact NH2-OD2 3.94Å
217E95.5Very high95.6Very high15 Ų1513.5 Ų13.57%0.077%0.069CC..Hα-helixtrans-64.1-41.9177.6-68.3177176.900111.9Y119 P122 L194 L198 K213 S214 F215 V219 C220 F221Y119-E217 HydrophobicContact CE1-CG 3.75Å; Y119-E217 WeakPolarHBondContact CE1-OE1 3.02Å; Y119-E217 PolarHBondContact OH-OE1 3.34Å; P122-E217 HydrophobicContact CG-CG 3.87Å; L194-E217 VanDerWaalsContact CD2-OE2 3.26Å; L194-E217 WeakPolarHBondContact CD2-OE2 3.46Å; L198-E217 HydrophobicContact CD1-CB 3.8Å; K213-E217 WeakPolarHBondContact O-CG 3.2Å; K213-E217 PolarHBondContact O-N 2.96Å; S214-E217 PolarHBondContact O-N 3.04Å; F215-E217 PolarHBondContact O-N 2.92Å; E217-V219 VanDerWaalsContact C-N 3.3Å; E217-V219 PolarHBondContact O-N 3.41Å; E217-C220 PolarHBondContact O-N 3.48Å; E217-F221 HydrophobicContact CB-CD2 4.39Å; E217-F221 HydrophobicContact CB-CE2 4.4Å; E217-F221 WeakPolarHBondContact O-CD2 3.24Å; E217-F221 PolarHBondContact O-N 2.85Å
218A97.8Very high95.4Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-57.6-44.8173.900000111.5F206 S214 F215 A222 V223 V225 I277F206-A218 HydrophobicContact CD1-CB 3.9Å; S214-A218 WeakPolarHBondContact O-CB 3.16Å; S214-A218 PolarHBondContact O-N 3.32Å; F215-A218 WeakPolarHBondContact O-CB 3.31Å; F215-A218 PolarHBondContact O-N 3.47Å; A218-A222 CarbonylContact O-C 3.38Å; A218-A222 WeakPolarHBondContact O-CA 3.3Å; A218-A222 PolarHBondContact O-N 3.25Å; A218-V223 PolarHBondContact O-N 3.45Å; A218-V225 HydrophobicContact CB-CG1 3.47Å; A218-V225 VanDerWaalsContact CB-CG1 3.47Å; A218-I277 WeakPolarHBondContact O-CD1 3.48Å
219V97.2Very high95.3Very high2 Ų213.6 Ų13.61%0.0127%0.07CC..Hα-helixtrans-65.1-51.7176.2170.90000110.7F215 R216 E217 F221 A222 F246 F280 S281 V284F215-V219 HydrophobicContact CE1-CG2 4.2Å; F215-V219 HydrophobicContact CZ-CG2 4.29Å; F215-V219 WeakPolarHBondContact O-CG2 3.49Å; F215-V219 PolarHBondContact O-N 2.69Å; R216-V219 PolarHBondContact O-N 3.35Å; E217-V219 VanDerWaalsContact C-N 3.3Å; E217-V219 PolarHBondContact O-N 3.41Å; V219-F221 VanDerWaalsContact C-N 3.27Å; V219-F221 PolarHBondContact O-N 2.79Å; V219-A222 PolarHBondContact O-N 3.02Å; V219-F246 HydrophobicContact CG2-CE2 4.41Å; V219-F246 HydrophobicContact CG2-CZ 4.1Å; V219-F280 HydrophobicContact CB-CD1 4.43Å; V219-F280 HydrophobicContact CG1-CD1 3.63Å; V219-F280 HydrophobicContact CG1-CE1 3.93Å; V219-F280 HydrophobicContact CG2-CD1 3.89Å; V219-F280 HydrophobicContact CG2-CE1 3.95Å; V219-S281 WeakPolarHBondContact O-CB 3.41Å; V219-S281 PolarHBondContact O-OG 3Å; V219-V284 HydrophobicContact CG1-CB 4.24Å; V219-V284 HydrophobicContact CG1-CG1 4.25Å; V219-V284 HydrophobicContact CG1-CG2 4.32Å
220C95.7Very high95Very high17 Ų1712.8 Ų12.812%0.1157%0.066CC..Hα-helixtrans-56-38-178.2-74.40000113.8C121 R216 E217 S281C121-C220 WeakPolarHBondContact CA-SG 3.32Å; C121-C220 HydrophobicContact CB-CB 3.59Å; C121-C220 WeakPolarHBondContact CB-SG 3.16Å; C121-C220 WeakPolarHBondContact SG-CB 3.27Å; C121-C220 CovalentContact SG-SG 2.03Å; C121-C220 PolarHBondContact SG-SG 3.49Å; R216-C220 WeakPolarHBondContact O-CB 3.33Å; R216-C220 PolarHBondContact O-N 2.93Å; R216-C220 PolarHBondContact O-SG 3.43Å; E217-C220 PolarHBondContact O-N 3.48Å; C220-S281 PolarHBondContact O-OG 2.86Å
221F97.2Very high94.5Very high31 Ų3115.1 Ų15.114%0.1368%0.076CC..THydrogen-bonded Turntrans-98.48.1178.9-57.7-57.8000113.1P122 P195 L198 Q199 E217 V219 V223P122-F221 HydrophobicContact CG-CE2 3.83Å; P122-F221 HydrophobicContact CG-CZ 3.85Å; P122-F221 WeakPolarHBondContact O-CZ 3.32Å; P195-F221 HydrophobicContact CB-CE2 3.86Å; P195-F221 HydrophobicContact CB-CZ 4.03Å; L198-F221 HydrophobicContact CB-CB 4.02Å; L198-F221 HydrophobicContact CB-CD2 3.54Å; L198-F221 HydrophobicContact CB-CE2 4.33Å; L198-F221 HydrophobicContact CB-CG 4.05Å; L198-F221 HydrophobicContact CD1-CD2 4.21Å; Q199-F221 HydrophobicContact CB-CD1 3.74Å; Q199-F221 HydrophobicContact CB-CE1 3.81Å; Q199-F221 HydrophobicContact CB-CG 4.31Å; Q199-F221 HydrophobicContact CB-CZ 4.42Å; Q199-F221 HydrophobicContact CG-CD1 4.04Å; Q199-F221 HydrophobicContact CG-CE1 4.08Å; E217-F221 HydrophobicContact CB-CD2 4.39Å; E217-F221 HydrophobicContact CB-CE2 4.4Å; E217-F221 WeakPolarHBondContact O-CD2 3.24Å; E217-F221 PolarHBondContact O-N 2.85Å; V219-F221 VanDerWaalsContact C-N 3.27Å; V219-F221 PolarHBondContact O-N 2.79Å; F221-V223 VanDerWaalsContact C-N 3.3Å; F221-V223 HydrophobicContact CB-CG2 4.21Å; F221-V223 PolarHBondContact O-N 3.46Å
222A98.1Very high94Very high11 Ų1120.3 Ų20.39%0.09111%0.106CC..THydrogen-bonded Turntrans51.543.1179.700000113.6A218 V219 K274 I277A218-A222 CarbonylContact O-C 3.38Å; A218-A222 WeakPolarHBondContact O-CA 3.3Å; A218-A222 PolarHBondContact O-N 3.25Å; V219-A222 PolarHBondContact O-N 3.02Å; A222-K274 VanDerWaalsContact O-CD 3.31Å; A222-K274 WeakPolarHBondContact O-CD 3.34Å; A222-K274 WeakPolarHBondContact O-CE 3.32Å; A222-K274 PolarHBondContact O-NZ 2.78Å; A222-I277 HydrophobicContact CB-CG2 4.11Å; A222-I277 WeakPolarHBondContact O-CG2 3.26Å
223V98.5Very high93.6Very high1 Ų119.2 Ų19.21%0.00610%0.101CC..  trans-101.6116.8177.9-177.40000110.4L198 T203 F206 A218 F221 I277L198-V223 HydrophobicContact CB-CG2 4.29Å; L198-V223 HydrophobicContact CD2-CB 4.16Å; L198-V223 HydrophobicContact CD2-CG1 4.11Å; L198-V223 HydrophobicContact CD2-CG2 4.08Å; L198-V223 VanDerWaalsContact O-CG2 3.29Å; L198-V223 WeakPolarHBondContact O-CG2 3.4Å; T203-V223 HydrophobicContact CG2-CG1 3.95Å; T203-V223 HydrophobicContact CG2-CG2 4.19Å; F206-V223 HydrophobicContact CB-CG1 3.84Å; A218-V223 PolarHBondContact O-N 3.45Å; F221-V223 VanDerWaalsContact C-N 3.3Å; F221-V223 HydrophobicContact CB-CG2 4.21Å; F221-V223 PolarHBondContact O-N 3.46Å; V223-I277 VanDerWaalsContact C-CD1 3.5Å; V223-I277 WeakPolarHBondContact O-CD1 3.48Å
224P98.7Very high93.6Very high1 Ų118 Ų181%0.00610%0.096CC..  trans-52.8154.7175.3-29.338.2000113.4L205 F206 F246 V267 K274 I277L205-P224 HydrophobicContact CD1-CB 4.34Å; F206-P224 PolarHBondContact N-O 3.08Å; P224-F246 WeakPolarHBondContact CA-O 3.27Å; P224-V267 HydrophobicContact CB-CG1 3.4Å; P224-K274 HydrophobicContact CG-CB 3.95Å; P224-K274 HydrophobicContact CG-CD 4.18Å; P224-I277 HydrophobicContact CG-CG2 4.13Å
225V98.7Very high93.4Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-124.7140.1-172.9-62.30000114.7F206 T208 A218 T227 F246 G247 V248F206-V225 HydrophobicContact CB-CG1 4.29Å; F206-V225 HydrophobicContact CD1-CG1 4.4Å; F206-V225 CarbonylContact O-C 3.47Å; F206-V225 WeakPolarHBondContact O-CA 3.3Å; T208-V225 HydrophobicContact CG2-CB 4.43Å; T208-V225 HydrophobicContact CG2-CG1 4.29Å; A218-V225 HydrophobicContact CB-CG1 3.47Å; A218-V225 VanDerWaalsContact CB-CG1 3.47Å; V225-T227 HydrophobicContact CB-CG2 3.92Å; V225-T227 HydrophobicContact CG2-CG2 3.48Å; V225-T227 VanDerWaalsContact CG2-CG2 3.48Å; V225-F246 HydrophobicContact CG2-CD2 4.07Å; V225-F246 HydrophobicContact CG2-CE2 4.26Å; V225-F246 PolarHBondContact N-O 3.31Å; V225-F246 VanDerWaalsContact N-O 3.13Å; V225-G247 CarbonylContact O-C 3.58Å; V225-G247 WeakPolarHBondContact O-CA 3.2Å; V225-V248 PolarHBondContact O-N 3.07Å; V225-V248 VanDerWaalsContact O-N 3.12Å
226V98.6Very high93.1Very high2 Ų224.7 Ų24.71%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-101.9120.1154.1175.50000107.1L205 F206 I207 T208 V248 L250 A263 V267L205-V226 HydrophobicContact CD1-CG2 4.14Å; L205-V226 HydrophobicContact CD2-CG2 4.04Å; L205-V226 HydrophobicContact CG-CG2 4.47Å; F206-V226 PolarHBondContact O-N 2.97Å; I207-V226 VanDerWaalsContact CA-O 3.3Å; I207-V226 WeakPolarHBondContact CA-O 3.42Å; I207-V226 HydrophobicContact CG1-CB 4.23Å; I207-V226 HydrophobicContact CG2-CB 4.4Å; I207-V226 HydrophobicContact CG2-CG1 4.47Å; T208-V226 PolarHBondContact N-O 3.37Å; V226-V248 HydrophobicContact CB-CG2 4.5Å; V226-V248 HydrophobicContact CG1-CG2 4.33Å; V226-V248 HydrophobicContact CG2-CG2 4Å; V226-L250 HydrophobicContact CG1-CD1 3.66Å; V226-L250 HydrophobicContact CG1-CG 3.97Å; V226-A263 HydrophobicContact CG1-CB 3.97Å; V226-A263 HydrophobicContact CG2-CB 4Å; V226-V267 HydrophobicContact CG2-CB 4.44Å; V226-V267 HydrophobicContact CG2-CG2 4.14Å
227T97.4Very high93Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-105.5129-172.566.50000110.5T208 S210 V225 A238 S241 V248 R249 L250T208-T227 CarbonylContact O-C 3.54Å; T208-T227 VanDerWaalsContact O-CA 3.29Å; T208-T227 WeakPolarHBondContact O-CA 3.39Å; S210-T227 WeakPolarHBondContact OG-CB 3.35Å; S210-T227 WeakPolarHBondContact OG-CG2 3.32Å; V225-T227 HydrophobicContact CB-CG2 3.92Å; V225-T227 HydrophobicContact CG2-CG2 3.48Å; V225-T227 VanDerWaalsContact CG2-CG2 3.48Å; T227-A238 HydrophobicContact CG2-CB 4.44Å; T227-A238 VanDerWaalsContact OG1-CB 3.31Å; T227-A238 WeakPolarHBondContact OG1-CB 3.28Å; T227-S241 WeakPolarHBondContact CG2-OG 3.08Å; T227-V248 PolarHBondContact N-O 2.71Å; T227-V248 PolarHBondContact OG1-O 3.23Å; T227-R249 CarbonylContact O-C 3.6Å; T227-R249 WeakPolarHBondContact O-CA 3.32Å; T227-R249 VanDerWaalsContact OG1-CA 3.3Å; T227-R249 WeakPolarHBondContact OG1-CA 3.43Å; T227-R249 WeakPolarHBondContact OG1-CB 3.05Å; T227-L250 PolarHBondContact O-N 2.93Å
228V95.2Very high93Very high0 Ų023 Ų230%011%0.114CC..  trans-126.176.6175.3-172.70000108F148 F165 T208 H209 L230 L250 K252 L255F148-V228 HydrophobicContact CE1-CB 3.82Å; F148-V228 HydrophobicContact CE1-CG1 4.19Å; F148-V228 HydrophobicContact CZ-CB 3.73Å; F148-V228 HydrophobicContact CZ-CG1 4.37Å; F148-V228 HydrophobicContact CZ-CG2 4.09Å; F165-V228 HydrophobicContact CZ-CG2 3.78Å; T208-V228 PolarHBondContact O-N 3.47Å; H209-V228 WeakPolarHBondContact CA-O 3.17Å; V228-L230 PolarHBondContact O-N 3.44Å; V228-L250 HydrophobicContact CG2-CB 3.91Å; V228-L250 HydrophobicContact CG2-CD1 4.09Å; V228-L250 HydrophobicContact CG2-CG 4.44Å; V228-K252 HydrophobicContact CG1-CB 3.95Å; V228-L255 HydrophobicContact CG1-CD1 4.12Å
229P92.8Very high92.7Very high2 Ų225.9 Ų25.91%0.01313%0.132CC..  trans-64.2138.3-174.629.7-36.6000110.5M95 H209 Q234 L235 A238 R249M95-P229 HydrophobicContact CE-CB 3.73Å; M95-P229 HydrophobicContact CE-CG 4.42Å; M95-P229 HydrophobicContact SD-CB 3.59Å; M95-P229 VanDerWaalsContact SD-CB 3.59Å; M95-P229 HydrophobicContact SD-CG 3.62Å; H209-P229 WeakPolarHBondContact O-CA 3.39Å; P229-Q234 HydrophobicContact CB-CB 3.8Å; P229-L235 HydrophobicContact CB-CB 4.42Å; P229-L235 HydrophobicContact CG-CD1 4.05Å; P229-A238 HydrophobicContact CB-CB 4.16Å; P229-A238 HydrophobicContact CG-CB 3.86Å; P229-R249 HydrophobicContact CG-CG 4.1Å
