A0A3Q0KS50_SCHMA Loading...

DCD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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
1M40.3Very low46.6Very low252 Ų252146.2 Ų146.2100%1.24180%0.799SS**  0125.90-69.4-179.7173.300108.5
2S37.1Very low49.8Very low108 Ų108144.7 Ų144.776%0.75578%0.779SS**  trans-147.9105.3170.6-174.10000109.3
3K39.4Very low52.8Low208 Ų208139.1 Ų139.190%0.90475%0.748SS**  trans-102.266.7178.1-76.4-174.8174.5179.70110.1
4N42.1Very low55.3Low148 Ų148135.1 Ų135.179%0.79172%0.722SS**  trans-100.860.7167.3-85.7-10.1000110.6K6N4-K6 PolarHBondContact O-N 3.35Å
5A40.9Very low57.5Low96 Ų96127.5 Ų127.579%0.79368%0.68SS**  trans-70.298.2163.900000107.9K7A5-K7 PolarHBondContact O-N 2.78Å
6K40.5Very low59.7Low199 Ų199124.4 Ų124.487%0.86566%0.661SS**  trans-56108.4170.3-78.9-177174.8-179.40108N4 V8N4-K6 PolarHBondContact O-N 3.35Å; K6-V8 PolarHBondContact O-N 2.71Å
7K36.9Very low61.7Low195 Ų195117.4 Ų117.485%0.84862%0.623SS**  trans-66.497.6174.1-168.4177.2-176.4-176.20107.2A5 V9A5-K7 PolarHBondContact O-N 2.78Å; K7-V9 PolarHBondContact O-N 3.43Å
8V43Very low63.3Low133 Ų133115.3 Ų115.381%0.80662%0.615SS**  trans-61.6110.7173.7179.40000106.5K6 G10K6-V8 PolarHBondContact O-N 2.71Å; V8-G10 PolarHBondContact O-N 3.14Å
9V55.6Low64.8Low135 Ų135109.2 Ų109.282%0.81858%0.583SS**  trans-72.598.2171.8-178.70000105.8K7K7-V9 PolarHBondContact O-N 3.43Å
10G63.1Low66.1Low60 Ų60107.2 Ų107.262%0.61957%0.569SS**PPolyproline II helixtrans-66.9136.817400000109.9V8V8-G10 PolarHBondContact O-N 3.14Å
11E73.9Confident67.2Low74 Ų74102.6 Ų102.635%0.34654%0.544SS..PPolyproline II helixtrans-59.8140.5173.1-72.1-177.4-138.200110.5L13 Y59 T61 Y62 R79E11-L13 PolarHBondContact O-N 3.38Å; E11-Y59 HydrophobicContact CB-CD1 4.06Å; E11-T61 VanDerWaalsContact CD-OG1 3.22Å; E11-T61 PolarHBondContact OE1-OG1 2.81Å; E11-T61 PolarHBondContact OE2-N 2.8Å; E11-T61 PolarHBondContact OE2-OG1 3.48Å; E11-Y62 WeakPolarHBondContact OE2-CD1 3.38Å; E11-Y62 WeakPolarHBondContact OE2-CE1 3.3Å; E11-R79 IonicContact OE1-NH2 3.14Å
12K85.2Confident69.4Low128 Ų12891.3 Ų91.356%0.55749%0.489SS*.PPolyproline II helixtrans-72.9128.3179.8-173.6-178.9170.2-162.10109.8Q14 E60K12-Q14 PolarHBondContact O-N 2.83Å; K12-E60 WeakPolarHBondContact CB-OE1 3.33Å
13L88.6Confident71.8Confident72 Ų7286.3 Ų86.338%0.37746%0.455SS..EExtended strand (participates in β ladder)trans-70123.3169-176.770.5000108.9E11 E16 K57 Y59E11-L13 PolarHBondContact O-N 3.38Å; L13-E16 HydrophobicContact CD2-CB 4.42Å; L13-K57 HydrophobicContact CD1-CB 3.79Å; L13-K57 HydrophobicContact CD1-CG 4Å; L13-Y59 HydrophobicContact CB-CD1 4.46Å; L13-Y59 HydrophobicContact CB-CE1 4.15Å; L13-Y59 HydrophobicContact CD1-CD1 4.43Å; L13-Y59 HydrophobicContact CD1-CE1 4.01Å; L13-Y59 HydrophobicContact CD1-CE2 4.22Å
14Q87.4Confident74.1Confident84 Ų8476.9 Ų76.939%0.39342%0.415SS..EExtended strand (participates in β ladder)trans-102.8-31.7-178.2-59.9-68-1.700112.2K12 C58 E60 F129K12-Q14 PolarHBondContact O-N 2.83Å; Q14-C58 PolarHBondContact N-O 3.46Å; Q14-E60 HydrophobicContact CG-CG 4.16Å; Q14-E60 PolarHBondContact NE2-OE1 2.96Å; Q14-F129 HydrophobicContact CB-CD2 4.26Å; Q14-F129 HydrophobicContact CB-CE2 3.98Å; Q14-F129 HydrophobicContact CG-CE2 4.19Å
15F88.7Confident76.2Confident21 Ų2171.6 Ų71.69%0.09239%0.389CS..EExtended strand (participates in β ladder)trans-153.1145.1-178.7170.4-84.6000111.9D17 L56 C58 L117 K122 K125 L126F15-D17 HydrophobicContact CE1-CB 3.83Å; F15-D17 HydrophobicContact CZ-CB 3.82Å; F15-L56 HydrophobicContact CE1-CD2 3.94Å; F15-L56 HydrophobicContact CE1-CG 4.27Å; F15-C58 HydrophobicContact CB-CB 4.03Å; F15-C58 HydrophobicContact CD1-CB 4.41Å; F15-C58 PolarHBondContact N-O 3.3Å; F15-C58 PolarHBondContact O-N 3.38Å; F15-L117 HydrophobicContact CE1-CD2 4.32Å; F15-L117 HydrophobicContact CZ-CD2 3.83Å; F15-K122 HydrophobicContact CE2-CB 3.93Å; F15-K122 HydrophobicContact CE2-CD 4.32Å; F15-K122 HydrophobicContact CE2-CG 4.06Å; F15-K122 WeakPolarHBondContact CE2-O 3.44Å; F15-K122 HydrophobicContact CZ-CB 3.94Å; F15-K122 HydrophobicContact CZ-CD 4.28Å; F15-K122 HydrophobicContact CZ-CG 4.34Å; F15-K125 HydrophobicContact CD2-CB 4.02Å; F15-K125 HydrophobicContact CE2-CB 3.91Å; F15-L126 HydrophobicContact CD1-CD1 4.44Å; F15-L126 HydrophobicContact CE1-CB 4.31Å; F15-L126 HydrophobicContact CE1-CD1 4.4Å; F15-L126 HydrophobicContact CZ-CB 4.16Å
16E93.1Very high78.4Confident78 Ų7871.1 Ų71.136%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-140.4136.3174.6-178.2168.4-17300112.3L13 L56 K57 K122L13-E16 HydrophobicContact CD2-CB 4.42Å; E16-L56 VanDerWaalsContact CA-O 3.3Å; E16-L56 WeakPolarHBondContact CA-O 3.45Å; E16-K57 HydrophobicContact CB-CG 4.42Å; E16-K57 HydrophobicContact CG-CG 3.99Å; E16-K57 WeakPolarHBondContact OE1-CE 3.08Å; E16-K57 IonicContact OE1-NZ 2.69Å; E16-K57 PolarHBondContact OE1-NZ 3.01Å; E16-K57 WeakPolarHBondContact OE2-CE 3.36Å; E16-K122 PolarHBondContact O-NZ 3.44Å
17D93.3Very high80.3Confident4 Ų461.8 Ų61.82%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-147.4163.2171.3-158.418.8000113.7F15 V19 Q55 L56 L117 S118 K122F15-D17 HydrophobicContact CE1-CB 3.83Å; F15-D17 HydrophobicContact CZ-CB 3.82Å; D17-V19 HydrophobicContact CB-CG1 4.31Å; D17-Q55 CarbonylContact O-C 3.43Å; D17-Q55 WeakPolarHBondContact O-CA 3.3Å; D17-L56 PolarHBondContact N-O 2.87Å; D17-L56 PolarHBondContact O-N 3.07Å; D17-L117 HydrophobicContact CB-CD2 4.48Å; D17-L117 WeakPolarHBondContact OD2-CA 3.44Å; D17-L117 WeakPolarHBondContact OD2-CB 3.43Å; D17-S118 VanDerWaalsContact CG-OG 3.3Å; D17-S118 WeakPolarHBondContact OD1-CB 3.48Å; D17-S118 PolarHBondContact OD1-OG 3.39Å; D17-S118 PolarHBondContact OD2-N 3.25Å; D17-S118 PolarHBondContact OD2-OG 3.48Å; D17-K122 HydrophobicContact CB-CD 3.79Å; D17-K122 WeakPolarHBondContact OD1-CD 3.32Å; D17-K122 WeakPolarHBondContact OD1-CE 3.49Å; D17-K122 IonicContact OD1-NZ 3.01Å; D17-K122 PolarHBondContact OD1-NZ 2.9Å; D17-K122 WeakPolarHBondContact OD2-CD 3.3Å
18V91.2Very high82.1Confident80 Ų8059.7 Ų59.749%0.48532%0.323SS..EExtended strand (participates in β ladder)trans-96.2116.8162.2-179.40000107.6S54V18-S54 WeakPolarHBondContact CA-O 3.46Å
19V91.4Very high83Confident0 Ų055.1 Ų55.10%030%0.297CS..EExtended strand (participates in β ladder)trans-109.7145.1-178.8-58.20000110.6D17 F21 S53 S54 L56 F65 M115 V116 L117D17-V19 HydrophobicContact CB-CG1 4.31Å; V19-F21 HydrophobicContact CG2-CE2 4.11Å; V19-F21 HydrophobicContact CG2-CZ 3.97Å; V19-S53 VanDerWaalsContact O-CA 3.25Å; V19-S53 WeakPolarHBondContact O-CA 3.26Å; V19-S54 PolarHBondContact N-O 2.87Å; V19-S54 PolarHBondContact O-N 3.19Å; V19-L56 HydrophobicContact CG1-CB 3.8Å; V19-L56 HydrophobicContact CG1-CD2 3.89Å; V19-L56 HydrophobicContact CG2-CB 4.09Å; V19-F65 HydrophobicContact CG2-CD1 4.27Å; V19-F65 HydrophobicContact CG2-CE1 4.32Å; V19-M115 HydrophobicContact CB-CB 4.43Å; V19-V116 WeakPolarHBondContact CA-O 2.98Å; V19-L117 HydrophobicContact CG1-CD2 4.39Å; V19-L117 HydrophobicContact CG1-CG 4Å
20K90.2Very high83.4Confident69 Ų6956.2 Ų56.230%0.329%0.293SS..EExtended strand (participates in β ladder)trans-108.3128.6169.6-54-165.3-170.1-164.60109.1V46 E51 M115 V116K20-V46 HydrophobicContact CB-CG1 3.99Å; K20-V46 HydrophobicContact CB-CG2 4.2Å; K20-V46 HydrophobicContact CD-CG1 3.97Å; K20-E51 IonicContact NZ-OE1 3.96Å; K20-E51 PolarHBondContact NZ-OE1 3.18Å; K20-E51 IonicContact NZ-OE2 2.68Å; K20-E51 PolarHBondContact NZ-OE2 3.38Å; K20-M115 CarbonylContact O-C 3.53Å; K20-M115 WeakPolarHBondContact O-CA 3.07Å; K20-V116 PolarHBondContact N-O 2.93Å; K20-V116 PolarHBondContact O-N 3.01Å
21F88.7Confident83.6Confident10 Ų1055.5 Ų55.54%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-80.4135.4179.6-66.3-81.3000111.6V19 L52 F65 I69 V71 L76 G114 M115V19-F21 HydrophobicContact CG2-CE2 4.11Å; V19-F21 HydrophobicContact CG2-CZ 3.97Å; F21-L52 WeakPolarHBondContact CD2-O 3.07Å; F21-L52 PolarHBondContact N-O 3.39Å; F21-F65 HydrophobicContact CE1-CD1 4.32Å; F21-F65 HydrophobicContact CE1-CE1 4.12Å; F21-F65 HydrophobicContact CE2-CD1 4.48Å; F21-F65 AromaticContact CZ-CD1 3.54Å; F21-F65 HydrophobicContact CZ-CD1 3.54Å; F21-F65 AromaticContact CZ-CE1 3.79Å; F21-F65 HydrophobicContact CZ-CE1 3.79Å; F21-F65 HydrophobicContact CZ-CG 4.08Å; F21-I69 HydrophobicContact CD2-CD1 4.42Å; F21-I69 HydrophobicContact CE2-CD1 4.47Å; F21-V71 HydrophobicContact CB-CG1 4.48Å; F21-V71 HydrophobicContact CB-CG2 3.77Å; F21-V71 HydrophobicContact CD2-CG2 4.42Å; F21-V71 HydrophobicContact CG-CG2 4.12Å; F21-L76 HydrophobicContact CB-CD1 4.49Å; F21-L76 HydrophobicContact CD1-CD1 3.58Å; F21-L76 HydrophobicContact CD2-CD1 3.42Å; F21-L76 VanDerWaalsContact CD2-CD1 3.42Å; F21-L76 HydrophobicContact CE1-CD1 3.48Å; F21-L76 VanDerWaalsContact CE1-CD1 3.48Å; F21-L76 HydrophobicContact CE2-CD1 3.32Å; F21-L76 HydrophobicContact CG-CD1 3.55Å; F21-L76 HydrophobicContact CZ-CD1 3.34Å; F21-G114 WeakPolarHBondContact CA-O 3.14Å; F21-M115 HydrophobicContact CD1-CB 4.11Å; F21-M115 HydrophobicContact CE1-CB 4.29Å; F21-M115 HydrophobicContact CE1-CE 4.13Å
22T87.2Confident83.5Confident15 Ų1557.3 Ų57.39%0.09230%0.298CS..EExtended strand (participates in β ladder)trans-92.1-23.217457.90000112.1L41 T44 V46 G114 V116T22-L41 VanDerWaalsContact CB-O 3.25Å; T22-L41 WeakPolarHBondContact CB-O 3.39Å; T22-L41 PolarHBondContact OG1-O 3.47Å; T22-T44 WeakPolarHBondContact CG2-O 3.46Å; T22-T44 WeakPolarHBondContact O-CG2 3.38Å; T22-V46 HydrophobicContact CG2-CG2 3.77Å; T22-G114 PolarHBondContact N-O 2.79Å; T22-G114 WeakPolarHBondContact OG1-CA 3.41Å; T22-G114 PolarHBondContact OG1-O 2.84Å; T22-V116 HydrophobicContact CG2-CG2 3.7Å
23G87Confident83.1Confident3 Ų357.4 Ų57.43%0.03130%0.298CS..EExtended strand (participates in β ladder)trans165.8174.4179.800000112.3L41 V71 G114G23-L41 VanDerWaalsContact C-CD2 3.43Å; G23-V71 VanDerWaalsContact C-CG1 3.46Å; G23-V71 VanDerWaalsContact CA-CG1 3.44Å; G23-G114 PolarHBondContact O-N 2.71Å
24S87.8Confident82.5Confident11 Ų1154.3 Ų54.38%0.07728%0.282CS..EExtended strand (participates in β ladder)trans-137154.6168.262.40000110V71 T72 I74 L112S24-V71 PolarHBondContact OG-O 2.97Å; S24-T72 PolarHBondContact N-OG1 3.35Å; S24-T72 PolarHBondContact O-OG1 3.04Å; S24-T72 PolarHBondContact OG-OG1 2.95Å; S24-I74 WeakPolarHBondContact OG-CB 3.36Å; S24-I74 WeakPolarHBondContact OG-CD1 3.5Å; S24-L112 CarbonylContact C-O 3.47Å; S24-L112 VanDerWaalsContact CA-O 3.25Å; S24-L112 WeakPolarHBondContact CA-O 3.46Å
25S86.6Confident82.1Confident36 Ų3653.2 Ų53.225%0.25228%0.276SS..EExtended strand (participates in β ladder)trans-151.4152.9177.9-161.60000111.1T37 T111 L112S25-T37 VanDerWaalsContact CB-CG2 3.41Å; S25-T37 WeakPolarHBondContact OG-CG2 3.43Å; S25-T111 WeakPolarHBondContact O-CA 3.37Å; S25-L112 PolarHBondContact N-O 3.35Å; S25-L112 PolarHBondContact O-N 3.31Å
26I86.9Confident81.6Confident87 Ų8758.7 Ų58.745%0.44630%0.302SS..EExtended strand (participates in β ladder)trans-115.8123.8174.3-62.4171.5000107I74 D109 T111I26-I74 HydrophobicContact CD1-CD1 3.97Å; I26-I74 HydrophobicContact CD1-CG1 4.44Å; I26-I74 HydrophobicContact CG1-CD1 3.9Å; I26-D109 HydrophobicContact CG2-CB 3.4Å; I26-T111 HydrophobicContact CG1-CG2 4.4Å
27C80.3Confident81.1Confident2 Ų256 Ų561%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-134.3141.5-176.6-1740000111.1S29 V110 L112C27-S29 PolarHBondContact O-N 3.06Å; C27-V110 PolarHBondContact N-O 2.77Å; C27-V110 PolarHBondContact O-N 3.17Å; C27-L112 HydrophobicContact CB-CD1 3.94Å
28K75.5Confident80.6Confident152 Ų15255.8 Ų55.866%0.66129%0.289SS*.  trans-53.1139.3167.2-56.9-157.1166.6-168.60110H30 D109K28-H30 PolarHBondContact O-N 2.81Å; K28-D109 WeakPolarHBondContact CA-OD1 3.25Å; K28-D109 WeakPolarHBondContact CG-OD1 3.45Å
29S61.2Low80.1Confident36 Ų3653.7 Ų53.725%0.25228%0.281SS..SBendtrans-62.7-9.4-155.149.90000117.8C27C27-S29 PolarHBondContact O-N 3.06Å
