A0A077ZJH6_TRITR Loading...

Splicing factor 3B subunit 6

AlphaFold DB , UniProt , Accession A0A077ZJH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M50Low50.2Low256 Ų256173.8 Ų173.8100%1.26187%0.873SS**  0129.40-81.7168.6160.500109
2G58.9Low49.7Very low85 Ų85165.1 Ų165.188%0.87686%0.859SS**  trans91.271.3157.100000120.2
3R46Very low49.3Very low247 Ų247164.8 Ų164.893%0.93286%0.86SS**  trans-96.6135.2152.7-79.1-179.3175.1164.3-1.4108.7
4R50.3Low49.2Very low240 Ų240167.5 Ų167.591%0.90686%0.862SS**  trans173.8103.7151.3-97.9165.3-177.4-162.91108
5S54Low49.3Very low105 Ų105161.5 Ų161.573%0.73485%0.847SS**  68.610771.671.80000115.6
6N47.5Very low49.2Very low152 Ų152160.9 Ų160.981%0.81384%0.843SS**  74.9111.6126.7-143.922.8000119.8
7V53.7Low49.4Very low149 Ų149158 Ų15890%0.90383%0.833SS**  trans-144.8103.5142.6-177.20000108.5
8G48.7Very low49.2Very low52 Ų52156.9 Ų156.954%0.53683%0.828SS.*  trans-95167162.400000111.6
9R46.3Very low49.1Very low244 Ų244157.9 Ų157.992%0.92183%0.825SS**  trans76.8117.1171-53.7179.2-173.9155.91.5115.4
10K53.9Low48.9Very low200 Ų200157.2 Ų157.287%0.8782%0.821SS**  -157.4119.493.7-92.9-171.5-177.8-170.70110.1G12K10-G12 PolarHBondContact O-N 3.45Å
11Q43.3Very low48.7Very low182 Ų182154.3 Ų154.385%0.8581%0.811SS**  trans-56.9125.7163.5-166.684.73900107.1D13Q11-D13 PolarHBondContact O-N 3.04Å
12G44.3Very low48.8Very low69 Ų69150.8 Ų150.871%0.71179%0.788SS**  trans-64.9119.417800000110.8K10 F14K10-G12 PolarHBondContact O-N 3.45Å; G12-F14 PolarHBondContact O-N 3.28Å
13D44.6Very low48.5Very low161 Ų161153.3 Ų153.386%0.86178%0.777SS**  trans-62.296.2165.2-67.3-56.6000108.9Q11 A15Q11-D13 PolarHBondContact O-N 3.04Å; D13-A15 PolarHBondContact O-N 3.1Å
14F46.9Very low49.4Very low203 Ų203146.4 Ų146.489%0.8976%0.762SS**  trans-81.599.4166-145.1-94.9000107.1G12 I16G12-F14 PolarHBondContact O-N 3.28Å; F14-I16 PolarHBondContact O-N 3.26Å; F14-I16 VanDerWaalsContact O-N 3.1Å
15A50.9Low50.5Low77 Ų77145.2 Ų145.264%0.63676%0.758SS**  trans-48.9114.6-178.800000111.8D13 T17D13-A15 PolarHBondContact O-N 3.1Å; A15-T17 VanDerWaalsContact C-N 3.29Å; A15-T17 PolarHBondContact O-N 3.06Å
16I47.9Very low51.7Low152 Ų152142 Ų14278%0.77973%0.732SS**  trans-67.592.2163.2-59.9-171.6000106.8F14 N18F14-I16 PolarHBondContact O-N 3.26Å; F14-I16 VanDerWaalsContact O-N 3.1Å; I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 2.94Å
17T52.3Low53.5Low112 Ų112137.5 Ų137.569%0.68771%0.711SS**  trans-78.686.4168.9-53.30000107.8A15 K19A15-T17 VanDerWaalsContact C-N 3.29Å; A15-T17 PolarHBondContact O-N 3.06Å; T17-K19 HydrophobicContact CG2-CG 4.25Å; T17-K19 PolarHBondContact O-N 2.88Å
18N45.8Very low54.9Low139 Ų139136.7 Ų136.774%0.74371%0.709SS**  trans-63.887.9161.1-106.7-4.4000107.7I16 L20I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 2.94Å; N18-L20 PolarHBondContact O-N 3.08Å; N18-L20 VanDerWaalsContact O-N 3.08Å
19K48.4Very low56.6Low175 Ų175138.7 Ų138.776%0.76171%0.705SS**  trans-62.2109.2158-75.4-169.5177.5-175.40106T17 T21T17-K19 HydrophobicContact CG2-CG 4.25Å; T17-K19 PolarHBondContact O-N 2.88Å; K19-T21 PolarHBondContact O-N 2.76Å
20L44.6Very low58.7Low144 Ų144127.8 Ų127.875%0.75467%0.665SS**  trans-60.684.2161.3-85.694.7000107.8N18 F22N18-L20 PolarHBondContact O-N 3.08Å; N18-L20 VanDerWaalsContact O-N 3.08Å; L20-F22 HydrophobicContact CD2-CE2 4.35Å; L20-F22 PolarHBondContact O-N 3.18Å
21T45.2Very low60.4Low97 Ų97120.7 Ų120.760%0.59564%0.637SS**  trans-70.2104.4154.656.30000104.8K19 Q23K19-T21 PolarHBondContact O-N 2.76Å; T21-Q23 PolarHBondContact O-N 2.74Å
22F51.5Low62.9Low182 Ų182118.4 Ų118.480%0.79862%0.62SS**  trans-6085.7157-80.3-89.1000106.2L20 V24L20-F22 HydrophobicContact CD2-CE2 4.35Å; L20-F22 PolarHBondContact O-N 3.18Å; F22-V24 PolarHBondContact O-N 2.86Å
23Q51.9Low65.3Low138 Ų138116.6 Ų116.665%0.64560%0.595SS**  trans-66.693.4168.2-74.3-178.1-500105.1T21 R25T21-Q23 PolarHBondContact O-N 2.74Å; Q23-R25 PolarHBondContact O-N 2.96Å
24V65.3Low67.7Low101 Ų101108.9 Ų108.961%0.61255%0.554SS**  trans-5897.9164.8177.20000105.2F22 L26 F81F22-V24 PolarHBondContact O-N 2.86Å; V24-L26 PolarHBondContact O-N 3.44Å; V24-F81 HydrophobicContact CB-CE1 4.34Å; V24-F81 HydrophobicContact CG1-CE1 4.23Å
25R72.9Confident69.9Low215 Ų215100 Ų10081%0.81152%0.515SS*.  trans-72.8102.9179.4-71.6-168.4173.7-167.3-0.9106.9Q23Q23-R25 PolarHBondContact O-N 2.96Å
26L79.8Confident72Confident39 Ų3996.3 Ų96.320%0.20448%0.484CS..  trans-65.2143.6170.8-68.8176.7000109.5V24 V30 I80 F81 K84V24-L26 PolarHBondContact O-N 3.44Å; L26-V30 HydrophobicContact CB-CB 4.23Å; L26-V30 HydrophobicContact CB-CG2 4.39Å; L26-V30 HydrophobicContact CD1-CG1 4.16Å; L26-I80 HydrophobicContact CD1-CB 4.24Å; L26-I80 HydrophobicContact CD1-CD1 3.8Å; L26-I80 HydrophobicContact CD1-CG1 3.73Å; L26-I80 HydrophobicContact CD1-CG2 3.59Å; L26-F81 HydrophobicContact CD1-CD1 3.91Å; L26-F81 HydrophobicContact CD1-CE1 3.67Å; L26-F81 HydrophobicContact CD1-CZ 4.15Å; L26-F81 HydrophobicContact CD2-CD1 4Å; L26-F81 HydrophobicContact CD2-CE1 3.8Å; L26-F81 HydrophobicContact CG-CD1 4.28Å; L26-F81 HydrophobicContact CG-CE1 3.77Å; L26-F81 HydrophobicContact CG-CZ 4.43Å; L26-K84 HydrophobicContact CD2-CD 3.7Å
27P84.8Confident74.1Confident56 Ų5693.6 Ų93.636%0.36447%0.467SS..  trans-52.9144.8172.2-25.232.8000111.3E29 V30P27-E29 HydrophobicContact CB-CG 4.26Å; P27-E29 WeakPolarHBondContact CB-OE1 2.95Å; P27-E29 WeakPolarHBondContact CB-OE2 3.31Å; P27-E29 PolarHBondContact O-N 3.26Å; P27-E29 VanDerWaalsContact O-N 3.07Å; P27-V30 HydrophobicContact CB-CG2 4.09Å; P27-V30 HydrophobicContact CG-CG2 4.19Å; P27-V30 WeakPolarHBondContact O-CB 3.33Å; P27-V30 WeakPolarHBondContact O-CG2 3.26Å; P27-V30 PolarHBondContact O-N 2.79Å
28P84.5Confident76.1Confident132 Ų13291 Ų9186%0.85745%0.449SS*.THydrogen-bonded Turntrans-62.7-18.4-17426.7-35.9000113.7V30P28-V30 VanDerWaalsContact C-N 3.35Å
29E84.6Confident78.3Confident95 Ų9584.5 Ų84.544%0.44441%0.414SS..THydrogen-bonded Turntrans-76.3-18.7174.567.1-87.6-160.200114.1P27 N31 Y104P27-E29 HydrophobicContact CB-CG 4.26Å; P27-E29 WeakPolarHBondContact CB-OE1 2.95Å; P27-E29 WeakPolarHBondContact CB-OE2 3.31Å; P27-E29 PolarHBondContact O-N 3.26Å; P27-E29 VanDerWaalsContact O-N 3.07Å; E29-N31 PolarHBondContact O-N 3.37Å; E29-Y104 HydrophobicContact CG-CD2 4.23Å; E29-Y104 WeakPolarHBondContact O-CB 3.19Å
30V89Confident80.4Confident15 Ų1576.7 Ų76.79%0.09138%0.381CS..  trans-69.9130.8-176.4-177.80000109.8L26 P27 P28 I80 K84 Y104L26-V30 HydrophobicContact CB-CB 4.23Å; L26-V30 HydrophobicContact CB-CG2 4.39Å; L26-V30 HydrophobicContact CD1-CG1 4.16Å; P27-V30 HydrophobicContact CB-CG2 4.09Å; P27-V30 HydrophobicContact CG-CG2 4.19Å; P27-V30 WeakPolarHBondContact O-CB 3.33Å; P27-V30 WeakPolarHBondContact O-CG2 3.26Å; P27-V30 PolarHBondContact O-N 2.79Å; P28-V30 VanDerWaalsContact C-N 3.35Å; V30-I80 HydrophobicContact CG1-CD1 4.09Å; V30-I80 HydrophobicContact CG1-CG1 3.75Å; V30-K84 HydrophobicContact CG1-CB 4.04Å; V30-K84 HydrophobicContact CG1-CG 4.42Å; V30-Y104 HydrophobicContact CB-CE1 4.29Å; V30-Y104 HydrophobicContact CG1-CD1 4.33Å; V30-Y104 HydrophobicContact CG1-CE1 3.76Å; V30-Y104 HydrophobicContact CG2-CE1 4.4Å; V30-Y104 HydrophobicContact CG2-CE2 4.07Å
31N91Very high82.6Confident51 Ų5177.6 Ų77.627%0.27338%0.376SS..  trans-137.9149-177.6-159.4-32.3000109.9E29 V33 A83 Y105E29-N31 PolarHBondContact O-N 3.37Å; N31-V33 PolarHBondContact O-N 2.75Å; N31-V33 PolarHBondContact OD1-N 2.8Å; N31-A83 WeakPolarHBondContact O-CB 3.32Å; N31-Y105 PolarHBondContact ND2-O 3.45Å
32R93.9Very high84.8Confident133 Ų13382.3 Ų82.350%0.50239%0.388SS..SBendtrans-63.8-21.7171.5-71.6-175.5-68.2172.8-0.7112.9Y77 E78 I80R32-Y77 PolarHBondContact O-N 2.73Å; R32-E78 WeakPolarHBondContact CD-O 3.17Å; R32-I80 HydrophobicContact CG-CB 3.7Å; R32-I80 HydrophobicContact CG-CG1 4.18Å
33V95.1Very high86.7Confident31 Ų3174.6 Ų74.619%0.18836%0.355CS..EExtended strand (participates in β ladder)trans-96.5122.5177.9-1720000109.2N31 F74 V75 V76 Y105N31-V33 PolarHBondContact O-N 2.75Å; N31-V33 PolarHBondContact OD1-N 2.8Å; V33-F74 HydrophobicContact CG1-CB 4.42Å; V33-F74 HydrophobicContact CG1-CD1 4.16Å; V33-V75 CarbonylContact C-O 3.58Å; V33-V75 WeakPolarHBondContact CA-O 3.28Å; V33-V76 HydrophobicContact CG1-CG2 4.24Å; V33-V76 HydrophobicContact CG2-CG1 4.2Å; V33-V76 HydrophobicContact CG2-CG2 4.12Å; V33-Y105 HydrophobicContact CB-CD1 4.47Å; V33-Y105 HydrophobicContact CB-CG 4.15Å; V33-Y105 HydrophobicContact CG1-CD2 4.37Å; V33-Y105 HydrophobicContact CG1-CG 3.98Å; V33-Y105 WeakPolarHBondContact O-CB 3.35Å; V33-Y105 PolarHBondContact O-N 3.05Å