230L88.8Confident92.6Very high1 Ų128.2 Ų28.21%0.00514%0.144CC..  trans-103.4-50.2-178.2-57.8-175.2000111.9I90 W91 M95 F148 H209 V228 Q234 K252I90-L230 HydrophobicContact CG2-CB 3.76Å; I90-L230 HydrophobicContact CG2-CD1 4.21Å; W91-L230 HydrophobicContact CE3-CD2 3.89Å; W91-L230 HydrophobicContact CH2-CD1 4.19Å; W91-L230 HydrophobicContact CH2-CD2 3.85Å; W91-L230 HydrophobicContact CZ2-CD1 4.17Å; W91-L230 HydrophobicContact CZ2-CD2 4.47Å; W91-L230 HydrophobicContact CZ3-CD2 3.51Å; M95-L230 WeakPolarHBondContact CE-O 3.49Å; F148-L230 HydrophobicContact CD1-CD1 3.99Å; F148-L230 HydrophobicContact CD1-CD2 4.46Å; F148-L230 HydrophobicContact CD1-CG 4.27Å; F148-L230 HydrophobicContact CE1-CD2 4.36Å; H209-L230 HydrophobicContact CB-CD1 4.4Å; H209-L230 HydrophobicContact CB-CG 4.08Å; V228-L230 PolarHBondContact O-N 3.44Å; L230-Q234 VanDerWaalsContact CB-OE1 3.25Å; L230-K252 HydrophobicContact CD2-CD 4.05Å; L230-K252 PolarHBondContact O-NZ 3.47Å
231F82.3Confident92.7Very high48 Ų4827.4 Ų27.421%0.21114%0.139CC..SBendtrans-158.2169.1-17961.2-79.5000113.4I90 M95 F151 D233 Q234I90-F231 HydrophobicContact CB-CD1 4.31Å; I90-F231 HydrophobicContact CD1-CD1 3.83Å; I90-F231 HydrophobicContact CD1-CE1 3.83Å; I90-F231 HydrophobicContact CD1-CG 4.27Å; I90-F231 HydrophobicContact CD1-CZ 4.29Å; I90-F231 HydrophobicContact CG1-CB 4.31Å; I90-F231 HydrophobicContact CG1-CD1 3.78Å; I90-F231 HydrophobicContact CG1-CE1 4.31Å; I90-F231 HydrophobicContact CG1-CG 4.05Å; I90-F231 HydrophobicContact CG2-CD1 3.55Å; I90-F231 HydrophobicContact CG2-CE1 4.06Å; I90-F231 HydrophobicContact CG2-CG 4.48Å; M95-F231 VanDerWaalsContact CE-CA 3.44Å; F151-F231 HydrophobicContact CB-CE1 3.68Å; F151-F231 HydrophobicContact CB-CZ 3.46Å; F151-F231 VanDerWaalsContact CB-CZ 3.46Å; F151-F231 HydrophobicContact CD2-CZ 4.08Å; F151-F231 AromaticContact CG-CZ 3.98Å; F151-F231 HydrophobicContact CG-CZ 3.98Å; F231-D233 PolarHBondContact O-N 3.21Å; F231-Q234 VanDerWaalsContact CE1-NE2 3.31Å; F231-Q234 WeakPolarHBondContact O-CB 3.43Å; F231-Q234 WeakPolarHBondContact O-CG 3.48Å; F231-Q234 PolarHBondContact O-N 3.27Å
232V80Confident92.7Very high116 Ų11629.3 Ų29.370%0.70315%0.153SC*.THydrogen-bonded Turntrans55.4-121.4169.5-179.10000113.7Q234V232-Q234 VanDerWaalsContact C-N 3.26Å; V232-Q234 PolarHBondContact O-N 3.34Å
233D80.5Confident92.6Very high54 Ų5434.6 Ų34.629%0.28918%0.178SC..THydrogen-bonded Turntrans-75.2-18.3-170.561.4-49.7000112.7I212 F231 L235 R236 H237I212-D233 PolarHBondContact N-OD2 3.4Å; F231-D233 PolarHBondContact O-N 3.21Å; D233-L235 VanDerWaalsContact C-N 3.29Å; D233-L235 PolarHBondContact O-N 2.88Å; D233-R236 WeakPolarHBondContact O-CB 3.44Å; D233-R236 PolarHBondContact O-N 2.78Å; D233-H237 PolarHBondContact O-CD2 2.85Å; D233-H237 PolarHBondContact O-N 2.88Å; D233-H237 IonicContact OD2-CD2 2.73Å; D233-H237 IonicContact OD2-NE2 3.18Å
234Q90.3Very high92.6Very high5 Ų538.2 Ų38.22%0.02320%0.195CC..Hα-helixtrans-59.3-38.7-173.3-60.5178.816.500112.6H209 P229 L230 F231 V232 R236 H237 A238H209-Q234 PolarHBondContact CD2-NE2 2.99Å; H209-Q234 VanDerWaalsContact CD2-NE2 3.32Å; H209-Q234 PolarHBondContact CD2-OE1 2.87Å; H209-Q234 VanDerWaalsContact O-CB 3.3Å; H209-Q234 WeakPolarHBondContact O-CB 3.24Å; P229-Q234 HydrophobicContact CB-CB 3.8Å; L230-Q234 VanDerWaalsContact CB-OE1 3.25Å; F231-Q234 VanDerWaalsContact CE1-NE2 3.31Å; F231-Q234 WeakPolarHBondContact O-CB 3.43Å; F231-Q234 WeakPolarHBondContact O-CG 3.48Å; F231-Q234 PolarHBondContact O-N 3.27Å; V232-Q234 VanDerWaalsContact C-N 3.26Å; V232-Q234 PolarHBondContact O-N 3.34Å; Q234-R236 VanDerWaalsContact C-N 3.35Å; Q234-H237 PolarHBondContact O-N 3.41Å; Q234-A238 VanDerWaalsContact O-CB 3.31Å; Q234-A238 WeakPolarHBondContact O-CB 3.43Å; Q234-A238 PolarHBondContact O-N 3.46Å
235L89.8Confident92.5Very high31 Ų3139 Ų3916%0.16220%0.203CC..Hα-helixtrans-65.1-40.1177.5-17961.7000111.5M95 P229 D233 A238 V239M95-L235 HydrophobicContact CB-CD2 4.04Å; M95-L235 HydrophobicContact CE-CB 3.94Å; M95-L235 HydrophobicContact SD-CB 4.23Å; M95-L235 HydrophobicContact SD-CD1 4.35Å; P229-L235 HydrophobicContact CB-CB 4.42Å; P229-L235 HydrophobicContact CG-CD1 4.05Å; D233-L235 VanDerWaalsContact C-N 3.29Å; D233-L235 PolarHBondContact O-N 2.88Å; L235-A238 PolarHBondContact O-N 2.81Å; L235-V239 HydrophobicContact CD1-CG2 4.3Å; L235-V239 HydrophobicContact CG-CG2 4.49Å; L235-V239 WeakPolarHBondContact O-CB 3.44Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.36Å
236R88.1Confident92.5Very high144 Ų14439 Ų3954%0.54320%0.203SC..Hα-helixtrans-61.6-47177.6-178.6-176.6175.5-155.30.3110.5D233 Q234 V239 L240D233-R236 WeakPolarHBondContact O-CB 3.44Å; D233-R236 PolarHBondContact O-N 2.78Å; Q234-R236 VanDerWaalsContact C-N 3.35Å; R236-V239 PolarHBondContact O-N 3.46Å; R236-L240 HydrophobicContact CG-CD1 4.37Å; R236-L240 WeakPolarHBondContact O-CG 3.41Å; R236-L240 PolarHBondContact O-N 3.17Å
237H92.8Very high92.5Very high16 Ų1639 Ų397%0.07420%0.204CC..Hα-helixtrans-65.9-38.8177.2-67.1-57.3000112.8S210 F215 D233 Q234 L240 S241S210-H237 WeakPolarHBondContact O-CB 3.23Å; S210-H237 PolarHBondContact O-CD2 3.31Å; F215-H237 HydrophobicContact CB-CB 4.14Å; F215-H237 HydrophobicContact CD1-CB 4.44Å; F215-H237 AromaticContact CD1-ND1 3.66Å; F215-H237 HydrophobicContact CD2-CB 3.85Å; F215-H237 AromaticContact CE1-ND1 3.98Å; F215-H237 HydrophobicContact CE2-CB 4.35Å; F215-H237 WeakPolarHBondContact CE2-O 3.34Å; F215-H237 HydrophobicContact CG-CB 3.89Å; F215-H237 AromaticContact CG-ND1 3.96Å; D233-H237 PolarHBondContact O-CD2 2.85Å; D233-H237 PolarHBondContact O-N 2.88Å; D233-H237 IonicContact OD2-CD2 2.73Å; D233-H237 IonicContact OD2-NE2 3.18Å; Q234-H237 PolarHBondContact O-N 3.41Å; H237-L240 PolarHBondContact O-N 3Å; H237-S241 PolarHBondContact O-N 2.96Å
238A93.9Very high92.5Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-59.3-47.1171.900000111.6T227 P229 Q234 L235 L240 S241 V242 R249T227-A238 HydrophobicContact CG2-CB 4.44Å; T227-A238 VanDerWaalsContact OG1-CB 3.31Å; T227-A238 WeakPolarHBondContact OG1-CB 3.28Å; P229-A238 HydrophobicContact CB-CB 4.16Å; P229-A238 HydrophobicContact CG-CB 3.86Å; Q234-A238 VanDerWaalsContact O-CB 3.31Å; Q234-A238 WeakPolarHBondContact O-CB 3.43Å; Q234-A238 PolarHBondContact O-N 3.46Å; L235-A238 PolarHBondContact O-N 2.81Å; A238-L240 PolarHBondContact O-N 3.04Å; A238-S241 PolarHBondContact O-N 3.36Å; A238-S241 PolarHBondContact O-OG 3.46Å; A238-V242 PolarHBondContact O-N 3.27Å; A238-R249 HydrophobicContact CB-CG 3.96Å
239V93.2Very high92.6Very high61 Ų6145.8 Ų45.837%0.3723%0.233SC..Hα-helixtrans-62.6-42.4176.4169.40000111.5L235 R236 S241 V242 I243L235-V239 HydrophobicContact CD1-CG2 4.3Å; L235-V239 HydrophobicContact CG-CG2 4.49Å; L235-V239 WeakPolarHBondContact O-CB 3.44Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.36Å; R236-V239 PolarHBondContact O-N 3.46Å; V239-S241 VanDerWaalsContact C-N 3.3Å; V239-S241 PolarHBondContact O-N 2.91Å; V239-V242 PolarHBondContact O-N 3.33Å; V239-V242 VanDerWaalsContact O-N 3.14Å; V239-I243 HydrophobicContact CG1-CD1 3.57Å; V239-I243 HydrophobicContact CG1-CG1 4.13Å; V239-I243 WeakPolarHBondContact O-CG1 3.28Å; V239-I243 PolarHBondContact O-N 3.29Å
240L93.8Very high92.8Very high51 Ų5146.7 Ų46.727%0.26724%0.237SC..Hα-helixtrans-58.6-41.2174.9-73.1170000112.1F215 R236 H237 A238 V242 I243 H244F215-L240 HydrophobicContact CE2-CB 4.43Å; F215-L240 HydrophobicContact CZ-CB 4.1Å; R236-L240 HydrophobicContact CG-CD1 4.37Å; R236-L240 WeakPolarHBondContact O-CG 3.41Å; R236-L240 PolarHBondContact O-N 3.17Å; H237-L240 PolarHBondContact O-N 3Å; A238-L240 PolarHBondContact O-N 3.04Å; L240-V242 VanDerWaalsContact C-N 3.27Å; L240-V242 PolarHBondContact O-N 3.31Å; L240-I243 PolarHBondContact O-N 2.79Å; L240-H244 WeakPolarHBondContact O-CB 3.14Å; L240-H244 PolarHBondContact O-CD2 3.37Å; L240-H244 PolarHBondContact O-N 3.42Å
241S97.2Very high92.9Very high0 Ų049.1 Ų49.10%025%0.25CC..Hα-helixtrans-61.4-35.5176.877.80000113.2T227 H237 A238 V239 G245 F246 G247T227-S241 WeakPolarHBondContact CG2-OG 3.08Å; H237-S241 PolarHBondContact O-N 2.96Å; A238-S241 PolarHBondContact O-N 3.36Å; A238-S241 PolarHBondContact O-OG 3.46Å; V239-S241 VanDerWaalsContact C-N 3.3Å; V239-S241 PolarHBondContact O-N 2.91Å; S241-G245 PolarHBondContact O-N 2.99Å; S241-G245 VanDerWaalsContact O-N 3.16Å; S241-F246 VanDerWaalsContact CA-CE2 3.44Å; S241-F246 PolarHBondContact O-N 2.65Å; S241-G247 PolarHBondContact O-N 3.04Å; S241-G247 VanDerWaalsContact O-N 3.17Å
242V97.7Very high93.3Very high72 Ų7247.3 Ų47.344%0.43624%0.242SC..Hα-helixtrans-74.1-47.4177.1175.50000110.7A238 V239 L240 H244 G245 R249A238-V242 PolarHBondContact O-N 3.27Å; V239-V242 PolarHBondContact O-N 3.33Å; V239-V242 VanDerWaalsContact O-N 3.14Å; L240-V242 VanDerWaalsContact C-N 3.27Å; L240-V242 PolarHBondContact O-N 3.31Å; V242-H244 VanDerWaalsContact C-N 3.32Å; V242-H244 PolarHBondContact O-N 2.9Å; V242-G245 WeakPolarHBondContact O-CA 3.41Å; V242-G245 PolarHBondContact O-N 3.3Å; V242-R249 HydrophobicContact CG2-CB 3.99Å
243I96.9Very high93.7Very high121 Ų12144.2 Ų44.262%0.62122%0.224SC*.Hα-helixtrans-58.9-44179.6-71172.5000111V239 L240 G245V239-I243 HydrophobicContact CG1-CD1 3.57Å; V239-I243 HydrophobicContact CG1-CG1 4.13Å; V239-I243 WeakPolarHBondContact O-CG1 3.28Å; V239-I243 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 2.79Å; I243-G245 VanDerWaalsContact C-N 3.25Å; I243-G245 PolarHBondContact O-N 2.78Å
244H97.1Very high94.2Very high78 Ų7848.4 Ų48.436%0.36124%0.239SC..THydrogen-bonded Turntrans-81.4-4.7178.1-67.9-61.5000113.5L240 V242 F246 F280L240-H244 WeakPolarHBondContact O-CB 3.14Å; L240-H244 PolarHBondContact O-CD2 3.37Å; L240-H244 PolarHBondContact O-N 3.42Å; V242-H244 VanDerWaalsContact C-N 3.32Å; V242-H244 PolarHBondContact O-N 2.9Å; H244-F246 HydrophobicContact CB-CD1 3.51Å; H244-F246 HydrophobicContact CB-CE1 3.35Å; H244-F246 HydrophobicContact CB-CZ 4.43Å; H244-F280 AromaticContact CD2-CE2 3.92Å; H244-F280 AromaticContact CE1-CE2 3.89Å; H244-F280 AromaticContact CG-CE2 3.96Å; H244-F280 AromaticContact ND1-CE2 3.94Å; H244-F280 AromaticContact NE2-CE2 3.88Å