30H64.7Low79.7Confident158 Ų15857.5 Ų57.573%0.73130%0.304SS*.SBendtrans-141.7151.6-169.7-50.9-58.9000114.5K28K28-H30 PolarHBondContact O-N 2.81Å
31G66.8Low79.4Confident45 Ų4554.8 Ų54.846%0.46429%0.293SS..SBendtrans100.1-169.716700000115.4K33 L34G31-K33 VanDerWaalsContact C-N 3.31Å; G31-K33 PolarHBondContact O-N 3.41Å; G31-L34 PolarHBondContact O-N 3.32Å
32D71.2Confident79Confident112 Ų11254.7 Ų54.760%0.59929%0.293SS*.Hα-helixtrans-69.4-26.3-170.9-62.6-41.2000113.9L34 K35 E36D32-L34 PolarHBondContact O-N 3.08Å; D32-K35 WeakPolarHBondContact O-CB 3.49Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 VanDerWaalsContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.39Å; D32-K35 IonicContact OD1-NZ 3.99Å; D32-K35 PolarHBondContact OD1-NZ 3Å; D32-E36 PolarHBondContact O-N 2.85Å
33K77.1Confident78.7Confident130 Ų13059 Ų5957%0.56532%0.315SS*.Hα-helixtrans-57-37.8175.2-173.5-179.1175.5-175.40112.3G31 E36 T37G31-K33 VanDerWaalsContact C-N 3.31Å; G31-K33 PolarHBondContact O-N 3.41Å; K33-E36 PolarHBondContact O-N 3.16Å; K33-T37 WeakPolarHBondContact O-CB 3.4Å; K33-T37 PolarHBondContact O-N 2.85Å; K33-T37 PolarHBondContact O-OG1 2.79Å
34L77.3Confident78.5Confident8 Ų861.6 Ų61.64%0.04233%0.33CS..Hα-helixtrans-66.9-38.8178.7176.5157.5000110.9G31 D32 A38 F89 L101 L112G31-L34 PolarHBondContact O-N 3.32Å; D32-L34 PolarHBondContact O-N 3.08Å; L34-A38 WeakPolarHBondContact O-CB 2.9Å; L34-A38 PolarHBondContact O-N 2.76Å; L34-F89 HydrophobicContact CD2-CE2 3.58Å; L34-F89 HydrophobicContact CD2-CZ 3.57Å; L34-L101 HydrophobicContact CD1-CD2 3.7Å; L34-L101 HydrophobicContact CD2-CD2 3.57Å; L34-L101 HydrophobicContact CG-CD2 3.69Å; L34-L112 HydrophobicContact CG-CD2 4.5Å
35K78.1Confident77.8Confident61 Ų6170.2 Ų70.227%0.26537%0.366SS..Hα-helixtrans-69.1-43.8175.5-52.6165.6-173.6171.10111.8D32 T37 A38 A39 F89 I153D32-K35 WeakPolarHBondContact O-CB 3.49Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 VanDerWaalsContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.39Å; D32-K35 IonicContact OD1-NZ 3.99Å; D32-K35 PolarHBondContact OD1-NZ 3Å; K35-T37 VanDerWaalsContact C-N 3.32Å; K35-T37 PolarHBondContact O-N 2.79Å; K35-A38 PolarHBondContact O-N 2.83Å; K35-A39 WeakPolarHBondContact O-CB 3.48Å; K35-A39 PolarHBondContact O-N 2.88Å; K35-F89 HydrophobicContact CB-CE1 4.31Å; K35-F89 HydrophobicContact CB-CZ 4.4Å; K35-F89 HydrophobicContact CG-CE1 4.27Å; K35-F89 HydrophobicContact CG-CZ 4.17Å; K35-I153 HydrophobicContact CD-CD1 3.42Å; K35-I153 VanDerWaalsContact CD-CD1 3.42Å; K35-I153 HydrophobicContact CD-CG2 4.44Å; K35-I153 HydrophobicContact CG-CD1 4.17Å
36E78.4Confident77Confident135 Ų13570.6 Ų70.663%0.63137%0.366SS*.Hα-helixtrans-62.2-40.1176.4-175.8175.9-15800111.3D32 K33 T40D32-E36 PolarHBondContact O-N 2.85Å; K33-E36 PolarHBondContact O-N 3.16Å; E36-T40 WeakPolarHBondContact O-CB 3.42Å; E36-T40 PolarHBondContact O-N 3.42Å; E36-T40 PolarHBondContact O-OG1 3.19Å
37T82.7Confident75.8Confident21 Ų2170.4 Ų70.413%0.12937%0.367CS..Hα-helixtrans-64.6-46.4174.5-55.30000111.1S25 K33 K35 T40 L41 L112S25-T37 VanDerWaalsContact CB-CG2 3.41Å; S25-T37 WeakPolarHBondContact OG-CG2 3.43Å; K33-T37 WeakPolarHBondContact O-CB 3.4Å; K33-T37 PolarHBondContact O-N 2.85Å; K33-T37 PolarHBondContact O-OG1 2.79Å; K35-T37 VanDerWaalsContact C-N 3.32Å; K35-T37 PolarHBondContact O-N 2.79Å; T37-T40 WeakPolarHBondContact O-CB 3.41Å; T37-T40 PolarHBondContact O-N 3.45Å; T37-L41 HydrophobicContact CG2-CD1 4.38Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.28Å; T37-L112 HydrophobicContact CG2-CD2 4.16Å
38A82.1Confident74.5Confident0 Ų074.9 Ų74.90%040%0.398CS..Hα-helixtrans-63.2-43.9176.600000112.5L34 K35 T40 L41 I42 F89 V99 L112L34-A38 WeakPolarHBondContact O-CB 2.9Å; L34-A38 PolarHBondContact O-N 2.76Å; K35-A38 PolarHBondContact O-N 2.83Å; A38-T40 VanDerWaalsContact C-N 3.32Å; A38-T40 PolarHBondContact O-N 2.91Å; A38-L41 PolarHBondContact O-N 2.96Å; A38-I42 WeakPolarHBondContact O-CG1 3.47Å; A38-I42 PolarHBondContact O-N 3.31Å; A38-F89 HydrophobicContact CB-CB 4.26Å; A38-F89 HydrophobicContact CB-CD1 3.94Å; A38-F89 HydrophobicContact CB-CD2 3.36Å; A38-F89 HydrophobicContact CB-CE1 4.08Å; A38-F89 HydrophobicContact CB-CE2 3.55Å; A38-F89 HydrophobicContact CB-CG 3.6Å; A38-F89 HydrophobicContact CB-CZ 3.94Å; A38-V99 HydrophobicContact CB-CB 4.43Å; A38-V99 HydrophobicContact CB-CG1 4.29Å; A38-V99 HydrophobicContact CB-CG2 4.4Å; A38-L112 HydrophobicContact CB-CD2 4.04Å
39A80.4Confident73.4Confident36 Ų3676.4 Ų76.430%0.29840%0.404SS..Hα-helixtrans-60.8-42175.100000111.6K35 L41 I42 L43K35-A39 WeakPolarHBondContact O-CB 3.48Å; K35-A39 PolarHBondContact O-N 2.88Å; A39-L41 PolarHBondContact O-N 3.49Å; A39-I42 PolarHBondContact O-N 3.15Å; A39-L43 WeakPolarHBondContact O-CB 3.16Å; A39-L43 VanDerWaalsContact O-CG 3.24Å; A39-L43 WeakPolarHBondContact O-CG 3.41Å; A39-L43 PolarHBondContact O-N 3.33Å
40T82.9Confident73.2Confident80 Ų8080.4 Ų80.449%0.49142%0.422SS..Hα-helixtrans-59.2-47.2173.8-56.80000110.8E36 T37 A38 I42 L43 T44E36-T40 WeakPolarHBondContact O-CB 3.42Å; E36-T40 PolarHBondContact O-N 3.42Å; E36-T40 PolarHBondContact O-OG1 3.19Å; T37-T40 WeakPolarHBondContact O-CB 3.41Å; T37-T40 PolarHBondContact O-N 3.45Å; A38-T40 VanDerWaalsContact C-N 3.32Å; A38-T40 PolarHBondContact O-N 2.91Å; T40-I42 VanDerWaalsContact C-N 3.34Å; T40-I42 PolarHBondContact O-N 3.19Å; T40-L43 PolarHBondContact O-N 2.88Å; T40-T44 PolarHBondContact O-N 3.2Å; T40-T44 PolarHBondContact O-OG1 2.87Å
41L84.4Confident73Confident12 Ų1277 Ų776%0.06341%0.407CS..Hα-helixtrans-62.5-34.9177.5-72.1172.6000113.6T22 G23 T37 A38 A39 V99 L112T22-L41 VanDerWaalsContact CB-O 3.25Å; T22-L41 WeakPolarHBondContact CB-O 3.39Å; T22-L41 PolarHBondContact OG1-O 3.47Å; G23-L41 VanDerWaalsContact C-CD2 3.43Å; T37-L41 HydrophobicContact CG2-CD1 4.38Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 2.96Å; A39-L41 PolarHBondContact O-N 3.49Å; L41-V99 HydrophobicContact CB-CG2 3.84Å; L41-V99 HydrophobicContact CD1-CG1 4.08Å; L41-L112 HydrophobicContact CD1-CB 3.74Å
42I81Confident73.4Confident9 Ų977.3 Ų77.35%0.04640%0.398CS..Hα-helixtrans-69.7-40.8174.9-70.9171000111.5A38 A39 T40 F89 H94 A97 V99 F321A38-I42 WeakPolarHBondContact O-CG1 3.47Å; A38-I42 PolarHBondContact O-N 3.31Å; A39-I42 PolarHBondContact O-N 3.15Å; T40-I42 VanDerWaalsContact C-N 3.34Å; T40-I42 PolarHBondContact O-N 3.19Å; I42-F89 HydrophobicContact CD1-CB 4.09Å; I42-H94 HydrophobicContact CG2-CB 3.92Å; I42-A97 HydrophobicContact CG2-CB 4.08Å; I42-V99 HydrophobicContact CD1-CG2 4.21Å; I42-V99 HydrophobicContact CG1-CG2 3.66Å; I42-F321 HydrophobicContact CD1-CD1 4.45Å; I42-F321 HydrophobicContact CD1-CE1 4.47Å; I42-F321 HydrophobicContact CG2-CE1 4.4Å
43L81.2Confident74Confident106 Ų10674.4 Ų74.456%0.55539%0.386SS*.Hα-helixtrans-80.6-18-177.2-66.8171.3000113.3A39 T40 K45 H94A39-L43 WeakPolarHBondContact O-CB 3.16Å; A39-L43 VanDerWaalsContact O-CG 3.24Å; A39-L43 WeakPolarHBondContact O-CG 3.41Å; A39-L43 PolarHBondContact O-N 3.33Å; T40-L43 PolarHBondContact O-N 2.88Å; L43-K45 PolarHBondContact O-N 3.03Å; L43-H94 WeakPolarHBondContact CD2-NE2 3.38Å
44T81.9Confident74.4Confident56 Ų5668.3 Ų68.334%0.34436%0.359SS..SBendtrans-63116.1175.7-66.40000110.4T22 T40 V46T22-T44 WeakPolarHBondContact CG2-O 3.46Å; T22-T44 WeakPolarHBondContact O-CG2 3.38Å; T40-T44 PolarHBondContact O-N 3.2Å; T40-T44 PolarHBondContact O-OG1 2.87Å; T44-V46 PolarHBondContact O-N 3.19Å
45K73Confident75.1Confident192 Ų19271.8 Ų71.884%0.83538%0.375SS*.  trans-65.2131.6173.6-65.9-176.8178-178.30109.6L43 D47L43-K45 PolarHBondContact O-N 3.03Å; K45-D47 PolarHBondContact O-N 2.86Å; K45-D47 VanDerWaalsContact O-N 3.15Å
46V69.2Low75.8Confident44 Ų4468.9 Ų68.927%0.26736%0.363SS..  trans-61.9114.1166.8-177.70000107.8K20 T22 T44 S48 V116K20-V46 HydrophobicContact CB-CG1 3.99Å; K20-V46 HydrophobicContact CB-CG2 4.2Å; K20-V46 HydrophobicContact CD-CG1 3.97Å; T22-V46 HydrophobicContact CG2-CG2 3.77Å; T44-V46 PolarHBondContact O-N 3.19Å; V46-S48 PolarHBondContact O-N 3.04Å; V46-V116 HydrophobicContact CG2-CB 4.32Å; V46-V116 HydrophobicContact CG2-CG2 4.01Å
47D61.7Low76.5Confident84 Ų8464.9 Ų64.945%0.44934%0.343SS..  trans-75.2119.5174.6-172.2-16.8000109.2K45 K49 L50K45-D47 PolarHBondContact O-N 2.86Å; K45-D47 VanDerWaalsContact O-N 3.15Å; D47-K49 PolarHBondContact O-N 3.04Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 WeakPolarHBondContact OD1-CB 3.25Å; D47-K49 PolarHBondContact OD1-N 3.22Å; D47-L50 CarbonylContact O-C 3.49Å; D47-L50 PolarHBondContact O-N 3.39Å
48S54.4Low76.8Confident95 Ų9563.9 Ų63.966%0.66434%0.337SS*.THydrogen-bonded Turntrans-64.2-10.4179.8570000114.1V46V46-S48 PolarHBondContact O-N 3.04Å
49K51.9Low77.2Confident184 Ų18466.1 Ų66.180%0.835%0.346SS*.THydrogen-bonded Turntrans-87.5-16.2173.6-63.5-179.2179.6178.80113.8D47D47-K49 PolarHBondContact O-N 3.04Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 WeakPolarHBondContact OD1-CB 3.25Å; D47-K49 PolarHBondContact OD1-N 3.22Å
50L57.7Low77.5Confident121 Ų12168.5 Ų68.563%0.63435%0.351SS*.SBendtrans-130.548.1-175.9-71.4165.2000109.1D47 L52D47-L50 CarbonylContact O-C 3.49Å; D47-L50 PolarHBondContact O-N 3.39Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 WeakPolarHBondContact O-CG 3.49Å; L50-L52 PolarHBondContact O-N 2.86Å
51E60Low77.5Confident86 Ų8666 Ų6640%0.40234%0.336SS..  trans-71.682.9-176.6-65-151.515000112.6K20 S53K20-E51 IonicContact NZ-OE1 3.96Å; K20-E51 PolarHBondContact NZ-OE1 3.18Å; K20-E51 IonicContact NZ-OE2 2.68Å; K20-E51 PolarHBondContact NZ-OE2 3.38Å; E51-S53 PolarHBondContact O-N 2.79Å
52L74.8Confident77.8Confident52 Ų5267.1 Ų67.127%0.27234%0.339SS..  trans-7390171.3-58-175.2000108.1F21 L50 I69 L70 V71F21-L52 WeakPolarHBondContact CD2-O 3.07Å; F21-L52 PolarHBondContact N-O 3.39Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 WeakPolarHBondContact O-CG 3.49Å; L50-L52 PolarHBondContact O-N 2.86Å; L52-I69 HydrophobicContact CB-CD1 4.16Å; L52-I69 HydrophobicContact CB-CG2 3.75Å; L52-I69 HydrophobicContact CD1-CG2 3.97Å; L52-I69 HydrophobicContact CD2-CG2 3.53Å; L52-I69 HydrophobicContact CG-CG2 3.88Å; L52-L70 WeakPolarHBondContact CD1-O 3.29Å; L52-V71 HydrophobicContact CB-CG2 4.36Å; L52-V71 HydrophobicContact CD1-CB 4.25Å; L52-V71 HydrophobicContact CD1-CG2 3.66Å
53S83.5Confident78.2Confident50 Ų5066.7 Ų66.735%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-114.6129.5-176.858.60000112.9V19 E51 I69V19-S53 VanDerWaalsContact O-CA 3.25Å; V19-S53 WeakPolarHBondContact O-CA 3.26Å; E51-S53 PolarHBondContact O-N 2.79Å; S53-I69 WeakPolarHBondContact O-CD1 3.26Å
54S86.8Confident78.7Confident2 Ų262.5 Ų62.51%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-125.3152.8176.5-610000111V18 V19 L56 P67 I69V18-S54 WeakPolarHBondContact CA-O 3.46Å; V19-S54 PolarHBondContact N-O 2.87Å; V19-S54 PolarHBondContact O-N 3.19Å; S54-L56 PolarHBondContact O-N 3.42Å; S54-P67 PolarHBondContact OG-O 2.88Å; S54-I69 WeakPolarHBondContact OG-CD1 3.31Å; S54-I69 WeakPolarHBondContact OG-CG1 3.41Å
55Q91.1Very high79.1Confident81 Ų8160 Ų6038%0.37930%0.301SS..EExtended strand (participates in β ladder)trans-71.1117.9156.9-64.7-177.9-6.200108.8D17 F65 Y66D17-Q55 CarbonylContact O-C 3.43Å; D17-Q55 WeakPolarHBondContact O-CA 3.3Å; Q55-F65 CarbonylContact O-C 3.59Å; Q55-F65 WeakPolarHBondContact O-CA 3.4Å; Q55-Y66 PolarHBondContact N-O 2.95Å; Q55-Y66 PolarHBondContact O-N 2.91Å