34L95.1Very high88.6Confident0 Ų071 Ų710%034%0.343CS..EExtended strand (participates in β ladder)trans-102138.9170.8-56.7-175.3000110I36 F74 V75 Y77 A83 A86 C87 V102 L103 Y104L34-I36 HydrophobicContact CB-CD1 3.9Å; L34-F74 CarbonylContact O-C 3.54Å; L34-F74 VanDerWaalsContact O-CA 3.3Å; L34-F74 WeakPolarHBondContact O-CA 3.46Å; L34-V75 PolarHBondContact N-O 2.92Å; L34-V75 PolarHBondContact O-N 2.8Å; L34-Y77 HydrophobicContact CD1-CD2 4.38Å; L34-Y77 HydrophobicContact CD1-CE2 3.75Å; L34-Y77 HydrophobicContact CG-CE2 4.32Å; L34-A83 HydrophobicContact CD2-CB 4.29Å; L34-A83 HydrophobicContact CG-CB 4.36Å; L34-A86 HydrophobicContact CD1-CB 3.88Å; L34-C87 HydrophobicContact CD1-CB 4.35Å; L34-C87 HydrophobicContact CD2-CB 4.01Å; L34-V102 HydrophobicContact CB-CG1 4.25Å; L34-V102 HydrophobicContact CD1-CG1 3.79Å; L34-V102 HydrophobicContact CG-CG1 4.44Å; L34-L103 CarbonylContact C-O 3.54Å; L34-L103 WeakPolarHBondContact CA-O 3.34Å; L34-Y104 HydrophobicContact CD2-CD1 3.53Å; L34-Y104 HydrophobicContact CD2-CE1 3.79Å; L34-Y104 HydrophobicContact CD2-CG 4.49Å
35Y94.3Very high89.9Confident16 Ų1669 Ų696%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-103.1118.2170.3179.1-119.5000109.6K37 T72 F74 L103 R113Y35-K37 HydrophobicContact CD1-CD 4.32Å; Y35-K37 HydrophobicContact CD1-CG 3.9Å; Y35-K37 HydrophobicContact CE1-CD 3.64Å; Y35-K37 HydrophobicContact CE1-CG 3.28Å; Y35-T72 HydrophobicContact CE2-CG2 4.36Å; Y35-T72 VanDerWaalsContact OH-CG2 3.27Å; Y35-T72 WeakPolarHBondContact OH-CG2 3.22Å; Y35-F74 AromaticContact CD2-CD1 3.79Å; Y35-F74 HydrophobicContact CD2-CD1 3.79Å; Y35-F74 AromaticContact CD2-CE1 3.25Å; Y35-F74 HydrophobicContact CD2-CE1 3.25Å; Y35-F74 HydrophobicContact CD2-CE2 4.25Å; Y35-F74 HydrophobicContact CD2-CG 4.47Å; Y35-F74 AromaticContact CD2-CZ 3.54Å; Y35-F74 HydrophobicContact CD2-CZ 3.54Å; Y35-F74 HydrophobicContact CE2-CE1 4.02Å; Y35-F74 HydrophobicContact CE2-CE2 4.34Å; Y35-F74 AromaticContact CE2-CZ 3.8Å; Y35-F74 HydrophobicContact CE2-CZ 3.8Å; Y35-F74 HydrophobicContact CG-CD1 4.47Å; Y35-F74 AromaticContact CG-CE1 3.94Å; Y35-F74 HydrophobicContact CG-CE1 3.94Å; Y35-L103 HydrophobicContact CD1-CD1 4.4Å; Y35-L103 PolarHBondContact N-O 3.13Å; Y35-L103 PolarHBondContact O-N 3.38Å; Y35-R113 PolarHBondContact OH-NH1 3.24Å; Y35-R113 PolarHBondContact OH-NH2 3.17Å
36I94Very high90.9Very high0 Ų066 Ų660%033%0.332CS..EExtended strand (participates in β ladder)trans-103.1134.6-177.4-39.9-55.8000108.3L34 L39 F52 T72 A73 V75 V101 V102L34-I36 HydrophobicContact CB-CD1 3.9Å; I36-L39 HydrophobicContact CB-CD1 4.01Å; I36-L39 HydrophobicContact CB-CG 4.4Å; I36-L39 HydrophobicContact CG2-CD1 3.88Å; I36-L39 HydrophobicContact CG2-CD2 3.89Å; I36-L39 HydrophobicContact CG2-CG 3.74Å; I36-F52 HydrophobicContact CB-CZ 4.48Å; I36-F52 HydrophobicContact CD1-CE1 3.44Å; I36-F52 VanDerWaalsContact CD1-CE1 3.44Å; I36-F52 HydrophobicContact CD1-CZ 3.51Å; I36-F52 HydrophobicContact CG1-CE1 4.03Å; I36-F52 HydrophobicContact CG1-CE2 4.43Å; I36-F52 HydrophobicContact CG1-CZ 3.63Å; I36-F52 HydrophobicContact CG2-CZ 4.04Å; I36-T72 CarbonylContact O-C 3.59Å; I36-T72 WeakPolarHBondContact O-CA 3.48Å; I36-T72 WeakPolarHBondContact O-CB 3.36Å; I36-A73 HydrophobicContact CB-CB 4.36Å; I36-A73 HydrophobicContact CG1-CB 4.46Å; I36-A73 PolarHBondContact N-O 3Å; I36-A73 PolarHBondContact O-N 3.12Å; I36-V75 HydrophobicContact CD1-CG2 4.32Å; I36-V75 HydrophobicContact CG1-CG2 3.89Å; I36-V101 CarbonylContact C-O 3.46Å; I36-V101 WeakPolarHBondContact CA-O 3.37Å; I36-V102 HydrophobicContact CD1-CB 4.25Å; I36-V102 HydrophobicContact CD1-CG1 3.69Å; I36-V102 HydrophobicContact CD1-CG2 4.01Å
37K93Very high91.6Very high95 Ų9567.9 Ų67.941%0.41334%0.339SS..EExtended strand (participates in β ladder)trans-124.2165.7170.7-48.6172.967-175.10110.4Y35 L39 G71 V101 L103Y35-K37 HydrophobicContact CD1-CD 4.32Å; Y35-K37 HydrophobicContact CD1-CG 3.9Å; Y35-K37 HydrophobicContact CE1-CD 3.64Å; Y35-K37 HydrophobicContact CE1-CG 3.28Å; K37-L39 PolarHBondContact O-N 2.86Å; K37-G71 CarbonylContact C-O 3.54Å; K37-V101 HydrophobicContact CB-CB 4.14Å; K37-V101 HydrophobicContact CD-CG1 4.45Å; K37-V101 PolarHBondContact N-O 2.65Å; K37-V101 PolarHBondContact O-N 2.91Å; K37-L103 HydrophobicContact CD-CD1 4.36Å
38N93.3Very high92Very high58 Ų5865.2 Ų65.231%0.3132%0.322SS..SBendtrans67.323.1177.1-158.336.4000114G71 R98 Y99N38-G71 PolarHBondContact N-O 3.23Å; N38-R98 PolarHBondContact O-NE 2.77Å; N38-R98 PolarHBondContact OD1-NE 3.37Å; N38-R98 PolarHBondContact OD1-NH2 3.05Å; N38-Y99 PolarHBondContact ND2-O 2.64Å
39L92.9Very high92.6Very high1 Ų164.2 Ų64.21%0.00530%0.302CS..  trans-64.2143.7175.3-73.6164.2000110.9I36 K37 Y41 I43 M48 G71 A73 L100I36-L39 HydrophobicContact CB-CD1 4.01Å; I36-L39 HydrophobicContact CB-CG 4.4Å; I36-L39 HydrophobicContact CG2-CD1 3.88Å; I36-L39 HydrophobicContact CG2-CD2 3.89Å; I36-L39 HydrophobicContact CG2-CG 3.74Å; K37-L39 PolarHBondContact O-N 2.86Å; L39-Y41 PolarHBondContact O-N 2.87Å; L39-I43 HydrophobicContact CB-CG2 4.3Å; L39-I43 HydrophobicContact CD2-CD1 3.92Å; L39-M48 HydrophobicContact CD1-CE 3.95Å; L39-M48 HydrophobicContact CD1-SD 4.2Å; L39-M48 HydrophobicContact CD2-CE 4.29Å; L39-M48 HydrophobicContact CD2-SD 3.71Å; L39-G71 PolarHBondContact N-O 3.45Å; L39-G71 WeakPolarHBondContact O-CA 3.31Å; L39-A73 HydrophobicContact CD1-CB 3.4Å; L39-L100 HydrophobicContact CD2-CD1 4.28Å; L39-L100 HydrophobicContact CD2-CD2 3.6Å; L39-L100 HydrophobicContact CG-CD2 4.21Å
40P92.1Very high93Very high11 Ų1164.9 Ų64.97%0.07131%0.308CS..  trans-55.7135.4167.8-21.432000110.6K42 I43 V95 C96P40-K42 PolarHBondContact O-N 3.41Å; P40-K42 VanDerWaalsContact O-N 3.1Å; P40-I43 HydrophobicContact CB-CB 4.42Å; P40-I43 WeakPolarHBondContact O-CB 3.5Å; P40-I43 VanDerWaalsContact O-CG2 3.3Å; P40-I43 WeakPolarHBondContact O-CG2 3.29Å; P40-I43 PolarHBondContact O-N 3.26Å; P40-I43 VanDerWaalsContact O-N 3.09Å; P40-V95 HydrophobicContact CG-CB 4.13Å; P40-V95 HydrophobicContact CG-CG1 3.84Å; P40-C96 HydrophobicContact CB-CB 4.3Å; P40-C96 HydrophobicContact CG-CB 3.93Å
41Y91.1Very high93.3Very high164 Ų16465.1 Ų65.164%0.64331%0.309SS*.THydrogen-bonded Turntrans-65.2-16.6-178.7-61-33.3000114.2L39 R70L39-Y41 PolarHBondContact O-N 2.87Å; Y41-R70 HydrophobicContact CD1-CB 4.29Å; Y41-R70 HydrophobicContact CE1-CB 4.25Å
42K90.7Very high93.5Very high195 Ų19562.7 Ų62.785%0.84830%0.296SS*.THydrogen-bonded Turntrans-102.29.8178.5-63.2-172.7176.9-1760113.2P40 T44P40-K42 PolarHBondContact O-N 3.41Å; P40-K42 VanDerWaalsContact O-N 3.1Å; K42-T44 PolarHBondContact O-N 2.87Å
43I91.6Very high93.6Very high20 Ų2058 Ų5810%0.10329%0.289CS..  trans-64.5131.5-179.4-162160.3000110.6L39 P40 E47 M48 I51 V95L39-I43 HydrophobicContact CB-CG2 4.3Å; L39-I43 HydrophobicContact CD2-CD1 3.92Å; P40-I43 HydrophobicContact CB-CB 4.42Å; P40-I43 WeakPolarHBondContact O-CB 3.5Å; P40-I43 VanDerWaalsContact O-CG2 3.3Å; P40-I43 WeakPolarHBondContact O-CG2 3.29Å; P40-I43 PolarHBondContact O-N 3.26Å; P40-I43 VanDerWaalsContact O-N 3.09Å; I43-E47 HydrophobicContact CD1-CB 4.44Å; I43-E47 HydrophobicContact CG1-CB 3.94Å; I43-M48 HydrophobicContact CD1-CG 4.17Å; I43-M48 HydrophobicContact CD1-SD 3.58Å; I43-M48 VanDerWaalsContact CD1-SD 3.58Å; I43-M48 HydrophobicContact CG1-CG 4.13Å; I43-M48 HydrophobicContact CG1-SD 4.15Å; I43-M48 HydrophobicContact CG2-CG 4.44Å; I43-M48 HydrophobicContact CG2-SD 4.28Å; I43-I51 HydrophobicContact CD1-CD1 4.24Å; I43-V95 HydrophobicContact CD1-CG1 4.22Å
44T92.5Very high93.6Very high64 Ų6464.7 Ų64.739%0.39332%0.315SS..  trans-86.4160.4179.763.40000111.1K42 E46 E47 M48K42-T44 PolarHBondContact O-N 2.87Å; T44-E46 VanDerWaalsContact C-N 3.27Å; T44-E46 PolarHBondContact O-N 2.98Å; T44-E47 PolarHBondContact N-OE2 3.28Å; T44-E47 PolarHBondContact O-N 2.85Å; T44-E47 WeakPolarHBondContact OG1-CB 3.17Å; T44-E47 VanDerWaalsContact OG1-CG 3.22Å; T44-E47 WeakPolarHBondContact OG1-CG 3.16Å; T44-E47 PolarHBondContact OG1-N 3.24Å; T44-E47 PolarHBondContact OG1-OE2 2.8Å; T44-M48 WeakPolarHBondContact O-CG 3.19Å; T44-M48 PolarHBondContact O-N 3.28Å
45A91.9Very high93.6Very high57 Ų5767 Ų6747%0.47132%0.324SS..Hα-helixtrans-62.4-37.9174.300000111.4M48 Y49A45-M48 WeakPolarHBondContact O-CB 3.4Å; A45-M48 PolarHBondContact O-N 2.97Å; A45-Y49 WeakPolarHBondContact O-CD2 3.39Å; A45-Y49 PolarHBondContact O-N 3.47Å
46E94.2Very high93.7Very high154 Ų15467.1 Ų67.172%0.7233%0.331SS*.Hα-helixtrans-59.9-49.9177.9-64.1179.6168.600111.3T44 M48 Y49 D50T44-E46 VanDerWaalsContact C-N 3.27Å; T44-E46 PolarHBondContact O-N 2.98Å; E46-M48 PolarHBondContact O-N 2.82Å; E46-Y49 PolarHBondContact O-N 2.8Å; E46-D50 PolarHBondContact O-N 3.07Å