245G98Very high94.4Very high16 Ų1649.2 Ų49.217%0.16524%0.244CC..THydrogen-bonded Turntrans7426.8169.800000114.7S241 V242 I243 Y273 R276S241-G245 PolarHBondContact O-N 2.99Å; S241-G245 VanDerWaalsContact O-N 3.16Å; V242-G245 WeakPolarHBondContact O-CA 3.41Å; V242-G245 PolarHBondContact O-N 3.3Å; I243-G245 VanDerWaalsContact C-N 3.25Å; I243-G245 PolarHBondContact O-N 2.78Å; G245-Y273 VanDerWaalsContact O-CD1 3.3Å; G245-Y273 WeakPolarHBondContact O-CD1 3.44Å; G245-R276 WeakPolarHBondContact O-CB 3.4Å; G245-R276 WeakPolarHBondContact O-CG 2.9Å
246F98.2Very high94.7Very high0 Ų050.1 Ų50.10%025%0.252CS..SBendtrans-111.74.5177.457.6-108.4000114.7F215 V219 P224 V225 S241 H244 R276 I277 F280F215-F246 AromaticContact CE2-CE2 3.74Å; F215-F246 HydrophobicContact CE2-CE2 3.74Å; F215-F246 AromaticContact CE2-CZ 3.67Å; F215-F246 HydrophobicContact CE2-CZ 3.67Å; F215-F246 HydrophobicContact CZ-CE2 4.25Å; F215-F246 AromaticContact CZ-CZ 3.71Å; F215-F246 HydrophobicContact CZ-CZ 3.71Å; V219-F246 HydrophobicContact CG2-CE2 4.41Å; V219-F246 HydrophobicContact CG2-CZ 4.1Å; P224-F246 WeakPolarHBondContact CA-O 3.27Å; V225-F246 HydrophobicContact CG2-CD2 4.07Å; V225-F246 HydrophobicContact CG2-CE2 4.26Å; V225-F246 PolarHBondContact N-O 3.31Å; V225-F246 VanDerWaalsContact N-O 3.13Å; S241-F246 VanDerWaalsContact CA-CE2 3.44Å; S241-F246 PolarHBondContact O-N 2.65Å; H244-F246 HydrophobicContact CB-CD1 3.51Å; H244-F246 HydrophobicContact CB-CE1 3.35Å; H244-F246 HydrophobicContact CB-CZ 4.43Å; F246-R276 HydrophobicContact CB-CB 4.21Å; F246-I277 HydrophobicContact CB-CB 3.54Å; F246-I277 HydrophobicContact CB-CD1 4.33Å; F246-I277 HydrophobicContact CB-CG1 4.02Å; F246-I277 HydrophobicContact CD1-CG1 4.33Å; F246-I277 HydrophobicContact CD2-CD1 3.84Å; F246-I277 HydrophobicContact CD2-CG1 4.09Å; F246-I277 HydrophobicContact CE2-CD1 4.32Å; F246-I277 HydrophobicContact CG-CB 4.03Å; F246-I277 HydrophobicContact CG-CD1 4.18Å; F246-I277 HydrophobicContact CG-CG1 3.94Å; F246-F280 HydrophobicContact CD1-CB 4.47Å; F246-F280 HydrophobicContact CD1-CG 4.48Å; F246-F280 HydrophobicContact CE1-CB 4.45Å; F246-F280 AromaticContact CE1-CD1 3.79Å; F246-F280 HydrophobicContact CE1-CD1 3.79Å; F246-F280 HydrophobicContact CE1-CE1 4.13Å; F246-F280 HydrophobicContact CE1-CG 4Å; F246-F280 HydrophobicContact CZ-CD1 4.32Å; F246-F280 HydrophobicContact CZ-CE1 4.41Å
247G98.3Very high95.1Very high3 Ų347.2 Ų47.23%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-158.6177.1171.600000113.7V225 S241V225-G247 CarbonylContact O-C 3.58Å; V225-G247 WeakPolarHBondContact O-CA 3.2Å; S241-G247 PolarHBondContact O-N 3.04Å; S241-G247 VanDerWaalsContact O-N 3.17Å
248V98.2Very high95.4Very high31 Ų3151.8 Ų51.819%0.18827%0.265CS..EExtended strand (participates in β ladder)trans-121156.9170.8-59.20000109.8V225 V226 T227 A263 V267 Y273V225-V248 PolarHBondContact O-N 3.07Å; V225-V248 VanDerWaalsContact O-N 3.12Å; V226-V248 HydrophobicContact CB-CG2 4.5Å; V226-V248 HydrophobicContact CG1-CG2 4.33Å; V226-V248 HydrophobicContact CG2-CG2 4Å; T227-V248 PolarHBondContact N-O 2.71Å; T227-V248 PolarHBondContact OG1-O 3.23Å; V248-A263 HydrophobicContact CG2-CB 3.8Å; V248-V267 HydrophobicContact CB-CG2 4.3Å; V248-V267 HydrophobicContact CG1-CG2 3.83Å; V248-V267 HydrophobicContact CG2-CG2 3.69Å; V248-Y273 HydrophobicContact CG1-CE1 4.07Å
249R96.8Very high95.6Very high112 Ų11254.2 Ų54.242%0.42328%0.28SS..EExtended strand (participates in β ladder)trans-113.5126.7177.9-175.1-176.671.485.8-0.3110.5T227 P229 A238 V242T227-R249 CarbonylContact O-C 3.6Å; T227-R249 WeakPolarHBondContact O-CA 3.32Å; T227-R249 VanDerWaalsContact OG1-CA 3.3Å; T227-R249 WeakPolarHBondContact OG1-CA 3.43Å; T227-R249 WeakPolarHBondContact OG1-CB 3.05Å; P229-R249 HydrophobicContact CG-CG 4.1Å; A238-R249 HydrophobicContact CB-CG 3.96Å; V242-R249 HydrophobicContact CG2-CB 3.99Å
250L96.4Very high95.8Very high21 Ų2151.3 Ų51.311%0.1126%0.263CS..  trans-96.9145.9168.9-62.8177.8000110.4V226 T227 V228 L255 V260 A263V226-L250 HydrophobicContact CG1-CD1 3.66Å; V226-L250 HydrophobicContact CG1-CG 3.97Å; T227-L250 PolarHBondContact O-N 2.93Å; V228-L250 HydrophobicContact CG2-CB 3.91Å; V228-L250 HydrophobicContact CG2-CD1 4.09Å; V228-L250 HydrophobicContact CG2-CG 4.44Å; L250-L255 HydrophobicContact CB-CD2 3.78Å; L250-L255 HydrophobicContact CD1-CD2 3.82Å; L250-L255 HydrophobicContact CG-CD2 4.35Å; L250-V260 HydrophobicContact CD1-CG2 4.24Å; L250-A263 HydrophobicContact CD1-CB 4.03Å; L250-A263 HydrophobicContact CD2-CB 3.95Å; L250-A263 HydrophobicContact CG-CB 4.19Å
251D91.8Very high95.9Very high51 Ų5151 Ų5127%0.27326%0.26SS..  trans-88.9115.1170.8-178.3-15.8000108.4T253 K254 L255D251-T253 VanDerWaalsContact CG-OG1 3.29Å; D251-T253 PolarHBondContact O-N 3.43Å; D251-T253 WeakPolarHBondContact OD1-CB 3.03Å; D251-T253 PolarHBondContact OD1-N 3.26Å; D251-T253 PolarHBondContact OD1-OG1 3.23Å; D251-T253 PolarHBondContact OD2-OG1 2.63Å; D251-K254 HydrophobicContact CB-CB 4.22Å; D251-K254 HydrophobicContact CB-CD 4.35Å; D251-K254 HydrophobicContact CB-CG 4.31Å; D251-K254 CarbonylContact O-C 3.56Å; D251-K254 PolarHBondContact O-N 3Å; D251-L255 PolarHBondContact O-N 3.43Å
252K90.3Very high96Very high10 Ų1054.3 Ų54.34%0.04328%0.277CS..G310 helixtrans-54.3-24.7179.371.9-173.9179.7-170.50113.3I90 Q93 V228 L230I90-K252 WeakPolarHBondContact O-CE 3.32Å; I90-K252 PolarHBondContact O-NZ 3.41Å; Q93-K252 WeakPolarHBondContact O-CE 3.17Å; Q93-K252 PolarHBondContact O-NZ 2.92Å; V228-K252 HydrophobicContact CG1-CB 3.95Å; L230-K252 HydrophobicContact CD2-CD 4.05Å; L230-K252 PolarHBondContact O-NZ 3.47Å
253T88Confident96Very high52 Ų5251.3 Ų51.332%0.31926%0.26SS..G310 helixtrans-86.7-4179.571.60000114K94 D251K94-T253 HydrophobicContact CG-CG2 4.01Å; D251-T253 VanDerWaalsContact CG-OG1 3.29Å; D251-T253 PolarHBondContact O-N 3.43Å; D251-T253 WeakPolarHBondContact OD1-CB 3.03Å; D251-T253 PolarHBondContact OD1-N 3.26Å; D251-T253 PolarHBondContact OD1-OG1 3.23Å; D251-T253 PolarHBondContact OD2-OG1 2.63Å
254K91.4Very high96.1Very high142 Ų14245.5 Ų45.562%0.61723%0.23SC*.G310 helixtrans-130.924.5-177.8-56.7-178.8-177.51790112.4D251D251-K254 HydrophobicContact CB-CB 4.22Å; D251-K254 HydrophobicContact CB-CD 4.35Å; D251-K254 HydrophobicContact CB-CG 4.31Å; D251-K254 CarbonylContact O-C 3.56Å; D251-K254 PolarHBondContact O-N 3Å
255L95.1Very high96.1Very high22 Ų2242.9 Ų42.912%0.11522%0.219CC..  trans-70.8136.8178.1-67.7174.3000110.5V161 A164 F165 V228 L250 D251 V260V161-L255 HydrophobicContact CB-CD1 4.39Å; V161-L255 HydrophobicContact CG1-CD1 3.68Å; V161-L255 HydrophobicContact CG2-CD1 4.2Å; A164-L255 HydrophobicContact CB-CB 3.93Å; F165-L255 HydrophobicContact CE2-CD1 3.75Å; F165-L255 HydrophobicContact CZ-CD1 4.27Å; V228-L255 HydrophobicContact CG1-CD1 4.12Å; L250-L255 HydrophobicContact CB-CD2 3.78Å; L250-L255 HydrophobicContact CD1-CD2 3.82Å; L250-L255 HydrophobicContact CG-CD2 4.35Å; D251-L255 PolarHBondContact O-N 3.43Å; L255-V260 HydrophobicContact CD2-CG2 4.08Å
256S96.5Very high96.1Very high49 Ų4945 Ų4534%0.34323%0.229SC..  trans-147.4164.3170.9730000108.2Q258 T259 V260S256-Q258 PolarHBondContact O-N 2.87Å; S256-Q258 PolarHBondContact OG-N 3.07Å; S256-T259 PolarHBondContact N-OG1 2.93Å; S256-T259 PolarHBondContact O-N 3.39Å; S256-T259 VanDerWaalsContact O-N 3.15Å; S256-T259 PolarHBondContact O-OG1 3.19Å; S256-T259 VanDerWaalsContact O-OG1 3.07Å; S256-T259 PolarHBondContact OG-N 2.94Å; S256-T259 PolarHBondContact OG-OG1 2.85Å; S256-V260 PolarHBondContact O-N 2.66Å; S256-V260 VanDerWaalsContact O-N 3.08Å
257K96.3Very high96.1Very high83 Ų8345.1 Ų45.136%0.36123%0.23SC..Hα-helixtrans-47.4-46.6172.8178.7179-179.7168.90111.6S167 A168 D171 H261S167-K257 VanDerWaalsContact O-CE 3.28Å; S167-K257 WeakPolarHBondContact O-CE 3.35Å; A168-K257 HydrophobicContact CB-CG 4.42Å; D171-K257 WeakPolarHBondContact OD1-CE 3.45Å; D171-K257 IonicContact OD1-NZ 3.85Å; D171-K257 PolarHBondContact OD1-NZ 3.2Å; D171-K257 WeakPolarHBondContact OD2-CE 3.36Å; D171-K257 IonicContact OD2-NZ 2.81Å; D171-K257 PolarHBondContact OD2-NZ 3.45Å; K257-H261 WeakPolarHBondContact O-CB 3.48Å; K257-H261 PolarHBondContact O-N 2.67Å
258Q97.9Very high96Very high112 Ų11246.1 Ų46.152%0.52324%0.238SC..Hα-helixtrans-66.1-42.7-177.9-168.665.845.900112.8S256 N262S256-Q258 PolarHBondContact O-N 2.87Å; S256-Q258 PolarHBondContact OG-N 3.07Å; Q258-N262 PolarHBondContact NE2-ND2 3.26Å; Q258-N262 PolarHBondContact NE2-OD1 3.35Å; Q258-N262 VanDerWaalsContact O-CB 3.24Å; Q258-N262 WeakPolarHBondContact O-CB 3.35Å; Q258-N262 PolarHBondContact O-N 3.28Å; Q258-N262 PolarHBondContact O-ND2 2.96Å
259T97.9Very high96Very high51 Ų5150.1 Ų50.131%0.31326%0.255SS..Hα-helixtrans-69.6-38.6-177.556.10000111.5S256 A263S256-T259 PolarHBondContact N-OG1 2.93Å; S256-T259 PolarHBondContact O-N 3.39Å; S256-T259 VanDerWaalsContact O-N 3.15Å; S256-T259 PolarHBondContact O-OG1 3.19Å; S256-T259 VanDerWaalsContact O-OG1 3.07Å; S256-T259 PolarHBondContact OG-N 2.94Å; S256-T259 PolarHBondContact OG-OG1 2.85Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 3.37Å; T259-A263 VanDerWaalsContact O-N 3.1Å
260V97.4Very high96Very high1 Ų148.3 Ų48.31%0.00625%0.254CS..Hα-helixtrans-66.9-51.2174.8175.40000110.9A164 F165 A168 F169 L250 L255 S256 N262 A263 I264A164-V260 HydrophobicContact CB-CG2 4.28Å; F165-V260 HydrophobicContact CD1-CB 4.41Å; F165-V260 HydrophobicContact CD1-CG1 3.53Å; F165-V260 HydrophobicContact CD1-CG2 3.93Å; F165-V260 HydrophobicContact CE1-CG1 3.85Å; F165-V260 HydrophobicContact CE1-CG2 3.91Å; F165-V260 HydrophobicContact CG-CG1 4.46Å; F165-V260 HydrophobicContact CG-CG2 4.38Å; F165-V260 HydrophobicContact CZ-CG2 4.36Å; A168-V260 HydrophobicContact CB-CB 3.78Å; A168-V260 HydrophobicContact CB-CG1 3.55Å; F169-V260 HydrophobicContact CE1-CG1 4.26Å; L250-V260 HydrophobicContact CD1-CG2 4.24Å; L255-V260 HydrophobicContact CD2-CG2 4.08Å; S256-V260 PolarHBondContact O-N 2.66Å; S256-V260 VanDerWaalsContact O-N 3.08Å; V260-N262 PolarHBondContact O-N 3.18Å; V260-A263 PolarHBondContact O-N 3.45Å; V260-I264 HydrophobicContact CG1-CD1 3.69Å; V260-I264 WeakPolarHBondContact O-CG1 3.29Å; V260-I264 PolarHBondContact O-N 2.77Å