56L93Very high79.7Confident0 Ų059.1 Ų59.10%029%0.294CS..EExtended strand (participates in β ladder)trans-87.2123.8165.3166.557.3000108.8F15 E16 D17 V19 S54 I63 S64 F65 M115 L126F15-L56 HydrophobicContact CE1-CD2 3.94Å; F15-L56 HydrophobicContact CE1-CG 4.27Å; E16-L56 VanDerWaalsContact CA-O 3.3Å; E16-L56 WeakPolarHBondContact CA-O 3.45Å; D17-L56 PolarHBondContact N-O 2.87Å; D17-L56 PolarHBondContact O-N 3.07Å; V19-L56 HydrophobicContact CG1-CB 3.8Å; V19-L56 HydrophobicContact CG1-CD2 3.89Å; V19-L56 HydrophobicContact CG2-CB 4.09Å; S54-L56 PolarHBondContact O-N 3.42Å; L56-I63 HydrophobicContact CD1-CB 4.09Å; L56-S64 CarbonylContact C-O 3.58Å; L56-S64 WeakPolarHBondContact CA-O 3.36Å; L56-F65 HydrophobicContact CB-CD1 4.19Å; L56-F65 HydrophobicContact CB-CE1 4.19Å; L56-F65 HydrophobicContact CD1-CD1 4.09Å; L56-F65 HydrophobicContact CD1-CE1 3.65Å; L56-F65 HydrophobicContact CD1-CZ 4.03Å; L56-F65 HydrophobicContact CD2-CE1 4.42Å; L56-F65 HydrophobicContact CG-CE1 4.29Å; L56-M115 HydrophobicContact CD2-SD 4.49Å; L56-L126 HydrophobicContact CD2-CD1 4.24Å; L56-L126 HydrophobicContact CD2-CD2 3.68Å
57K92.9Very high80.4Confident51 Ų5160 Ų6022%0.22230%0.301CS..EExtended strand (participates in β ladder)trans-124.7123.7173.4-74.8171.4174.9158.60110.5L13 E16 Y59 I63 S64L13-K57 HydrophobicContact CD1-CB 3.79Å; L13-K57 HydrophobicContact CD1-CG 4Å; E16-K57 HydrophobicContact CB-CG 4.42Å; E16-K57 HydrophobicContact CG-CG 3.99Å; E16-K57 WeakPolarHBondContact OE1-CE 3.08Å; E16-K57 IonicContact OE1-NZ 2.69Å; E16-K57 PolarHBondContact OE1-NZ 3.01Å; E16-K57 WeakPolarHBondContact OE2-CE 3.36Å; K57-Y59 HydrophobicContact CB-CE2 3.72Å; K57-I63 CarbonylContact O-C 3.56Å; K57-S64 PolarHBondContact N-O 3.08Å; K57-S64 PolarHBondContact O-N 3.38Å; K57-S64 PolarHBondContact O-OG 2.89Å
58C90Very high81.1Confident0 Ų060 Ų600%030%0.298CS..EExtended strand (participates in β ladder)trans-106.9126.5179.9-56.30000110.7Q14 F15 I63 F129Q14-C58 PolarHBondContact N-O 3.46Å; F15-C58 HydrophobicContact CB-CB 4.03Å; F15-C58 HydrophobicContact CD1-CB 4.41Å; F15-C58 PolarHBondContact N-O 3.3Å; F15-C58 PolarHBondContact O-N 3.38Å; C58-I63 HydrophobicContact CB-CG2 4.17Å; C58-I63 VanDerWaalsContact SG-CG2 3.6Å; C58-F129 HydrophobicContact CB-CD1 4.09Å; C58-F129 HydrophobicContact CB-CE1 3.6Å; C58-F129 HydrophobicContact CB-CE2 4.42Å; C58-F129 HydrophobicContact CB-CZ 3.79Å
59Y90Very high82Confident47 Ų4756.6 Ų56.618%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-118.2167.7178.2-60.9-92.3000109.5E11 L13 K57 T61 Y62 S64 F129E11-Y59 HydrophobicContact CB-CD1 4.06Å; L13-Y59 HydrophobicContact CB-CD1 4.46Å; L13-Y59 HydrophobicContact CB-CE1 4.15Å; L13-Y59 HydrophobicContact CD1-CD1 4.43Å; L13-Y59 HydrophobicContact CD1-CE1 4.01Å; L13-Y59 HydrophobicContact CD1-CE2 4.22Å; K57-Y59 HydrophobicContact CB-CE2 3.72Å; Y59-T61 PolarHBondContact O-N 3.33Å; Y59-Y62 AromaticContact CD2-CD2 3.83Å; Y59-Y62 HydrophobicContact CD2-CD2 3.83Å; Y59-Y62 AromaticContact CD2-CE1 3.99Å; Y59-Y62 HydrophobicContact CD2-CE1 3.99Å; Y59-Y62 AromaticContact CD2-CE2 3.21Å; Y59-Y62 HydrophobicContact CD2-CE2 3.21Å; Y59-Y62 HydrophobicContact CD2-CG 4.46Å; Y59-Y62 AromaticContact CD2-CZ 3.31Å; Y59-Y62 AromaticContact CE2-CE2 3.59Å; Y59-Y62 HydrophobicContact CE2-CE2 3.59Å; Y59-Y62 AromaticContact CE2-CZ 3.75Å; Y59-Y62 HydrophobicContact CG-CD1 4.49Å; Y59-Y62 AromaticContact CG-CE1 3.9Å; Y59-Y62 HydrophobicContact CG-CE1 3.9Å; Y59-Y62 AromaticContact CG-CE2 3.99Å; Y59-Y62 HydrophobicContact CG-CE2 3.99Å; Y59-Y62 AromaticContact CG-CZ 3.63Å; Y59-Y62 PolarHBondContact N-O 3.43Å; Y59-Y62 PolarHBondContact O-N 3.07Å; Y59-S64 WeakPolarHBondContact CE2-OG 3.18Å; Y59-F129 WeakPolarHBondContact O-CZ 3.37Å
60E86.1Confident82.9Confident86 Ų8653.2 Ų53.240%0.40226%0.262SS..SBendtrans-58.1-23.9-176-66.5175.6178.100114.6K12 Q14 L82K12-E60 WeakPolarHBondContact CB-OE1 3.33Å; Q14-E60 HydrophobicContact CG-CG 4.16Å; Q14-E60 PolarHBondContact NE2-OE1 2.96Å; E60-L82 WeakPolarHBondContact O-CD1 3.39Å
61T83.8Confident83.5Confident27 Ų2747.7 Ų47.717%0.16623%0.233CC..SBendtrans-117.3-12.6178.473.50000115.6E11 Y59 L82E11-T61 VanDerWaalsContact CD-OG1 3.22Å; E11-T61 PolarHBondContact OE1-OG1 2.81Å; E11-T61 PolarHBondContact OE2-N 2.8Å; E11-T61 PolarHBondContact OE2-OG1 3.48Å; Y59-T61 PolarHBondContact O-N 3.33Å; T61-L82 PolarHBondContact O-N 3.18Å
62Y89.7Confident84Confident36 Ų3648.6 Ų48.614%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-153.9157.2-175.767.1-84.8000113.8E11 Y59 R79 I80E11-Y62 WeakPolarHBondContact OE2-CD1 3.38Å; E11-Y62 WeakPolarHBondContact OE2-CE1 3.3Å; Y59-Y62 AromaticContact CD2-CD2 3.83Å; Y59-Y62 HydrophobicContact CD2-CD2 3.83Å; Y59-Y62 AromaticContact CD2-CE1 3.99Å; Y59-Y62 HydrophobicContact CD2-CE1 3.99Å; Y59-Y62 AromaticContact CD2-CE2 3.21Å; Y59-Y62 HydrophobicContact CD2-CE2 3.21Å; Y59-Y62 HydrophobicContact CD2-CG 4.46Å; Y59-Y62 AromaticContact CD2-CZ 3.31Å; Y59-Y62 AromaticContact CE2-CE2 3.59Å; Y59-Y62 HydrophobicContact CE2-CE2 3.59Å; Y59-Y62 AromaticContact CE2-CZ 3.75Å; Y59-Y62 HydrophobicContact CG-CD1 4.49Å; Y59-Y62 AromaticContact CG-CE1 3.9Å; Y59-Y62 HydrophobicContact CG-CE1 3.9Å; Y59-Y62 AromaticContact CG-CE2 3.99Å; Y59-Y62 HydrophobicContact CG-CE2 3.99Å; Y59-Y62 AromaticContact CG-CZ 3.63Å; Y59-Y62 PolarHBondContact N-O 3.43Å; Y59-Y62 PolarHBondContact O-N 3.07Å; Y62-R79 HydrophobicContact CD2-CG 3.56Å; Y62-R79 VanDerWaalsContact CD2-NE 3.31Å; Y62-R79 VanDerWaalsContact CE1-CZ 3.5Å; Y62-R79 HydrophobicContact CE2-CG 4.17Å; Y62-R79 HydrophobicContact CG-CG 4Å; Y62-I80 CarbonylContact C-O 3.56Å; Y62-I80 VanDerWaalsContact CA-O 3.32Å; Y62-I80 WeakPolarHBondContact CA-O 3.32Å; Y62-I80 VanDerWaalsContact CB-O 3.31Å; Y62-I80 WeakPolarHBondContact CB-O 3.45Å
63I90.6Very high83.5Confident0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-100.9153.9160.467176.4000110.1L56 K57 C58 F65 R79 I80 L82 I85 I100 F129L56-I63 HydrophobicContact CD1-CB 4.09Å; K57-I63 CarbonylContact O-C 3.56Å; C58-I63 HydrophobicContact CB-CG2 4.17Å; C58-I63 VanDerWaalsContact SG-CG2 3.6Å; I63-F65 HydrophobicContact CD1-CE2 3.87Å; I63-F65 HydrophobicContact CD1-CZ 3.82Å; I63-F65 HydrophobicContact CG1-CE2 4.17Å; I63-F65 HydrophobicContact CG1-CZ 4.48Å; I63-R79 WeakPolarHBondContact O-CA 3.33Å; I63-I80 HydrophobicContact CD1-CB 4.48Å; I63-I80 HydrophobicContact CD1-CD1 4.45Å; I63-I80 HydrophobicContact CG1-CB 3.93Å; I63-I80 PolarHBondContact N-O 3.07Å; I63-I80 PolarHBondContact O-N 3.45Å; I63-L82 HydrophobicContact CG2-CD2 3.88Å; I63-I85 HydrophobicContact CD1-CD1 3.76Å; I63-I85 HydrophobicContact CG1-CD1 4.13Å; I63-I100 HydrophobicContact CD1-CD1 3.53Å; I63-F129 HydrophobicContact CG2-CE1 4.11Å
64S91.5Very high82.8Confident19 Ų1948.7 Ų48.713%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-142.9147.9-178.951.60000111.9L56 K57 Y59 G78L56-S64 CarbonylContact C-O 3.58Å; L56-S64 WeakPolarHBondContact CA-O 3.36Å; K57-S64 PolarHBondContact N-O 3.08Å; K57-S64 PolarHBondContact O-N 3.38Å; K57-S64 PolarHBondContact O-OG 2.89Å; Y59-S64 WeakPolarHBondContact CE2-OG 3.18Å; S64-G78 CarbonylContact C-O 3.44Å; S64-G78 WeakPolarHBondContact CA-O 3.32Å; S64-G78 WeakPolarHBondContact CB-O 3.38Å
65F89.5Confident82.2Confident4 Ų456.7 Ų56.72%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-126.7122.8-177.6-57.7-80.8000109V19 F21 Q55 L56 I63 E77 G78 I80 I100 M115V19-F65 HydrophobicContact CG2-CD1 4.27Å; V19-F65 HydrophobicContact CG2-CE1 4.32Å; F21-F65 HydrophobicContact CE1-CD1 4.32Å; F21-F65 HydrophobicContact CE1-CE1 4.12Å; F21-F65 HydrophobicContact CE2-CD1 4.48Å; F21-F65 AromaticContact CZ-CD1 3.54Å; F21-F65 HydrophobicContact CZ-CD1 3.54Å; F21-F65 AromaticContact CZ-CE1 3.79Å; F21-F65 HydrophobicContact CZ-CE1 3.79Å; F21-F65 HydrophobicContact CZ-CG 4.08Å; Q55-F65 CarbonylContact O-C 3.59Å; Q55-F65 WeakPolarHBondContact O-CA 3.4Å; L56-F65 HydrophobicContact CB-CD1 4.19Å; L56-F65 HydrophobicContact CB-CE1 4.19Å; L56-F65 HydrophobicContact CD1-CD1 4.09Å; L56-F65 HydrophobicContact CD1-CE1 3.65Å; L56-F65 HydrophobicContact CD1-CZ 4.03Å; L56-F65 HydrophobicContact CD2-CE1 4.42Å; L56-F65 HydrophobicContact CG-CE1 4.29Å; I63-F65 HydrophobicContact CD1-CE2 3.87Å; I63-F65 HydrophobicContact CD1-CZ 3.82Å; I63-F65 HydrophobicContact CG1-CE2 4.17Å; I63-F65 HydrophobicContact CG1-CZ 4.48Å; F65-E77 WeakPolarHBondContact CD2-O 3.39Å; F65-G78 PolarHBondContact N-O 3.47Å; F65-G78 WeakPolarHBondContact O-CA 3.35Å; F65-I80 HydrophobicContact CE2-CD1 3.94Å; F65-I80 HydrophobicContact CE2-CG1 4.5Å; F65-I100 HydrophobicContact CZ-CD1 4.5Å; F65-M115 HydrophobicContact CE1-CE 4.15Å; F65-M115 HydrophobicContact CE1-SD 4.3Å; F65-M115 HydrophobicContact CZ-CE 3.97Å
66Y84.7Confident81.4Confident172 Ų17252.9 Ų52.968%0.67527%0.268SS*.EExtended strand (participates in β ladder)trans-136.1129.7177.1-171.8-94.8000112.1Q55Q55-Y66 PolarHBondContact N-O 2.95Å; Q55-Y66 PolarHBondContact O-N 2.91Å
67P83.8Confident80.4Confident63 Ų6354.3 Ų54.341%0.40927%0.274SS..SBendcis-64.2162.8-4.130.1-37000112.2S54 I69S54-P67 PolarHBondContact OG-O 2.88Å; P67-I69 HydrophobicContact CG-CD1 4.47Å; P67-I69 HydrophobicContact CG-CG1 4.26Å
68E78Confident79.9Confident85 Ų8552.5 Ų52.540%0.39727%0.271SS..  trans-67.9139.6161.4-67.8-169.5172.100109.2R75 G78E68-R75 IonicContact OE1-NH2 2.68Å; E68-R75 IonicContact OE2-CZ 3.14Å; E68-R75 IonicContact OE2-NE 3.95Å; E68-R75 PolarHBondContact OE2-NE 3.5Å; E68-R75 IonicContact OE2-NH2 3.18Å; E68-R75 PolarHBondContact OE2-NH2 2.87Å; E68-G78 WeakPolarHBondContact OE1-CA 3.38Å; E68-G78 PolarHBondContact OE1-N 2.94Å; E68-G78 VanDerWaalsContact OE1-N 3.16Å
69I71.8Confident79.8Confident23 Ų2359.1 Ų59.112%0.11830%0.296CS..  trans-130.2146.2-174.9-47.8-177.5000111F21 L52 S53 S54 P67 V71 L76F21-I69 HydrophobicContact CD2-CD1 4.42Å; F21-I69 HydrophobicContact CE2-CD1 4.47Å; L52-I69 HydrophobicContact CB-CD1 4.16Å; L52-I69 HydrophobicContact CB-CG2 3.75Å; L52-I69 HydrophobicContact CD1-CG2 3.97Å; L52-I69 HydrophobicContact CD2-CG2 3.53Å; L52-I69 HydrophobicContact CG-CG2 3.88Å; S53-I69 WeakPolarHBondContact O-CD1 3.26Å; S54-I69 WeakPolarHBondContact OG-CD1 3.31Å; S54-I69 WeakPolarHBondContact OG-CG1 3.41Å; P67-I69 HydrophobicContact CG-CD1 4.47Å; P67-I69 HydrophobicContact CG-CG1 4.26Å; I69-V71 HydrophobicContact CG2-CG2 4.49Å; I69-L76 HydrophobicContact CB-CD1 4.37Å; I69-L76 VanDerWaalsContact O-CB 3.25Å; I69-L76 WeakPolarHBondContact O-CB 3.32Å; I69-L76 WeakPolarHBondContact O-CG 3.13Å; I69-L76 PolarHBondContact O-N 3.18Å
70L72.3Confident79.7Confident113 Ų11356.9 Ų56.959%0.59229%0.287SS*.EExtended strand (participates in β ladder)trans-87.4106.2169.8-165.282.8000109.6L52 I74 R75L52-L70 WeakPolarHBondContact CD1-O 3.29Å; L70-I74 CarbonylContact C-O 3.56Å; L70-I74 WeakPolarHBondContact CA-O 3.39Å; L70-R75 HydrophobicContact CD1-CB 4.18Å
71V70.1Confident79.7Confident4 Ų454.5 Ų54.52%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-105.9125.7176.2179.90000108.7F21 G23 S24 L52 I69 G73 I74 L76F21-V71 HydrophobicContact CB-CG1 4.48Å; F21-V71 HydrophobicContact CB-CG2 3.77Å; F21-V71 HydrophobicContact CD2-CG2 4.42Å; F21-V71 HydrophobicContact CG-CG2 4.12Å; G23-V71 VanDerWaalsContact C-CG1 3.46Å; G23-V71 VanDerWaalsContact CA-CG1 3.44Å; S24-V71 PolarHBondContact OG-O 2.97Å; L52-V71 HydrophobicContact CB-CG2 4.36Å; L52-V71 HydrophobicContact CD1-CB 4.25Å; L52-V71 HydrophobicContact CD1-CG2 3.66Å; I69-V71 HydrophobicContact CG2-CG2 4.49Å; V71-G73 PolarHBondContact O-N 2.8Å; V71-I74 PolarHBondContact N-O 3.36Å; V71-I74 PolarHBondContact O-N 3.06Å; V71-I74 VanDerWaalsContact O-O 3.07Å; V71-L76 HydrophobicContact CB-CD1 4.43Å; V71-L76 HydrophobicContact CB-CD2 4.1Å; V71-L76 HydrophobicContact CB-CG 4.15Å; V71-L76 HydrophobicContact CG2-CD1 3.48Å; V71-L76 VanDerWaalsContact CG2-CD1 3.48Å; V71-L76 HydrophobicContact CG2-CD2 4.02Å; V71-L76 HydrophobicContact CG2-CG 3.66Å
72T69.1Low79.7Confident105 Ų10554.8 Ų54.864%0.64428%0.28SS*.THydrogen-bonded Turntrans50.732.4177.247.60000114.3S24 I74S24-T72 PolarHBondContact N-OG1 3.35Å; S24-T72 PolarHBondContact O-OG1 3.04Å; S24-T72 PolarHBondContact OG-OG1 2.95Å; T72-I74 VanDerWaalsContact C-N 3.28Å; T72-I74 PolarHBondContact O-N 2.72Å
73G65.3Low79.3Confident61 Ų6160 Ų6063%0.62931%0.306SS*.THydrogen-bonded Turntrans81.8-7.1-177.800000115.6V71V71-G73 PolarHBondContact O-N 2.8Å