47E93.8Very high93.8Very high77 Ų7770 Ų7036%0.3635%0.354SS..Hα-helixtrans-58.8-36.4175.7-72.1167.7126.200112.3I43 T44 D50 I51I43-E47 HydrophobicContact CD1-CB 4.44Å; I43-E47 HydrophobicContact CG1-CB 3.94Å; T44-E47 PolarHBondContact N-OE2 3.28Å; T44-E47 PolarHBondContact O-N 2.85Å; T44-E47 WeakPolarHBondContact OG1-CB 3.17Å; T44-E47 VanDerWaalsContact OG1-CG 3.22Å; T44-E47 WeakPolarHBondContact OG1-CG 3.16Å; T44-E47 PolarHBondContact OG1-N 3.24Å; T44-E47 PolarHBondContact OG1-OE2 2.8Å; E47-D50 PolarHBondContact O-N 3.06Å; E47-I51 WeakPolarHBondContact O-CB 3.41Å; E47-I51 WeakPolarHBondContact O-CD1 3.36Å; E47-I51 WeakPolarHBondContact O-CG1 3.1Å; E47-I51 PolarHBondContact O-N 2.97Å
48M94.3Very high94Very high0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-64.8-43.9175-67.6-71.4-70.100111.4L39 I43 T44 A45 E46 D50 I51 F52 I61 I63 A73 V75L39-M48 HydrophobicContact CD1-CE 3.95Å; L39-M48 HydrophobicContact CD1-SD 4.2Å; L39-M48 HydrophobicContact CD2-CE 4.29Å; L39-M48 HydrophobicContact CD2-SD 3.71Å; I43-M48 HydrophobicContact CD1-CG 4.17Å; I43-M48 HydrophobicContact CD1-SD 3.58Å; I43-M48 VanDerWaalsContact CD1-SD 3.58Å; I43-M48 HydrophobicContact CG1-CG 4.13Å; I43-M48 HydrophobicContact CG1-SD 4.15Å; I43-M48 HydrophobicContact CG2-CG 4.44Å; I43-M48 HydrophobicContact CG2-SD 4.28Å; T44-M48 WeakPolarHBondContact O-CG 3.19Å; T44-M48 PolarHBondContact O-N 3.28Å; A45-M48 WeakPolarHBondContact O-CB 3.4Å; A45-M48 PolarHBondContact O-N 2.97Å; E46-M48 PolarHBondContact O-N 2.82Å; M48-D50 VanDerWaalsContact C-N 3.32Å; M48-D50 PolarHBondContact O-N 3.47Å; M48-I51 PolarHBondContact O-N 3.5Å; M48-F52 HydrophobicContact CE-CD2 3.94Å; M48-F52 HydrophobicContact CE-CE2 3.5Å; M48-F52 VanDerWaalsContact CE-CE2 3.5Å; M48-F52 HydrophobicContact CE-CZ 4.37Å; M48-F52 WeakPolarHBondContact O-CB 3.4Å; M48-F52 VanDerWaalsContact O-CD2 3.28Å; M48-F52 WeakPolarHBondContact O-CD2 3.37Å; M48-F52 PolarHBondContact O-N 3.45Å; M48-F52 HydrophobicContact SD-CD2 4.29Å; M48-F52 HydrophobicContact SD-CE2 3.83Å; M48-I61 HydrophobicContact CB-CD1 3.72Å; M48-I61 HydrophobicContact CB-CG2 4.31Å; M48-I61 HydrophobicContact CE-CG2 3.94Å; M48-I63 HydrophobicContact CG-CD1 4.1Å; M48-A73 HydrophobicContact CE-CB 3.71Å; M48-V75 HydrophobicContact CE-CG2 4.07Å
49Y95.6Very high94.1Very high111 Ų11171.8 Ų71.844%0.43536%0.356SS..Hα-helixtrans-64.5-37.2174.6-79.8-76.7000112A45 E46 G53 I58 I61A45-Y49 WeakPolarHBondContact O-CD2 3.39Å; A45-Y49 PolarHBondContact O-N 3.47Å; E46-Y49 PolarHBondContact O-N 2.8Å; Y49-G53 WeakPolarHBondContact O-CA 3.45Å; Y49-G53 PolarHBondContact O-N 2.96Å; Y49-I58 HydrophobicContact CD1-CB 4.22Å; Y49-I58 HydrophobicContact CD1-CD1 3.85Å; Y49-I58 HydrophobicContact CD1-CG2 4.32Å; Y49-I58 HydrophobicContact CE1-CB 3.92Å; Y49-I58 HydrophobicContact CE1-CD1 4.28Å; Y49-I58 HydrophobicContact CE1-CG2 3.71Å; Y49-I61 HydrophobicContact CD1-CD1 3.97Å; Y49-I61 HydrophobicContact CD2-CD1 4.05Å; Y49-I61 HydrophobicContact CE1-CD1 3.99Å; Y49-I61 HydrophobicContact CE1-CG1 4.16Å; Y49-I61 HydrophobicContact CE2-CD1 4.06Å; Y49-I61 HydrophobicContact CE2-CG1 4.39Å; Y49-I61 HydrophobicContact CG-CD1 3.99Å
50D94.6Very high94.2Very high109 Ų10975.5 Ų75.558%0.58337%0.374SS*.Hα-helixtrans-68.1-36.8178.2-72.8-18.5000113.2E46 E47 M48 K54E46-D50 PolarHBondContact O-N 3.07Å; E47-D50 PolarHBondContact O-N 3.06Å; M48-D50 VanDerWaalsContact C-N 3.32Å; M48-D50 PolarHBondContact O-N 3.47Å; D50-K54 WeakPolarHBondContact O-CD 3.27Å; D50-K54 VanDerWaalsContact O-CE 3.24Å; D50-K54 WeakPolarHBondContact O-CE 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.35Å
51I94.1Very high94.4Very high21 Ų2176.2 Ų76.211%0.10838%0.376CS..Hα-helixtrans-76.5-52179.7-66.7166.5000110.5I43 E47 M48 L90 F93 V95I43-I51 HydrophobicContact CD1-CD1 4.24Å; E47-I51 WeakPolarHBondContact O-CB 3.41Å; E47-I51 WeakPolarHBondContact O-CD1 3.36Å; E47-I51 WeakPolarHBondContact O-CG1 3.1Å; E47-I51 PolarHBondContact O-N 2.97Å; M48-I51 PolarHBondContact O-N 3.5Å; I51-L90 HydrophobicContact CG2-CD1 4.11Å; I51-L90 HydrophobicContact CG2-CD2 3.74Å; I51-F93 HydrophobicContact CD1-CE1 4.36Å; I51-F93 HydrophobicContact CG1-CE1 4.28Å; I51-F93 HydrophobicContact CG2-CD1 4.18Å; I51-F93 HydrophobicContact CG2-CE1 4.12Å; I51-V95 HydrophobicContact CD1-CG1 4.3Å; I51-V95 HydrophobicContact CD1-CG2 3.92Å
52F95.7Very high94.5Very high0 Ų075.6 Ų75.60%037%0.373CS..Hα-helixtrans-83.2-31.5-173.1-70.5-83.7000112.1I36 M48 K54 Y55 I58 V75 Y77 L90 L100I36-F52 HydrophobicContact CB-CZ 4.48Å; I36-F52 HydrophobicContact CD1-CE1 3.44Å; I36-F52 VanDerWaalsContact CD1-CE1 3.44Å; I36-F52 HydrophobicContact CD1-CZ 3.51Å; I36-F52 HydrophobicContact CG1-CE1 4.03Å; I36-F52 HydrophobicContact CG1-CE2 4.43Å; I36-F52 HydrophobicContact CG1-CZ 3.63Å; I36-F52 HydrophobicContact CG2-CZ 4.04Å; M48-F52 HydrophobicContact CE-CD2 3.94Å; M48-F52 HydrophobicContact CE-CE2 3.5Å; M48-F52 VanDerWaalsContact CE-CE2 3.5Å; M48-F52 HydrophobicContact CE-CZ 4.37Å; M48-F52 WeakPolarHBondContact O-CB 3.4Å; M48-F52 VanDerWaalsContact O-CD2 3.28Å; M48-F52 WeakPolarHBondContact O-CD2 3.37Å; M48-F52 PolarHBondContact O-N 3.45Å; M48-F52 HydrophobicContact SD-CD2 4.29Å; M48-F52 HydrophobicContact SD-CE2 3.83Å; F52-K54 PolarHBondContact O-N 2.94Å; F52-K54 VanDerWaalsContact O-N 3.13Å; F52-Y55 PolarHBondContact O-N 3.22Å; F52-I58 HydrophobicContact CB-CD1 3.62Å; F52-V75 HydrophobicContact CB-CG1 4.06Å; F52-V75 HydrophobicContact CD1-CB 4.33Å; F52-V75 HydrophobicContact CD1-CG1 4.06Å; F52-V75 HydrophobicContact CD1-CG2 3.97Å; F52-V75 HydrophobicContact CD2-CG2 4.02Å; F52-V75 HydrophobicContact CE1-CG2 4.07Å; F52-V75 HydrophobicContact CE2-CG2 4.13Å; F52-V75 HydrophobicContact CG-CG1 4.08Å; F52-V75 HydrophobicContact CG-CG2 3.96Å; F52-V75 HydrophobicContact CZ-CG2 4.17Å; F52-Y77 WeakPolarHBondContact CB-OH 3.19Å; F52-Y77 PolarHBondContact O-OH 3.41Å; F52-L90 HydrophobicContact CD1-CD1 3.36Å; F52-L90 HydrophobicContact CE1-CD1 3.41Å; F52-L90 VanDerWaalsContact CE1-CD1 3.41Å; F52-L90 HydrophobicContact CG-CD1 4.09Å; F52-L90 HydrophobicContact CZ-CD1 4.16Å; F52-L100 HydrophobicContact CZ-CD1 4.47Å
53G95.4Very high94.6Very high34 Ų3469.6 Ų69.635%0.35135%0.349SS..G310 helixtrans-66.9-17.3-176.800000113.9Y49 Y55 G56Y49-G53 WeakPolarHBondContact O-CA 3.45Å; Y49-G53 PolarHBondContact O-N 2.96Å; G53-Y55 PolarHBondContact O-N 3.36Å; G53-G56 PolarHBondContact O-N 2.87Å
54K95.1Very high94.6Very high171 Ų17169.4 Ų69.474%0.74335%0.352SS*.G310 helixtrans-62.8-21.8174.2-72.3174.9-178.1179.50113.9D50 F52D50-K54 WeakPolarHBondContact O-CD 3.27Å; D50-K54 VanDerWaalsContact O-CE 3.24Å; D50-K54 WeakPolarHBondContact O-CE 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.35Å; F52-K54 PolarHBondContact O-N 2.94Å; F52-K54 VanDerWaalsContact O-N 3.13Å
55Y95.8Very high94.4Very high48 Ų4873 Ų7319%0.18837%0.369CS..G310 helixtrans-98.3-13.5-176.5-61.5-84.2000113.4F52 G53 D82 N85 A86 H89 L90F52-Y55 PolarHBondContact O-N 3.22Å; G53-Y55 PolarHBondContact O-N 3.36Å; Y55-D82 WeakPolarHBondContact O-CB 3.09Å; Y55-N85 HydrophobicContact CD1-CB 4.41Å; Y55-A86 HydrophobicContact CD1-CB 4.28Å; Y55-A86 HydrophobicContact CD2-CB 3.91Å; Y55-A86 HydrophobicContact CG-CB 3.69Å; Y55-H89 HydrophobicContact CE1-CB 3.52Å; Y55-H89 AromaticContact CE1-CG 3.94Å; Y55-H89 VanDerWaalsContact OH-CB 3.31Å; Y55-H89 WeakPolarHBondContact OH-CB 3.16Å; Y55-L90 HydrophobicContact CD2-CD1 3.87Å; Y55-L90 HydrophobicContact CD2-CG 4.23Å; Y55-L90 HydrophobicContact CE2-CD1 3.49Å; Y55-L90 VanDerWaalsContact CE2-CD1 3.49Å; Y55-L90 HydrophobicContact CE2-CD2 3.63Å; Y55-L90 HydrophobicContact CE2-CG 3.41Å; Y55-L90 VanDerWaalsContact CE2-CG 3.41Å; Y55-L90 WeakPolarHBondContact OH-CD2 3.43Å
56G95.2Very high94.2Very high20 Ų2073 Ų7321%0.20636%0.363CS..SBendtrans160.1178.2-176.800000114.3G53 I58 D82G53-G56 PolarHBondContact O-N 2.87Å; G56-I58 PolarHBondContact O-N 3.03Å; G56-D82 VanDerWaalsContact CA-OD2 3.26Å; G56-D82 WeakPolarHBondContact CA-OD2 3.14Å
57A96.5Very high93.9Very high59 Ų5970.2 Ų70.249%0.48836%0.358SS..  trans-71.2126.3179.700000111.1E78A57-E78 HydrophobicContact CB-CB 4.24Å; A57-E78 HydrophobicContact CB-CG 3.9Å; A57-E78 PolarHBondContact O-N 3.49Å
58I96.9Very high93.5Very high30 Ų3073.1 Ų73.115%0.15438%0.376CS..EExtended strand (participates in β ladder)trans-92.4120.4179.9-61.9-177.5000109.8Y49 F52 G56 I61 V75 Y77Y49-I58 HydrophobicContact CD1-CB 4.22Å; Y49-I58 HydrophobicContact CD1-CD1 3.85Å; Y49-I58 HydrophobicContact CD1-CG2 4.32Å; Y49-I58 HydrophobicContact CE1-CB 3.92Å; Y49-I58 HydrophobicContact CE1-CD1 4.28Å; Y49-I58 HydrophobicContact CE1-CG2 3.71Å; F52-I58 HydrophobicContact CB-CD1 3.62Å; G56-I58 PolarHBondContact O-N 3.03Å; I58-I61 HydrophobicContact CD1-CD1 3.86Å; I58-I61 HydrophobicContact CD1-CG1 4.38Å; I58-I61 HydrophobicContact CG2-CD1 4.15Å; I58-I61 HydrophobicContact CG2-CG1 3.57Å; I58-V75 HydrophobicContact CD1-CG1 4.44Å; I58-Y77 HydrophobicContact CG1-CD1 4.41Å; I58-Y77 HydrophobicContact CG1-CE1 4.15Å