261H97.3Very high96Very high45 Ų4551.9 Ų51.921%0.20827%0.273CS..Hα-helixtrans-55.3-50.4178.8177.2-80.1000111.2A168 K257 A263 I264 T265A168-H261 HydrophobicContact CB-CB 4.23Å; K257-H261 WeakPolarHBondContact O-CB 3.48Å; K257-H261 PolarHBondContact O-N 2.67Å; H261-A263 VanDerWaalsContact C-N 3.33Å; H261-A263 PolarHBondContact O-N 2.8Å; H261-I264 PolarHBondContact O-N 3.33Å; H261-T265 PolarHBondContact O-N 3.38Å; H261-T265 PolarHBondContact O-OG1 3.42Å
262N98.1Very high96.4Very high69 Ų6954.8 Ų54.837%0.36928%0.283SS..Hα-helixtrans-61.6-39.5179.8-73.9-4.4000112.7Q258 V260 T265 T266Q258-N262 PolarHBondContact NE2-ND2 3.26Å; Q258-N262 PolarHBondContact NE2-OD1 3.35Å; Q258-N262 VanDerWaalsContact O-CB 3.24Å; Q258-N262 WeakPolarHBondContact O-CB 3.35Å; Q258-N262 PolarHBondContact O-N 3.28Å; Q258-N262 PolarHBondContact O-ND2 2.96Å; V260-N262 PolarHBondContact O-N 3.18Å; N262-T265 PolarHBondContact O-OG1 2.98Å; N262-T266 WeakPolarHBondContact O-CB 3.37Å; N262-T266 PolarHBondContact O-N 2.81Å; N262-T266 PolarHBondContact O-OG1 2.8Å
263A98.4Very high96.8Very high8 Ų856.1 Ų56.17%0.06629%0.288CS..Hα-helixtrans-64.8-41.7177.800000111.7V226 V248 L250 T259 V260 H261 V267V226-A263 HydrophobicContact CG1-CB 3.97Å; V226-A263 HydrophobicContact CG2-CB 4Å; V248-A263 HydrophobicContact CG2-CB 3.8Å; L250-A263 HydrophobicContact CD1-CB 4.03Å; L250-A263 HydrophobicContact CD2-CB 3.95Å; L250-A263 HydrophobicContact CG-CB 4.19Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 3.37Å; T259-A263 VanDerWaalsContact O-N 3.1Å; V260-A263 PolarHBondContact O-N 3.45Å; H261-A263 VanDerWaalsContact C-N 3.33Å; H261-A263 PolarHBondContact O-N 2.8Å; A263-V267 WeakPolarHBondContact O-CG2 3.31Å; A263-V267 PolarHBondContact O-N 3.23Å; A263-V267 VanDerWaalsContact O-N 3.08Å
264I97.8Very high97.3Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-65.3-52.7179.3-66.7163.3000110.6V144 F169 L172 L205 I207 V260 H261 T266 V267 A268V144-I264 HydrophobicContact CG2-CG2 4.47Å; F169-I264 HydrophobicContact CD1-CD1 3.98Å; F169-I264 HydrophobicContact CE1-CD1 3.61Å; L172-I264 HydrophobicContact CD1-CB 3.99Å; L172-I264 HydrophobicContact CD1-CD1 3.75Å; L172-I264 HydrophobicContact CD1-CG1 4.5Å; L172-I264 HydrophobicContact CD1-CG2 3.66Å; L205-I264 HydrophobicContact CD2-CB 4.05Å; L205-I264 HydrophobicContact CD2-CG1 3.98Å; L205-I264 HydrophobicContact CD2-CG2 3.75Å; I207-I264 HydrophobicContact CD1-CD1 3.84Å; I207-I264 HydrophobicContact CD1-CG1 3.94Å; V260-I264 HydrophobicContact CG1-CD1 3.69Å; V260-I264 WeakPolarHBondContact O-CG1 3.29Å; V260-I264 PolarHBondContact O-N 2.77Å; H261-I264 PolarHBondContact O-N 3.33Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.07Å; I264-V267 PolarHBondContact O-N 3.04Å; I264-A268 WeakPolarHBondContact O-CB 3.36Å; I264-A268 PolarHBondContact O-N 3.27Å
265T97.5Very high97.6Very high22 Ų2256 Ų5614%0.13529%0.285CS..Hα-helixtrans-61.8-43.218055.50000111.2L172 H261 N262 V267 E269L172-T265 HydrophobicContact CD2-CG2 3.91Å; H261-T265 PolarHBondContact O-N 3.38Å; H261-T265 PolarHBondContact O-OG1 3.42Å; N262-T265 PolarHBondContact O-OG1 2.98Å; T265-V267 PolarHBondContact O-N 3.2Å; T265-E269 WeakPolarHBondContact O-CB 3.38Å; T265-E269 WeakPolarHBondContact O-CG 3.37Å; T265-E269 PolarHBondContact O-N 3.03Å
266T98.3Very high97.8Very high61 Ų6161.1 Ų61.137%0.37430%0.303SS..Hα-helixtrans-57.1-46.8177.6-63.50000112.1N262 I264 N270 Y273N262-T266 WeakPolarHBondContact O-CB 3.37Å; N262-T266 PolarHBondContact O-N 2.81Å; N262-T266 PolarHBondContact O-OG1 2.8Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.07Å; T266-N270 WeakPolarHBondContact O-CB 3.46Å; T266-N270 PolarHBondContact O-N 3.07Å; T266-Y273 HydrophobicContact CG2-CE2 3.9Å; T266-Y273 WeakPolarHBondContact O-CE2 3.43Å
267V98.5Very high97.9Very high3 Ų358.8 Ų58.82%0.01829%0.286CS..Hα-helixtrans-81.4-40.2-175.2-177.10000112.1L205 P224 V226 V248 A263 I264 T265 Y273L205-V267 HydrophobicContact CD1-CB 3.68Å; L205-V267 HydrophobicContact CD1-CG1 3.31Å; P224-V267 HydrophobicContact CB-CG1 3.4Å; V226-V267 HydrophobicContact CG2-CB 4.44Å; V226-V267 HydrophobicContact CG2-CG2 4.14Å; V248-V267 HydrophobicContact CB-CG2 4.3Å; V248-V267 HydrophobicContact CG1-CG2 3.83Å; V248-V267 HydrophobicContact CG2-CG2 3.69Å; A263-V267 WeakPolarHBondContact O-CG2 3.31Å; A263-V267 PolarHBondContact O-N 3.23Å; A263-V267 VanDerWaalsContact O-N 3.08Å; I264-V267 PolarHBondContact O-N 3.04Å; T265-V267 PolarHBondContact O-N 3.2Å; V267-Y273 HydrophobicContact CB-CD2 4.29Å; V267-Y273 HydrophobicContact CG1-CD1 4.47Å; V267-Y273 HydrophobicContact CG1-CD2 4.19Å; V267-Y273 HydrophobicContact CG1-CG 3.97Å; V267-Y273 HydrophobicContact CG2-CD2 4.34Å; V267-Y273 HydrophobicContact CG2-CE1 4.42Å; V267-Y273 HydrophobicContact CG2-CE2 4.25Å; V267-Y273 HydrophobicContact CG2-CG 4.48Å
268A97.1Very high98Very high24 Ų2458 Ų5820%0.19829%0.288CS..Hα-helixtrans-72.6-35.2-177.500000112.9Y175 I264Y175-A268 HydrophobicContact CE1-CB 4.3Å; I264-A268 WeakPolarHBondContact O-CB 3.36Å; I264-A268 PolarHBondContact O-N 3.27Å
269E96.4Very high98Very high114 Ų11459 Ų5953%0.53329%0.291SS..Hα-helixtrans-93-21.4-175-57.8179.5164.800112.7Y175 T265 N271Y175-E269 WeakPolarHBondContact OH-CG 3.3Å; T265-E269 WeakPolarHBondContact O-CB 3.38Å; T265-E269 WeakPolarHBondContact O-CG 3.37Å; T265-E269 PolarHBondContact O-N 3.03Å; E269-N271 PolarHBondContact O-N 3.36Å
270N97.5Very high98Very high75 Ų7558.4 Ų58.440%0.40128%0.284SS..  trans-93102.3177.1-169.1-21.4000111.6T266 K272 Y273T266-N270 WeakPolarHBondContact O-CB 3.46Å; T266-N270 PolarHBondContact O-N 3.07Å; N270-K272 PolarHBondContact O-N 3.34Å; N270-K272 WeakPolarHBondContact OD1-CB 3.17Å; N270-K272 PolarHBondContact OD1-N 2.92Å; N270-Y273 HydrophobicContact CB-CD2 3.92Å; N270-Y273 HydrophobicContact CB-CE2 3.97Å; N270-Y273 WeakPolarHBondContact O-CD2 3.47Å; N270-Y273 PolarHBondContact O-N 3.33Å; N270-Y273 VanDerWaalsContact O-N 3.16Å
271N97.4Very high98Very high96 Ų9659 Ų5951%0.51329%0.288SS..Hα-helixtrans-57.8-17.3-179.1-165.337.7000114.3E269 Y273 K274 Q275E269-N271 PolarHBondContact O-N 3.36Å; N271-Y273 PolarHBondContact O-N 3.49Å; N271-K274 PolarHBondContact O-N 3.02Å; N271-Q275 PolarHBondContact ND2-NE2 3.41Å; N271-Q275 WeakPolarHBondContact O-CB 3.28Å; N271-Q275 VanDerWaalsContact O-CG 3.3Å; N271-Q275 WeakPolarHBondContact O-CG 3.39Å; N271-Q275 PolarHBondContact O-N 2.87Å
272K98.4Very high98Very high111 Ų11159.8 Ų59.848%0.48330%0.303SS..Hα-helixtrans-52.9-41.6174.4-179-176.1173.6-175.40111.9N270 Q275 R276N270-K272 PolarHBondContact O-N 3.34Å; N270-K272 WeakPolarHBondContact OD1-CB 3.17Å; N270-K272 PolarHBondContact OD1-N 2.92Å; K272-Q275 PolarHBondContact O-N 3.06Å; K272-R276 HydrophobicContact CG-CG 4.36Å; K272-R276 WeakPolarHBondContact O-CB 3.46Å; K272-R276 WeakPolarHBondContact O-CG 3.44Å; K272-R276 PolarHBondContact O-N 2.91Å
273Y98.7Very high97.9Very high38 Ų3861.8 Ų61.815%0.14931%0.311CS..Hα-helixtrans-66.9-43.6-179-63.8-80.3000111.4G245 V248 T266 V267 N270 N271 R276 I277G245-Y273 VanDerWaalsContact O-CD1 3.3Å; G245-Y273 WeakPolarHBondContact O-CD1 3.44Å; V248-Y273 HydrophobicContact CG1-CE1 4.07Å; T266-Y273 HydrophobicContact CG2-CE2 3.9Å; T266-Y273 WeakPolarHBondContact O-CE2 3.43Å; V267-Y273 HydrophobicContact CB-CD2 4.29Å; V267-Y273 HydrophobicContact CG1-CD1 4.47Å; V267-Y273 HydrophobicContact CG1-CD2 4.19Å; V267-Y273 HydrophobicContact CG1-CG 3.97Å; V267-Y273 HydrophobicContact CG2-CD2 4.34Å; V267-Y273 HydrophobicContact CG2-CE1 4.42Å; V267-Y273 HydrophobicContact CG2-CE2 4.25Å; V267-Y273 HydrophobicContact CG2-CG 4.48Å; N270-Y273 HydrophobicContact CB-CD2 3.92Å; N270-Y273 HydrophobicContact CB-CE2 3.97Å; N270-Y273 WeakPolarHBondContact O-CD2 3.47Å; N270-Y273 PolarHBondContact O-N 3.33Å; N270-Y273 VanDerWaalsContact O-N 3.16Å; N271-Y273 PolarHBondContact O-N 3.49Å; Y273-R276 PolarHBondContact O-N 3.26Å; Y273-I277 PolarHBondContact O-N 2.81Å
274K98.5Very high97.5Very high72 Ų7262.9 Ų62.931%0.31332%0.317SS..Hα-helixtrans-62.6-44.3174.8-177.364.9178.5-170.10111.9A222 P224 N271 R276 I277 T278A222-K274 VanDerWaalsContact O-CD 3.31Å; A222-K274 WeakPolarHBondContact O-CD 3.34Å; A222-K274 WeakPolarHBondContact O-CE 3.32Å; A222-K274 PolarHBondContact O-NZ 2.78Å; P224-K274 HydrophobicContact CG-CB 3.95Å; P224-K274 HydrophobicContact CG-CD 4.18Å; N271-K274 PolarHBondContact O-N 3.02Å; K274-R276 PolarHBondContact O-N 2.74Å; K274-I277 HydrophobicContact CD-CG2 4.43Å; K274-I277 WeakPolarHBondContact O-CG2 3.17Å; K274-I277 PolarHBondContact O-N 2.99Å; K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.31Å; K274-T278 PolarHBondContact O-N 3.12Å; K274-T278 PolarHBondContact O-OG1 2.87Å
275Q98.6Very high97.2Very high119 Ų11965.8 Ų65.856%0.55634%0.338SS*.Hα-helixtrans-60.9-44176.2-71.9172.9-16.700111.8N271 K272 T278 K279N271-Q275 PolarHBondContact ND2-NE2 3.41Å; N271-Q275 WeakPolarHBondContact O-CB 3.28Å; N271-Q275 VanDerWaalsContact O-CG 3.3Å; N271-Q275 WeakPolarHBondContact O-CG 3.39Å; N271-Q275 PolarHBondContact O-N 2.87Å; K272-Q275 PolarHBondContact O-N 3.06Å; Q275-T278 PolarHBondContact O-N 3.02Å; Q275-K279 WeakPolarHBondContact O-CB 3.49Å; Q275-K279 PolarHBondContact O-N 3.49Å
276R98.7Very high97Very high131 Ų13171.5 Ų71.549%0.49437%0.367SS..Hα-helixtrans-64.3-46.2179.3-72.4-73.1177.4171.41.2111.9G245 F246 K272 Y273 K274 K279 F280G245-R276 WeakPolarHBondContact O-CB 3.4Å; G245-R276 WeakPolarHBondContact O-CG 2.9Å; F246-R276 HydrophobicContact CB-CB 4.21Å; K272-R276 HydrophobicContact CG-CG 4.36Å; K272-R276 WeakPolarHBondContact O-CB 3.46Å; K272-R276 WeakPolarHBondContact O-CG 3.44Å; K272-R276 PolarHBondContact O-N 2.91Å; Y273-R276 PolarHBondContact O-N 3.26Å; K274-R276 PolarHBondContact O-N 2.74Å; R276-K279 PolarHBondContact O-N 2.87Å; R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.27Å