74I67.7Low78.9Confident43 Ų4362.4 Ų62.422%0.22132%0.317CS..EExtended strand (participates in β ladder)trans-93.4130.8173.4-61.1166.1000107.9S24 I26 L70 V71 T72 L76S24-I74 WeakPolarHBondContact OG-CB 3.36Å; S24-I74 WeakPolarHBondContact OG-CD1 3.5Å; I26-I74 HydrophobicContact CD1-CD1 3.97Å; I26-I74 HydrophobicContact CD1-CG1 4.44Å; I26-I74 HydrophobicContact CG1-CD1 3.9Å; L70-I74 CarbonylContact C-O 3.56Å; L70-I74 WeakPolarHBondContact CA-O 3.39Å; V71-I74 PolarHBondContact N-O 3.36Å; V71-I74 PolarHBondContact O-N 3.06Å; V71-I74 VanDerWaalsContact O-O 3.07Å; T72-I74 VanDerWaalsContact C-N 3.28Å; T72-I74 PolarHBondContact O-N 2.72Å; I74-L76 PolarHBondContact O-N 2.92Å
75R74.8Confident78.5Confident170 Ų17062 Ų6264%0.64231%0.313SS*.EExtended strand (participates in β ladder)trans-74.8117.3171.9178.7174.6172.5-172.6-5108.1E68 L70 E77E68-R75 IonicContact OE1-NH2 2.68Å; E68-R75 IonicContact OE2-CZ 3.14Å; E68-R75 IonicContact OE2-NE 3.95Å; E68-R75 PolarHBondContact OE2-NE 3.5Å; E68-R75 IonicContact OE2-NH2 3.18Å; E68-R75 PolarHBondContact OE2-NH2 2.87Å; L70-R75 HydrophobicContact CD1-CB 4.18Å; R75-E77 PolarHBondContact O-N 2.98Å
76L74.6Confident78.1Confident1 Ų164.4 Ų64.41%0.00533%0.326CS..PPolyproline II helixtrans-64.9132170.3-61.8-173.3000109.7F21 I69 V71 I74 Y113F21-L76 HydrophobicContact CB-CD1 4.49Å; F21-L76 HydrophobicContact CD1-CD1 3.58Å; F21-L76 HydrophobicContact CD2-CD1 3.42Å; F21-L76 VanDerWaalsContact CD2-CD1 3.42Å; F21-L76 HydrophobicContact CE1-CD1 3.48Å; F21-L76 VanDerWaalsContact CE1-CD1 3.48Å; F21-L76 HydrophobicContact CE2-CD1 3.32Å; F21-L76 HydrophobicContact CG-CD1 3.55Å; F21-L76 HydrophobicContact CZ-CD1 3.34Å; I69-L76 HydrophobicContact CB-CD1 4.37Å; I69-L76 VanDerWaalsContact O-CB 3.25Å; I69-L76 WeakPolarHBondContact O-CB 3.32Å; I69-L76 WeakPolarHBondContact O-CG 3.13Å; I69-L76 PolarHBondContact O-N 3.18Å; V71-L76 HydrophobicContact CB-CD1 4.43Å; V71-L76 HydrophobicContact CB-CD2 4.1Å; V71-L76 HydrophobicContact CB-CG 4.15Å; V71-L76 HydrophobicContact CG2-CD1 3.48Å; V71-L76 VanDerWaalsContact CG2-CD1 3.48Å; V71-L76 HydrophobicContact CG2-CD2 4.02Å; V71-L76 HydrophobicContact CG2-CG 3.66Å; I74-L76 PolarHBondContact O-N 2.92Å; L76-Y113 WeakPolarHBondContact CA-OH 3.36Å; L76-Y113 HydrophobicContact CB-CE2 4.26Å; L76-Y113 HydrophobicContact CD2-CD1 3.59Å; L76-Y113 HydrophobicContact CD2-CD2 3.89Å; L76-Y113 HydrophobicContact CD2-CE1 3.37Å; L76-Y113 HydrophobicContact CD2-CE2 3.66Å; L76-Y113 HydrophobicContact CD2-CG 3.86Å; L76-Y113 VanDerWaalsContact CD2-CZ 3.42Å; L76-Y113 HydrophobicContact CG-CE2 4.5Å
77E73Confident78Confident30 Ų3056.2 Ų56.214%0.1429%0.294CS..PPolyproline II helixtrans-75124.9-179.8-62.3-179.3-145.800110.1F65 R75 R79 I80 F102 R104 Y113F65-E77 WeakPolarHBondContact CD2-O 3.39Å; R75-E77 PolarHBondContact O-N 2.98Å; E77-R79 PolarHBondContact O-N 3.13Å; E77-R79 VanDerWaalsContact O-N 3.14Å; E77-I80 HydrophobicContact CB-CG1 4.18Å; E77-F102 WeakPolarHBondContact OE1-CE2 3.37Å; E77-R104 IonicContact OE1-CZ 2.72Å; E77-R104 IonicContact OE1-NE 2.79Å; E77-R104 PolarHBondContact OE1-NE 2.89Å; E77-R104 IonicContact OE1-NH1 2.71Å; E77-R104 IonicContact OE1-NH2 3.12Å; E77-R104 PolarHBondContact OE1-NH2 2.84Å; E77-R104 IonicContact OE2-CZ 2.66Å; E77-R104 IonicContact OE2-NE 2.75Å; E77-R104 PolarHBondContact OE2-NE 3.26Å; E77-R104 IonicContact OE2-NH2 2.8Å; E77-R104 PolarHBondContact OE2-NH2 2.95Å; E77-Y113 PolarHBondContact N-OH 2.86Å; E77-Y113 VanDerWaalsContact N-OH 3.1Å
78G80.6Confident78.1Confident14 Ų1454 Ų5414%0.14428%0.278CS..SBendtrans-67.5-11.7-179.200000114.2S64 F65 E68S64-G78 CarbonylContact C-O 3.44Å; S64-G78 WeakPolarHBondContact CA-O 3.32Å; S64-G78 WeakPolarHBondContact CB-O 3.38Å; F65-G78 PolarHBondContact N-O 3.47Å; F65-G78 WeakPolarHBondContact O-CA 3.35Å; E68-G78 WeakPolarHBondContact OE1-CA 3.38Å; E68-G78 PolarHBondContact OE1-N 2.94Å; E68-G78 VanDerWaalsContact OE1-N 3.16Å
79R89Confident78.3Confident139 Ų13950.5 Ų50.553%0.52526%0.261SS..EExtended strand (participates in β ladder)trans-151.4129.9178.7-176168.7-176-173.7-1.5110E11 Y62 I63 E77E11-R79 IonicContact OE1-NH2 3.14Å; Y62-R79 HydrophobicContact CD2-CG 3.56Å; Y62-R79 VanDerWaalsContact CD2-NE 3.31Å; Y62-R79 VanDerWaalsContact CE1-CZ 3.5Å; Y62-R79 HydrophobicContact CE2-CG 4.17Å; Y62-R79 HydrophobicContact CG-CG 4Å; I63-R79 WeakPolarHBondContact O-CA 3.33Å; E77-R79 PolarHBondContact O-N 3.13Å; E77-R79 VanDerWaalsContact O-N 3.14Å
80I87.2Confident78.8Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-128.7126.6176.2-52177.2000107.6Y62 I63 F65 E77 E84 I85 F102 Y113Y62-I80 CarbonylContact C-O 3.56Å; Y62-I80 VanDerWaalsContact CA-O 3.32Å; Y62-I80 WeakPolarHBondContact CA-O 3.32Å; Y62-I80 VanDerWaalsContact CB-O 3.31Å; Y62-I80 WeakPolarHBondContact CB-O 3.45Å; I63-I80 HydrophobicContact CD1-CB 4.48Å; I63-I80 HydrophobicContact CD1-CD1 4.45Å; I63-I80 HydrophobicContact CG1-CB 3.93Å; I63-I80 PolarHBondContact N-O 3.07Å; I63-I80 PolarHBondContact O-N 3.45Å; F65-I80 HydrophobicContact CE2-CD1 3.94Å; F65-I80 HydrophobicContact CE2-CG1 4.5Å; E77-I80 HydrophobicContact CB-CG1 4.18Å; I80-E84 HydrophobicContact CG2-CB 4.1Å; I80-I85 HydrophobicContact CG2-CG1 4Å; I80-F102 HydrophobicContact CD1-CD1 3.82Å; I80-F102 HydrophobicContact CD1-CD2 4.23Å; I80-F102 HydrophobicContact CD1-CE1 3.79Å; I80-F102 HydrophobicContact CD1-CE2 4.2Å; I80-F102 HydrophobicContact CD1-CG 4.05Å; I80-F102 HydrophobicContact CD1-CZ 3.99Å; I80-F102 HydrophobicContact CG2-CB 3.96Å; I80-F102 HydrophobicContact CG2-CD2 3.94Å; I80-F102 HydrophobicContact CG2-CG 3.93Å; I80-Y113 HydrophobicContact CD1-CD2 4.11Å; I80-Y113 HydrophobicContact CD1-CE2 3.81Å
81S86.5Confident79Confident35 Ų3545.9 Ų45.925%0.24524%0.239CC..EExtended strand (participates in β ladder)trans-66.2142.4174.71790000110.5Q83 E84S81-Q83 PolarHBondContact O-N 2.88Å; S81-Q83 VanDerWaalsContact O-N 3.13Å; S81-Q83 PolarHBondContact OG-N 3.41Å; S81-E84 VanDerWaalsContact CB-OE2 3.29Å; S81-E84 WeakPolarHBondContact CB-OE2 3.47Å; S81-E84 PolarHBondContact N-OE2 2.74Å; S81-E84 WeakPolarHBondContact O-CB 3.44Å; S81-E84 PolarHBondContact O-N 3.33Å
82L84Confident79Confident33 Ų3349.8 Ų49.817%0.17326%0.264CS..THydrogen-bonded Turntrans-61.6-21.7173.1-62.3-178.4000112.4E60 T61 I63 E84 I85 F129 L130E60-L82 WeakPolarHBondContact O-CD1 3.39Å; T61-L82 PolarHBondContact O-N 3.18Å; I63-L82 HydrophobicContact CG2-CD2 3.88Å; L82-E84 VanDerWaalsContact C-N 3.34Å; L82-I85 HydrophobicContact CD2-CD1 3.91Å; L82-I85 PolarHBondContact O-N 2.92Å; L82-F129 HydrophobicContact CD1-CE1 4.32Å; L82-F129 HydrophobicContact CD1-CZ 3.91Å; L82-F129 HydrophobicContact CD2-CE1 3.9Å; L82-F129 HydrophobicContact CD2-CZ 4.26Å; L82-L130 HydrophobicContact CD2-CD2 4.16Å
83Q81.6Confident79.1Confident147 Ų14750 Ų5069%0.68726%0.256SS*.THydrogen-bonded Turntrans-74.8-22.4174.7-62.5177.8-9.200113.2S81S81-Q83 PolarHBondContact O-N 2.88Å; S81-Q83 VanDerWaalsContact O-N 3.13Å; S81-Q83 PolarHBondContact OG-N 3.41Å
84E82Confident79.7Confident50 Ų5050.5 Ų50.523%0.23424%0.242CC..THydrogen-bonded Turntrans-83.1-19176.2-65.7165.8142.600111.3I80 S81 L82 L86 F102 Q103I80-E84 HydrophobicContact CG2-CB 4.1Å; S81-E84 VanDerWaalsContact CB-OE2 3.29Å; S81-E84 WeakPolarHBondContact CB-OE2 3.47Å; S81-E84 PolarHBondContact N-OE2 2.74Å; S81-E84 WeakPolarHBondContact O-CB 3.44Å; S81-E84 PolarHBondContact O-N 3.33Å; L82-E84 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.92Å; E84-F102 HydrophobicContact CB-CB 4.47Å; E84-F102 CarbonylContact O-C 3.45Å; E84-F102 WeakPolarHBondContact O-CA 3.31Å; E84-F102 VanDerWaalsContact O-CB 3.25Å; E84-F102 WeakPolarHBondContact O-CB 3.47Å; E84-Q103 PolarHBondContact O-N 3.02Å
85I82.8Confident80.4Confident10 Ų1051.6 Ų51.65%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-78112.1-179.5-60.9176.6000109.9I63 I80 L82 I100 L101 F102 L130I63-I85 HydrophobicContact CD1-CD1 3.76Å; I63-I85 HydrophobicContact CG1-CD1 4.13Å; I80-I85 HydrophobicContact CG2-CG1 4Å; L82-I85 HydrophobicContact CD2-CD1 3.91Å; L82-I85 PolarHBondContact O-N 2.92Å; I85-I100 HydrophobicContact CD1-CG2 4.16Å; I85-I100 HydrophobicContact CG1-CG2 4.12Å; I85-I100 HydrophobicContact CG2-CG2 3.85Å; I85-L101 CarbonylContact C-O 3.04Å; I85-L101 WeakPolarHBondContact CA-O 3.38Å; I85-F102 HydrophobicContact CG1-CB 4.28Å; I85-L130 HydrophobicContact CD1-CD2 3.79Å
86L81.4Confident81.1Confident54 Ų5448.2 Ų48.228%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-79.8-25179.5-58.3-177.9000113E84 L101 Q103 V110 Y326E84-L86 PolarHBondContact O-N 2.92Å; L86-L101 PolarHBondContact N-O 3.43Å; L86-Q103 HydrophobicContact CD1-CB 3.8Å; L86-Q103 HydrophobicContact CD2-CB 4.36Å; L86-Q103 HydrophobicContact CG-CB 4.11Å; L86-V110 HydrophobicContact CD1-CB 4.5Å; L86-V110 HydrophobicContact CD1-CG1 4.1Å; L86-V110 HydrophobicContact CD1-CG2 3.55Å; L86-Y326 PolarHBondContact O-N 3.31Å
87G81.8Confident81.6Confident1 Ų148.5 Ų48.51%0.0124%0.244CC..EExtended strand (participates in β ladder)trans162.4-169.3-176.300000112.6L101 G324G87-L101 WeakPolarHBondContact O-CD1 3.2Å; G87-L101 PolarHBondContact O-N 3.4Å; G87-G324 WeakPolarHBondContact CA-O 3.38Å
88F86.2Confident82.3Confident16 Ų1647 Ų477%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-152.2157.1179.762.5-90.8000112.3V90 L98 V99 A127 L130 T131 I323 G324F88-V90 HydrophobicContact CD2-CG1 4.03Å; F88-V90 HydrophobicContact CE2-CG1 4.14Å; F88-L98 HydrophobicContact CB-CD2 4.26Å; F88-L98 HydrophobicContact CD2-CD1 4.4Å; F88-V99 CarbonylContact C-O 3.57Å; F88-V99 WeakPolarHBondContact CA-O 3.43Å; F88-V99 VanDerWaalsContact CB-O 3.32Å; F88-V99 WeakPolarHBondContact CB-O 3.3Å; F88-A127 HydrophobicContact CD2-CB 4.43Å; F88-A127 HydrophobicContact CE2-CB 3.69Å; F88-A127 HydrophobicContact CZ-CB 3.98Å; F88-A127 WeakPolarHBondContact CZ-O 3.38Å; F88-L130 HydrophobicContact CB-CD1 4.34Å; F88-L130 HydrophobicContact CD1-CB 3.65Å; F88-L130 HydrophobicContact CD1-CD1 4Å; F88-L130 HydrophobicContact CD1-CG 4.5Å; F88-L130 HydrophobicContact CE1-CB 3.68Å; F88-L130 HydrophobicContact CG-CD1 4.27Å; F88-T131 WeakPolarHBondContact CZ-OG1 3.49Å; F88-I323 WeakPolarHBondContact O-CG2 3.25Å; F88-G324 PolarHBondContact O-N 2.89Å
89F82.9Confident82.6Confident11 Ų1146.4 Ų46.45%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-109.2140.6168.2-69.1-102.7000110.6L34 K35 A38 I42 L98 V99 L101 I323L34-F89 HydrophobicContact CD2-CE2 3.58Å; L34-F89 HydrophobicContact CD2-CZ 3.57Å; K35-F89 HydrophobicContact CB-CE1 4.31Å; K35-F89 HydrophobicContact CB-CZ 4.4Å; K35-F89 HydrophobicContact CG-CE1 4.27Å; K35-F89 HydrophobicContact CG-CZ 4.17Å; A38-F89 HydrophobicContact CB-CB 4.26Å; A38-F89 HydrophobicContact CB-CD1 3.94Å; A38-F89 HydrophobicContact CB-CD2 3.36Å; A38-F89 HydrophobicContact CB-CE1 4.08Å; A38-F89 HydrophobicContact CB-CE2 3.55Å; A38-F89 HydrophobicContact CB-CG 3.6Å; A38-F89 HydrophobicContact CB-CZ 3.94Å; I42-F89 HydrophobicContact CD1-CB 4.09Å; F89-L98 WeakPolarHBondContact O-CA 3.18Å; F89-V99 HydrophobicContact CB-CB 4.24Å; F89-V99 PolarHBondContact N-O 2.96Å; F89-V99 PolarHBondContact O-N 3.41Å; F89-L101 HydrophobicContact CD2-CD1 3.67Å; F89-L101 HydrophobicContact CE2-CD1 3.72Å; F89-L101 HydrophobicContact CE2-CD2 4.06Å; F89-L101 HydrophobicContact CE2-CG 4.39Å; F89-I323 HydrophobicContact CD1-CB 4.5Å; F89-I323 HydrophobicContact CD1-CD1 3.91Å; F89-I323 HydrophobicContact CD1-CG1 3.6Å; F89-I323 HydrophobicContact CD1-CG2 4.26Å; F89-I323 HydrophobicContact CE1-CB 4.47Å; F89-I323 HydrophobicContact CE1-CD1 3.29Å; F89-I323 HydrophobicContact CE1-CG1 3.54Å; F89-I323 HydrophobicContact CE1-CG2 4.11Å; F89-I323 HydrophobicContact CE2-CG2 4.39Å; F89-I323 HydrophobicContact CG-CG1 4.48Å; F89-I323 HydrophobicContact CG-CG2 4.46Å; F89-I323 HydrophobicContact CZ-CD1 3.97Å; F89-I323 HydrophobicContact CZ-CG1 4.35Å; F89-I323 HydrophobicContact CZ-CG2 4.14Å