59R96Very high93.2Very high162 Ų16275.1 Ų75.161%0.61139%0.389SS*.EExtended strand (participates in β ladder)trans-71.4-45.3172.8-178.884.117595.2-3.4111.2V76 E78R59-V76 WeakPolarHBondContact CA-O 3.39Å; R59-V76 HydrophobicContact CB-CB 4.08Å; R59-V76 HydrophobicContact CB-CG1 3.82Å; R59-V76 WeakPolarHBondContact CB-O 3.45Å; R59-V76 HydrophobicContact CG-CG1 4.02Å; R59-V76 PolarHBondContact N-O 2.81Å; R59-E78 HydrophobicContact CB-CG 4.35Å; R59-E78 WeakPolarHBondContact CD-OE1 3.38Å; R59-E78 VanDerWaalsContact CD-OE2 3.31Å; R59-E78 WeakPolarHBondContact CD-OE2 3.48Å
60Q95.2Very high92.9Very high79 Ų7976.7 Ų76.737%0.36939%0.394SS..EExtended strand (participates in β ladder)trans-164.8143.3-177.1-169.8170.945.300112.1R62 V76Q60-R62 VanDerWaalsContact CD-NE 3.32Å; Q60-R62 HydrophobicContact CG-CG 4.13Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.31Å; Q60-V76 HydrophobicContact CB-CB 4.29Å; Q60-V76 HydrophobicContact CB-CG2 4.3Å; Q60-V76 PolarHBondContact N-O 3.24Å; Q60-V76 PolarHBondContact O-N 3.45Å
61I95.6Very high92.7Very high25 Ų2572 Ų7213%0.12837%0.371CS..EExtended strand (participates in β ladder)trans-116.9133.7164.9-50.4-174.3000109M48 Y49 I58 I63 F74 V75M48-I61 HydrophobicContact CB-CD1 3.72Å; M48-I61 HydrophobicContact CB-CG2 4.31Å; M48-I61 HydrophobicContact CE-CG2 3.94Å; Y49-I61 HydrophobicContact CD1-CD1 3.97Å; Y49-I61 HydrophobicContact CD2-CD1 4.05Å; Y49-I61 HydrophobicContact CE1-CD1 3.99Å; Y49-I61 HydrophobicContact CE1-CG1 4.16Å; Y49-I61 HydrophobicContact CE2-CD1 4.06Å; Y49-I61 HydrophobicContact CE2-CG1 4.39Å; Y49-I61 HydrophobicContact CG-CD1 3.99Å; I58-I61 HydrophobicContact CD1-CD1 3.86Å; I58-I61 HydrophobicContact CD1-CG1 4.38Å; I58-I61 HydrophobicContact CG2-CD1 4.15Å; I58-I61 HydrophobicContact CG2-CG1 3.57Å; I61-I63 HydrophobicContact CG2-CG1 4.22Å; I61-F74 CarbonylContact C-O 3.56Å; I61-F74 WeakPolarHBondContact CA-O 3.48Å; I61-V75 HydrophobicContact CG1-CG1 4.47Å; I61-V75 HydrophobicContact CG2-CG2 4.25Å
62R93.6Very high92.7Very high152 Ų15271.6 Ų71.657%0.57437%0.37SS*.EExtended strand (participates in β ladder)trans-124.4111.3173.1-60.1-173.2-174.5-161.1-0.2109.5Q60 A73 F74Q60-R62 VanDerWaalsContact CD-NE 3.32Å; Q60-R62 HydrophobicContact CG-CG 4.13Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.31Å; R62-A73 CarbonylContact O-C 3.56Å; R62-A73 WeakPolarHBondContact O-CA 3.49Å; R62-A73 WeakPolarHBondContact O-CB 3.35Å; R62-F74 HydrophobicContact CB-CB 4.45Å; R62-F74 PolarHBondContact N-O 3.36Å; R62-F74 PolarHBondContact O-N 2.83Å
63I93.3Very high92.7Very high68 Ų6871.7 Ų71.735%0.34937%0.37SS..EExtended strand (participates in β ladder)trans-89.6134.3177.6-54.7173.4000108.6M48 I61 N65 A73M48-I63 HydrophobicContact CG-CD1 4.1Å; I61-I63 HydrophobicContact CG2-CG1 4.22Å; I63-N65 PolarHBondContact O-N 3Å; I63-A73 HydrophobicContact CG1-CB 4.43Å
64G90.8Very high92.6Very high16 Ų1673.2 Ų73.217%0.16537%0.367CS..  trans-67.1120.917600000111.3T69 T72G64-T69 WeakPolarHBondContact CA-OG1 3.2Å; G64-T72 PolarHBondContact N-O 3.2Å
65N88.1Confident92.7Very high140 Ų14065 Ų6575%0.74933%0.332SS*.  trans-107.8-10.1-175.363.9-9000113.7I63 T69I63-N65 PolarHBondContact O-N 3Å; N65-T69 PolarHBondContact N-OG1 2.83Å
66T89.3Confident92.7Very high57 Ų5764.1 Ų64.135%0.3533%0.331SS..SBendtrans-87.8154.5178.367.70000111D68 T69 R70T66-D68 PolarHBondContact O-N 3.21Å; T66-T69 PolarHBondContact N-OG1 3.47Å; T66-T69 VanDerWaalsContact N-OG1 3.16Å; T66-T69 CarbonylContact O-C 3.51Å; T66-T69 PolarHBondContact O-N 2.99Å; T66-T69 PolarHBondContact O-OG1 3.49Å; T66-T69 WeakPolarHBondContact OG1-CB 3.37Å; T66-T69 WeakPolarHBondContact OG1-CG2 3.45Å; T66-T69 PolarHBondContact OG1-N 2.86Å; T66-T69 PolarHBondContact OG1-OG1 3.39Å; T66-R70 WeakPolarHBondContact O-CG 3.24Å; T66-R70 PolarHBondContact O-N 2.98Å
67P87.2Confident92.8Very high95 Ų9563.2 Ų63.262%0.61732%0.322SS*.THydrogen-bonded Turntrans-48.5-37.1177.4-29.636.7000114.2
68D84.9Confident92.8Very high138 Ų13864.9 Ų64.974%0.73832%0.32SS*.THydrogen-bonded Turntrans-79.6-21.2-179.2-51.2-56.7000114T66T66-D68 PolarHBondContact O-N 3.21Å
69T88.3Confident92.6Very high42 Ų4266.7 Ų66.726%0.25833%0.33SS..THydrogen-bonded Turntrans-110.5-5.7-17862.90000113.6G64 N65 T66 G71 T72G64-T69 WeakPolarHBondContact CA-OG1 3.2Å; N65-T69 PolarHBondContact N-OG1 2.83Å; T66-T69 PolarHBondContact N-OG1 3.47Å; T66-T69 VanDerWaalsContact N-OG1 3.16Å; T66-T69 CarbonylContact O-C 3.51Å; T66-T69 PolarHBondContact O-N 2.99Å; T66-T69 PolarHBondContact O-OG1 3.49Å; T66-T69 WeakPolarHBondContact OG1-CB 3.37Å; T66-T69 WeakPolarHBondContact OG1-CG2 3.45Å; T66-T69 PolarHBondContact OG1-N 2.86Å; T66-T69 PolarHBondContact OG1-OG1 3.39Å; T69-G71 PolarHBondContact O-N 2.8Å; T69-T72 WeakPolarHBondContact O-CB 3.39Å; T69-T72 PolarHBondContact O-N 2.64Å; T69-T72 PolarHBondContact O-OG1 2.93Å
70R89.1Confident92.5Very high144 Ų14461.6 Ų61.654%0.54331%0.314SS..THydrogen-bonded Turntrans-54.7135.2175.5-83.7-172.6-57.3-178.8-0.5110.8Y41 T66 T72Y41-R70 HydrophobicContact CD1-CB 4.29Å; Y41-R70 HydrophobicContact CE1-CB 4.25Å; T66-R70 WeakPolarHBondContact O-CG 3.24Å; T66-R70 PolarHBondContact O-N 2.98Å; R70-T72 VanDerWaalsContact C-N 3.29Å
71G91.4Very high92.4Very high10 Ų1062.7 Ų62.710%0.10332%0.318CS..THydrogen-bonded Turntrans78.213.1-174.900000114.1K37 N38 L39 T69K37-G71 CarbonylContact C-O 3.54Å; N38-G71 PolarHBondContact N-O 3.23Å; L39-G71 PolarHBondContact N-O 3.45Å; L39-G71 WeakPolarHBondContact O-CA 3.31Å; T69-G71 PolarHBondContact O-N 2.8Å
72T93.7Very high92.4Very high14 Ų1463.7 Ų63.79%0.08632%0.323CS..EExtended strand (participates in β ladder)trans-122.7154.1171.176.30000110.7Y35 I36 G64 T69 R70Y35-T72 HydrophobicContact CE2-CG2 4.36Å; Y35-T72 VanDerWaalsContact OH-CG2 3.27Å; Y35-T72 WeakPolarHBondContact OH-CG2 3.22Å; I36-T72 CarbonylContact O-C 3.59Å; I36-T72 WeakPolarHBondContact O-CA 3.48Å; I36-T72 WeakPolarHBondContact O-CB 3.36Å; G64-T72 PolarHBondContact N-O 3.2Å; T69-T72 WeakPolarHBondContact O-CB 3.39Å; T69-T72 PolarHBondContact O-N 2.64Å; T69-T72 PolarHBondContact O-OG1 2.93Å; R70-T72 VanDerWaalsContact C-N 3.29Å
73A94.7Very high92.5Very high1 Ų156.5 Ų56.51%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-149.3159.5173.700000111.1I36 L39 M48 R62 I63I36-A73 HydrophobicContact CB-CB 4.36Å; I36-A73 HydrophobicContact CG1-CB 4.46Å; I36-A73 PolarHBondContact N-O 3Å; I36-A73 PolarHBondContact O-N 3.12Å; L39-A73 HydrophobicContact CD1-CB 3.4Å; M48-A73 HydrophobicContact CE-CB 3.71Å; R62-A73 CarbonylContact O-C 3.56Å; R62-A73 WeakPolarHBondContact O-CA 3.49Å; R62-A73 WeakPolarHBondContact O-CB 3.35Å; I63-A73 HydrophobicContact CG1-CB 4.43Å
74F94.7Very high92.6Very high66 Ų6656.3 Ų56.329%0.28929%0.293SS..EExtended strand (participates in β ladder)trans-110.6128.1165.1-64.4-79.1000109.4V33 L34 Y35 I61 R62 Y105V33-F74 HydrophobicContact CG1-CB 4.42Å; V33-F74 HydrophobicContact CG1-CD1 4.16Å; L34-F74 CarbonylContact O-C 3.54Å; L34-F74 VanDerWaalsContact O-CA 3.3Å; L34-F74 WeakPolarHBondContact O-CA 3.46Å; Y35-F74 AromaticContact CD2-CD1 3.79Å; Y35-F74 HydrophobicContact CD2-CD1 3.79Å; Y35-F74 AromaticContact CD2-CE1 3.25Å; Y35-F74 HydrophobicContact CD2-CE1 3.25Å; Y35-F74 HydrophobicContact CD2-CE2 4.25Å; Y35-F74 HydrophobicContact CD2-CG 4.47Å; Y35-F74 AromaticContact CD2-CZ 3.54Å; Y35-F74 HydrophobicContact CD2-CZ 3.54Å; Y35-F74 HydrophobicContact CE2-CE1 4.02Å; Y35-F74 HydrophobicContact CE2-CE2 4.34Å; Y35-F74 AromaticContact CE2-CZ 3.8Å; Y35-F74 HydrophobicContact CE2-CZ 3.8Å; Y35-F74 HydrophobicContact CG-CD1 4.47Å; Y35-F74 AromaticContact CG-CE1 3.94Å; Y35-F74 HydrophobicContact CG-CE1 3.94Å; I61-F74 CarbonylContact C-O 3.56Å; I61-F74 WeakPolarHBondContact CA-O 3.48Å; R62-F74 HydrophobicContact CB-CB 4.45Å; R62-F74 PolarHBondContact N-O 3.36Å; R62-F74 PolarHBondContact O-N 2.83Å; F74-Y105 HydrophobicContact CD1-CD2 4.03Å; F74-Y105 HydrophobicContact CD1-CE2 4.43Å; F74-Y105 AromaticContact CE1-CD2 3.57Å; F74-Y105 HydrophobicContact CE1-CD2 3.57Å; F74-Y105 AromaticContact CE1-CE2 3.75Å; F74-Y105 HydrophobicContact CE1-CE2 3.75Å; F74-Y105 HydrophobicContact CZ-CE2 4.35Å