277I98.6Very high96.7Very high0 Ų072.2 Ų72.20%037%0.372CS..Hα-helixtrans-71-34178.7-153.1170.8000112.5A218 A222 V223 P224 F246 Y273 K274 K279 F280 S281A218-I277 WeakPolarHBondContact O-CD1 3.48Å; A222-I277 HydrophobicContact CB-CG2 4.11Å; A222-I277 WeakPolarHBondContact O-CG2 3.26Å; V223-I277 VanDerWaalsContact C-CD1 3.5Å; V223-I277 WeakPolarHBondContact O-CD1 3.48Å; P224-I277 HydrophobicContact CG-CG2 4.13Å; F246-I277 HydrophobicContact CB-CB 3.54Å; F246-I277 HydrophobicContact CB-CD1 4.33Å; F246-I277 HydrophobicContact CB-CG1 4.02Å; F246-I277 HydrophobicContact CD1-CG1 4.33Å; F246-I277 HydrophobicContact CD2-CD1 3.84Å; F246-I277 HydrophobicContact CD2-CG1 4.09Å; F246-I277 HydrophobicContact CE2-CD1 4.32Å; F246-I277 HydrophobicContact CG-CB 4.03Å; F246-I277 HydrophobicContact CG-CD1 4.18Å; F246-I277 HydrophobicContact CG-CG1 3.94Å; Y273-I277 PolarHBondContact O-N 2.81Å; K274-I277 HydrophobicContact CD-CG2 4.43Å; K274-I277 WeakPolarHBondContact O-CG2 3.17Å; K274-I277 PolarHBondContact O-N 2.99Å; I277-K279 VanDerWaalsContact C-N 3.34Å; I277-F280 PolarHBondContact O-N 3.23Å; I277-S281 VanDerWaalsContact O-CB 3.24Å; I277-S281 WeakPolarHBondContact O-CB 3.45Å; I277-S281 PolarHBondContact O-N 3.23Å
278T98.6Very high96.4Very high65 Ų6580.4 Ų80.440%0.39941%0.413SS..Hα-helixtrans-63.3-44.6176.3-57.50000110.3K274 Q275 F280 S281 A282K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.31Å; K274-T278 PolarHBondContact O-N 3.12Å; K274-T278 PolarHBondContact O-OG1 2.87Å; Q275-T278 PolarHBondContact O-N 3.02Å; T278-F280 PolarHBondContact O-N 3.5Å; T278-S281 PolarHBondContact O-N 2.87Å; T278-A282 PolarHBondContact O-N 3.11Å
279K98.4Very high96.1Very high135 Ų13582.8 Ų82.859%0.58742%0.422SS*.Hα-helixtrans-61.9-43.7173.2-174.9176-179.6174.90111.7Q275 R276 I277 A282 M283Q275-K279 WeakPolarHBondContact O-CB 3.49Å; Q275-K279 PolarHBondContact O-N 3.49Å; R276-K279 PolarHBondContact O-N 2.87Å; I277-K279 VanDerWaalsContact C-N 3.34Å; K279-A282 PolarHBondContact O-N 3.11Å; K279-M283 HydrophobicContact CG-CE 4.34Å; K279-M283 WeakPolarHBondContact O-CG 3.43Å; K279-M283 PolarHBondContact O-N 2.82Å; K279-M283 VanDerWaalsContact O-N 3.12Å
280F97.8Very high95.9Very high37 Ų3780.9 Ų80.916%0.16242%0.415CS..Hα-helixtrans-65-43.7179.5-166.6-102.6000112.3V219 H244 F246 R276 I277 T278 A282 M283 V284V219-F280 HydrophobicContact CB-CD1 4.43Å; V219-F280 HydrophobicContact CG1-CD1 3.63Å; V219-F280 HydrophobicContact CG1-CE1 3.93Å; V219-F280 HydrophobicContact CG2-CD1 3.89Å; V219-F280 HydrophobicContact CG2-CE1 3.95Å; H244-F280 AromaticContact CD2-CE2 3.92Å; H244-F280 AromaticContact CE1-CE2 3.89Å; H244-F280 AromaticContact CG-CE2 3.96Å; H244-F280 AromaticContact ND1-CE2 3.94Å; H244-F280 AromaticContact NE2-CE2 3.88Å; F246-F280 HydrophobicContact CD1-CB 4.47Å; F246-F280 HydrophobicContact CD1-CG 4.48Å; F246-F280 HydrophobicContact CE1-CB 4.45Å; F246-F280 AromaticContact CE1-CD1 3.79Å; F246-F280 HydrophobicContact CE1-CD1 3.79Å; F246-F280 HydrophobicContact CE1-CE1 4.13Å; F246-F280 HydrophobicContact CE1-CG 4Å; F246-F280 HydrophobicContact CZ-CD1 4.32Å; F246-F280 HydrophobicContact CZ-CE1 4.41Å; R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.27Å; I277-F280 PolarHBondContact O-N 3.23Å; T278-F280 PolarHBondContact O-N 3.5Å; F280-A282 VanDerWaalsContact C-N 3.34Å; F280-A282 PolarHBondContact O-N 3.11Å; F280-M283 HydrophobicContact CB-CE 4.41Å; F280-M283 HydrophobicContact CD2-CE 3.88Å; F280-M283 PolarHBondContact O-N 3.37Å; F280-V284 HydrophobicContact CD1-CG2 4Å; F280-V284 HydrophobicContact CE1-CG2 3.69Å; F280-V284 HydrophobicContact CE2-CG2 4.44Å; F280-V284 HydrophobicContact CG-CG2 4.49Å; F280-V284 HydrophobicContact CZ-CG2 3.93Å; F280-V284 WeakPolarHBondContact O-CB 3.48Å; F280-V284 VanDerWaalsContact O-CG2 3.31Å; F280-V284 WeakPolarHBondContact O-CG2 3.42Å; F280-V284 PolarHBondContact O-N 3.44Å
281S97.3Very high95.6Very high13 Ų1378.2 Ų78.29%0.09140%0.401CS..Hα-helixtrans-55.5-47.9173.4-175.40000111.5V219 C220 I277 T278 V284 S285V219-S281 WeakPolarHBondContact O-CB 3.41Å; V219-S281 PolarHBondContact O-OG 3Å; C220-S281 PolarHBondContact O-OG 2.86Å; I277-S281 VanDerWaalsContact O-CB 3.24Å; I277-S281 WeakPolarHBondContact O-CB 3.45Å; I277-S281 PolarHBondContact O-N 3.23Å; T278-S281 PolarHBondContact O-N 2.87Å; S281-V284 PolarHBondContact O-N 2.77Å; S281-S285 VanDerWaalsContact O-CB 3.26Å; S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 2.84Å; S281-S285 PolarHBondContact O-OG 2.83Å
282A97.5Very high95.4Very high63 Ų6374.9 Ų74.952%0.52138%0.384SS..Hα-helixtrans-60.4-46.6178.900000111.3T278 K279 F280 V284 S285 D286T278-A282 PolarHBondContact O-N 3.11Å; K279-A282 PolarHBondContact O-N 3.11Å; F280-A282 VanDerWaalsContact C-N 3.34Å; F280-A282 PolarHBondContact O-N 3.11Å; A282-V284 PolarHBondContact O-N 2.9Å; A282-S285 PolarHBondContact O-N 3.37Å; A282-D286 WeakPolarHBondContact O-CB 3.31Å; A282-D286 PolarHBondContact O-N 3.35Å; A282-D286 VanDerWaalsContact O-N 3.07Å
283M95.8Very high95.2Very high111 Ų11172.2 Ų72.255%0.54737%0.374SS..Hα-helixtrans-63.1-39.7177.6-67.8-176.2-59.400112.8K279 F280K279-M283 HydrophobicContact CG-CE 4.34Å; K279-M283 WeakPolarHBondContact O-CG 3.43Å; K279-M283 PolarHBondContact O-N 2.82Å; K279-M283 VanDerWaalsContact O-N 3.12Å; F280-M283 HydrophobicContact CB-CE 4.41Å; F280-M283 HydrophobicContact CD2-CE 3.88Å; F280-M283 PolarHBondContact O-N 3.37Å
284V91.1Very high95Very high31 Ų3173.4 Ų73.419%0.18838%0.379CS..Hα-helixtrans-75.8-26.6-178.3169.50000112.3V219 F280 S281 A282 T287V219-V284 HydrophobicContact CG1-CB 4.24Å; V219-V284 HydrophobicContact CG1-CG1 4.25Å; V219-V284 HydrophobicContact CG1-CG2 4.32Å; F280-V284 HydrophobicContact CD1-CG2 4Å; F280-V284 HydrophobicContact CE1-CG2 3.69Å; F280-V284 HydrophobicContact CE2-CG2 4.44Å; F280-V284 HydrophobicContact CG-CG2 4.49Å; F280-V284 HydrophobicContact CZ-CG2 3.93Å; F280-V284 WeakPolarHBondContact O-CB 3.48Å; F280-V284 VanDerWaalsContact O-CG2 3.31Å; F280-V284 WeakPolarHBondContact O-CG2 3.42Å; F280-V284 PolarHBondContact O-N 3.44Å; S281-V284 PolarHBondContact O-N 2.77Å; A282-V284 PolarHBondContact O-N 2.9Å; V284-T287 WeakPolarHBondContact O-CG2 3.24Å
285S91.1Very high94.7Very high61 Ų6170 Ų7043%0.42737%0.366SS..Hα-helixtrans-88.9-13178.8-50.90000112.9S281 A282 T287S281-S285 VanDerWaalsContact O-CB 3.26Å; S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 2.84Å; S281-S285 PolarHBondContact O-OG 2.83Å; A282-S285 PolarHBondContact O-N 3.37Å; S285-T287 PolarHBondContact O-N 2.83Å
286D93.6Very high94.5Very high141 Ų14168.1 Ų68.175%0.75435%0.353SS*.  trans-78.872.2176.4-167.611.4000110.4A282A282-D286 WeakPolarHBondContact O-CB 3.31Å; A282-D286 PolarHBondContact O-N 3.35Å; A282-D286 VanDerWaalsContact O-N 3.07Å
287T90.8Very high94.2Very high77 Ų7766.2 Ų66.247%0.47235%0.349SS..  trans-120.5151.8179.968.80000111.1V284 S285 I289V284-T287 WeakPolarHBondContact O-CG2 3.24Å; S285-T287 PolarHBondContact O-N 2.83Å; T287-I289 VanDerWaalsContact C-N 3.32Å; T287-I289 PolarHBondContact O-N 3.1Å; T287-I289 PolarHBondContact OG1-O 3.43Å
288I92.2Very high93.8Very high174 Ų17469.4 Ų69.489%0.89236%0.361SS*.SBendtrans-62.9-40.2179.4-61174.2000111.4
289I92.1Very high93.4Very high74 Ų7468.7 Ų68.738%0.37935%0.354SS..SBendtrans-140.1149.5175.555.9179.3000108.1T287 E293 K294T287-I289 VanDerWaalsContact C-N 3.32Å; T287-I289 PolarHBondContact O-N 3.1Å; T287-I289 PolarHBondContact OG1-O 3.43Å; I289-E293 HydrophobicContact CB-CB 4.19Å; I289-K294 HydrophobicContact CD1-CB 3.86Å; I289-K294 HydrophobicContact CD1-CG 4.24Å; I289-K294 HydrophobicContact CG1-CB 4.1Å
290D91Very high93Very high74 Ų7463 Ų6340%0.39633%0.33SS..  trans-73.6162.817473.383.8000111.5T292 E293 K294D290-T292 VanDerWaalsContact C-N 3.27Å; D290-T292 PolarHBondContact O-N 2.72Å; D290-T292 WeakPolarHBondContact OD1-CA 3.41Å; D290-T292 WeakPolarHBondContact OD1-CB 3.23Å; D290-T292 PolarHBondContact OD1-N 3.38Å; D290-T292 PolarHBondContact OD1-OG1 3.22Å; D290-E293 CarbonylContact O-C 3.56Å; D290-E293 WeakPolarHBondContact O-CB 3.34Å; D290-E293 PolarHBondContact O-N 3.49Å; D290-E293 VanDerWaalsContact O-N 3.14Å; D290-E293 PolarHBondContact OD1-N 3.15Å; D290-E293 WeakPolarHBondContact OD2-CG 3.19Å; D290-K294 WeakPolarHBondContact O-CB 3.42Å; D290-K294 PolarHBondContact O-N 3.06Å
291D91.8Very high92.6Very high20 Ų2063.7 Ų63.711%0.10733%0.333CS..Hα-helixtrans-63.8-29.2-174.6-72.9-66.6000113.8V117 D118 A120 R216 K294 G295V117-D291 HydrophobicContact CG1-CB 4.17Å; V117-D291 WeakPolarHBondContact CG1-O 3.03Å; D118-D291 PolarHBondContact N-OD1 3.29Å; D118-D291 WeakPolarHBondContact O-CB 3.37Å; A120-D291 HydrophobicContact CB-CB 4.11Å; R216-D291 IonicContact NH2-OD2 3.94Å; D291-K294 PolarHBondContact O-N 2.81Å; D291-G295 PolarHBondContact O-N 3.33Å
292T93.5Very high92Very high25 Ų2567.2 Ų67.215%0.15335%0.348CS..Hα-helixtrans-65.8-46.8175-52.80000109.7P39 L40 A43 A120 D290 G295 R296P39-T292 HydrophobicContact CB-CG2 4.07Å; L40-T292 HydrophobicContact CB-CG2 4.45Å; A43-T292 HydrophobicContact CB-CG2 3.97Å; A120-T292 WeakPolarHBondContact CB-OG1 3.14Å; D290-T292 VanDerWaalsContact C-N 3.27Å; D290-T292 PolarHBondContact O-N 2.72Å; D290-T292 WeakPolarHBondContact OD1-CA 3.41Å; D290-T292 WeakPolarHBondContact OD1-CB 3.23Å; D290-T292 PolarHBondContact OD1-N 3.38Å; D290-T292 PolarHBondContact OD1-OG1 3.22Å; T292-G295 PolarHBondContact O-N 2.9Å; T292-R296 WeakPolarHBondContact O-CB 3.37Å; T292-R296 PolarHBondContact O-N 3.45Å
293E93.8Very high91.4Very high55 Ų5567.6 Ų67.626%0.25734%0.336SS..Hα-helixtrans-65.3-38.2177-73-61.5146.600112.7I289 D290 R296 F297I289-E293 HydrophobicContact CB-CB 4.19Å; D290-E293 CarbonylContact O-C 3.56Å; D290-E293 WeakPolarHBondContact O-CB 3.34Å; D290-E293 PolarHBondContact O-N 3.49Å; D290-E293 VanDerWaalsContact O-N 3.14Å; D290-E293 PolarHBondContact OD1-N 3.15Å; D290-E293 WeakPolarHBondContact OD2-CG 3.19Å; E293-R296 VanDerWaalsContact CD-NH1 3.35Å; E293-R296 PolarHBondContact O-N 3.42Å; E293-R296 IonicContact OE1-CZ 3.07Å; E293-R296 VanDerWaalsContact OE1-CZ 3.24Å; E293-R296 IonicContact OE1-NE 2.91Å; E293-R296 IonicContact OE1-NH1 2.75Å; E293-R296 PolarHBondContact OE1-NH1 3.21Å; E293-R296 IonicContact OE1-NH2 2.71Å; E293-R296 IonicContact OE2-CZ 2.7Å; E293-R296 IonicContact OE2-NE 2.72Å; E293-R296 PolarHBondContact OE2-NE 2.97Å; E293-R296 IonicContact OE2-NH1 3.99Å; E293-R296 PolarHBondContact OE2-NH1 2.9Å; E293-R296 IonicContact OE2-NH2 2.64Å; E293-R296 PolarHBondContact OE2-NH2 3.37Å; E293-F297 VanDerWaalsContact O-CB 3.27Å; E293-F297 WeakPolarHBondContact O-CB 3.42Å; E293-F297 PolarHBondContact O-N 3.16Å