90V82.4Confident82.6Confident35 Ų3539.8 Ų39.821%0.21221%0.206CC..EExtended strand (participates in β ladder)trans-126.1158.2168.2-73.40000110.7F88 L98 A127 S322F88-V90 HydrophobicContact CD2-CG1 4.03Å; F88-V90 HydrophobicContact CE2-CG1 4.14Å; V90-L98 HydrophobicContact CG1-CB 4.5Å; V90-L98 HydrophobicContact CG1-CD1 3.76Å; V90-L98 HydrophobicContact CG1-CG 4.05Å; V90-A127 HydrophobicContact CG1-CB 4.21Å; V90-S322 WeakPolarHBondContact CG2-O 3.4Å; V90-S322 PolarHBondContact N-O 3.25Å
91S76Confident82.6Confident5 Ų539.9 Ų39.94%0.03521%0.207CC..  trans-125.2123.4176.5-177.50000112K93 H94 P95 F321S91-K93 VanDerWaalsContact C-N 3.28Å; S91-K93 PolarHBondContact O-N 2.79Å; S91-K93 PolarHBondContact OG-N 2.84Å; S91-H94 CarbonylContact O-C 3.6Å; S91-H94 PolarHBondContact O-N 3.41Å; S91-H94 VanDerWaalsContact O-O 3.13Å; S91-H94 PolarHBondContact OG-N 2.64Å; S91-H94 VanDerWaalsContact OG-N 3.13Å; S91-P95 WeakPolarHBondContact O-CA 3.39Å; S91-F321 VanDerWaalsContact CB-CD1 3.49Å; S91-F321 WeakPolarHBondContact OG-CD1 3.11Å; S91-F321 WeakPolarHBondContact OG-CE1 3.38Å
92P71.1Confident82.6Confident85 Ų8538.3 Ų38.355%0.55220%0.195SC*.SBendtrans-59.4-35.4166.6-28.138.6000113.3H94 E320P92-H94 VanDerWaalsContact C-N 3.35Å; P92-E320 WeakPolarHBondContact CD-O 3.35Å; P92-E320 WeakPolarHBondContact CG-O 3.39Å
93K71.1Confident82.5Confident109 Ų10938.2 Ų38.247%0.47419%0.194SC..SBendtrans-70.8-28175-72.1-169.5169.4-1700113.4S91 E319S91-K93 VanDerWaalsContact C-N 3.28Å; S91-K93 PolarHBondContact O-N 2.79Å; S91-K93 PolarHBondContact OG-N 2.84Å; K93-E319 VanDerWaalsContact NZ-CG 3.34Å; K93-E319 IonicContact NZ-OE1 3.31Å; K93-E319 PolarHBondContact NZ-OE1 2.95Å
94H78.2Confident82.3Confident72 Ų7237.9 Ų37.933%0.33319%0.186SC..SBendtrans-125.370.5177.6-56.8-76.5000109.5I42 L43 S91 P92 K96 A97I42-H94 HydrophobicContact CG2-CB 3.92Å; L43-H94 WeakPolarHBondContact CD2-NE2 3.38Å; S91-H94 CarbonylContact O-C 3.6Å; S91-H94 PolarHBondContact O-N 3.41Å; S91-H94 VanDerWaalsContact O-O 3.13Å; S91-H94 PolarHBondContact OG-N 2.64Å; S91-H94 VanDerWaalsContact OG-N 3.13Å; P92-H94 VanDerWaalsContact C-N 3.35Å; H94-K96 PolarHBondContact O-N 3.4Å; H94-A97 HydrophobicContact CB-CB 3.8Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 2.9Å
95P82.2Confident82.1Confident67 Ų6737.3 Ų37.344%0.43519%0.188SC..THydrogen-bonded Turntrans-69.9-5.7-166.829.5-37.6000114.2S91 S120 A123S91-P95 WeakPolarHBondContact O-CA 3.39Å; P95-S120 WeakPolarHBondContact O-CA 3.24Å; P95-A123 VanDerWaalsContact O-CB 3.24Å; P95-A123 WeakPolarHBondContact O-CB 3.47Å
96K88.5Confident81.5Confident99 Ų9942.6 Ų42.643%0.4322%0.223SC..THydrogen-bonded Turntrans-94.3-13.5169.5-58.5-163.8-178.7-164.90113.5H94 V116 L117 S118H94-K96 PolarHBondContact O-N 3.4Å; K96-V116 HydrophobicContact CB-CG1 4.01Å; K96-V116 WeakPolarHBondContact O-CA 3.29Å; K96-L117 WeakPolarHBondContact O-CD1 3.41Å; K96-L117 PolarHBondContact O-N 3.26Å; K96-S118 PolarHBondContact NZ-O 3.45Å
97A85.3Confident81.2Confident6 Ų648 Ų485%0.0525%0.251CS..EExtended strand (participates in β ladder)trans-96.2136.2-174.100000111.3I42 H94 M115 V116I42-A97 HydrophobicContact CG2-CB 4.08Å; H94-A97 HydrophobicContact CB-CB 3.8Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 2.9Å; A97-M115 WeakPolarHBondContact CA-O 3.45Å; A97-V116 HydrophobicContact CB-CG2 4.26Å
98L88.1Confident81.1Confident0 Ų052.4 Ų52.40%027%0.272CS..EExtended strand (participates in β ladder)trans-143145.5-179.8-172.7148.3000108.8F88 F89 V90 I100 M115 L117 L126 A127F88-L98 HydrophobicContact CB-CD2 4.26Å; F88-L98 HydrophobicContact CD2-CD1 4.4Å; F89-L98 WeakPolarHBondContact O-CA 3.18Å; V90-L98 HydrophobicContact CG1-CB 4.5Å; V90-L98 HydrophobicContact CG1-CD1 3.76Å; V90-L98 HydrophobicContact CG1-CG 4.05Å; L98-I100 HydrophobicContact CD2-CD1 4.21Å; L98-I100 HydrophobicContact CD2-CG1 3.38Å; L98-M115 PolarHBondContact N-O 3.18Å; L98-M115 WeakPolarHBondContact O-CG 3.45Å; L98-M115 PolarHBondContact O-N 3.48Å; L98-M115 VanDerWaalsContact O-O 3.14Å; L98-L117 HydrophobicContact CB-CD1 3.95Å; L98-L126 HydrophobicContact CD1-CD2 4.17Å; L98-L126 HydrophobicContact CD1-CG 4.37Å; L98-L126 HydrophobicContact CD2-CD2 4.26Å; L98-A127 HydrophobicContact CD1-CB 4.25Å
99V87.5Confident81Confident0 Ų055 Ų550%029%0.286CS..EExtended strand (participates in β ladder)trans-119.7121.1171-1800000108.6A38 L41 I42 F88 F89 L112 Y113A38-V99 HydrophobicContact CB-CB 4.43Å; A38-V99 HydrophobicContact CB-CG1 4.29Å; A38-V99 HydrophobicContact CB-CG2 4.4Å; L41-V99 HydrophobicContact CB-CG2 3.84Å; L41-V99 HydrophobicContact CD1-CG1 4.08Å; I42-V99 HydrophobicContact CD1-CG2 4.21Å; I42-V99 HydrophobicContact CG1-CG2 3.66Å; F88-V99 CarbonylContact C-O 3.57Å; F88-V99 WeakPolarHBondContact CA-O 3.43Å; F88-V99 VanDerWaalsContact CB-O 3.32Å; F88-V99 WeakPolarHBondContact CB-O 3.3Å; F89-V99 HydrophobicContact CB-CB 4.24Å; F89-V99 PolarHBondContact N-O 2.96Å; F89-V99 PolarHBondContact O-N 3.41Å; V99-L112 HydrophobicContact CG1-CB 3.96Å; V99-L112 HydrophobicContact CG1-CD2 4.13Å; V99-L112 HydrophobicContact CG1-CG 4.44Å; V99-Y113 VanDerWaalsContact CA-O 3.29Å; V99-Y113 WeakPolarHBondContact CA-O 3.34Å
100I87.5Confident81.1Confident0 Ų054.5 Ų54.50%028%0.284CS..EExtended strand (participates in β ladder)trans-90.9137.5172.6-54.9-178.4000108.3I63 F65 I85 L98 L112 Y113 M115 L130I63-I100 HydrophobicContact CD1-CD1 3.53Å; F65-I100 HydrophobicContact CZ-CD1 4.5Å; I85-I100 HydrophobicContact CD1-CG2 4.16Å; I85-I100 HydrophobicContact CG1-CG2 4.12Å; I85-I100 HydrophobicContact CG2-CG2 3.85Å; L98-I100 HydrophobicContact CD2-CD1 4.21Å; L98-I100 HydrophobicContact CD2-CG1 3.38Å; I100-L112 WeakPolarHBondContact O-CA 3.16Å; I100-Y113 PolarHBondContact N-O 2.88Å; I100-Y113 PolarHBondContact O-N 2.98Å; I100-M115 HydrophobicContact CB-CE 4.37Å; I100-M115 HydrophobicContact CD1-CE 3.62Å; I100-M115 HydrophobicContact CD1-SD 4.12Å; I100-M115 HydrophobicContact CG1-CE 3.75Å; I100-M115 HydrophobicContact CG1-SD 4.45Å; I100-L130 HydrophobicContact CD1-CD1 4.17Å; I100-L130 HydrophobicContact CG1-CD1 4.22Å
101L88.5Confident81.4Confident3 Ų353.7 Ų53.72%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-109.7133.4169.2-54.196000109.7L34 I85 L86 G87 F89 V110 T111 L112L34-L101 HydrophobicContact CD1-CD2 3.7Å; L34-L101 HydrophobicContact CD2-CD2 3.57Å; L34-L101 HydrophobicContact CG-CD2 3.69Å; I85-L101 CarbonylContact C-O 3.04Å; I85-L101 WeakPolarHBondContact CA-O 3.38Å; L86-L101 PolarHBondContact N-O 3.43Å; G87-L101 WeakPolarHBondContact O-CD1 3.2Å; G87-L101 PolarHBondContact O-N 3.4Å; F89-L101 HydrophobicContact CD2-CD1 3.67Å; F89-L101 HydrophobicContact CE2-CD1 3.72Å; F89-L101 HydrophobicContact CE2-CD2 4.06Å; F89-L101 HydrophobicContact CE2-CG 4.39Å; L101-V110 HydrophobicContact CB-CG1 3.88Å; L101-V110 HydrophobicContact CD2-CG1 3.94Å; L101-V110 HydrophobicContact CG-CG1 4.47Å; L101-T111 WeakPolarHBondContact CA-O 3.12Å; L101-L112 HydrophobicContact CD2-CD1 4.41Å; L101-L112 HydrophobicContact CD2-CD2 3.93Å; L101-L112 HydrophobicContact CD2-CG 3.88Å; L101-L112 HydrophobicContact CG-CD2 4.31Å; L101-L112 HydrophobicContact CG-CG 4.05Å
102F84.8Confident82.1Confident1 Ų153.4 Ų53.40%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-145.7159.3175.369.7-79.4000111.5E77 I80 E84 I85 T111 Y113E77-F102 WeakPolarHBondContact OE1-CE2 3.37Å; I80-F102 HydrophobicContact CD1-CD1 3.82Å; I80-F102 HydrophobicContact CD1-CD2 4.23Å; I80-F102 HydrophobicContact CD1-CE1 3.79Å; I80-F102 HydrophobicContact CD1-CE2 4.2Å; I80-F102 HydrophobicContact CD1-CG 4.05Å; I80-F102 HydrophobicContact CD1-CZ 3.99Å; I80-F102 HydrophobicContact CG2-CB 3.96Å; I80-F102 HydrophobicContact CG2-CD2 3.94Å; I80-F102 HydrophobicContact CG2-CG 3.93Å; E84-F102 HydrophobicContact CB-CB 4.47Å; E84-F102 CarbonylContact O-C 3.45Å; E84-F102 WeakPolarHBondContact O-CA 3.31Å; E84-F102 VanDerWaalsContact O-CB 3.25Å; E84-F102 WeakPolarHBondContact O-CB 3.47Å; I85-F102 HydrophobicContact CG1-CB 4.28Å; F102-T111 HydrophobicContact CE1-CG2 3.59Å; F102-T111 HydrophobicContact CE2-CG2 4.36Å; F102-T111 HydrophobicContact CZ-CG2 3.45Å; F102-T111 VanDerWaalsContact CZ-CG2 3.45Å; F102-T111 PolarHBondContact N-O 3.27Å; F102-T111 PolarHBondContact O-N 2.88Å; F102-Y113 AromaticContact CE1-CD1 3.87Å; F102-Y113 HydrophobicContact CE1-CD1 3.87Å; F102-Y113 AromaticContact CE1-CD2 3.71Å; F102-Y113 HydrophobicContact CE1-CD2 3.71Å; F102-Y113 AromaticContact CE1-CE1 3.69Å; F102-Y113 HydrophobicContact CE1-CE1 3.69Å; F102-Y113 AromaticContact CE1-CE2 3.56Å; F102-Y113 HydrophobicContact CE1-CE2 3.56Å; F102-Y113 AromaticContact CE1-CG 3.86Å; F102-Y113 HydrophobicContact CE1-CG 3.86Å; F102-Y113 AromaticContact CE1-CZ 3.53Å; F102-Y113 HydrophobicContact CZ-CD1 4.41Å; F102-Y113 HydrophobicContact CZ-CD2 4.34Å; F102-Y113 AromaticContact CZ-CE1 3.77Å; F102-Y113 HydrophobicContact CZ-CE1 3.77Å; F102-Y113 AromaticContact CZ-CE2 3.71Å; F102-Y113 HydrophobicContact CZ-CE2 3.71Å; F102-Y113 AromaticContact CZ-CZ 3.37Å; F102-Y113 WeakPolarHBondContact CZ-OH 3.33Å
103Q82.9Confident82.9Confident32 Ų3249.5 Ų49.515%0.1525%0.251CS..  trans-148.8115.2-175.3-168.7-168.58.800107.9E84 L86 S105 P106 E108 V110E84-Q103 PolarHBondContact O-N 3.02Å; L86-Q103 HydrophobicContact CD1-CB 3.8Å; L86-Q103 HydrophobicContact CD2-CB 4.36Å; L86-Q103 HydrophobicContact CG-CB 4.11Å; Q103-S105 VanDerWaalsContact C-N 3.32Å; Q103-S105 VanDerWaalsContact CG-O 3.26Å; Q103-S105 WeakPolarHBondContact CG-O 3.41Å; Q103-S105 PolarHBondContact NE2-O 2.95Å; Q103-S105 PolarHBondContact O-N 2.86Å; Q103-P106 VanDerWaalsContact NE2-C 3.34Å; Q103-P106 PolarHBondContact NE2-O 3.4Å; Q103-E108 PolarHBondContact NE2-O 3.08Å; Q103-V110 HydrophobicContact CB-CG2 4.32Å; Q103-V110 HydrophobicContact CG-CG2 4.32Å
104R77.8Confident83.8Confident139 Ų13944.3 Ų44.353%0.52523%0.229SC..SBendtrans-69.3-29.9-176.8-69.4169.8160.1179.7-7.6113.6E77E77-R104 IonicContact OE1-CZ 2.72Å; E77-R104 IonicContact OE1-NE 2.79Å; E77-R104 PolarHBondContact OE1-NE 2.89Å; E77-R104 IonicContact OE1-NH1 2.71Å; E77-R104 IonicContact OE1-NH2 3.12Å; E77-R104 PolarHBondContact OE1-NH2 2.84Å; E77-R104 IonicContact OE2-CZ 2.66Å; E77-R104 IonicContact OE2-NE 2.75Å; E77-R104 PolarHBondContact OE2-NE 3.26Å; E77-R104 IonicContact OE2-NH2 2.8Å; E77-R104 PolarHBondContact OE2-NH2 2.95Å
105S76.1Confident84.4Confident39 Ų3940.9 Ų40.927%0.27321%0.213SC..SBendtrans-143.6136.1-178.4171.20000108.8Q103 L107 E108Q103-S105 VanDerWaalsContact C-N 3.32Å; Q103-S105 VanDerWaalsContact CG-O 3.26Å; Q103-S105 WeakPolarHBondContact CG-O 3.41Å; Q103-S105 PolarHBondContact NE2-O 2.95Å; Q103-S105 PolarHBondContact O-N 2.86Å; S105-L107 PolarHBondContact O-N 3.05Å; S105-E108 PolarHBondContact O-N 2.93Å
106P72.2Confident84.8Confident121 Ų12139.7 Ų39.779%0.78620%0.204SC*.THydrogen-bonded Turntrans-54.9-13.5177.6-27.835.7000115.5Q103Q103-P106 VanDerWaalsContact NE2-C 3.34Å; Q103-P106 PolarHBondContact NE2-O 3.4Å
107L74.4Confident84.9Confident167 Ų16735.1 Ų35.187%0.87419%0.185SC*.THydrogen-bonded Turntrans-93.6-10.7177.7-57178.4000114.2S105S105-L107 PolarHBondContact O-N 3.05Å
108E78.7Confident85.2Confident94 Ų9437.5 Ų37.544%0.43920%0.201SC..SBendtrans-88.8160179.4-72.3178.9-166.600112Q103 S105Q103-E108 PolarHBondContact NE2-O 3.08Å; S105-E108 PolarHBondContact O-N 2.93Å
109D84.9Confident85.3Confident70 Ų7039.3 Ų39.337%0.37421%0.214SC..PPolyproline II helixtrans-69.8150.4169.3-81.5-17.7000110.4I26 K28I26-D109 HydrophobicContact CG2-CB 3.4Å; K28-D109 WeakPolarHBondContact CA-OD1 3.25Å; K28-D109 WeakPolarHBondContact CG-OD1 3.45Å
110V85.2Confident85.3Confident0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-75130.7-179.5175.60000109.7C27 L86 L101 Q103 L112C27-V110 PolarHBondContact N-O 2.77Å; C27-V110 PolarHBondContact O-N 3.17Å; L86-V110 HydrophobicContact CD1-CB 4.5Å; L86-V110 HydrophobicContact CD1-CG1 4.1Å; L86-V110 HydrophobicContact CD1-CG2 3.55Å; L101-V110 HydrophobicContact CB-CG1 3.88Å; L101-V110 HydrophobicContact CD2-CG1 3.94Å; L101-V110 HydrophobicContact CG-CG1 4.47Å; Q103-V110 HydrophobicContact CB-CG2 4.32Å; Q103-V110 HydrophobicContact CG-CG2 4.32Å; V110-L112 HydrophobicContact CG1-CD1 4.3Å