75V96.1Very high92.8Very high0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-114.2123.1174.7-179.40000107.5V33 L34 I36 M48 F52 I58 I61 Y77V33-V75 CarbonylContact C-O 3.58Å; V33-V75 WeakPolarHBondContact CA-O 3.28Å; L34-V75 PolarHBondContact N-O 2.92Å; L34-V75 PolarHBondContact O-N 2.8Å; I36-V75 HydrophobicContact CD1-CG2 4.32Å; I36-V75 HydrophobicContact CG1-CG2 3.89Å; M48-V75 HydrophobicContact CE-CG2 4.07Å; F52-V75 HydrophobicContact CB-CG1 4.06Å; F52-V75 HydrophobicContact CD1-CB 4.33Å; F52-V75 HydrophobicContact CD1-CG1 4.06Å; F52-V75 HydrophobicContact CD1-CG2 3.97Å; F52-V75 HydrophobicContact CD2-CG2 4.02Å; F52-V75 HydrophobicContact CE1-CG2 4.07Å; F52-V75 HydrophobicContact CE2-CG2 4.13Å; F52-V75 HydrophobicContact CG-CG1 4.08Å; F52-V75 HydrophobicContact CG-CG2 3.96Å; F52-V75 HydrophobicContact CZ-CG2 4.17Å; I58-V75 HydrophobicContact CD1-CG1 4.44Å; I61-V75 HydrophobicContact CG1-CG1 4.47Å; I61-V75 HydrophobicContact CG2-CG2 4.25Å; V75-Y77 HydrophobicContact CG1-CD2 4.16Å; V75-Y77 HydrophobicContact CG1-CE2 3.7Å
76V96Very high93.2Very high29 Ų2952 Ų5218%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-109.4118.2179.4-171.40000107.8V33 R59 Q60V33-V76 HydrophobicContact CG1-CG2 4.24Å; V33-V76 HydrophobicContact CG2-CG1 4.2Å; V33-V76 HydrophobicContact CG2-CG2 4.12Å; R59-V76 WeakPolarHBondContact CA-O 3.39Å; R59-V76 HydrophobicContact CB-CB 4.08Å; R59-V76 HydrophobicContact CB-CG1 3.82Å; R59-V76 WeakPolarHBondContact CB-O 3.45Å; R59-V76 HydrophobicContact CG-CG1 4.02Å; R59-V76 PolarHBondContact N-O 2.81Å; Q60-V76 HydrophobicContact CB-CB 4.29Å; Q60-V76 HydrophobicContact CB-CG2 4.3Å; Q60-V76 PolarHBondContact N-O 3.24Å; Q60-V76 PolarHBondContact O-N 3.45Å
77Y97.3Very high93.4Very high1 Ų149.8 Ų49.80%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-88.9155.2170.6-71.9-90.8000111.1R32 L34 F52 I58 V75 D79 D82 A83 A86R32-Y77 PolarHBondContact O-N 2.73Å; L34-Y77 HydrophobicContact CD1-CD2 4.38Å; L34-Y77 HydrophobicContact CD1-CE2 3.75Å; L34-Y77 HydrophobicContact CG-CE2 4.32Å; F52-Y77 WeakPolarHBondContact CB-OH 3.19Å; F52-Y77 PolarHBondContact O-OH 3.41Å; I58-Y77 HydrophobicContact CG1-CD1 4.41Å; I58-Y77 HydrophobicContact CG1-CE1 4.15Å; V75-Y77 HydrophobicContact CG1-CD2 4.16Å; V75-Y77 HydrophobicContact CG1-CE2 3.7Å; Y77-D79 VanDerWaalsContact CB-O 3.29Å; Y77-D79 WeakPolarHBondContact CB-O 3.42Å; Y77-D82 HydrophobicContact CD1-CB 3.82Å; Y77-D82 HydrophobicContact CE1-CB 4.43Å; Y77-D82 HydrophobicContact CG-CB 4.26Å; Y77-A83 HydrophobicContact CD2-CB 3.65Å; Y77-A83 HydrophobicContact CE2-CB 4.42Å; Y77-A83 HydrophobicContact CG-CB 4.1Å; Y77-A86 HydrophobicContact CE2-CB 3.81Å; Y77-A86 WeakPolarHBondContact OH-CB 3.46Å
78E95.9Very high93.7Very high94 Ų9449.4 Ų49.444%0.43925%0.245SC..SBendtrans-66.6-45.6169.1-67.1-67.8173.600110.7R32 A57 R59R32-E78 WeakPolarHBondContact CD-O 3.17Å; A57-E78 HydrophobicContact CB-CB 4.24Å; A57-E78 HydrophobicContact CB-CG 3.9Å; A57-E78 PolarHBondContact O-N 3.49Å; R59-E78 HydrophobicContact CB-CG 4.35Å; R59-E78 WeakPolarHBondContact CD-OE1 3.38Å; R59-E78 VanDerWaalsContact CD-OE2 3.31Å; R59-E78 WeakPolarHBondContact CD-OE2 3.48Å
79D93.6Very high94.2Very high68 Ų6848.1 Ų48.136%0.36424%0.235SC..SBendtrans-103.4145.8-178.8-160.4-66.5000112.5Y77 F81 D82 A83Y77-D79 VanDerWaalsContact CB-O 3.29Å; Y77-D79 WeakPolarHBondContact CB-O 3.42Å; D79-F81 WeakPolarHBondContact OD1-CB 3.17Å; D79-F81 WeakPolarHBondContact OD1-CD2 3.4Å; D79-F81 PolarHBondContact OD1-N 3.03Å; D79-D82 HydrophobicContact CB-CB 4.2Å; D79-A83 PolarHBondContact O-N 3.18Å
80I93.1Very high94.4Very high55 Ų5546.2 Ų46.228%0.28222%0.223SC..Hα-helixtrans-77.4-31.5179.1-168.5169.6000112.7L26 V30 R32 A83 K84L26-I80 HydrophobicContact CD1-CB 4.24Å; L26-I80 HydrophobicContact CD1-CD1 3.8Å; L26-I80 HydrophobicContact CD1-CG1 3.73Å; L26-I80 HydrophobicContact CD1-CG2 3.59Å; V30-I80 HydrophobicContact CG1-CD1 4.09Å; V30-I80 HydrophobicContact CG1-CG1 3.75Å; R32-I80 HydrophobicContact CG-CB 3.7Å; R32-I80 HydrophobicContact CG-CG1 4.18Å; I80-A83 PolarHBondContact O-N 3.11Å; I80-K84 PolarHBondContact O-N 3.11Å
81F94.2Very high94.5Very high102 Ų10242.2 Ų42.245%0.44722%0.217SC..Hα-helixtrans-69.4-36.7176-62-73.2000110.9V24 L26 D79 K84 N85V24-F81 HydrophobicContact CB-CE1 4.34Å; V24-F81 HydrophobicContact CG1-CE1 4.23Å; L26-F81 HydrophobicContact CD1-CD1 3.91Å; L26-F81 HydrophobicContact CD1-CE1 3.67Å; L26-F81 HydrophobicContact CD1-CZ 4.15Å; L26-F81 HydrophobicContact CD2-CD1 4Å; L26-F81 HydrophobicContact CD2-CE1 3.8Å; L26-F81 HydrophobicContact CG-CD1 4.28Å; L26-F81 HydrophobicContact CG-CE1 3.77Å; L26-F81 HydrophobicContact CG-CZ 4.43Å; D79-F81 WeakPolarHBondContact OD1-CB 3.17Å; D79-F81 WeakPolarHBondContact OD1-CD2 3.4Å; D79-F81 PolarHBondContact OD1-N 3.03Å; F81-K84 WeakPolarHBondContact O-CB 3.3Å; F81-K84 PolarHBondContact O-N 3.21Å; F81-N85 WeakPolarHBondContact O-CB 3.33Å; F81-N85 PolarHBondContact O-N 3.23Å
82D95.9Very high94.5Very high46 Ų4643.8 Ų43.825%0.24623%0.233CC..Hα-helixtrans-63-46.1173.7-66-5.3000111Y55 G56 Y77 D79 K84 N85 A86Y55-D82 WeakPolarHBondContact O-CB 3.09Å; G56-D82 VanDerWaalsContact CA-OD2 3.26Å; G56-D82 WeakPolarHBondContact CA-OD2 3.14Å; Y77-D82 HydrophobicContact CD1-CB 3.82Å; Y77-D82 HydrophobicContact CE1-CB 4.43Å; Y77-D82 HydrophobicContact CG-CB 4.26Å; D79-D82 HydrophobicContact CB-CB 4.2Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact O-N 3.24Å; D82-N85 PolarHBondContact O-N 2.96Å; D82-A86 WeakPolarHBondContact O-CB 3.15Å; D82-A86 PolarHBondContact O-N 3.23Å
83A95.4Very high94.4Very high0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-60.8-40.5174.900000112.1N31 L34 Y77 D79 I80 C87N31-A83 WeakPolarHBondContact O-CB 3.32Å; L34-A83 HydrophobicContact CD2-CB 4.29Å; L34-A83 HydrophobicContact CG-CB 4.36Å; Y77-A83 HydrophobicContact CD2-CB 3.65Å; Y77-A83 HydrophobicContact CE2-CB 4.42Å; Y77-A83 HydrophobicContact CG-CB 4.1Å; D79-A83 PolarHBondContact O-N 3.18Å; I80-A83 PolarHBondContact O-N 3.11Å; A83-C87 WeakPolarHBondContact O-CB 3.45Å; A83-C87 PolarHBondContact O-N 2.72Å
84K94.4Very high94.2Very high65 Ų6550.5 Ų50.528%0.28326%0.264SS..Hα-helixtrans-61.5-50.3175.1-173.4-163.5-178.5-67.40111.1L26 V30 I80 F81 D82 A86 C87 D88 Y104L26-K84 HydrophobicContact CD2-CD 3.7Å; V30-K84 HydrophobicContact CG1-CB 4.04Å; V30-K84 HydrophobicContact CG1-CG 4.42Å; I80-K84 PolarHBondContact O-N 3.11Å; F81-K84 WeakPolarHBondContact O-CB 3.3Å; F81-K84 PolarHBondContact O-N 3.21Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact O-N 3.24Å; K84-A86 VanDerWaalsContact C-N 3.3Å; K84-A86 PolarHBondContact O-N 3.49Å; K84-C87 WeakPolarHBondContact O-CB 3.3Å; K84-C87 PolarHBondContact O-N 2.58Å; K84-C87 VanDerWaalsContact O-N 3.12Å; K84-D88 IonicContact NZ-OD2 3.91Å; K84-D88 PolarHBondContact NZ-OD2 2.81Å; K84-D88 VanDerWaalsContact O-CG 3.32Å; K84-D88 PolarHBondContact O-N 2.69Å; K84-Y104 VanDerWaalsContact CA-OH 3.31Å; K84-Y104 WeakPolarHBondContact CA-OH 2.93Å; K84-Y104 VanDerWaalsContact CG-OH 3.27Å; K84-Y104 WeakPolarHBondContact CG-OH 3.47Å
85N95.2Very high94Very high66 Ų6648 Ų4835%0.35325%0.254SS..Hα-helixtrans-59-44.1-179.6-167.326.2000111.2Y55 F81 D82 D88 H89Y55-N85 HydrophobicContact CD1-CB 4.41Å; F81-N85 WeakPolarHBondContact O-CB 3.33Å; F81-N85 PolarHBondContact O-N 3.23Å; D82-N85 PolarHBondContact O-N 2.96Å; N85-D88 PolarHBondContact O-N 2.85Å; N85-H89 PolarHBondContact O-N 3.31Å; N85-H89 PolarHBondContact O-ND1 2.99Å; N85-H89 PolarHBondContact OD1-CE1 3.48Å; N85-H89 PolarHBondContact OD1-ND1 3.15Å
86A96.2Very high93.6Very high0 Ų052.3 Ų52.30%028%0.283CS..Hα-helixtrans-61.7-43.4174.400000112.6L34 Y55 Y77 D82 K84 D88 H89 L90L34-A86 HydrophobicContact CD1-CB 3.88Å; Y55-A86 HydrophobicContact CD1-CB 4.28Å; Y55-A86 HydrophobicContact CD2-CB 3.91Å; Y55-A86 HydrophobicContact CG-CB 3.69Å; Y77-A86 HydrophobicContact CE2-CB 3.81Å; Y77-A86 WeakPolarHBondContact OH-CB 3.46Å; D82-A86 WeakPolarHBondContact O-CB 3.15Å; D82-A86 PolarHBondContact O-N 3.23Å; K84-A86 VanDerWaalsContact C-N 3.3Å; K84-A86 PolarHBondContact O-N 3.49Å; A86-D88 PolarHBondContact O-N 3.18Å; A86-H89 PolarHBondContact O-N 3.13Å; A86-L90 HydrophobicContact CB-CD1 4.29Å; A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 WeakPolarHBondContact O-CG 3.25Å; A86-L90 PolarHBondContact O-N 3.43Å
87C94.7Very high93.4Very high9 Ų958 Ų586%0.06131%0.313CS..Hα-helixtrans-62.1-43.8179.2-169.50000112L34 A83 K84 H89 S91 V102 Y104L34-C87 HydrophobicContact CD1-CB 4.35Å; L34-C87 HydrophobicContact CD2-CB 4.01Å; A83-C87 WeakPolarHBondContact O-CB 3.45Å; A83-C87 PolarHBondContact O-N 2.72Å; K84-C87 WeakPolarHBondContact O-CB 3.3Å; K84-C87 PolarHBondContact O-N 2.58Å; K84-C87 VanDerWaalsContact O-N 3.12Å; C87-H89 VanDerWaalsContact C-N 3.35Å; C87-H89 PolarHBondContact O-N 3.39Å; C87-S91 WeakPolarHBondContact O-CB 3.15Å; C87-S91 PolarHBondContact O-N 2.69Å; C87-S91 PolarHBondContact O-OG 3.39Å; C87-V102 HydrophobicContact CB-CG1 4.27Å; C87-Y104 HydrophobicContact CB-CE1 3.76Å; C87-Y104 HydrophobicContact CB-CE2 4.37Å