294K93.6Very high91.1Very high63 Ų6367.4 Ų67.427%0.27433%0.329SS..Hα-helixtrans-61.9-46.5173.4-172.2-177.6-178.1-169.20111.8M116 I289 D290 D291 F297 W298M116-K294 WeakPolarHBondContact O-CE 3.34Å; M116-K294 PolarHBondContact O-NZ 3.41Å; I289-K294 HydrophobicContact CD1-CB 3.86Å; I289-K294 HydrophobicContact CD1-CG 4.24Å; I289-K294 HydrophobicContact CG1-CB 4.1Å; D290-K294 WeakPolarHBondContact O-CB 3.42Å; D290-K294 PolarHBondContact O-N 3.06Å; D291-K294 PolarHBondContact O-N 2.81Å; K294-F297 PolarHBondContact O-N 3.4Å; K294-W298 PolarHBondContact O-N 3.34Å
295G92.9Very high90.9Very high2 Ų269.8 Ų69.82%0.02134%0.338CS..Hα-helixtrans-61.3-46.1175.400000111.8D291 T292 F297 W298 I299D291-G295 PolarHBondContact O-N 3.33Å; T292-G295 PolarHBondContact O-N 2.9Å; G295-F297 VanDerWaalsContact C-N 3.32Å; G295-F297 PolarHBondContact O-N 2.96Å; G295-W298 PolarHBondContact O-N 3.49Å; G295-I299 WeakPolarHBondContact O-CB 3.49Å; G295-I299 VanDerWaalsContact O-CG1 3.31Å; G295-I299 WeakPolarHBondContact O-CG1 3.36Å; G295-I299 PolarHBondContact O-N 3.2Å
296R93.4Very high90.5Very high78 Ų7870.5 Ų70.529%0.29434%0.341SS..Hα-helixtrans-58.1-45.2174.9-170.9-174.978.1-167.45.4111.5L40 L44 D47 T292 E293 N300L40-R296 HydrophobicContact CD1-CB 4.34Å; L40-R296 VanDerWaalsContact CD1-N 3.34Å; L44-R296 HydrophobicContact CD2-CG 4.16Å; D47-R296 VanDerWaalsContact OD2-CD 3.22Å; D47-R296 WeakPolarHBondContact OD2-CD 3.19Å; D47-R296 WeakPolarHBondContact OD2-CG 3.35Å; T292-R296 WeakPolarHBondContact O-CB 3.37Å; T292-R296 PolarHBondContact O-N 3.45Å; E293-R296 VanDerWaalsContact CD-NH1 3.35Å; E293-R296 PolarHBondContact O-N 3.42Å; E293-R296 IonicContact OE1-CZ 3.07Å; E293-R296 VanDerWaalsContact OE1-CZ 3.24Å; E293-R296 IonicContact OE1-NE 2.91Å; E293-R296 IonicContact OE1-NH1 2.75Å; E293-R296 PolarHBondContact OE1-NH1 3.21Å; E293-R296 IonicContact OE1-NH2 2.71Å; E293-R296 IonicContact OE2-CZ 2.7Å; E293-R296 IonicContact OE2-NE 2.72Å; E293-R296 PolarHBondContact OE2-NE 2.97Å; E293-R296 IonicContact OE2-NH1 3.99Å; E293-R296 PolarHBondContact OE2-NH1 2.9Å; E293-R296 IonicContact OE2-NH2 2.64Å; E293-R296 PolarHBondContact OE2-NH2 3.37Å; R296-N300 WeakPolarHBondContact O-CB 3.42Å; R296-N300 PolarHBondContact O-N 3.24Å; R296-N300 PolarHBondContact O-ND2 3.06Å
297F92.8Very high90Very high92 Ų9271.1 Ų71.140%0.40434%0.344SS..Hα-helixtrans-60.9-50.3179.6175.9-91000111.9E293 K294 G295 N300 F301E293-F297 VanDerWaalsContact O-CB 3.27Å; E293-F297 WeakPolarHBondContact O-CB 3.42Å; E293-F297 PolarHBondContact O-N 3.16Å; K294-F297 PolarHBondContact O-N 3.4Å; G295-F297 VanDerWaalsContact C-N 3.32Å; G295-F297 PolarHBondContact O-N 2.96Å; F297-N300 CarbonylContact O-C 3.6Å; F297-N300 PolarHBondContact O-N 3.46Å; F297-F301 HydrophobicContact CE1-CD2 4.49Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 2.84Å
298W90Very high89.3Confident66 Ų6669.2 Ų69.225%0.2533%0.334CS..Hα-helixtrans-70.9-34.8-176.7-76.3113.8000113.2F115 K294 G295 F301 H302F115-W298 HydrophobicContact CB-CD2 4.15Å; F115-W298 HydrophobicContact CB-CG 3.98Å; F115-W298 AromaticContact CD1-CD2 3.87Å; F115-W298 HydrophobicContact CD1-CD2 3.87Å; F115-W298 AromaticContact CD1-CE2 3.31Å; F115-W298 HydrophobicContact CD1-CE3 4.32Å; F115-W298 AromaticContact CD1-CH2 3.87Å; F115-W298 HydrophobicContact CD1-CH2 3.87Å; F115-W298 AromaticContact CD1-CZ2 3.33Å; F115-W298 HydrophobicContact CD1-CZ2 3.33Å; F115-W298 HydrophobicContact CD1-CZ3 4.33Å; F115-W298 AromaticContact CD1-NE1 3.66Å; F115-W298 AromaticContact CD2-CD2 3.52Å; F115-W298 HydrophobicContact CD2-CD2 3.52Å; F115-W298 AromaticContact CD2-CE2 3.91Å; F115-W298 AromaticContact CD2-CE3 3.52Å; F115-W298 HydrophobicContact CD2-CE3 3.52Å; F115-W298 HydrophobicContact CD2-CG 4.04Å; F115-W298 HydrophobicContact CD2-CH2 4.31Å; F115-W298 HydrophobicContact CD2-CZ2 4.3Å; F115-W298 AromaticContact CD2-CZ3 3.93Å; F115-W298 HydrophobicContact CD2-CZ3 3.93Å; F115-W298 HydrophobicContact CE1-CD2 4.17Å; F115-W298 AromaticContact CE1-CE2 3.61Å; F115-W298 HydrophobicContact CE1-CE3 4.22Å; F115-W298 AromaticContact CE1-CH2 3.21Å; F115-W298 HydrophobicContact CE1-CH2 3.21Å; F115-W298 AromaticContact CE1-CZ2 3.12Å; F115-W298 HydrophobicContact CE1-CZ2 3.12Å; F115-W298 AromaticContact CE1-CZ3 3.79Å; F115-W298 HydrophobicContact CE1-CZ3 3.79Å; F115-W298 AromaticContact CE2-CD2 3.85Å; F115-W298 HydrophobicContact CE2-CD2 3.85Å; F115-W298 AromaticContact CE2-CE3 3.39Å; F115-W298 HydrophobicContact CE2-CE3 3.39Å; F115-W298 AromaticContact CE2-CH2 3.72Å; F115-W298 HydrophobicContact CE2-CH2 3.72Å; F115-W298 HydrophobicContact CE2-CZ2 4.13Å; F115-W298 AromaticContact CE2-CZ3 3.32Å; F115-W298 HydrophobicContact CE2-CZ3 3.32Å; F115-W298 AromaticContact CG-CD1 3.98Å; F115-W298 AromaticContact CG-CD2 3.54Å; F115-W298 HydrophobicContact CG-CD2 3.54Å; F115-W298 AromaticContact CG-CE2 3.48Å; F115-W298 VanDerWaalsContact CG-CE2 3.48Å; F115-W298 HydrophobicContact CG-CE3 4Å; F115-W298 AromaticContact CG-CG 3.9Å; F115-W298 HydrophobicContact CG-CG 3.9Å; F115-W298 HydrophobicContact CG-CH2 4.37Å; F115-W298 AromaticContact CG-CZ2 3.94Å; F115-W298 HydrophobicContact CG-CZ2 3.94Å; F115-W298 HydrophobicContact CG-CZ3 4.4Å; F115-W298 AromaticContact CG-NE1 3.73Å; F115-W298 HydrophobicContact CZ-CD2 4.16Å; F115-W298 AromaticContact CZ-CE3 3.77Å; F115-W298 HydrophobicContact CZ-CE3 3.77Å; F115-W298 AromaticContact CZ-CH2 3.13Å; F115-W298 HydrophobicContact CZ-CH2 3.13Å; F115-W298 AromaticContact CZ-CZ2 3.57Å; F115-W298 HydrophobicContact CZ-CZ2 3.57Å; F115-W298 AromaticContact CZ-CZ3 3.24Å; F115-W298 HydrophobicContact CZ-CZ3 3.24Å; K294-W298 PolarHBondContact O-N 3.34Å; G295-W298 PolarHBondContact O-N 3.49Å; W298-F301 HydrophobicContact CE3-CB 3.98Å; W298-F301 HydrophobicContact CE3-CD1 4.02Å; W298-F301 AromaticContact CE3-CG 3.92Å; W298-F301 HydrophobicContact CE3-CG 3.92Å; W298-F301 HydrophobicContact CZ3-CB 4.43Å; W298-F301 AromaticContact CZ3-CD1 3.95Å; W298-F301 HydrophobicContact CZ3-CD1 3.95Å; W298-F301 HydrophobicContact CZ3-CD2 4.16Å; W298-F301 HydrophobicContact CZ3-CE1 4.26Å; W298-F301 HydrophobicContact CZ3-CE2 4.46Å; W298-F301 AromaticContact CZ3-CG 3.92Å; W298-F301 HydrophobicContact CZ3-CG 3.92Å; W298-F301 WeakPolarHBondContact O-CB 3.49Å; W298-F301 PolarHBondContact O-N 2.71Å; W298-H302 PolarHBondContact O-N 2.75Å
299I90.4Very high88.3Confident51 Ų5162.3 Ų62.326%0.26230%0.3SS..Hα-helixtrans-65.7-43.4173.3-70.1169000110.3I22 L40 L44 G295 F301 H302 R303I22-I299 HydrophobicContact CD1-CG2 3.75Å; L40-I299 HydrophobicContact CD1-CD1 4.44Å; L40-I299 HydrophobicContact CD2-CD1 4.2Å; L44-I299 HydrophobicContact CD1-CD1 3.61Å; L44-I299 HydrophobicContact CD1-CG2 4.34Å; L44-I299 HydrophobicContact CD2-CB 3.94Å; L44-I299 HydrophobicContact CD2-CD1 4.23Å; L44-I299 HydrophobicContact CD2-CG2 3.62Å; L44-I299 HydrophobicContact CG-CD1 4.48Å; G295-I299 WeakPolarHBondContact O-CB 3.49Å; G295-I299 VanDerWaalsContact O-CG1 3.31Å; G295-I299 WeakPolarHBondContact O-CG1 3.36Å; G295-I299 PolarHBondContact O-N 3.2Å; I299-F301 VanDerWaalsContact C-N 3.32Å; I299-F301 PolarHBondContact O-N 2.91Å; I299-H302 WeakPolarHBondContact O-CB 3.48Å; I299-H302 PolarHBondContact O-N 2.87Å; I299-R303 PolarHBondContact O-N 2.71Å; I299-R303 VanDerWaalsContact O-N 3.07Å
300N90.8Very high87.5Confident15 Ų1565 Ų658%0.0831%0.311CS..Hα-helixtrans-69.9-28.3173.1-81.1-61.3000113.3D47 H49 R296 F297 H302 R303 R304D47-N300 PolarHBondContact OD2-ND2 3.16Å; H49-N300 PolarHBondContact NE2-OD1 2.83Å; R296-N300 WeakPolarHBondContact O-CB 3.42Å; R296-N300 PolarHBondContact O-N 3.24Å; R296-N300 PolarHBondContact O-ND2 3.06Å; F297-N300 CarbonylContact O-C 3.6Å; F297-N300 PolarHBondContact O-N 3.46Å; N300-H302 VanDerWaalsContact C-N 3.34Å; N300-R303 WeakPolarHBondContact O-CB 2.95Å; N300-R303 PolarHBondContact O-N 3.12Å; N300-R303 PolarHBondContact OD1-NE 2.91Å; N300-R304 WeakPolarHBondContact O-CG 3.32Å; N300-R304 PolarHBondContact O-N 2.77Å; N300-R304 PolarHBondContact O-NH1 3.03Å
301F88.9Confident86.8Confident51 Ų5166.5 Ų66.522%0.22432%0.316CS..Hα-helixtrans-61.6-46.5172-179.3-84.5000110.1F297 W298 I299 R303 R304 H305 M312F297-F301 HydrophobicContact CE1-CD2 4.49Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 2.84Å; W298-F301 HydrophobicContact CE3-CB 3.98Å; W298-F301 HydrophobicContact CE3-CD1 4.02Å; W298-F301 AromaticContact CE3-CG 3.92Å; W298-F301 HydrophobicContact CE3-CG 3.92Å; W298-F301 HydrophobicContact CZ3-CB 4.43Å; W298-F301 AromaticContact CZ3-CD1 3.95Å; W298-F301 HydrophobicContact CZ3-CD1 3.95Å; W298-F301 HydrophobicContact CZ3-CD2 4.16Å; W298-F301 HydrophobicContact CZ3-CE1 4.26Å; W298-F301 HydrophobicContact CZ3-CE2 4.46Å; W298-F301 AromaticContact CZ3-CG 3.92Å; W298-F301 HydrophobicContact CZ3-CG 3.92Å; W298-F301 WeakPolarHBondContact O-CB 3.49Å; W298-F301 PolarHBondContact O-N 2.71Å; I299-F301 VanDerWaalsContact C-N 3.32Å; I299-F301 PolarHBondContact O-N 2.91Å; F301-R303 VanDerWaalsContact C-N 3.28Å; F301-R303 PolarHBondContact O-N 3.41Å; F301-R304 PolarHBondContact O-N 2.93Å; F301-R304 VanDerWaalsContact O-N 3.16Å; F301-H305 AromaticContact CD2-CD2 3.72Å; F301-H305 HydrophobicContact CE1-CB 4.27Å; F301-H305 AromaticContact CE1-CD2 3.92Å; F301-H305 AromaticContact CE2-CD2 3.47Å; F301-H305 VanDerWaalsContact CE2-CD2 3.47Å; F301-H305 WeakPolarHBondContact CE2-CD2 3.49Å; F301-H305 AromaticContact CE2-NE2 3.9Å; F301-H305 AromaticContact CZ-CD2 3.58Å; F301-H305 PolarHBondContact O-CD2 3.44Å; F301-H305 PolarHBondContact O-N 3.19Å; F301-M312 HydrophobicContact CD1-CE 3.97Å; F301-M312 HydrophobicContact CE1-CE 3.6Å
302H85.4Confident86.1Confident87 Ų8767 Ų6740%0.40332%0.318SS..Hα-helixtrans-57.5-43.8172.5175.826.2000111.5W298 I299 N300 R304 H305 P306 V309W298-H302 PolarHBondContact O-N 2.75Å; I299-H302 WeakPolarHBondContact O-CB 3.48Å; I299-H302 PolarHBondContact O-N 2.87Å; N300-H302 VanDerWaalsContact C-N 3.34Å; H302-R304 VanDerWaalsContact C-N 3.3Å; H302-R304 PolarHBondContact O-N 3.25Å; H302-H305 CarbonylContact O-C 3.2Å; H302-H305 PolarHBondContact O-N 3.47Å; H302-P306 WeakPolarHBondContact O-CA 3.44Å; H302-V309 HydrophobicContact CB-CG1 4.02Å; H302-V309 WeakPolarHBondContact CE1-CG1 3.4Å; H302-V309 WeakPolarHBondContact CE1-CG2 3.3Å; H302-V309 VanDerWaalsContact CG-CG1 3.43Å; H302-V309 WeakPolarHBondContact ND1-CG1 3.18Å