111T89.2Confident85.3Confident18 Ų1844.4 Ų44.411%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-97.1133176.5-58.50000110S25 I26 L101 F102 Y113S25-T111 WeakPolarHBondContact O-CA 3.37Å; I26-T111 HydrophobicContact CG1-CG2 4.4Å; L101-T111 WeakPolarHBondContact CA-O 3.12Å; F102-T111 HydrophobicContact CE1-CG2 3.59Å; F102-T111 HydrophobicContact CE2-CG2 4.36Å; F102-T111 HydrophobicContact CZ-CG2 3.45Å; F102-T111 VanDerWaalsContact CZ-CG2 3.45Å; F102-T111 PolarHBondContact N-O 3.27Å; F102-T111 PolarHBondContact O-N 2.88Å; T111-Y113 HydrophobicContact CG2-CD1 3.89Å; T111-Y113 HydrophobicContact CG2-CE1 3.42Å; T111-Y113 VanDerWaalsContact CG2-CE1 3.42Å
112L89.1Confident85.4Confident0 Ų047.2 Ų47.20%026%0.261CS..EExtended strand (participates in β ladder)trans-114.6123.8179.8-66.787000109.4S24 S25 C27 L34 T37 A38 L41 V99 I100 L101 V110S24-L112 CarbonylContact C-O 3.47Å; S24-L112 VanDerWaalsContact CA-O 3.25Å; S24-L112 WeakPolarHBondContact CA-O 3.46Å; S25-L112 PolarHBondContact N-O 3.35Å; S25-L112 PolarHBondContact O-N 3.31Å; C27-L112 HydrophobicContact CB-CD1 3.94Å; L34-L112 HydrophobicContact CG-CD2 4.5Å; T37-L112 HydrophobicContact CG2-CD2 4.16Å; A38-L112 HydrophobicContact CB-CD2 4.04Å; L41-L112 HydrophobicContact CD1-CB 3.74Å; V99-L112 HydrophobicContact CG1-CB 3.96Å; V99-L112 HydrophobicContact CG1-CD2 4.13Å; V99-L112 HydrophobicContact CG1-CG 4.44Å; I100-L112 WeakPolarHBondContact O-CA 3.16Å; L101-L112 HydrophobicContact CD2-CD1 4.41Å; L101-L112 HydrophobicContact CD2-CD2 3.93Å; L101-L112 HydrophobicContact CD2-CG 3.88Å; L101-L112 HydrophobicContact CG-CD2 4.31Å; L101-L112 HydrophobicContact CG-CG 4.05Å; V110-L112 HydrophobicContact CG1-CD1 4.3Å
113Y89.6Confident85.3Confident2 Ų247.3 Ų47.31%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-110.7115.2173-70.3-7.3000110.1L76 E77 I80 V99 I100 F102 T111L76-Y113 WeakPolarHBondContact CA-OH 3.36Å; L76-Y113 HydrophobicContact CB-CE2 4.26Å; L76-Y113 HydrophobicContact CD2-CD1 3.59Å; L76-Y113 HydrophobicContact CD2-CD2 3.89Å; L76-Y113 HydrophobicContact CD2-CE1 3.37Å; L76-Y113 HydrophobicContact CD2-CE2 3.66Å; L76-Y113 HydrophobicContact CD2-CG 3.86Å; L76-Y113 VanDerWaalsContact CD2-CZ 3.42Å; L76-Y113 HydrophobicContact CG-CE2 4.5Å; E77-Y113 PolarHBondContact N-OH 2.86Å; E77-Y113 VanDerWaalsContact N-OH 3.1Å; I80-Y113 HydrophobicContact CD1-CD2 4.11Å; I80-Y113 HydrophobicContact CD1-CE2 3.81Å; V99-Y113 VanDerWaalsContact CA-O 3.29Å; V99-Y113 WeakPolarHBondContact CA-O 3.34Å; I100-Y113 PolarHBondContact N-O 2.88Å; I100-Y113 PolarHBondContact O-N 2.98Å; F102-Y113 AromaticContact CE1-CD1 3.87Å; F102-Y113 HydrophobicContact CE1-CD1 3.87Å; F102-Y113 AromaticContact CE1-CD2 3.71Å; F102-Y113 HydrophobicContact CE1-CD2 3.71Å; F102-Y113 AromaticContact CE1-CE1 3.69Å; F102-Y113 HydrophobicContact CE1-CE1 3.69Å; F102-Y113 AromaticContact CE1-CE2 3.56Å; F102-Y113 HydrophobicContact CE1-CE2 3.56Å; F102-Y113 AromaticContact CE1-CG 3.86Å; F102-Y113 HydrophobicContact CE1-CG 3.86Å; F102-Y113 AromaticContact CE1-CZ 3.53Å; F102-Y113 HydrophobicContact CZ-CD1 4.41Å; F102-Y113 HydrophobicContact CZ-CD2 4.34Å; F102-Y113 AromaticContact CZ-CE1 3.77Å; F102-Y113 HydrophobicContact CZ-CE1 3.77Å; F102-Y113 AromaticContact CZ-CE2 3.71Å; F102-Y113 HydrophobicContact CZ-CE2 3.71Å; F102-Y113 AromaticContact CZ-CZ 3.37Å; F102-Y113 WeakPolarHBondContact CZ-OH 3.33Å; T111-Y113 HydrophobicContact CG2-CD1 3.89Å; T111-Y113 HydrophobicContact CG2-CE1 3.42Å; T111-Y113 VanDerWaalsContact CG2-CE1 3.42Å
114G89.2Confident85.3Confident0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-88.4130.3173.300000111.4F21 T22 G23F21-G114 WeakPolarHBondContact CA-O 3.14Å; T22-G114 PolarHBondContact N-O 2.79Å; T22-G114 WeakPolarHBondContact OG1-CA 3.41Å; T22-G114 PolarHBondContact OG1-O 2.84Å; G23-G114 PolarHBondContact O-N 2.71Å
115M90.1Very high85.7Confident0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-143.1150.5-178.165.5-167.373.700112.7V19 K20 F21 L56 F65 A97 L98 I100 L117V19-M115 HydrophobicContact CB-CB 4.43Å; K20-M115 CarbonylContact O-C 3.53Å; K20-M115 WeakPolarHBondContact O-CA 3.07Å; F21-M115 HydrophobicContact CD1-CB 4.11Å; F21-M115 HydrophobicContact CE1-CB 4.29Å; F21-M115 HydrophobicContact CE1-CE 4.13Å; L56-M115 HydrophobicContact CD2-SD 4.49Å; F65-M115 HydrophobicContact CE1-CE 4.15Å; F65-M115 HydrophobicContact CE1-SD 4.3Å; F65-M115 HydrophobicContact CZ-CE 3.97Å; A97-M115 WeakPolarHBondContact CA-O 3.45Å; L98-M115 PolarHBondContact N-O 3.18Å; L98-M115 WeakPolarHBondContact O-CG 3.45Å; L98-M115 PolarHBondContact O-N 3.48Å; L98-M115 VanDerWaalsContact O-O 3.14Å; I100-M115 HydrophobicContact CB-CE 4.37Å; I100-M115 HydrophobicContact CD1-CE 3.62Å; I100-M115 HydrophobicContact CD1-SD 4.12Å; I100-M115 HydrophobicContact CG1-CE 3.75Å; I100-M115 HydrophobicContact CG1-SD 4.45Å; M115-L117 HydrophobicContact CG-CD1 4.33Å
116V91.2Very high86Confident42 Ų4248.1 Ų48.126%0.25527%0.266SS..EExtended strand (participates in β ladder)trans-113.1121.4170.91740000108.3V19 K20 T22 V46 K96 A97V19-V116 WeakPolarHBondContact CA-O 2.98Å; K20-V116 PolarHBondContact N-O 2.93Å; K20-V116 PolarHBondContact O-N 3.01Å; T22-V116 HydrophobicContact CG2-CG2 3.7Å; V46-V116 HydrophobicContact CG2-CB 4.32Å; V46-V116 HydrophobicContact CG2-CG2 4.01Å; K96-V116 HydrophobicContact CB-CG1 4.01Å; K96-V116 WeakPolarHBondContact O-CA 3.29Å; A97-V116 HydrophobicContact CB-CG2 4.26Å
117L91.3Very high86.5Confident3 Ų343 Ų432%0.01623%0.234CC..  trans-82.1161.9175.6-69.899.5000111.3F15 D17 V19 K96 L98 M115 S119 K122 A123 L126F15-L117 HydrophobicContact CE1-CD2 4.32Å; F15-L117 HydrophobicContact CZ-CD2 3.83Å; D17-L117 HydrophobicContact CB-CD2 4.48Å; D17-L117 WeakPolarHBondContact OD2-CA 3.44Å; D17-L117 WeakPolarHBondContact OD2-CB 3.43Å; V19-L117 HydrophobicContact CG1-CD2 4.39Å; V19-L117 HydrophobicContact CG1-CG 4Å; K96-L117 WeakPolarHBondContact O-CD1 3.41Å; K96-L117 PolarHBondContact O-N 3.26Å; L98-L117 HydrophobicContact CB-CD1 3.95Å; M115-L117 HydrophobicContact CG-CD1 4.33Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.91Å; L117-K122 HydrophobicContact CD2-CB 4.25Å; L117-A123 HydrophobicContact CB-CB 4.34Å; L117-A123 HydrophobicContact CD1-CB 3.9Å; L117-A123 HydrophobicContact CG-CB 4.48Å; L117-L126 HydrophobicContact CD1-CD2 4.38Å; L117-L126 HydrophobicContact CD2-CB 4.24Å; L117-L126 HydrophobicContact CD2-CD2 3.96Å
118S91.6Very high86.7Confident57 Ų5743 Ų4340%0.39922%0.222SC..SBendtrans-65.3-32.5-17864.40000112.6D17 K96D17-S118 VanDerWaalsContact CG-OG 3.3Å; D17-S118 WeakPolarHBondContact OD1-CB 3.48Å; D17-S118 PolarHBondContact OD1-OG 3.39Å; D17-S118 PolarHBondContact OD2-N 3.25Å; D17-S118 PolarHBondContact OD2-OG 3.48Å; K96-S118 PolarHBondContact NZ-O 3.45Å
119S90Very high86.7Confident38 Ų3839.8 Ų39.827%0.26621%0.207SC..  trans-142.1160.1176.679.80000113.7L117 K122 A123L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.91Å; S119-K122 PolarHBondContact O-N 3.42Å; S119-K122 PolarHBondContact OG-N 2.91Å; S119-K122 VanDerWaalsContact OG-N 3.16Å; S119-A123 PolarHBondContact O-N 3.46Å
120S88Confident86.4Confident49 Ų4936.9 Ų36.934%0.34319%0.192SC..Hα-helixtrans-64.8-40.3175.145.70000112P95 K122 A123 Q124P95-S120 WeakPolarHBondContact O-CA 3.24Å; S120-K122 VanDerWaalsContact C-N 3.26Å; S120-K122 PolarHBondContact O-N 3.44Å; S120-A123 PolarHBondContact O-N 2.94Å; S120-Q124 WeakPolarHBondContact O-CG 3.24Å; S120-Q124 PolarHBondContact O-N 3.41Å
121S87.1Confident85.7Confident57 Ų5739.4 Ų39.440%0.39921%0.207SC..Hα-helixtrans-56.7-40.7172.6-1770000111.7Q124 K125S121-Q124 PolarHBondContact O-N 2.86Å; S121-K125 WeakPolarHBondContact O-CB 3.38Å; S121-K125 VanDerWaalsContact O-CG 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.48Å; S121-K125 PolarHBondContact O-N 2.97Å
122K90.7Very high84.3Confident62 Ų6244.6 Ų44.627%0.2723%0.23SC..Hα-helixtrans-69.8-39.6175.7-76.1-161.6-173-166.10113F15 E16 D17 L117 S119 S120 Q124 K125 L126F15-K122 HydrophobicContact CE2-CB 3.93Å; F15-K122 HydrophobicContact CE2-CD 4.32Å; F15-K122 HydrophobicContact CE2-CG 4.06Å; F15-K122 WeakPolarHBondContact CE2-O 3.44Å; F15-K122 HydrophobicContact CZ-CB 3.94Å; F15-K122 HydrophobicContact CZ-CD 4.28Å; F15-K122 HydrophobicContact CZ-CG 4.34Å; E16-K122 PolarHBondContact O-NZ 3.44Å; D17-K122 HydrophobicContact CB-CD 3.79Å; D17-K122 WeakPolarHBondContact OD1-CD 3.32Å; D17-K122 WeakPolarHBondContact OD1-CE 3.49Å; D17-K122 IonicContact OD1-NZ 3.01Å; D17-K122 PolarHBondContact OD1-NZ 2.9Å; D17-K122 WeakPolarHBondContact OD2-CD 3.3Å; L117-K122 HydrophobicContact CD2-CB 4.25Å; S119-K122 PolarHBondContact O-N 3.42Å; S119-K122 PolarHBondContact OG-N 2.91Å; S119-K122 VanDerWaalsContact OG-N 3.16Å; S120-K122 VanDerWaalsContact C-N 3.26Å; S120-K122 PolarHBondContact O-N 3.44Å; K122-Q124 VanDerWaalsContact C-N 3.33Å; K122-Q124 PolarHBondContact O-N 2.88Å; K122-K125 PolarHBondContact O-N 3.13Å; K122-L126 PolarHBondContact O-N 2.95Å
123A82.9Confident82.4Confident4 Ų448.3 Ų48.33%0.03325%0.254CS..Hα-helixtrans-59.9-42.7173.300000112.1P95 L117 S119 S120 L126 A127P95-A123 VanDerWaalsContact O-CB 3.24Å; P95-A123 WeakPolarHBondContact O-CB 3.47Å; L117-A123 HydrophobicContact CB-CB 4.34Å; L117-A123 HydrophobicContact CD1-CB 3.9Å; L117-A123 HydrophobicContact CG-CB 4.48Å; S119-A123 PolarHBondContact O-N 3.46Å; S120-A123 PolarHBondContact O-N 2.94Å; A123-L126 PolarHBondContact O-N 2.83Å; A123-A127 WeakPolarHBondContact O-CB 3.33Å; A123-A127 PolarHBondContact O-N 2.91Å
124Q82.9Confident80.4Confident109 Ų10949.7 Ų49.751%0.50926%0.262SS..Hα-helixtrans-65.8-40.5174.4-70.6177.9-4.900112.6S120 S121 K122 A127 R128S120-Q124 WeakPolarHBondContact O-CG 3.24Å; S120-Q124 PolarHBondContact O-N 3.41Å; S121-Q124 PolarHBondContact O-N 2.86Å; K122-Q124 VanDerWaalsContact C-N 3.33Å; K122-Q124 PolarHBondContact O-N 2.88Å; Q124-A127 PolarHBondContact O-N 3.17Å; Q124-R128 VanDerWaalsContact O-CG 3.31Å; Q124-R128 WeakPolarHBondContact O-CG 3.25Å; Q124-R128 PolarHBondContact O-N 2.74Å
125K85.1Confident77.6Confident117 Ų11754.7 Ų54.751%0.50929%0.294SS..Hα-helixtrans-61.8-44.3174.5-76.1174.2-177.5-175.70111.7F15 S121 K122 R128 F129F15-K125 HydrophobicContact CD2-CB 4.02Å; F15-K125 HydrophobicContact CE2-CB 3.91Å; S121-K125 WeakPolarHBondContact O-CB 3.38Å; S121-K125 VanDerWaalsContact O-CG 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.48Å; S121-K125 PolarHBondContact O-N 2.97Å; K122-K125 PolarHBondContact O-N 3.13Å; K125-R128 PolarHBondContact O-N 3.49Å; K125-F129 WeakPolarHBondContact O-CB 3.37Å; K125-F129 PolarHBondContact O-N 2.95Å
126L83.8Confident75.2Confident0 Ų059.8 Ų59.80%032%0.318CS..Hα-helixtrans-63.5-44.8175.1-179.363.3000111.6F15 L56 L98 L117 K122 A123 R128 F129 L130F15-L126 HydrophobicContact CD1-CD1 4.44Å; F15-L126 HydrophobicContact CE1-CB 4.31Å; F15-L126 HydrophobicContact CE1-CD1 4.4Å; F15-L126 HydrophobicContact CZ-CB 4.16Å; L56-L126 HydrophobicContact CD2-CD1 4.24Å; L56-L126 HydrophobicContact CD2-CD2 3.68Å; L98-L126 HydrophobicContact CD1-CD2 4.17Å; L98-L126 HydrophobicContact CD1-CG 4.37Å; L98-L126 HydrophobicContact CD2-CD2 4.26Å; L117-L126 HydrophobicContact CD1-CD2 4.38Å; L117-L126 HydrophobicContact CD2-CB 4.24Å; L117-L126 HydrophobicContact CD2-CD2 3.96Å; K122-L126 PolarHBondContact O-N 2.95Å; A123-L126 PolarHBondContact O-N 2.83Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 2.91Å; L126-F129 HydrophobicContact CD1-CD1 4.26Å; L126-F129 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CD1-CD1 4.26Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.11Å; L126-L130 HydrophobicContact CG-CG 4.44Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.99Å