88D93.5Very high93Very high87 Ų8762 Ų6247%0.46533%0.328SS..Hα-helixtrans-67-35.7-177.3-65.7-17.9000111.9K84 N85 A86K84-D88 IonicContact NZ-OD2 3.91Å; K84-D88 PolarHBondContact NZ-OD2 2.81Å; K84-D88 VanDerWaalsContact O-CG 3.32Å; K84-D88 PolarHBondContact O-N 2.69Å; N85-D88 PolarHBondContact O-N 2.85Å; A86-D88 PolarHBondContact O-N 3.18Å
89H93.9Very high92.9Very high112 Ų11264.5 Ų64.552%0.51933%0.334SS..Hα-helixtrans-97.4-28.7-175-65.391000114.8Y55 N85 A86 C87Y55-H89 HydrophobicContact CE1-CB 3.52Å; Y55-H89 AromaticContact CE1-CG 3.94Å; Y55-H89 VanDerWaalsContact OH-CB 3.31Å; Y55-H89 WeakPolarHBondContact OH-CB 3.16Å; N85-H89 PolarHBondContact O-N 3.31Å; N85-H89 PolarHBondContact O-ND1 2.99Å; N85-H89 PolarHBondContact OD1-CE1 3.48Å; N85-H89 PolarHBondContact OD1-ND1 3.15Å; A86-H89 PolarHBondContact O-N 3.13Å; C87-H89 VanDerWaalsContact C-N 3.35Å; C87-H89 PolarHBondContact O-N 3.39Å
90L93.9Very high93Very high2 Ų261.4 Ų61.41%0.0132%0.318CS..Hα-helixtrans-89.8-9.9-179.2-67.2175.2000113.6I51 F52 Y55 A86 G92 F93 V102I51-L90 HydrophobicContact CG2-CD1 4.11Å; I51-L90 HydrophobicContact CG2-CD2 3.74Å; F52-L90 HydrophobicContact CD1-CD1 3.36Å; F52-L90 HydrophobicContact CE1-CD1 3.41Å; F52-L90 VanDerWaalsContact CE1-CD1 3.41Å; F52-L90 HydrophobicContact CG-CD1 4.09Å; F52-L90 HydrophobicContact CZ-CD1 4.16Å; Y55-L90 HydrophobicContact CD2-CD1 3.87Å; Y55-L90 HydrophobicContact CD2-CG 4.23Å; Y55-L90 HydrophobicContact CE2-CD1 3.49Å; Y55-L90 VanDerWaalsContact CE2-CD1 3.49Å; Y55-L90 HydrophobicContact CE2-CD2 3.63Å; Y55-L90 HydrophobicContact CE2-CG 3.41Å; Y55-L90 VanDerWaalsContact CE2-CG 3.41Å; Y55-L90 WeakPolarHBondContact OH-CD2 3.43Å; A86-L90 HydrophobicContact CB-CD1 4.29Å; A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 WeakPolarHBondContact O-CG 3.25Å; A86-L90 PolarHBondContact O-N 3.43Å; L90-G92 PolarHBondContact O-N 3.09Å; L90-G92 VanDerWaalsContact O-N 3.15Å; L90-F93 HydrophobicContact CB-CB 4.46Å; L90-F93 HydrophobicContact CD2-CB 4.03Å; L90-F93 HydrophobicContact CD2-CD1 4.15Å; L90-F93 HydrophobicContact CD2-CD2 4.21Å; L90-F93 HydrophobicContact CD2-CG 3.87Å; L90-F93 VanDerWaalsContact O-CB 3.25Å; L90-F93 WeakPolarHBondContact O-CB 3.47Å; L90-F93 PolarHBondContact O-N 3.42Å; L90-V102 HydrophobicContact CB-CG2 3.86Å; L90-V102 WeakPolarHBondContact O-CG2 3.39Å
91S90.8Very high93Very high60 Ų6061.9 Ų61.942%0.4232%0.323SS..THydrogen-bonded Turntrans-62.8115171.4-70.40000110C87 V102C87-S91 WeakPolarHBondContact O-CB 3.15Å; C87-S91 PolarHBondContact O-N 2.69Å; C87-S91 PolarHBondContact O-OG 3.39Å; S91-V102 PolarHBondContact OG-O 3Å
92G91Very high93Very high42 Ų4257.2 Ų57.243%0.43330%0.303SS..THydrogen-bonded Turntrans82.512.4-174.500000114.3L90 N94 Y99 L100L90-G92 PolarHBondContact O-N 3.09Å; L90-G92 VanDerWaalsContact O-N 3.15Å; G92-N94 PolarHBondContact O-N 2.81Å; G92-Y99 WeakPolarHBondContact O-CD1 3.39Å; G92-L100 WeakPolarHBondContact CA-O 3.39Å; G92-L100 PolarHBondContact N-O 2.98Å
93F91.7Very high92.9Very high84 Ų8458.9 Ų58.937%0.36831%0.311SS..  trans-65.4132.4175-172-109.5000111I51 L90 V95 Y99 L100I51-F93 HydrophobicContact CD1-CE1 4.36Å; I51-F93 HydrophobicContact CG1-CE1 4.28Å; I51-F93 HydrophobicContact CG2-CD1 4.18Å; I51-F93 HydrophobicContact CG2-CE1 4.12Å; L90-F93 HydrophobicContact CB-CB 4.46Å; L90-F93 HydrophobicContact CD2-CB 4.03Å; L90-F93 HydrophobicContact CD2-CD1 4.15Å; L90-F93 HydrophobicContact CD2-CD2 4.21Å; L90-F93 HydrophobicContact CD2-CG 3.87Å; L90-F93 VanDerWaalsContact O-CB 3.25Å; L90-F93 WeakPolarHBondContact O-CB 3.47Å; L90-F93 PolarHBondContact O-N 3.42Å; F93-V95 HydrophobicContact CD1-CG2 3.45Å; F93-V95 VanDerWaalsContact CD1-CG2 3.45Å; F93-V95 HydrophobicContact CE1-CG2 3.66Å; F93-Y99 CarbonylContact O-C 3.6Å; F93-Y99 WeakPolarHBondContact O-CA 3.49Å; F93-L100 HydrophobicContact CB-CD1 4.45Å; F93-L100 HydrophobicContact CD1-CD1 4.25Å; F93-L100 WeakPolarHBondContact O-CG 3.33Å; F93-L100 PolarHBondContact O-N 2.98Å
94N91.3Very high92.8Very high72 Ų7260.6 Ų60.639%0.38532%0.318SS..EExtended strand (participates in β ladder)trans-87.2119.6-179-176.810.2000110.9G92 N97 R98 Y99G92-N94 PolarHBondContact O-N 2.81Å; N94-N97 WeakPolarHBondContact OD1-CA 3.37Å; N94-N97 PolarHBondContact OD1-N 3.16Å; N94-N97 VanDerWaalsContact OD1-N 3.15Å; N94-R98 WeakPolarHBondContact CA-O 3.42Å; N94-R98 PolarHBondContact OD1-N 2.72Å; N94-Y99 HydrophobicContact CB-CD1 4.19Å; N94-Y99 HydrophobicContact CB-CE1 4.02Å
95V89.2Confident92.6Very high14 Ų1460.8 Ų60.89%0.08532%0.317CS..EExtended strand (participates in β ladder)trans-127.4118.8172.9-169.80000108.7P40 I43 I51 F93 N97 R98 L100P40-V95 HydrophobicContact CG-CB 4.13Å; P40-V95 HydrophobicContact CG-CG1 3.84Å; I43-V95 HydrophobicContact CD1-CG1 4.22Å; I51-V95 HydrophobicContact CD1-CG1 4.3Å; I51-V95 HydrophobicContact CD1-CG2 3.92Å; F93-V95 HydrophobicContact CD1-CG2 3.45Å; F93-V95 VanDerWaalsContact CD1-CG2 3.45Å; F93-V95 HydrophobicContact CE1-CG2 3.66Å; V95-N97 VanDerWaalsContact C-N 3.31Å; V95-N97 PolarHBondContact O-N 2.83Å; V95-R98 PolarHBondContact N-O 2.91Å; V95-R98 WeakPolarHBondContact O-CB 3.27Å; V95-R98 PolarHBondContact O-N 3.37Å; V95-L100 HydrophobicContact CB-CD2 4.45Å; V95-L100 HydrophobicContact CG2-CD1 3.8Å; V95-L100 HydrophobicContact CG2-CD2 4.19Å; V95-L100 HydrophobicContact CG2-CG 3.92Å
96C89.3Confident91.9Very high90 Ų9061.6 Ų61.661%0.60832%0.319SS*.THydrogen-bonded Turntrans50.845.2-180-53.10000113.8P40 R98P40-C96 HydrophobicContact CB-CB 4.3Å; P40-C96 HydrophobicContact CG-CB 3.93Å; C96-R98 PolarHBondContact O-N 2.92Å
97N90.3Very high90.7Very high148 Ų14863.6 Ų63.679%0.79134%0.336SS*.THydrogen-bonded Turntrans62.726-176.4-56.8-29.5000114.2N94 V95N94-N97 WeakPolarHBondContact OD1-CA 3.37Å; N94-N97 PolarHBondContact OD1-N 3.16Å; N94-N97 VanDerWaalsContact OD1-N 3.15Å; V95-N97 VanDerWaalsContact C-N 3.31Å; V95-N97 PolarHBondContact O-N 2.83Å
98R90.5Very high89.3Confident85 Ų8569.5 Ų69.532%0.32137%0.367SS..EExtended strand (participates in β ladder)trans-126.2130.8173.4-56-176.772.597.6-1.4109.5N38 N94 V95 C96N38-R98 PolarHBondContact O-NE 2.77Å; N38-R98 PolarHBondContact OD1-NE 3.37Å; N38-R98 PolarHBondContact OD1-NH2 3.05Å; N94-R98 WeakPolarHBondContact CA-O 3.42Å; N94-R98 PolarHBondContact OD1-N 2.72Å; V95-R98 PolarHBondContact N-O 2.91Å; V95-R98 WeakPolarHBondContact O-CB 3.27Å; V95-R98 PolarHBondContact O-N 3.37Å; C96-R98 PolarHBondContact O-N 2.92Å
99Y93.4Very high87.8Confident148 Ų14871.4 Ų71.458%0.5837%0.371SS*.EExtended strand (participates in β ladder)trans-87.4119.5178.3-62.2-86.5000110.2N38 G92 F93 N94N38-Y99 PolarHBondContact ND2-O 2.64Å; G92-Y99 WeakPolarHBondContact O-CD1 3.39Å; F93-Y99 CarbonylContact O-C 3.6Å; F93-Y99 WeakPolarHBondContact O-CA 3.49Å; N94-Y99 HydrophobicContact CB-CD1 4.19Å; N94-Y99 HydrophobicContact CB-CE1 4.02Å
100L94.2Very high86.1Confident2 Ų267.4 Ų67.41%0.0136%0.357CS..  trans-67.6141.5-179.7-59.7-171.1000111L39 F52 G92 F93 V95 V102L39-L100 HydrophobicContact CD2-CD1 4.28Å; L39-L100 HydrophobicContact CD2-CD2 3.6Å; L39-L100 HydrophobicContact CG-CD2 4.21Å; F52-L100 HydrophobicContact CZ-CD1 4.47Å; G92-L100 WeakPolarHBondContact CA-O 3.39Å; G92-L100 PolarHBondContact N-O 2.98Å; F93-L100 HydrophobicContact CB-CD1 4.45Å; F93-L100 HydrophobicContact CD1-CD1 4.25Å; F93-L100 WeakPolarHBondContact O-CG 3.33Å; F93-L100 PolarHBondContact O-N 2.98Å; V95-L100 HydrophobicContact CB-CD2 4.45Å; V95-L100 HydrophobicContact CG2-CD1 3.8Å; V95-L100 HydrophobicContact CG2-CD2 4.19Å; V95-L100 HydrophobicContact CG2-CG 3.92Å; L100-V102 HydrophobicContact CB-CG2 4.37Å
101V93.8Very high84.2Confident65 Ų6574.3 Ų74.339%0.39438%0.384SS..EExtended strand (participates in β ladder)trans-109.2114.6168.7175.80000107.1I36 K37 L103I36-V101 CarbonylContact C-O 3.46Å; I36-V101 WeakPolarHBondContact CA-O 3.37Å; K37-V101 HydrophobicContact CB-CB 4.14Å; K37-V101 HydrophobicContact CD-CG1 4.45Å; K37-V101 PolarHBondContact N-O 2.65Å; K37-V101 PolarHBondContact O-N 2.91Å; V101-L103 HydrophobicContact CG1-CD1 4.2Å; V101-L103 HydrophobicContact CG1-CD2 4.28Å; V101-L103 HydrophobicContact CG1-CG 4.02Å
102V95Very high82.5Confident5 Ų576.7 Ų76.73%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-110.4124.6-178.1-174.80000108.1L34 I36 C87 L90 S91 L100L34-V102 HydrophobicContact CB-CG1 4.25Å; L34-V102 HydrophobicContact CD1-CG1 3.79Å; L34-V102 HydrophobicContact CG-CG1 4.44Å; I36-V102 HydrophobicContact CD1-CB 4.25Å; I36-V102 HydrophobicContact CD1-CG1 3.69Å; I36-V102 HydrophobicContact CD1-CG2 4.01Å; C87-V102 HydrophobicContact CB-CG1 4.27Å; L90-V102 HydrophobicContact CB-CG2 3.86Å; L90-V102 WeakPolarHBondContact O-CG2 3.39Å; S91-V102 PolarHBondContact OG-O 3Å; L100-V102 HydrophobicContact CB-CG2 4.37Å