303R84.6Confident85.3Confident71 Ų7173.7 Ų73.727%0.26834%0.34SS..Hα-helixtrans-57.5-41.3176.4-169.6-171.472.374.8-5.5112.6E18 K20 I299 N300 F301E18-R303 WeakPolarHBondContact O-CD 3.19Å; K20-R303 HydrophobicContact CG-CG 4.16Å; I299-R303 PolarHBondContact O-N 2.71Å; I299-R303 VanDerWaalsContact O-N 3.07Å; N300-R303 WeakPolarHBondContact O-CB 2.95Å; N300-R303 PolarHBondContact O-N 3.12Å; N300-R303 PolarHBondContact OD1-NE 2.91Å; F301-R303 VanDerWaalsContact C-N 3.28Å; F301-R303 PolarHBondContact O-N 3.41Å
304R88.5Confident84.6Confident108 Ų10875.1 Ų75.141%0.40835%0.349SS..Hα-helixtrans-75.8-27.6178.5-68.1-175.3-56.1-89.92.5113.3N300 F301 H302N300-R304 WeakPolarHBondContact O-CG 3.32Å; N300-R304 PolarHBondContact O-N 2.77Å; N300-R304 PolarHBondContact O-NH1 3.03Å; F301-R304 PolarHBondContact O-N 2.93Å; F301-R304 VanDerWaalsContact O-N 3.16Å; H302-R304 VanDerWaalsContact C-N 3.3Å; H302-R304 PolarHBondContact O-N 3.25Å
305H88.5Confident83.8Confident80 Ų8080.4 Ų80.437%0.3737%0.372SS..  trans-129.667.6-175.3-53.5-67.9000111.3F301 H302 N307 S308F301-H305 AromaticContact CD2-CD2 3.72Å; F301-H305 HydrophobicContact CE1-CB 4.27Å; F301-H305 AromaticContact CE1-CD2 3.92Å; F301-H305 AromaticContact CE2-CD2 3.47Å; F301-H305 VanDerWaalsContact CE2-CD2 3.47Å; F301-H305 WeakPolarHBondContact CE2-CD2 3.49Å; F301-H305 AromaticContact CE2-NE2 3.9Å; F301-H305 AromaticContact CZ-CD2 3.58Å; F301-H305 PolarHBondContact O-CD2 3.44Å; F301-H305 PolarHBondContact O-N 3.19Å; H302-H305 CarbonylContact O-C 3.2Å; H302-H305 PolarHBondContact O-N 3.47Å; H305-N307 PolarHBondContact O-N 2.94Å; H305-S308 WeakPolarHBondContact O-CB 3.43Å; H305-S308 PolarHBondContact O-N 3.08Å; H305-S308 VanDerWaalsContact O-N 3.08Å
306P81.9Confident83Confident76 Ų7681.5 Ų81.549%0.49438%0.384SS..G310 helixtrans-62.8-27.7-17223.9-34.5000113.7H302 V309H302-P306 WeakPolarHBondContact O-CA 3.44Å; P306-V309 WeakPolarHBondContact O-CG2 3.38Å
307N82.6Confident82.3Confident154 Ų15484.3 Ų84.382%0.82440%0.404SS*.G310 helixtrans-84.6-12179.7-62.1-25.1000113.3H305 V309H305-N307 PolarHBondContact O-N 2.94Å; N307-V309 VanDerWaalsContact C-N 3.31Å; N307-V309 PolarHBondContact O-N 3.5Å
308S76.9Confident81.8Confident38 Ų3887 Ų8727%0.26642%0.415SS..G310 helixtrans-78.5-13.1-179.4-60.10000112.7H305 E310 H311 M312H305-S308 WeakPolarHBondContact O-CB 3.43Å; H305-S308 PolarHBondContact O-N 3.08Å; H305-S308 VanDerWaalsContact O-N 3.08Å; S308-E310 VanDerWaalsContact C-N 3.35Å; S308-E310 PolarHBondContact O-N 3.26Å; S308-H311 PolarHBondContact O-CE1 2.89Å; S308-H311 PolarHBondContact O-ND1 2.81Å; S308-H311 PolarHBondContact O-NE2 3.39Å; S308-M312 WeakPolarHBondContact O-CE 3.19Å
309V72Confident81.5Confident28 Ų2888.1 Ų88.117%0.1743%0.426CS..G310 helixtrans-77.3-16.1-172.3-71.90000115.7H302 P306 N307 H311 M312 R313H302-V309 HydrophobicContact CB-CG1 4.02Å; H302-V309 WeakPolarHBondContact CE1-CG1 3.4Å; H302-V309 WeakPolarHBondContact CE1-CG2 3.3Å; H302-V309 VanDerWaalsContact CG-CG1 3.43Å; H302-V309 WeakPolarHBondContact ND1-CG1 3.18Å; P306-V309 WeakPolarHBondContact O-CG2 3.38Å; N307-V309 VanDerWaalsContact C-N 3.31Å; N307-V309 PolarHBondContact O-N 3.5Å; V309-H311 PolarHBondContact O-N 3.22Å; V309-M312 HydrophobicContact CG1-CE 3.84Å; V309-M312 HydrophobicContact CG1-SD 4.13Å; V309-M312 PolarHBondContact O-N 2.87Å; V309-R313 PolarHBondContact O-N 3.23Å
310E74.5Confident81.5Confident130 Ų13090.5 Ų90.561%0.60744%0.439SS*.G310 helixtrans-58.9-38.3-179.6-173.1171.4-173.500111.1S308 M312 K318S308-E310 VanDerWaalsContact C-N 3.35Å; S308-E310 PolarHBondContact O-N 3.26Å; E310-M312 VanDerWaalsContact C-N 3.32Å; E310-M312 PolarHBondContact O-N 3.14Å; E310-K318 IonicContact OE1-NZ 3.63Å; E310-K318 PolarHBondContact OE1-NZ 2.8Å
311H75.9Confident81.2Confident107 Ų10794.2 Ų94.250%0.49547%0.465SS..G310 helixtrans-79.1-12.3176.665.7-105.9000114N113 S308 V309N113-H311 WeakPolarHBondContact CB-O 3.49Å; N113-H311 PolarHBondContact ND2-CD2 3.22Å; N113-H311 PolarHBondContact ND2-O 2.98Å; S308-H311 PolarHBondContact O-CE1 2.89Å; S308-H311 PolarHBondContact O-ND1 2.81Å; S308-H311 PolarHBondContact O-NE2 3.39Å; V309-H311 PolarHBondContact O-N 3.22Å
312M77.7Confident81.1Confident30 Ų3096.7 Ų96.715%0.14848%0.476CS..G310 helixtrans-88.1-16.4177.5-61.1-174.7-131.200113.3N113 T114 F115 F301 S308 V309 E310N113-M312 HydrophobicContact CB-CB 4.46Å; N113-M312 HydrophobicContact CB-CG 4.27Å; N113-M312 WeakPolarHBondContact O-CA 3.3Å; N113-M312 WeakPolarHBondContact O-CB 3.19Å; T114-M312 WeakPolarHBondContact CG2-O 3.41Å; F115-M312 HydrophobicContact CE2-SD 4.03Å; F301-M312 HydrophobicContact CD1-CE 3.97Å; F301-M312 HydrophobicContact CE1-CE 3.6Å; S308-M312 WeakPolarHBondContact O-CE 3.19Å; V309-M312 HydrophobicContact CG1-CE 3.84Å; V309-M312 HydrophobicContact CG1-SD 4.13Å; V309-M312 PolarHBondContact O-N 2.87Å; E310-M312 VanDerWaalsContact C-N 3.32Å; E310-M312 PolarHBondContact O-N 3.14Å
313R76.7Confident81.1Confident165 Ų16593.9 Ų93.962%0.62347%0.466SS*.SBendtrans-66.3141176-70.1-177.3174.5-172.9-0.9110.5V309 K315V309-R313 PolarHBondContact O-N 3.23Å; R313-K315 PolarHBondContact O-N 3.02Å; R313-K315 VanDerWaalsContact O-N 3.14Å
314L78Confident80.9Confident85 Ų8596.4 Ų96.445%0.44548%0.479SS..  trans-56.7119.7170.2-73.1169.2000109.3A111 T114 G316 L317A111-L314 HydrophobicContact CB-CD2 3.96Å; T114-L314 HydrophobicContact CG2-CD2 3.74Å; T114-L314 HydrophobicContact CG2-CG 4.05Å; L314-G316 PolarHBondContact O-N 3.37Å; L314-G316 VanDerWaalsContact O-N 3.16Å; L314-L317 HydrophobicContact CB-CD1 4.17Å; L314-L317 HydrophobicContact CB-CG 4.09Å; L314-L317 WeakPolarHBondContact O-CB 3.36Å; L314-L317 PolarHBondContact O-N 3.14Å
315K77.1Confident80.6Confident174 Ų17495 Ų9576%0.75748%0.48SS*.G310 helixtrans-58.2-29.8178.9-71.3-171.9178.9-177.90112.5R313 L317 K318R313-K315 PolarHBondContact O-N 3.02Å; R313-K315 VanDerWaalsContact O-N 3.14Å; K315-L317 PolarHBondContact O-N 3.31Å; K315-L317 VanDerWaalsContact O-N 3.14Å; K315-K318 PolarHBondContact O-N 2.98Å
316G76.9Confident80.5Confident26 Ų2694.8 Ų94.827%0.26849%0.487SS..G310 helixtrans-56-26174.900000114.1L314 K318 L319L314-G316 PolarHBondContact O-N 3.37Å; L314-G316 VanDerWaalsContact O-N 3.16Å; G316-K318 PolarHBondContact O-N 3.17Å; G316-L319 PolarHBondContact O-N 3.16Å
317L78.7Confident80.8Confident137 Ų13797 Ų9772%0.71749%0.486SS*.G310 helixtrans-69.7-17.7176.4-63173.1000113.5L314 K315L314-L317 HydrophobicContact CB-CD1 4.17Å; L314-L317 HydrophobicContact CB-CG 4.09Å; L314-L317 WeakPolarHBondContact O-CB 3.36Å; L314-L317 PolarHBondContact O-N 3.14Å; K315-L317 PolarHBondContact O-N 3.31Å; K315-L317 VanDerWaalsContact O-N 3.14Å
318K81.8Confident81.2Confident148 Ų14892.5 Ų92.564%0.64346%0.462SS*.G310 helixtrans-91.9-8.5175.2-64.1-171.9176.5-172.80112.3E310 K315 G316E310-K318 IonicContact OE1-NZ 3.63Å; E310-K318 PolarHBondContact OE1-NZ 2.8Å; K315-K318 PolarHBondContact O-N 2.98Å; G316-K318 PolarHBondContact O-N 3.17Å
319L84.2Confident81.8Confident90 Ų9092.9 Ų92.947%0.47147%0.467SS..SBendtrans-83.7144.5-178.5-60.5-179.9000110.7G316 F324G316-L319 PolarHBondContact O-N 3.16Å; L319-F324 HydrophobicContact CB-CB 4.22Å
320N89.1Confident82.8Confident100 Ų10096.2 Ų96.254%0.53548%0.484SS..  trans-72.6165.7165.766.142.1000110.1F322 S323 F324N320-F322 PolarHBondContact O-N 3.41Å; N320-F322 WeakPolarHBondContact OD1-CA 3.28Å; N320-F322 WeakPolarHBondContact OD1-CB 3.46Å; N320-F322 PolarHBondContact OD1-N 3.28Å; N320-F322 VanDerWaalsContact OD1-N 3.07Å; N320-S323 PolarHBondContact O-N 3.17Å; N320-S323 PolarHBondContact OD1-N 2.91Å; N320-F324 VanDerWaalsContact O-CB 3.28Å; N320-F324 WeakPolarHBondContact O-CB 3.33Å; N320-F324 PolarHBondContact O-N 3.36Å
321C86.2Confident83.7Confident94 Ų9493.9 Ų93.964%0.63548%0.478SS*.Hα-helixtrans-57.5-32.7-178.5-172.80000112.9N325C321-N325 PolarHBondContact O-N 3.43Å; C321-N325 VanDerWaalsContact O-N 3.17Å; C321-N325 PolarHBondContact O-ND2 3.07Å; C321-N325 PolarHBondContact SG-ND2 3.07Å
322F85.4Confident84.6Confident102 Ų10294 Ų9445%0.44748%0.482SS..Hα-helixtrans-66.3-50.6-179-171.3-99.8000111.9N320 C326 Y327 D328 T331N320-F322 PolarHBondContact O-N 3.41Å; N320-F322 WeakPolarHBondContact OD1-CA 3.28Å; N320-F322 WeakPolarHBondContact OD1-CB 3.46Å; N320-F322 PolarHBondContact OD1-N 3.28Å; N320-F322 VanDerWaalsContact OD1-N 3.07Å; F322-C326 PolarHBondContact O-N 3.17Å; F322-Y327 HydrophobicContact CD2-CD2 4.18Å; F322-Y327 HydrophobicContact CD2-CG 4.19Å; F322-Y327 HydrophobicContact CE2-CG 4.22Å; F322-Y327 PolarHBondContact O-N 2.65Å; F322-D328 HydrophobicContact CD1-CB 3.97Å; F322-D328 VanDerWaalsContact CE1-CA 3.46Å; F322-D328 HydrophobicContact CE1-CB 3.71Å; F322-D328 VanDerWaalsContact CE1-N 3.28Å; F322-T331 HydrophobicContact CZ-CG2 4.09Å
323S85.6Confident85.4Confident28 Ų2897.9 Ų97.920%0.19650%0.503CS..Hα-helixtrans-71.9-35.3176-65.60000113.1N320 N325 C326 D328N320-S323 PolarHBondContact O-N 3.17Å; N320-S323 PolarHBondContact OD1-N 2.91Å; S323-N325 VanDerWaalsContact C-N 3.27Å; S323-N325 PolarHBondContact O-N 3.2Å; S323-C326 PolarHBondContact O-N 2.99Å; S323-C326 VanDerWaalsContact O-N 3.07Å; S323-D328 VanDerWaalsContact CA-OD2 3.31Å; S323-D328 WeakPolarHBondContact CA-OD2 3.43Å; S323-D328 WeakPolarHBondContact CB-OD2 3.29Å; S323-D328 PolarHBondContact OG-OD2 3.46Å
324F80.6Confident86.3Confident124 Ų12492.9 Ų92.954%0.54449%0.492SS..Hα-helixtrans-61-37.5177.6-177.7-92.4000112.2L319 N320 C326L319-F324 HydrophobicContact CB-CB 4.22Å; N320-F324 VanDerWaalsContact O-CB 3.28Å; N320-F324 WeakPolarHBondContact O-CB 3.33Å; N320-F324 PolarHBondContact O-N 3.36Å; F324-C326 VanDerWaalsContact C-N 3.31Å
325N81.4Confident87.1Confident79 Ų7991.2 Ų91.242%0.42249%0.491SS..THydrogen-bonded Turntrans-89.710.1176.6-68.3-76.4000113.5C321 S323 Y327C321-N325 PolarHBondContact O-N 3.43Å; C321-N325 VanDerWaalsContact O-N 3.17Å; C321-N325 PolarHBondContact O-ND2 3.07Å; C321-N325 PolarHBondContact SG-ND2 3.07Å; S323-N325 VanDerWaalsContact C-N 3.27Å; S323-N325 PolarHBondContact O-N 3.2Å; N325-Y327 HydrophobicContact CB-CD2 3.63Å; N325-Y327 HydrophobicContact CB-CE2 3.45Å; N325-Y327 VanDerWaalsContact CB-CE2 3.45Å; N325-Y327 PolarHBondContact O-N 3.3Å
326C86.8Confident88Confident76 Ų7687.8 Ų87.851%0.51448%0.48SS..THydrogen-bonded Turntrans59.124.3179.8-56.30000115F322 S323 F324 D328 A329 L330F322-C326 PolarHBondContact O-N 3.17Å; S323-C326 PolarHBondContact O-N 2.99Å; S323-C326 VanDerWaalsContact O-N 3.07Å; F324-C326 VanDerWaalsContact C-N 3.31Å; C326-D328 WeakPolarHBondContact CA-OD1 3.49Å; C326-D328 PolarHBondContact O-N 2.89Å; C326-A329 HydrophobicContact CB-CB 4.32Å; C326-A329 PolarHBondContact O-N 3.33Å; C326-L330 PolarHBondContact O-N 2.88Å