127A81.9Confident72.9Confident14 Ų1463.7 Ų63.712%0.11634%0.337CS..Hα-helixtrans-59.5-43.4176.600000111.9F88 V90 L98 A123 Q124 L130 T131F88-A127 HydrophobicContact CD2-CB 4.43Å; F88-A127 HydrophobicContact CE2-CB 3.69Å; F88-A127 HydrophobicContact CZ-CB 3.98Å; F88-A127 WeakPolarHBondContact CZ-O 3.38Å; V90-A127 HydrophobicContact CG1-CB 4.21Å; L98-A127 HydrophobicContact CD1-CB 4.25Å; A123-A127 WeakPolarHBondContact O-CB 3.33Å; A123-A127 PolarHBondContact O-N 2.91Å; Q124-A127 PolarHBondContact O-N 3.17Å; A127-L130 PolarHBondContact O-N 3.04Å; A127-T131 WeakPolarHBondContact O-CB 3.48Å; A127-T131 PolarHBondContact O-N 2.97Å; A127-T131 VanDerWaalsContact O-N 3.07Å; A127-T131 PolarHBondContact O-OG1 2.91Å
128R77.9Confident70Confident166 Ų16670.5 Ų70.563%0.62637%0.373SS*.Hα-helixtrans-60.9-49.1173.8-72173.5-171.9-172.42.4111.5Q124 K125 L126 L130 T131 E132Q124-R128 VanDerWaalsContact O-CG 3.31Å; Q124-R128 WeakPolarHBondContact O-CG 3.25Å; Q124-R128 PolarHBondContact O-N 2.74Å; K125-R128 PolarHBondContact O-N 3.49Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 2.91Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 3.48Å; R128-T131 CarbonylContact O-C 3.56Å; R128-T131 WeakPolarHBondContact O-CA 3.33Å; R128-T131 VanDerWaalsContact O-CB 3.3Å; R128-T131 WeakPolarHBondContact O-CB 3.4Å; R128-T131 PolarHBondContact O-N 2.84Å; R128-E132 PolarHBondContact O-N 3.3Å
129F78.9Confident67.2Low28 Ų2873.5 Ų73.512%0.12339%0.389CS..Hα-helixtrans-57.2-40.4177171.2-95.8000113Q14 C58 Y59 I63 L82 K125 L126 T131 E132Q14-F129 HydrophobicContact CB-CD2 4.26Å; Q14-F129 HydrophobicContact CB-CE2 3.98Å; Q14-F129 HydrophobicContact CG-CE2 4.19Å; C58-F129 HydrophobicContact CB-CD1 4.09Å; C58-F129 HydrophobicContact CB-CE1 3.6Å; C58-F129 HydrophobicContact CB-CE2 4.42Å; C58-F129 HydrophobicContact CB-CZ 3.79Å; Y59-F129 WeakPolarHBondContact O-CZ 3.37Å; I63-F129 HydrophobicContact CG2-CE1 4.11Å; L82-F129 HydrophobicContact CD1-CE1 4.32Å; L82-F129 HydrophobicContact CD1-CZ 3.91Å; L82-F129 HydrophobicContact CD2-CE1 3.9Å; L82-F129 HydrophobicContact CD2-CZ 4.26Å; K125-F129 WeakPolarHBondContact O-CB 3.37Å; K125-F129 PolarHBondContact O-N 2.95Å; L126-F129 HydrophobicContact CD1-CD1 4.26Å; L126-F129 PolarHBondContact O-N 2.86Å; F129-T131 VanDerWaalsContact C-N 3.27Å; F129-T131 PolarHBondContact O-N 2.9Å; F129-E132 PolarHBondContact O-N 2.68Å
130L78.3Confident64.3Low8 Ų881.8 Ų81.84%0.04242%0.42CS..Hα-helixtrans-74.9-14.1175-64.7176.4000113.8L82 I85 F88 I100 L126 A127 R128 Y326L82-L130 HydrophobicContact CD2-CD2 4.16Å; I85-L130 HydrophobicContact CD1-CD2 3.79Å; F88-L130 HydrophobicContact CB-CD1 4.34Å; F88-L130 HydrophobicContact CD1-CB 3.65Å; F88-L130 HydrophobicContact CD1-CD1 4Å; F88-L130 HydrophobicContact CD1-CG 4.5Å; F88-L130 HydrophobicContact CE1-CB 3.68Å; F88-L130 HydrophobicContact CG-CD1 4.27Å; I100-L130 HydrophobicContact CD1-CD1 4.17Å; I100-L130 HydrophobicContact CG1-CD1 4.22Å; L126-L130 HydrophobicContact CD1-CD1 4.26Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.11Å; L126-L130 HydrophobicContact CG-CG 4.44Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.99Å; A127-L130 PolarHBondContact O-N 3.04Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 3.48Å; L130-Y326 PolarHBondContact O-OH 2.79Å
131T70.7Confident61.5Low53 Ų5382.6 Ų82.633%0.32544%0.437SS..Hα-helixtrans-90.9-21.6176.6-56.30000112F88 A127 R128 F129 P133 V148F88-T131 WeakPolarHBondContact CZ-OG1 3.49Å; A127-T131 WeakPolarHBondContact O-CB 3.48Å; A127-T131 PolarHBondContact O-N 2.97Å; A127-T131 VanDerWaalsContact O-N 3.07Å; A127-T131 PolarHBondContact O-OG1 2.91Å; R128-T131 CarbonylContact O-C 3.56Å; R128-T131 WeakPolarHBondContact O-CA 3.33Å; R128-T131 VanDerWaalsContact O-CB 3.3Å; R128-T131 WeakPolarHBondContact O-CB 3.4Å; R128-T131 PolarHBondContact O-N 2.84Å; F129-T131 VanDerWaalsContact C-N 3.27Å; F129-T131 PolarHBondContact O-N 2.9Å; T131-P133 WeakPolarHBondContact O-CD 3.39Å; T131-V148 HydrophobicContact CG2-CG1 4.05Å
132E59.6Low58.6Low128 Ų12888.4 Ų88.460%0.59846%0.458SS*.SBendtrans-68121.6178.4-77.3173.9-158.300110.1R128 F129 N134R128-E132 PolarHBondContact O-N 3.3Å; F129-E132 PolarHBondContact O-N 2.68Å; E132-N134 PolarHBondContact O-N 2.96Å
133P50.6Low55.6Low78 Ų7892.1 Ų92.151%0.50649%0.488SS..PPolyproline II helixtrans-65.4121.7-179.126.2-33.3000109.4T131 P135T131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-P135 WeakPolarHBondContact O-CD 3.38Å; P133-P135 VanDerWaalsContact O-N 3.1Å
134N46.6Very low53.2Low30 Ų3097 Ų9716%0.1652%0.521CS..PPolyproline II helixtrans-54.7116.6-174.8-176.2-23.9000110.8E132 Q136 L137E132-N134 PolarHBondContact O-N 2.96Å; N134-Q136 PolarHBondContact O-N 2.82Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Q136 PolarHBondContact OD1-N 3.47Å; N134-L137 PolarHBondContact O-N 3.1Å
135P30.7Very low50.7Low106 Ų10694.5 Ų94.569%0.68853%0.525SS*.G310 helixtrans-65.4-13.7-17325.4-34.4000113.5P133 L137 N138P133-P135 WeakPolarHBondContact O-CD 3.38Å; P133-P135 VanDerWaalsContact O-N 3.1Å; P135-L137 PolarHBondContact O-N 3.14Å; P135-N138 VanDerWaalsContact O-CB 3.3Å; P135-N138 WeakPolarHBondContact O-CB 3.33Å; P135-N138 PolarHBondContact O-N 3.16Å
136Q40Very low48.2Very low107 Ų10791.3 Ų91.350%0.552%0.516SS..G310 helixtrans-74.1-9177.7-59.5-168.22.300114.2N134 N138N134-Q136 PolarHBondContact O-N 2.82Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Q136 PolarHBondContact OD1-N 3.47Å; Q136-N138 PolarHBondContact O-N 2.99Å
137L41.3Very low45.8Very low123 Ų123100 Ų10064%0.64455%0.554SS**G310 helixtrans-72.8-8.2167.4-81.3164.9000113.1N134 P135 V139 P146N134-L137 PolarHBondContact O-N 3.1Å; P135-L137 PolarHBondContact O-N 3.14Å; L137-V139 VanDerWaalsContact C-N 3.27Å; L137-V139 PolarHBondContact O-N 2.98Å; L137-V139 VanDerWaalsContact O-N 3.08Å; L137-P146 HydrophobicContact CD1-CG 4.03Å
138N30.6Very low43.3Very low147 Ų147101.9 Ų101.979%0.78656%0.564SS**  trans-88.650.5-175.2-141.40.2000112.8P135 Q136P135-N138 VanDerWaalsContact O-CB 3.3Å; P135-N138 WeakPolarHBondContact O-CB 3.33Å; P135-N138 PolarHBondContact O-N 3.16Å; Q136-N138 PolarHBondContact O-N 2.99Å
139V33.2Very low41.1Very low120 Ų120101 Ų10173%0.72757%0.565SS**  trans-101.392.6179.9-177.50000111.1L137L137-V139 VanDerWaalsContact C-N 3.27Å; L137-V139 PolarHBondContact O-N 2.98Å; L137-V139 VanDerWaalsContact O-N 3.08Å
140K30Very low38.7Very low211 Ų211104.1 Ų104.192%0.91759%0.591SS**SBendtrans46.579.5161.3-70.2-173.9172.9-177.70117.1
141G28.4Very low36.4Very low67 Ų67107 Ų10769%0.69161%0.608SS**SBendtrans141.9118.2156.600000113.2
142E26.2Very low34.4Very low179 Ų179107.8 Ų107.884%0.83661%0.613SS**  trans64.5141.4174.2-60.7-170.8121.900118.1S144E142-S144 PolarHBondContact O-N 3.34Å; E142-S144 VanDerWaalsContact O-N 3.14Å
143P28.4Very low32.9Very low139 Ų139104 Ų10490%0.90360%0.596SS**SBendtrans-8871.9-179.436.4-35.1000111.7
144S31.8Very low31.9Very low106 Ų106102.2 Ų102.274%0.74159%0.592SS**  trans-106.122.8175.960.70000113.9E142E142-S144 PolarHBondContact O-N 3.34Å; E142-S144 VanDerWaalsContact O-N 3.14Å
145G30.6Very low30.9Very low57 Ų57103.9 Ų103.959%0.58860%0.604SS**  trans-54140.3-177.600000113.8K147G145-K147 PolarHBondContact O-N 3.26Å
146P32.9Very low30.8Very low50 Ų50105.8 Ų105.833%0.32561%0.609SS.*  trans-64.2118.8-172.325.4-34.5000111.6L137 V148 Y326L137-P146 HydrophobicContact CD1-CG 4.03Å; P146-V148 PolarHBondContact O-N 3.16Å; P146-Y326 HydrophobicContact CB-CD1 4.27Å
147K33.7Very low30.3Very low182 Ų182107.2 Ų107.279%0.79162%0.619SS**  trans-79109175.5-68.9-176-179.5177.80110.1G145 K149G145-K147 PolarHBondContact O-N 3.26Å; K147-K149 PolarHBondContact O-N 3.17Å
148V29.7Very low29.8Very low55 Ų55112.6 Ų112.633%0.33363%0.63SS.*  trans-59.1133.9170.2-179.50000110.1T131 P146 Y326T131-V148 HydrophobicContact CG2-CG1 4.05Å; P146-V148 PolarHBondContact O-N 3.16Å; V148-Y326 HydrophobicContact CG2-CD1 4.43Å; V148-Y326 HydrophobicContact CG2-CE1 3.76Å
149K31.7Very low29.8Very low146 Ų146114.7 Ų114.764%0.63563%0.633SS**EExtended strand (participates in β ladder)trans-125.3133.5167.5-70.6179.6-177.9170.30109.4K147 Y325K147-K149 PolarHBondContact O-N 3.17Å; K149-Y325 PolarHBondContact O-N 3.05Å
150S28.4Very low29.4Very low95 Ų95112.9 Ų112.966%0.66463%0.625SS**EExtended strand (participates in β ladder)trans-92.2145.1168.4510000111.2I323S150-I323 CarbonylContact C-O 3.57Å; S150-I323 WeakPolarHBondContact CA-O 3.5Å
151V29Very low29.3Very low67 Ų67109.1 Ų109.141%0.40662%0.622SS.*EExtended strand (participates in β ladder)trans-136.5121.5179.5177.90000108.5I153 I323V151-I153 HydrophobicContact CG1-CD1 4.46Å; V151-I153 HydrophobicContact CG1-CG1 4.24Å; V151-I323 PolarHBondContact N-O 3.28Å; V151-I323 WeakPolarHBondContact O-CB 3.25Å; V151-I323 WeakPolarHBondContact O-CG1 3.49Å; V151-I323 PolarHBondContact O-N 2.68Å
152T28.4Very low29.4Very low71 Ų71114.1 Ų114.144%0.43663%0.628SS.*EExtended strand (participates in β ladder)trans-94.2136.5179.9-55.20000111.1E320 F321 S322T152-E320 HydrophobicContact CG2-CB 3.7Å; T152-E320 HydrophobicContact CG2-CG 4.18Å; T152-F321 CarbonylContact C-O 3.46Å; T152-F321 WeakPolarHBondContact CA-O 2.8Å; T152-F321 WeakPolarHBondContact CG2-O 3.42Å; T152-S322 PolarHBondContact OG1-OG 2.97Å
153I29.3Very low29.5Very low48 Ų48110.6 Ų110.625%0.24662%0.623CS.*  trans-133116.2-178.5-57.8-165.6000110.6K35 V151 F321 I323K35-I153 HydrophobicContact CD-CD1 3.42Å; K35-I153 VanDerWaalsContact CD-CD1 3.42Å; K35-I153 HydrophobicContact CD-CG2 4.44Å; K35-I153 HydrophobicContact CG-CD1 4.17Å; V151-I153 HydrophobicContact CG1-CD1 4.46Å; V151-I153 HydrophobicContact CG1-CG1 4.24Å; I153-F321 PolarHBondContact N-O 2.91Å; I153-F321 PolarHBondContact O-N 2.88Å; I153-I323 HydrophobicContact CB-CD1 4.21Å; I153-I323 HydrophobicContact CD1-CD1 3.36Å; I153-I323 HydrophobicContact CG1-CD1 3.6Å
154G28.6Very low29.3Very low40 Ų40110.1 Ų110.141%0.41262%0.621SS.*  trans-88.7164.6167.300000112.7E319G154-E319 WeakPolarHBondContact CA-O 3.42Å
155P26.6Very low29.2Very low65 Ų65115.7 Ų115.742%0.42263%0.627SS.*  trans-70.5147.5-177.326.8-31.7000113.1I157 E319P155-I157 PolarHBondContact O-N 3.27Å; P155-I157 VanDerWaalsContact O-N 3.13Å; P155-E319 HydrophobicContact CG-CB 3.85Å; P155-E319 HydrophobicContact CG-CG 4.37Å; P155-E319 WeakPolarHBondContact CG-OE2 3.5Å
156N28.1Very low29.2Very low147 Ų147122.3 Ų122.379%0.78664%0.64SS**  trans-8391.1-176-163.4-10.2000110.5R158N156-R158 PolarHBondContact O-N 2.83Å
157I29.4Very low28.7Very low137 Ų137129.3 Ų129.370%0.70367%0.669SS**  trans-66.293.5178-56.6177.3000109.7P155 K159P155-I157 PolarHBondContact O-N 3.27Å; P155-I157 VanDerWaalsContact O-N 3.13Å; I157-K159 PolarHBondContact O-N 3.44Å
158R30.5Very low28.6Very low235 Ų235125.4 Ų125.489%0.88766%0.664SS**  trans-61.2102163.7-74.2-173.3178-177.82.5108.5N156 S160N156-R158 PolarHBondContact O-N 2.83Å; R158-S160 PolarHBondContact O-N 2.98Å
159K30.1Very low28.5Very low192 Ų192131 Ų13184%0.83569%0.692SS**  trans-60.1123.5173.2-70-176.7177.41800109.6I157I157-K159 PolarHBondContact O-N 3.44Å
160S26Very low28.3Very low81 Ų81128 Ų12857%0.56670%0.702SS**  trans-54137.8166.7177.70000110R158 E162R158-S160 PolarHBondContact O-N 2.98Å; S160-E162 PolarHBondContact O-N 3.13Å
161P27.2Very low28.1Very low132 Ų132129.8 Ų129.886%0.85771%0.709SS**SBendtrans-78.444.3-178.634.9-37.2000113.1
162E30.4Very low28.1Very low173 Ų173135.1 Ų135.181%0.80873%0.734SS**  trans-133.567.9-179.4-69.3-166.5155.200112.4S160S160-E162 PolarHBondContact O-N 3.13Å
163S29.7Very low28.2Very low105 Ų105140.1 Ų140.173%0.73475%0.75SS**  trans-156.749.6161.644.20000112.3Y165S163-Y165 VanDerWaalsContact C-N 3.35Å; S163-Y165 PolarHBondContact O-N 3.22Å; S163-Y165 VanDerWaalsContact O-N 3.17Å
164C23.2Very low28Very low128 Ų128143.5 Ų143.587%0.86577%0.773SS**  trans-84.977.7169.5-164.30000110.2
165Y29.1Very low27.9Very low223 Ų223150.6 Ų150.688%0.87580%0.795SS**  trans-118.2101.9170.2-79.5-72.1000111.6S163S163-Y165 VanDerWaalsContact C-N 3.35Å; S163-Y165 PolarHBondContact O-N 3.22Å; S163-Y165 VanDerWaalsContact O-N 3.17Å