103L93.1Very high81.1Confident81 Ų8180.1 Ų80.142%0.42439%0.391SS..EExtended strand (participates in β ladder)trans-131.4147.1-177.3-60.5172.7000109.1L34 Y35 K37 V101L34-L103 CarbonylContact C-O 3.54Å; L34-L103 WeakPolarHBondContact CA-O 3.34Å; Y35-L103 HydrophobicContact CD1-CD1 4.4Å; Y35-L103 PolarHBondContact N-O 3.13Å; Y35-L103 PolarHBondContact O-N 3.38Å; K37-L103 HydrophobicContact CD-CD1 4.36Å; V101-L103 HydrophobicContact CG1-CD1 4.2Å; V101-L103 HydrophobicContact CG1-CD2 4.28Å; V101-L103 HydrophobicContact CG1-CG 4.02Å
104Y93.3Very high79.4Confident36 Ų3681.9 Ų81.914%0.14140%0.402CS..EExtended strand (participates in β ladder)trans-63.9142.3166-62.4-66.2000110.8E29 V30 L34 K84 C87 Q106E29-Y104 HydrophobicContact CG-CD2 4.23Å; E29-Y104 WeakPolarHBondContact O-CB 3.19Å; V30-Y104 HydrophobicContact CB-CE1 4.29Å; V30-Y104 HydrophobicContact CG1-CD1 4.33Å; V30-Y104 HydrophobicContact CG1-CE1 3.76Å; V30-Y104 HydrophobicContact CG2-CE1 4.4Å; V30-Y104 HydrophobicContact CG2-CE2 4.07Å; L34-Y104 HydrophobicContact CD2-CD1 3.53Å; L34-Y104 HydrophobicContact CD2-CE1 3.79Å; L34-Y104 HydrophobicContact CD2-CG 4.49Å; K84-Y104 VanDerWaalsContact CA-OH 3.31Å; K84-Y104 WeakPolarHBondContact CA-OH 2.93Å; K84-Y104 VanDerWaalsContact CG-OH 3.27Å; K84-Y104 WeakPolarHBondContact CG-OH 3.47Å; C87-Y104 HydrophobicContact CB-CE1 3.76Å; C87-Y104 HydrophobicContact CB-CE2 4.37Å; Y104-Q106 PolarHBondContact O-N 3.16Å
105Y89.8Confident77.9Confident68 Ų6883 Ų8327%0.26741%0.408SS..  trans-65.5117.2173.6-179.2-106.3000110.7N31 V33 F74 A107 A110N31-Y105 PolarHBondContact ND2-O 3.45Å; V33-Y105 HydrophobicContact CB-CD1 4.47Å; V33-Y105 HydrophobicContact CB-CG 4.15Å; V33-Y105 HydrophobicContact CG1-CD2 4.37Å; V33-Y105 HydrophobicContact CG1-CG 3.98Å; V33-Y105 WeakPolarHBondContact O-CB 3.35Å; V33-Y105 PolarHBondContact O-N 3.05Å; F74-Y105 HydrophobicContact CD1-CD2 4.03Å; F74-Y105 HydrophobicContact CD1-CE2 4.43Å; F74-Y105 AromaticContact CE1-CD2 3.57Å; F74-Y105 HydrophobicContact CE1-CD2 3.57Å; F74-Y105 AromaticContact CE1-CE2 3.75Å; F74-Y105 HydrophobicContact CE1-CE2 3.75Å; F74-Y105 HydrophobicContact CZ-CE2 4.35Å; Y105-A107 HydrophobicContact CE1-CB 4.05Å; Y105-A110 HydrophobicContact CE2-CB 3.7Å; Y105-A110 WeakPolarHBondContact OH-CB 2.93Å
106Q81.1Confident76.6Confident84 Ų8486.5 Ų86.539%0.39343%0.43SS..  trans-104.6107.6172.7-65.7-175.7-23.300108.3Y104 N108 K109 A110Y104-Q106 PolarHBondContact O-N 3.16Å; Q106-N108 PolarHBondContact O-N 3.18Å; Q106-K109 HydrophobicContact CB-CB 4.18Å; Q106-K109 HydrophobicContact CB-CD 4.47Å; Q106-K109 HydrophobicContact CB-CG 4.26Å; Q106-K109 PolarHBondContact O-N 2.93Å; Q106-A110 PolarHBondContact O-N 3.11Å
107A71Confident75.5Confident42 Ų4288.3 Ų88.335%0.34743%0.429SS..Hα-helixtrans-52.6-44.1-179.700000111.4Y105 K109 A110 Y111Y105-A107 HydrophobicContact CE1-CB 4.05Å; A107-K109 VanDerWaalsContact C-N 3.29Å; A107-K109 PolarHBondContact O-N 3.35Å; A107-A110 WeakPolarHBondContact O-CB 3.27Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-Y111 HydrophobicContact CB-CE2 3.99Å; A107-Y111 WeakPolarHBondContact O-CD2 3.35Å; A107-Y111 PolarHBondContact O-N 3.43Å; A107-Y111 VanDerWaalsContact O-N 3.11Å
108N64.9Low74.3Confident133 Ų13389 Ų8971%0.71143%0.425SS*.Hα-helixtrans-55.9-38.6176.7-73.4-37.5000113.3Q106 L112Q106-N108 PolarHBondContact O-N 3.18Å; N108-L112 WeakPolarHBondContact O-CG 3.06Å; N108-L112 PolarHBondContact O-N 2.69Å
109K61.4Low73Confident127 Ų12787.3 Ų87.355%0.55243%0.427SS*.Hα-helixtrans-75.7-26.2177.7-74-170.7179.9154.20113.6Q106 A107Q106-K109 HydrophobicContact CB-CB 4.18Å; Q106-K109 HydrophobicContact CB-CD 4.47Å; Q106-K109 HydrophobicContact CB-CG 4.26Å; Q106-K109 PolarHBondContact O-N 2.93Å; A107-K109 VanDerWaalsContact C-N 3.29Å; A107-K109 PolarHBondContact O-N 3.35Å
110A59.6Low72.1Confident28 Ų2888.7 Ų88.723%0.23143%0.431CS..Hα-helixtrans-70.3-41.7174.400000111Y105 Q106 A107 L112 R113Y105-A110 HydrophobicContact CE2-CB 3.7Å; Y105-A110 WeakPolarHBondContact OH-CB 2.93Å; Q106-A110 PolarHBondContact O-N 3.11Å; A107-A110 WeakPolarHBondContact O-CB 3.27Å; A107-A110 PolarHBondContact O-N 3.28Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-L112 PolarHBondContact O-N 3.19Å; A110-R113 PolarHBondContact O-N 2.88Å
111Y53.5Low71.4Confident147 Ų14791.3 Ų91.358%0.57645%0.453SS*.Hα-helixtrans-64.8-36.4174.9-64.4-64.9000112.7A107 R113 M114 D115A107-Y111 HydrophobicContact CB-CE2 3.99Å; A107-Y111 WeakPolarHBondContact O-CD2 3.35Å; A107-Y111 PolarHBondContact O-N 3.43Å; A107-Y111 VanDerWaalsContact O-N 3.11Å; Y111-R113 PolarHBondContact O-N 2.86Å; Y111-M114 WeakPolarHBondContact O-CB 3.24Å; Y111-M114 PolarHBondContact O-N 2.82Å; Y111-M114 VanDerWaalsContact O-N 3.11Å; Y111-D115 PolarHBondContact O-N 2.89Å
112L55.8Low70.5Confident109 Ų10992 Ų9257%0.57145%0.451SS*.Hα-helixtrans-58.8-32.6177-75.2169.6000113N108 A110 T116N108-L112 WeakPolarHBondContact O-CG 3.06Å; N108-L112 PolarHBondContact O-N 2.69Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-L112 PolarHBondContact O-N 3.19Å; L112-T116 WeakPolarHBondContact O-CG2 3.41Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 3.28Å
113R61Low69.2Low114 Ų11496.1 Ų96.143%0.4347%0.473SS..Hα-helixtrans-71.6-41.2175.3-62.1-167.4-153.1165.811.5112.3Y35 A110 Y111 D115 T116 E117Y35-R113 PolarHBondContact OH-NH1 3.24Å; Y35-R113 PolarHBondContact OH-NH2 3.17Å; A110-R113 PolarHBondContact O-N 2.88Å; Y111-R113 PolarHBondContact O-N 2.86Å; R113-D115 VanDerWaalsContact C-N 3.27Å; R113-D115 PolarHBondContact O-N 3.49Å; R113-T116 WeakPolarHBondContact CA-OG1 3.42Å; R113-T116 PolarHBondContact O-N 3.3Å; R113-T116 VanDerWaalsContact O-N 3.16Å; R113-T116 PolarHBondContact O-OG1 2.84Å; R113-E117 PolarHBondContact O-N 3.45Å
114M56.9Low68.5Low122 Ų12298 Ų9860%0.60148%0.48SS*.Hα-helixtrans-62.1-39.2174-70.1-176.7157.100111.6Y111 E117 K118Y111-M114 WeakPolarHBondContact O-CB 3.24Å; Y111-M114 PolarHBondContact O-N 2.82Å; Y111-M114 VanDerWaalsContact O-N 3.11Å; M114-E117 PolarHBondContact O-N 2.84Å; M114-K118 PolarHBondContact O-N 3.44Å; M114-K118 VanDerWaalsContact O-N 3.13Å
115D59.5Low68Low94 Ų94103.3 Ų103.350%0.50350%0.499SS..Hα-helixtrans-64.2-44.1174-162.478.3000110.1Y111 R113 E117 K118 S119Y111-D115 PolarHBondContact O-N 2.89Å; R113-D115 VanDerWaalsContact C-N 3.27Å; R113-D115 PolarHBondContact O-N 3.49Å; D115-E117 VanDerWaalsContact C-N 3.27Å; D115-E117 PolarHBondContact O-N 3.46Å; D115-K118 PolarHBondContact O-N 3.43Å; D115-S119 WeakPolarHBondContact O-CA 3.41Å; D115-S119 WeakPolarHBondContact O-CB 3.41Å; D115-S119 PolarHBondContact O-N 3.31Å; D115-S119 PolarHBondContact O-OG 3.48Å; D115-S119 PolarHBondContact OD2-OG 2.96Å
116T62.2Low67.4Low89 Ų89102.3 Ų102.355%0.54650%0.501SS..Hα-helixtrans-59.2-34.8177.952.90000113.9L112 R113 R120L112-T116 WeakPolarHBondContact O-CG2 3.41Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 3.28Å; R113-T116 WeakPolarHBondContact CA-OG1 3.42Å; R113-T116 PolarHBondContact O-N 3.3Å; R113-T116 VanDerWaalsContact O-N 3.16Å; R113-T116 PolarHBondContact O-OG1 2.84Å; T116-R120 WeakPolarHBondContact O-CB 3.49Å; T116-R120 PolarHBondContact O-N 2.95Å
117E65.6Low67.2Low128 Ų128103.1 Ų103.160%0.59850%0.503SS*.Hα-helixtrans-75.6-46.6179.2-69.9175.597.200112.3R113 M114 D115 R120 A121R113-E117 PolarHBondContact O-N 3.45Å; M114-E117 PolarHBondContact O-N 2.84Å; D115-E117 VanDerWaalsContact C-N 3.27Å; D115-E117 PolarHBondContact O-N 3.46Å; E117-R120 PolarHBondContact O-N 2.82Å; E117-A121 PolarHBondContact O-N 3.1Å; E117-A121 VanDerWaalsContact O-N 3.11Å
118K64.8Low67.6Low162 Ų162109 Ų10970%0.70452%0.523SS*.Hα-helixtrans-66.4-41.8175.1-73.8-174.4177.9-177.80111.6M114 D115 R120 A121 E122M114-K118 PolarHBondContact O-N 3.44Å; M114-K118 VanDerWaalsContact O-N 3.13Å; D115-K118 PolarHBondContact O-N 3.43Å; K118-R120 VanDerWaalsContact C-N 3.29Å; K118-R120 PolarHBondContact O-N 3.04Å; K118-A121 PolarHBondContact O-N 3.4Å; K118-E122 VanDerWaalsContact O-CB 3.27Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 PolarHBondContact O-N 3.44Å
119S64Low68.4Low50 Ų50110.1 Ų110.135%0.3552%0.522SS..Hα-helixtrans-65.1-31.7174.8-65.60000111.3D115 L123D115-S119 WeakPolarHBondContact O-CA 3.41Å; D115-S119 WeakPolarHBondContact O-CB 3.41Å; D115-S119 PolarHBondContact O-N 3.31Å; D115-S119 PolarHBondContact O-OG 3.48Å; D115-S119 PolarHBondContact OD2-OG 2.96Å; S119-L123 WeakPolarHBondContact O-CB 3.37Å; S119-L123 PolarHBondContact O-N 3.29Å