327Y89.3Confident88.8Confident122 Ų12292.3 Ų92.348%0.47849%0.493SS..Hα-helixtrans-66.1-30.7176-69.3-62.3000111.6F322 N325 L330 T331F322-Y327 HydrophobicContact CD2-CD2 4.18Å; F322-Y327 HydrophobicContact CD2-CG 4.19Å; F322-Y327 HydrophobicContact CE2-CG 4.22Å; F322-Y327 PolarHBondContact O-N 2.65Å; N325-Y327 HydrophobicContact CB-CD2 3.63Å; N325-Y327 HydrophobicContact CB-CE2 3.45Å; N325-Y327 VanDerWaalsContact CB-CE2 3.45Å; N325-Y327 PolarHBondContact O-N 3.3Å; Y327-L330 PolarHBondContact O-N 3.01Å; Y327-T331 VanDerWaalsContact O-CG2 3.29Å; Y327-T331 WeakPolarHBondContact O-CG2 3.15Å; Y327-T331 PolarHBondContact O-N 2.87Å; Y327-T331 PolarHBondContact O-OG1 3.38Å
328D89.5Confident89.5Confident60 Ų6093 Ų9332%0.32149%0.49SS..Hα-helixtrans-60-48.8170.850.22.1000112.4F322 S323 C326 L330 T331 L332F322-D328 HydrophobicContact CD1-CB 3.97Å; F322-D328 VanDerWaalsContact CE1-CA 3.46Å; F322-D328 HydrophobicContact CE1-CB 3.71Å; F322-D328 VanDerWaalsContact CE1-N 3.28Å; S323-D328 VanDerWaalsContact CA-OD2 3.31Å; S323-D328 WeakPolarHBondContact CA-OD2 3.43Å; S323-D328 WeakPolarHBondContact CB-OD2 3.29Å; S323-D328 PolarHBondContact OG-OD2 3.46Å; C326-D328 WeakPolarHBondContact CA-OD1 3.49Å; C326-D328 PolarHBondContact O-N 2.89Å; D328-L330 VanDerWaalsContact C-N 3.35Å; D328-L330 PolarHBondContact O-N 3.18Å; D328-T331 WeakPolarHBondContact CA-OG1 3.31Å; D328-T331 PolarHBondContact O-N 2.72Å; D328-T331 PolarHBondContact O-OG1 3.02Å; D328-L332 PolarHBondContact O-N 3.31Å
329A90.2Very high90Very high45 Ų4590.2 Ų90.237%0.37249%0.486SS..Hα-helixtrans-62.4-41.5175.700000111.9C326 L332 L333C326-A329 HydrophobicContact CB-CB 4.32Å; C326-A329 PolarHBondContact O-N 3.33Å; A329-L332 PolarHBondContact O-N 3.31Å; A329-L333 WeakPolarHBondContact O-CG 3.49Å; A329-L333 PolarHBondContact O-N 2.95Å
330L92.5Very high90.3Very high99 Ų9988.1 Ų88.152%0.51848%0.478SS..Hα-helixtrans-62.9-44.5176.5-167.775.1000111.2C326 Y327 D328 L332 L333 C334C326-L330 PolarHBondContact O-N 2.88Å; Y327-L330 PolarHBondContact O-N 3.01Å; D328-L330 VanDerWaalsContact C-N 3.35Å; D328-L330 PolarHBondContact O-N 3.18Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.32Å; L330-L333 PolarHBondContact O-N 3.39Å; L330-C334 WeakPolarHBondContact O-CB 3.38Å; L330-C334 PolarHBondContact O-N 3.27Å; L330-C334 PolarHBondContact O-SG 2.96Å; L330-C334 VanDerWaalsContact O-SG 3.32Å
331T94.3Very high90.3Very high81 Ų8187.6 Ų87.650%0.49747%0.472SS..Hα-helixtrans-61.7-38.1176.754.50000112.4F322 Y327 D328 A335F322-T331 HydrophobicContact CZ-CG2 4.09Å; Y327-T331 VanDerWaalsContact O-CG2 3.29Å; Y327-T331 WeakPolarHBondContact O-CG2 3.15Å; Y327-T331 PolarHBondContact O-N 2.87Å; Y327-T331 PolarHBondContact O-OG1 3.38Å; D328-T331 WeakPolarHBondContact CA-OG1 3.31Å; D328-T331 PolarHBondContact O-N 2.72Å; D328-T331 PolarHBondContact O-OG1 3.02Å; T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 3.4Å
332L94.9Very high90.4Very high108 Ų10891.5 Ų91.557%0.56548%0.475SS*.Hα-helixtrans-66.2-44.9175.2-179.164.4000111.8D328 A329 L330 A335 L336D328-L332 PolarHBondContact O-N 3.31Å; A329-L332 PolarHBondContact O-N 3.31Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.32Å; L332-A335 PolarHBondContact O-N 2.91Å; L332-L336 HydrophobicContact CD1-CG 4.5Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CG 3.23Å; L332-L336 PolarHBondContact O-N 2.9Å
333L94.8Very high90.4Very high112 Ų11291 Ų9159%0.58648%0.48SS*.Hα-helixtrans-63-42.9177.3-72.2173.4000111.9A329 L330 L336 F337A329-L333 WeakPolarHBondContact O-CG 3.49Å; A329-L333 PolarHBondContact O-N 2.95Å; L330-L333 PolarHBondContact O-N 3.39Å; L333-L336 PolarHBondContact O-N 2.95Å; L333-F337 WeakPolarHBondContact O-CB 3.37Å; L333-F337 PolarHBondContact O-N 3.26Å
334C95.3Very high90.1Very high60 Ų6097.7 Ų97.741%0.40551%0.506SS..Hα-helixtrans-59.7-47.3173.2-70.20000110.8L330 L336 F337 F338L330-C334 WeakPolarHBondContact O-CB 3.38Å; L330-C334 PolarHBondContact O-N 3.27Å; L330-C334 PolarHBondContact O-SG 2.96Å; L330-C334 VanDerWaalsContact O-SG 3.32Å; C334-L336 PolarHBondContact O-N 2.92Å; C334-F337 PolarHBondContact O-N 3.25Å; C334-F338 WeakPolarHBondContact O-CD2 3.47Å; C334-F338 PolarHBondContact O-N 3.43Å
335A95Very high89.7Confident50 Ų5097.8 Ų97.841%0.41351%0.512SS..Hα-helixtrans-59.5-43.917800000112.4T331 L332 F338 V339T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 3.4Å; L332-A335 PolarHBondContact O-N 2.91Å; A335-F338 PolarHBondContact O-N 3.38Å; A335-V339 VanDerWaalsContact O-CG2 3.3Å; A335-V339 WeakPolarHBondContact O-CG2 3.27Å; A335-V339 PolarHBondContact O-N 3.28Å
336L95.3Very high88.5Confident103 Ų103100.9 Ų100.954%0.53954%0.538SS..Hα-helixtrans-63.5-41.7176.4-70.6173000112.3L332 L333 C334 V339 S340L332-L336 HydrophobicContact CD1-CG 4.5Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CG 3.23Å; L332-L336 PolarHBondContact O-N 2.9Å; L333-L336 PolarHBondContact O-N 2.95Å; C334-L336 PolarHBondContact O-N 2.92Å; L336-V339 PolarHBondContact O-N 3.06Å; L336-S340 PolarHBondContact O-N 3.38Å; L336-S340 PolarHBondContact O-OG 2.97Å
337F93.7Very high88.6Confident120 Ų120102.1 Ų102.153%0.52654%0.539SS..Hα-helixtrans-62.5-45.7176.1-178.7-98.4000111.7L333 C334 V339 S340 H341L333-F337 WeakPolarHBondContact O-CB 3.37Å; L333-F337 PolarHBondContact O-N 3.26Å; C334-F337 PolarHBondContact O-N 3.25Å; F337-V339 PolarHBondContact O-N 3.5Å; F337-S340 PolarHBondContact O-N 3.47Å; F337-S340 PolarHBondContact O-OG 3.4Å; F337-H341 AromaticContact CE1-CD2 3.47Å; F337-H341 VanDerWaalsContact CE1-CD2 3.47Å; F337-H341 WeakPolarHBondContact CE1-CD2 3.45Å; F337-H341 AromaticContact CE1-NE2 3.86Å; F337-H341 AromaticContact CE2-CD2 3.7Å; F337-H341 AromaticContact CE2-NE2 3.72Å; F337-H341 AromaticContact CZ-CD2 3.27Å; F337-H341 WeakPolarHBondContact CZ-CD2 3.11Å; F337-H341 AromaticContact CZ-NE2 3.23Å; F337-H341 WeakPolarHBondContact CZ-NE2 3.34Å; F337-H341 PolarHBondContact O-N 2.91Å
338F92.8Very high88.6Confident151 Ų151101.1 Ų101.166%0.66254%0.543SS*.Hα-helixtrans-60.1-43.9175.2-84.4-69.4000112.2C334 A335 H341 Y342C334-F338 WeakPolarHBondContact O-CD2 3.47Å; C334-F338 PolarHBondContact O-N 3.43Å; A335-F338 PolarHBondContact O-N 3.38Å; F338-H341 PolarHBondContact O-N 3.03Å; F338-Y342 WeakPolarHBondContact O-CB 3.3Å; F338-Y342 PolarHBondContact O-N 2.76Å
339V93Very high88.6Confident91 Ų91103.3 Ų103.355%0.55256%0.555SS**Hα-helixtrans-64.1-42.6176.8171.70000111.1A335 L336 F337 H341 Y342 V343A335-V339 VanDerWaalsContact O-CG2 3.3Å; A335-V339 WeakPolarHBondContact O-CG2 3.27Å; A335-V339 PolarHBondContact O-N 3.28Å; L336-V339 PolarHBondContact O-N 3.06Å; F337-V339 PolarHBondContact O-N 3.5Å; V339-H341 PolarHBondContact O-N 3Å; V339-Y342 PolarHBondContact O-N 2.99Å; V339-V343 HydrophobicContact CG1-CG2 4.25Å; V339-V343 WeakPolarHBondContact O-CB 3.11Å; V339-V343 VanDerWaalsContact O-CG2 3.25Å; V339-V343 WeakPolarHBondContact O-CG2 3.28Å; V339-V343 PolarHBondContact O-N 3.28Å
340S91.3Very high88.5Confident45 Ų45106.8 Ų106.832%0.31557%0.566SS.*Hα-helixtrans-62.5-44177.862.30000112.6L336 F337 Y342 V343 F344L336-S340 PolarHBondContact O-N 3.38Å; L336-S340 PolarHBondContact O-OG 2.97Å; F337-S340 PolarHBondContact O-N 3.47Å; F337-S340 PolarHBondContact O-OG 3.4Å; S340-Y342 PolarHBondContact O-N 3.48Å; S340-V343 PolarHBondContact O-N 3.04Å; S340-F344 WeakPolarHBondContact O-CD2 3.46Å; S340-F344 PolarHBondContact O-N 3.46Å
341H88Confident88.2Confident89 Ų89107.3 Ų107.341%0.41257%0.569SS.*Hα-helixtrans-62.1-45.4176.7-100.1-72.5000111.7F337 F338 V339 V343 F344 D345F337-H341 AromaticContact CE1-CD2 3.47Å; F337-H341 VanDerWaalsContact CE1-CD2 3.47Å; F337-H341 WeakPolarHBondContact CE1-CD2 3.45Å; F337-H341 AromaticContact CE1-NE2 3.86Å; F337-H341 AromaticContact CE2-CD2 3.7Å; F337-H341 AromaticContact CE2-NE2 3.72Å; F337-H341 AromaticContact CZ-CD2 3.27Å; F337-H341 WeakPolarHBondContact CZ-CD2 3.11Å; F337-H341 AromaticContact CZ-NE2 3.23Å; F337-H341 WeakPolarHBondContact CZ-NE2 3.34Å; F337-H341 PolarHBondContact O-N 2.91Å; F338-H341 PolarHBondContact O-N 3.03Å; V339-H341 PolarHBondContact O-N 3Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.47Å; H341-F344 PolarHBondContact O-N 2.95Å; H341-D345 IonicContact CG-OD2 3.78Å; H341-D345 IonicContact ND1-OD2 3.54Å; H341-D345 PolarHBondContact ND1-OD2 3.36Å; H341-D345 VanDerWaalsContact O-CB 3.28Å; H341-D345 WeakPolarHBondContact O-CB 3.25Å; H341-D345 PolarHBondContact O-N 3.37Å
342Y87.9Confident87.8Confident177 Ų177109 Ų10969%0.69457%0.573SS**Hα-helixtrans-63.6-31.8179.2-165.8-92000113.1F338 V339 S340 C346F338-Y342 WeakPolarHBondContact O-CB 3.3Å; F338-Y342 PolarHBondContact O-N 2.76Å; V339-Y342 PolarHBondContact O-N 2.99Å; S340-Y342 PolarHBondContact O-N 3.48Å; Y342-C346 WeakPolarHBondContact O-CB 3.5Å; Y342-C346 PolarHBondContact O-SG 3.3Å
343V86.4Confident87.3Confident90 Ų90109.1 Ų109.155%0.54557%0.574SS.*Hα-helixtrans-82.4-29.9179.6172.50000113.1V339 S340 H341V339-V343 HydrophobicContact CG1-CG2 4.25Å; V339-V343 WeakPolarHBondContact O-CB 3.11Å; V339-V343 VanDerWaalsContact O-CG2 3.25Å; V339-V343 WeakPolarHBondContact O-CG2 3.28Å; V339-V343 PolarHBondContact O-N 3.28Å; S340-V343 PolarHBondContact O-N 3.04Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.47Å
344F78.5Confident86.7Confident170 Ų170108.8 Ų108.875%0.74657%0.573SS**Hα-helixtrans-92.7-22.6-179.9-72.5-67.2000114S340 H341S340-F344 WeakPolarHBondContact O-CD2 3.46Å; S340-F344 PolarHBondContact O-N 3.46Å; H341-F344 PolarHBondContact O-N 2.95Å
345D73.3Confident86Confident126 Ų126112.9 Ų112.967%0.67459%0.587SS**  trans-89.3-1.6175.8-65.5-37.2000113H341H341-D345 IonicContact CG-OD2 3.78Å; H341-D345 IonicContact ND1-OD2 3.54Å; H341-D345 PolarHBondContact ND1-OD2 3.36Å; H341-D345 VanDerWaalsContact O-CB 3.28Å; H341-D345 WeakPolarHBondContact O-CB 3.25Å; H341-D345 PolarHBondContact O-N 3.37Å
346C57Low85.2Confident143 Ų143118.6 Ų118.697%0.96660%0.603SS**  trans-108.60169.3-75.40000110Y342Y342-C346 WeakPolarHBondContact O-CB 3.5Å; Y342-C346 PolarHBondContact O-SG 3.3Å

Retrieved 346 of 346 residues in 197.6 ms (Link to these results)

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