120R74.3Confident69Low176 Ų176111.2 Ų111.266%0.66452%0.523SS*.Hα-helixtrans-66.3-48.9172-167177.894.2-171.94.2111.3T116 E117 K118 E122 L123 E124T116-R120 WeakPolarHBondContact O-CB 3.49Å; T116-R120 PolarHBondContact O-N 2.95Å; E117-R120 PolarHBondContact O-N 2.82Å; K118-R120 VanDerWaalsContact C-N 3.29Å; K118-R120 PolarHBondContact O-N 3.04Å; R120-E122 VanDerWaalsContact C-N 3.34Å; R120-E122 PolarHBondContact O-N 2.86Å; R120-L123 PolarHBondContact O-N 2.77Å; R120-E124 VanDerWaalsContact O-CB 3.29Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 PolarHBondContact O-N 2.84Å
121A78.3Confident69.2Low57 Ų57112.9 Ų112.947%0.47154%0.543SS..Hα-helixtrans-64.7-38.2178.100000112.4E117 K118 E124 R125E117-A121 PolarHBondContact O-N 3.1Å; E117-A121 VanDerWaalsContact O-N 3.11Å; K118-A121 PolarHBondContact O-N 3.4Å; A121-E124 PolarHBondContact O-N 2.96Å; A121-R125 WeakPolarHBondContact O-CB 3.27Å; A121-R125 PolarHBondContact O-N 3.03Å
122E75.6Confident69.6Low79 Ų79111.5 Ų111.537%0.36955%0.545SS..Hα-helixtrans-64.7-46.3173.6-174.162.5-141.700111.2K118 R120 E124 R125 V126K118-E122 VanDerWaalsContact O-CB 3.27Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 PolarHBondContact O-N 3.44Å; R120-E122 VanDerWaalsContact C-N 3.34Å; R120-E122 PolarHBondContact O-N 2.86Å; E122-E124 VanDerWaalsContact C-N 3.31Å; E122-E124 PolarHBondContact O-N 3.31Å; E122-R125 VanDerWaalsContact CD-CZ 3.44Å; E122-R125 PolarHBondContact O-N 2.91Å; E122-R125 IonicContact OE1-CZ 2.98Å; E122-R125 VanDerWaalsContact OE1-CZ 3.25Å; E122-R125 IonicContact OE1-NE 3.79Å; E122-R125 IonicContact OE1-NH1 2.69Å; E122-R125 IonicContact OE1-NH2 2.72Å; E122-R125 PolarHBondContact OE1-NH2 2.88Å; E122-R125 IonicContact OE2-CZ 2.64Å; E122-R125 IonicContact OE2-NH1 2.58Å; E122-R125 PolarHBondContact OE2-NH1 3.34Å; E122-R125 IonicContact OE2-NH2 3.25Å; E122-R125 PolarHBondContact OE2-NH2 3.25Å; E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 VanDerWaalsContact O-CG2 3.24Å; E122-V126 WeakPolarHBondContact O-CG2 3.31Å; E122-V126 PolarHBondContact O-N 3.32Å
123L67.1Low69.3Low93 Ų93109.7 Ų109.749%0.48755%0.553SS.*Hα-helixtrans-61.9-40.1176.8-178.866.9000111.4S119 R120 V126 K127S119-L123 WeakPolarHBondContact O-CB 3.37Å; S119-L123 PolarHBondContact O-N 3.29Å; R120-L123 PolarHBondContact O-N 2.77Å; L123-V126 PolarHBondContact O-N 3.27Å; L123-K127 HydrophobicContact CD1-CG 4.45Å; L123-K127 HydrophobicContact CG-CD 4.19Å; L123-K127 HydrophobicContact CG-CG 4.44Å; L123-K127 VanDerWaalsContact O-CB 3.27Å; L123-K127 WeakPolarHBondContact O-CB 3.44Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.4Å
124E78.5Confident68.7Low121 Ų121107.3 Ų107.357%0.56556%0.564SS**Hα-helixtrans-66.2-44.3177.7-158.5154.9-148.100110.6R120 A121 E122 V126 K127 E128R120-E124 VanDerWaalsContact O-CB 3.29Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 PolarHBondContact O-N 2.84Å; A121-E124 PolarHBondContact O-N 2.96Å; E122-E124 VanDerWaalsContact C-N 3.31Å; E122-E124 PolarHBondContact O-N 3.31Å; E124-V126 PolarHBondContact O-N 3.45Å; E124-K127 PolarHBondContact O-N 2.78Å; E124-E128 WeakPolarHBondContact O-CB 3.21Å; E124-E128 PolarHBondContact O-N 3.42Å
125R84.1Confident68.5Low146 Ų146109.8 Ų109.855%0.55157%0.574SS**Hα-helixtrans-62.1-40.6173-168.4-179.376.6-130.89.8112.8A121 E122 K129A121-R125 WeakPolarHBondContact O-CB 3.27Å; A121-R125 PolarHBondContact O-N 3.03Å; E122-R125 VanDerWaalsContact CD-CZ 3.44Å; E122-R125 PolarHBondContact O-N 2.91Å; E122-R125 IonicContact OE1-CZ 2.98Å; E122-R125 VanDerWaalsContact OE1-CZ 3.25Å; E122-R125 IonicContact OE1-NE 3.79Å; E122-R125 IonicContact OE1-NH1 2.69Å; E122-R125 IonicContact OE1-NH2 2.72Å; E122-R125 PolarHBondContact OE1-NH2 2.88Å; E122-R125 IonicContact OE2-CZ 2.64Å; E122-R125 IonicContact OE2-NH1 2.58Å; E122-R125 PolarHBondContact OE2-NH1 3.34Å; E122-R125 IonicContact OE2-NH2 3.25Å; E122-R125 PolarHBondContact OE2-NH2 3.25Å; R125-K129 WeakPolarHBondContact O-CB 3.48Å; R125-K129 PolarHBondContact O-N 3.15Å
126V76.2Confident68Low48 Ų48113 Ų11329%0.29159%0.589SS.*Hα-helixtrans-69.2-43.2177.1170.10000110.3E122 L123 E124 E128 K129 Y130E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 VanDerWaalsContact O-CG2 3.24Å; E122-V126 WeakPolarHBondContact O-CG2 3.31Å; E122-V126 PolarHBondContact O-N 3.32Å; L123-V126 PolarHBondContact O-N 3.27Å; E124-V126 PolarHBondContact O-N 3.45Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 2.94Å; V126-K129 PolarHBondContact O-N 3.31Å; V126-Y130 HydrophobicContact CG1-CD2 3.79Å; V126-Y130 HydrophobicContact CG1-CE2 4.21Å; V126-Y130 WeakPolarHBondContact O-CB 3.19Å; V126-Y130 VanDerWaalsContact O-CD2 3.31Å; V126-Y130 WeakPolarHBondContact O-CD2 3.21Å; V126-Y130 PolarHBondContact O-N 2.69Å
127K77Confident67Low101 Ų101117 Ų11744%0.43960%0.599SS.*Hα-helixtrans-59.4-41.5175.3-80.1177.2175-1730111.7L123 E124 G131 L132L123-K127 HydrophobicContact CD1-CG 4.45Å; L123-K127 HydrophobicContact CG-CD 4.19Å; L123-K127 HydrophobicContact CG-CG 4.44Å; L123-K127 VanDerWaalsContact O-CB 3.27Å; L123-K127 WeakPolarHBondContact O-CB 3.44Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.4Å; E124-K127 PolarHBondContact O-N 2.78Å; K127-G131 CarbonylContact O-C 3.54Å; K127-G131 WeakPolarHBondContact O-CA 3.44Å; K127-G131 PolarHBondContact O-N 3.16Å; K127-L132 HydrophobicContact CG-CB 4.39Å; K127-L132 PolarHBondContact O-N 3.3Å
128E80.3Confident65.9Low166 Ų166120.6 Ų120.678%0.77661%0.613SS**Hα-helixtrans-67.3-50.3175.6-170.2179.5125.800111.5E124 V126 Y130 G131E124-E128 WeakPolarHBondContact O-CB 3.21Å; E124-E128 PolarHBondContact O-N 3.42Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 2.94Å; E128-Y130 VanDerWaalsContact C-N 3.28Å; E128-Y130 PolarHBondContact O-N 3.35Å; E128-G131 PolarHBondContact O-N 3.27Å
129K80.6Confident65.2Low156 Ų156125.3 Ų125.368%0.67864%0.637SS**Hα-helixtrans-59.5-36.3-179.1-176177.5-179.4-1760113.3R125 V126R125-K129 WeakPolarHBondContact O-CB 3.48Å; R125-K129 PolarHBondContact O-N 3.15Å; V126-K129 PolarHBondContact O-N 3.31Å
130Y74.2Confident65.3Low150 Ų150129.1 Ų129.159%0.58865%0.652SS**THydrogen-bonded Turntrans-103.86.9-177.6-68.5-83.4000113.6V126 E128 L132V126-Y130 HydrophobicContact CG1-CD2 3.79Å; V126-Y130 HydrophobicContact CG1-CE2 4.21Å; V126-Y130 WeakPolarHBondContact O-CB 3.19Å; V126-Y130 VanDerWaalsContact O-CD2 3.31Å; V126-Y130 WeakPolarHBondContact O-CD2 3.21Å; V126-Y130 PolarHBondContact O-N 2.69Å; E128-Y130 VanDerWaalsContact C-N 3.28Å; E128-Y130 PolarHBondContact O-N 3.35Å; Y130-L132 PolarHBondContact O-N 2.9Å
131G64.8Low64.8Low63 Ų63126.6 Ų126.665%0.64965%0.651SS**THydrogen-bonded Turntrans60.327.117900000114.3K127 E128 G133K127-G131 CarbonylContact O-C 3.54Å; K127-G131 WeakPolarHBondContact O-CA 3.44Å; K127-G131 PolarHBondContact O-N 3.16Å; E128-G131 PolarHBondContact O-N 3.27Å; G131-G133 PolarHBondContact O-N 3.02Å; G131-G133 VanDerWaalsContact O-N 3.16Å
132L61.9Low64.1Low118 Ų118130.4 Ų130.462%0.61866%0.661SS**  trans-82.417.9-175.3-64.4169.3000113.3K127 Y130 G134K127-L132 HydrophobicContact CG-CB 4.39Å; K127-L132 PolarHBondContact O-N 3.3Å; Y130-L132 PolarHBondContact O-N 2.9Å; L132-G134 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 3.21Å
133G49.7Very low63.4Low71 Ų71133.5 Ų133.573%0.73268%0.678SS**  trans-90.255.2175.900000112.4G131G131-G133 PolarHBondContact O-N 3.02Å; G131-G133 VanDerWaalsContact O-N 3.16Å
134G46.5Very low63.2Low64 Ų64136 Ų13666%0.6669%0.69SS**  trans-95113.5172.900000110.4L132 I136L132-G134 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 3.21Å; G134-I136 PolarHBondContact O-N 3.17Å; G134-I136 VanDerWaalsContact O-N 3.17Å
135E53Low62.2Low174 Ų174137 Ų13781%0.81370%0.698SS**  trans-52.4117.8166.2-70.8170108.100109.2K137E135-K137 PolarHBondContact O-N 3.03Å
136I49.4Very low60.6Low161 Ų161136.4 Ų136.483%0.82671%0.709SS**  trans-68.191.5161.4-56.9171.8000105.2G134 K138G134-I136 PolarHBondContact O-N 3.17Å; G134-I136 VanDerWaalsContact O-N 3.17Å; I136-K138 PolarHBondContact O-N 2.86Å
137K42.5Very low59.4Low174 Ų174143.2 Ų143.276%0.75774%0.741SS**  trans-61.1106.6161.2-73.4-170.9177.5-1780106.3E135 E139E135-K137 PolarHBondContact O-N 3.03Å; K137-E139 PolarHBondContact O-N 3.2Å
138K41.3Very low57.9Low202 Ų202146.7 Ų146.788%0.87877%0.766SS**  trans-69.2102.8158.5-87-174.6171.6-175.70106.4I136I136-K138 PolarHBondContact O-N 2.86Å
139E51.1Low55.9Low261 Ų261144.9 Ų144.9100%1.2277%0.765SS**  trans-82.40149.6-70.6-174.1116.300109.3K137K137-E139 PolarHBondContact O-N 3.2Å

Retrieved 139 of 139 residues in 111.9 ms (Link to these results)

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