166K30.4Very low27.9Very low196 Ų196155.8 Ų155.885%0.85281%0.814SS**  trans-3.9117.8163.4-61-179.8-179.9-179.30116.8
167E23.9Very low27.8Very low198 Ų198155.9 Ų155.993%0.92582%0.82SS**  trans-68.8129159.4-164.7168.9-137.100110
168S30.3Very low27.6Very low100 Ų100156 Ų15670%0.69982%0.821SS**  trans-152.9101.5165.964.60000111.9
169N28Very low27.6Very low171 Ų171151.7 Ų151.791%0.91482%0.816SS**  trans44.3108.9149.3-55.9-15.8000119.4
170G27.8Very low27.6Very low83 Ų83148.7 Ų148.786%0.85681%0.813SS**  trans-179.1104163.600000113.8
171V24.2Very low27.5Very low133 Ų133153 Ų15381%0.80683%0.829SS**  trans-86135.6179.2172.40000111.2
172L29.7Very low28Very low179 Ų179151.8 Ų151.894%0.93782%0.821SS**  trans-145.4157154.7-103.1169.7000111.3
173K29.1Very low28Very low176 Ų176149.1 Ų149.177%0.76582%0.819SS**  trans-119137.1-154.6-93.8179.7173179.40114.5
174T25.3Very low27.9Very low119 Ų119150.8 Ų150.873%0.7383%0.825SS**  trans36.6134.4139.958.90000122.6
175H27.9Very low28Very low189 Ų189147.9 Ų147.988%0.87582%0.816SS**  -154.5137.4122.1-119.4-78.8000112.2
176E24.9Very low27.9Very low174 Ų174144.9 Ų144.981%0.81382%0.816SS**  trans-107.8156.7172-75.3176.2142.100110.6
177V27.8Very low27.6Very low150 Ų150145.2 Ų145.291%0.90982%0.817SS**  trans-137.1137153.6-179.60000108.3
178L24.5Very low27.7Very low138 Ų138145.7 Ų145.772%0.72382%0.816SS**  trans-115153.1-167.1-165.997.8000110.7
179N30.3Very low27.4Very low146 Ų146150.7 Ų150.778%0.78182%0.82SS**  trans-168.7104.7141.3-97.8-21.2000115.5
180T29Very low27.3Very low129 Ų129148.4 Ų148.479%0.79182%0.817SS**  trans75.7157.2144.960.80000121.6
181L25.6Very low27.1Very low170 Ų170150.2 Ų150.289%0.8980%0.803SS**  trans-131.5166.3-140.9-82.5160.8000116.3
182P37.1Very low27.3Very low108 Ų108148.9 Ų148.970%0.70180%0.795SS**  trans-97.1175.217941.9-37.1000113.6
183P30.7Very low27.1Very low117 Ų117145.3 Ų145.376%0.7678%0.781SS**  -146.2-166.797.335.9-14.8000111.8
184T27.2Very low27.1Very low140 Ų140146.2 Ų146.286%0.85978%0.78SS**  cis-160.7158.512-27.10000110.8
185G24.7Very low27.2Very low66 Ų66147.3 Ų147.368%0.6878%0.781SS**  trans135.9122.1153.600000118.5
186N27.9Very low27.3Very low161 Ų161147.9 Ų147.986%0.86178%0.781SS**  trans70.2135.5165.6-64.5-20.6000120.6
187K24.6Very low27.6Very low203 Ų203148 Ų14888%0.88378%0.784SS**  trans-88.3134.4-171.2-58.5164.7179.6171.90111
188F24.8Very low27.6Very low207 Ų207146.9 Ų146.991%0.90878%0.78SS**  trans-123.6117.4158-79.9-81.5000110.2
189R24Very low28Very low205 Ų205143.6 Ų143.677%0.77478%0.779SS**  trans-102.9109.2179.2-178.7-176.1-179-158.10108.5E191R189-E191 HydrophobicContact CG-CB 4.32Å; R189-E191 HydrophobicContact CG-CG 4.42Å; R189-E191 IonicContact CZ-OE2 3.17Å; R189-E191 IonicContact NE-OE2 2.78Å; R189-E191 PolarHBondContact NE-OE2 2.95Å; R189-E191 IonicContact NH2-OE2 2.71Å; R189-E191 PolarHBondContact NH2-OE2 2.93Å; R189-E191 PolarHBondContact O-N 2.85Å
190S26.7Very low27.9Very low123 Ų123146.6 Ų146.686%0.8679%0.785SS**  trans-97.167173.861.20000110.9
191E23.9Very low28.1Very low121 Ų121149.3 Ų149.357%0.56579%0.789SS**  trans-124.2104.9168.3-69.7-178.2142.800108.2R189R189-E191 HydrophobicContact CG-CB 4.32Å; R189-E191 HydrophobicContact CG-CG 4.42Å; R189-E191 IonicContact CZ-OE2 3.17Å; R189-E191 IonicContact NE-OE2 2.78Å; R189-E191 PolarHBondContact NE-OE2 2.95Å; R189-E191 IonicContact NH2-OE2 2.71Å; R189-E191 PolarHBondContact NH2-OE2 2.93Å; R189-E191 PolarHBondContact O-N 2.85Å
192V27.9Very low28.1Very low105 Ų105151.2 Ų151.264%0.63679%0.79SS**  trans-113.184.2162.1-1760000107.9W194V192-W194 HydrophobicContact CG1-CD2 3.99Å; V192-W194 HydrophobicContact CG1-CG 4.21Å; V192-W194 HydrophobicContact CG1-CZ2 3.95Å; V192-W194 PolarHBondContact O-N 2.93Å
193T26.3Very low27.9Very low104 Ų104153.8 Ų153.864%0.63879%0.793SS**  trans-75.6106.4161.6-450000107.2N195T193-N195 VanDerWaalsContact C-N 3.28Å; T193-N195 PolarHBondContact O-N 2.92Å
194W28.7Very low27.7Very low196 Ų196157.5 Ų157.574%0.74280%0.797SS**  trans-69.386.4175.8-70.998000110.3V192V192-W194 HydrophobicContact CG1-CD2 3.99Å; V192-W194 HydrophobicContact CG1-CG 4.21Å; V192-W194 HydrophobicContact CG1-CZ2 3.95Å; V192-W194 PolarHBondContact O-N 2.93Å
195N27.6Very low27.8Very low141 Ų141159.5 Ų159.575%0.75479%0.794SS**PPolyproline II helixtrans-72.2139175.3-80.9-32000110.8T193T193-N195 VanDerWaalsContact C-N 3.28Å; T193-N195 PolarHBondContact O-N 2.92Å
196K29.2Very low28Very low202 Ų202161.6 Ų161.688%0.87880%0.796SS**PPolyproline II helixtrans-59.6134-179.9-68.2173.8175.3175.70111.7P198K196-P198 WeakPolarHBondContact O-CD 3.48Å
197M31.3Very low27.9Very low175 Ų175160.5 Ų160.586%0.86280%0.798SS**PPolyproline II helixtrans-53.5124.1159.3-84.4-91.911400110.8
198P28.6Very low28.1Very low127 Ų127154.2 Ų154.283%0.82579%0.79SS**  trans-94.695.5172.333.8-27.7000110.4K196K196-P198 WeakPolarHBondContact O-CD 3.48Å
199G31.5Very low28.1Very low69 Ų69150.1 Ų150.171%0.71179%0.787SS**  trans-162.980.9-171.700000117.3
200K29.7Very low28.3Very low209 Ų209146.4 Ų146.491%0.90979%0.787SS**  trans29.996.2151.4-59.6177.7-177.7173.40118.7
201Q32.1Very low28.3Very low187 Ų187146.2 Ų146.287%0.87478%0.781SS**  -137.4136.6122.3-76.8-158.2-4.500109.8
202K26.6Very low28.4Very low210 Ų210147.1 Ų147.191%0.91380%0.795SS**  trans-99.5105.8173.5-80.8179175.1174.10108
203E31.6Very low28.2Very low162 Ų162149.4 Ų149.476%0.75780%0.798SS**  trans-115.7128.2155.6-71.7-160.2137.500109.6
204K26.7Very low28.4Very low194 Ų194153.6 Ų153.684%0.84381%0.808SS**  trans-97.5108.8177.7-70.4-179.6176.4-178.90108.4
205F28.6Very low28.4Very low182 Ų182151 Ų15180%0.79881%0.809SS**  trans-133.4151.2159.2-77.6-73.1000110.1
206P29.3Very low28.2Very low111 Ų111148 Ų14872%0.72181%0.811SS**  trans-84.1158.1-14832.1-37.2000114.3G208P206-G208 PolarHBondContact O-N 2.87Å
207P26Very low28.1Very low138 Ų138150.3 Ų150.390%0.89681%0.814SS**  trans-73.8121.417031.4-32.2000110
208G28.5Very low27.8Very low70 Ų70149.7 Ų149.772%0.72281%0.814SS**  trans-163.4113178.900000114P206P206-G208 PolarHBondContact O-N 2.87Å
209S26Very low28Very low122 Ų122150 Ų15085%0.85382%0.815SS**  trans59.9134.1167.6-79.20000118.3
210T27.9Very low27.7Very low126 Ų126156.4 Ų156.477%0.77382%0.818SS**  cis-130.712715.322.10000112.3
211T26Very low27.8Very low120 Ų120155 Ų15574%0.73682%0.815SS**  trans-104125.3161.8-48.30000108
212V27.3Very low27.8Very low139 Ų139151.7 Ų151.784%0.84280%0.803SS**  trans-126.283164.2-173.40000108.7
213H23.7Very low28.1Very low154 Ų154147.9 Ų147.971%0.71379%0.793SS**  trans-83.7140.9147.3-73.2-83.6000107.3
214F29.6Very low28.2Very low192 Ų192147.2 Ų147.284%0.84279%0.79SS**  trans-165.1118.1131.1-103.3-65.3000111.7
215N27.9Very low28.3Very low142 Ų142144.1 Ų144.176%0.75978%0.781SS**  trans13.4132.3147.4-56.2-16000119.6
216G23.7Very low28.7Very low78 Ų78144 Ų14480%0.80478%0.781SS**  trans-74148.4165.500000113.5
217R27.6Very low28.7Very low249 Ų249149 Ų14994%0.9479%0.792SS**  trans-158.1145.6143-107.9-180-173.8-132.52109
218L24.6Very low29Very low163 Ų163146.4 Ų146.485%0.85379%0.789SS**  trans-64.4152.3175.8-70.3153.6000111.4
219P33.5Very low29.1Very low133 Ų133154.1 Ų154.186%0.86480%0.797SS**  -104.6141.1128.2-10.828.5000110.9
220R25.2Very low29.4Very low204 Ų204155.8 Ų155.877%0.7779%0.791SS**  trans-120.8133.8174.9-179.9-163-164-161.66.4106.6
221E32.3Very low29.5Very low180 Ų180159.4 Ų159.484%0.84179%0.79SS**  trans171.5100.1154.3-98.4158.3-150.100105.6
222D31.1Very low29.8Very low116 Ų116161 Ų16162%0.6279%0.793SS**  75.498.983.7-72.9-31.6000113
223N33.6Very low30.2Very low131 Ų131159.6 Ų159.670%0.70179%0.787SS**  -171.5114.7104.3-96.8-62.1000114.2
224Q33.2Very low30.5Very low148 Ų148160.9 Ų160.969%0.69279%0.793SS**  57.4116.8128.1-68.8-169.774.300123.1
225L29.8Very low30.7Very low128 Ų128158.7 Ų158.767%0.6780%0.795SS**  trans69.2149.5130.8-53.2173.6000117.7
226K35.7Very low30.9Very low180 Ų180161 Ų16178%0.78380%0.798SS**  cis-156.91640.2-128160.4-177.4169.20110.1
227F29.7Very low31.4Very low217 Ų217163 Ų16395%0.95280%0.8SS**  trans-55.4151.3175-70.7-106.9000115.1
228G31.5Very low31.6Very low82 Ų82156.6 Ų156.685%0.84579%0.789SS**  trans-171.6127.8163.500000113.6
229R31Very low32.2Very low232 Ų232158 Ų15888%0.87579%0.791SS**  trans-100.2171.8179.5-69.5174.4159.2-173.2-4.8111.9
230Q32.4Very low32Very low158 Ų158158.5 Ų158.574%0.73879%0.785SS**  trans78.6152.8158.7-56.5178.510.900116.8
231R30.3Very low32.6Very low201 Ų201157.2 Ų157.276%0.75879%0.79SS**  cis-169.3140.1-24.8-109.7179.4178.4177.4-0.1108.2
232I32.4Very low32.6Very low155 Ų155155 Ų15580%0.79578%0.784SS**  trans72.1152.4142.8-69.3173.2000118.4
233P35.6Very low32.7Very low109 Ų109154.8 Ų154.871%0.70879%0.792SS**  trans-130.5-162.8-145.345.5-30.1000116.7
234Q30.5Very low32.7Very low181 Ų181159.4 Ų159.485%0.84680%0.799SS**  trans94129.6171.3-58.2-164.3-4.800117.4
235V33.6Very low32.6Very low146 Ų146160.1 Ų160.189%0.88580%0.803SS**  -157.6148.2117.6163.60000108.3
236K31Very low32.8Very low189 Ų189157.8 Ų157.882%0.82281%0.81SS**  trans-85.8157.9178-61.7168.6176.1173.80112.2
237S35Very low32.7Very low122 Ų122157.5 Ų157.585%0.85381%0.813SS**  trans-152.8152.4135.5-162.50000111.8
238T32.4Very low33.2Very low114 Ų114153.7 Ų153.770%0.69980%0.803SS**  trans-123.7146.6-173.647.80000109.9
239H36.5Very low33.5Very low193 Ų193155.8 Ų155.889%0.89479%0.794SS**  trans-159.5131.9142.3-105.1-70.8000112.1
240L29.6Very low33.8Very low143 Ų143151.1 Ų151.175%0.74979%0.787SS**  trans-101.7147.9168.2-94.8156.6000108.7
241M37.4Very low33.9Very low177 Ų177151.9 Ų151.987%0.87279%0.79SS**  trans-160.5164.2142.9-101.1-46.8116.100111.7
242N33.2Very low34.4Very low133 Ų133146.8 Ų146.871%0.71178%0.783SS**  trans-108.3159.6-153.7-91.5-21.5000116
243S32.1Very low34.5Very low111 Ų111149.2 Ų149.278%0.77678%0.784SS**  trans52.9135.4142.6-54.90000121.6
244R34.3Very low34.4Very low228 Ų228151.3 Ų151.386%0.8679%0.789SS**  -177.6169.788.4-156.8159-174.8178.21.7113.5
245E31.7Very low34.5Very low164 Ų164146.4 Ų146.477%0.76679%0.787SS**  trans-74.3164.8-168-53129.9121.300116.6
246G34Very low34.3Very low79 Ų79144.9 Ų144.981%0.81478%0.783SS**  trans-171.7104.7163.900000113.3
247M33.3Very low34.4Very low173 Ų173143.8 Ų143.885%0.85279%0.786SS**  trans-84.1154.6175.7-67.1179.3160.100112.4
248N39.3Very low34.1Very low138 Ų138145.9 Ų145.974%0.73879%0.786SS**  165.5133.1115.1-86.1-23.2000117
249N38.1Very low34.1Very low125 Ų125146.1 Ų146.167%0.66879%0.793SS**  trans73.498133.9-56.4-14.4000124.5
250N36.5Very low33.8Very low134 Ų134146 Ų14672%0.71779%0.789SS**  61.3112.1110.7-64.7-7.9000124.9
251H35.3Very low33.7Very low174 Ų174146.8 Ų146.881%0.80679%0.794SS**  70.1167.6122.6-81.8-42.3000121.5
252P39.9Very low33.2Very low94 Ų94143.7 Ų143.761%0.6179%0.789SS**  -137.6179.8-7736.1-14000114.7
253Y36.1Very low32.8Very low206 Ų206142.1 Ų142.181%0.80879%0.789SS**  trans153.6142.1132.6-101.4-82000116.3
254N33.6Very low32.6Very low153 Ų153146.8 Ų146.882%0.81880%0.795SS**  trans54.2135.2151.4-79.9-10.1000123.3
255G31.6Very low32.1Very low79 Ų79146.5 Ų146.581%0.81480%0.796SS**  trans147.979.6154.500000115.3
256S29.3Very low31.9Very low114 Ų114144.3 Ų144.380%0.79780%0.796SS**  trans-73136.6178.453.30000114.1
257N33.4Very low31.6Very low166 Ų166149.3 Ų149.389%0.88880%0.798SS**  trans-158.1150.4139.9-113-41.2000113.8
258I28.1Very low31.3Very low165 Ų165146 Ų14685%0.84679%0.792SS**  trans-97.6125.2-165.6-64.2160.9000110.7
259S33.5Very low30.8Very low120 Ų120144.4 Ų144.484%0.83980%0.798SS**  trans-155.7141.7150.353.20000115.2
260K30.1Very low30.2Very low190 Ų190148.5 Ų148.583%0.82681%0.81SS**  trans-44.1145.8-177.1-74.2168.3178.6176.40119.2
261L26.4Very low29.7Very low160 Ų160145.4 Ų145.484%0.83881%0.81SS**  trans55.7109.8146.8-79.288.5000119.7
262S26.7Very low29.2Very low112 Ų112146.2 Ų146.278%0.78381%0.813SS**  -169.5159.7122.642.20000112.4
263S25.9Very low28.5Very low99 Ų99147 Ų14769%0.69282%0.816SS**  trans49.6108.8165.260.30000120
264F28.3Very low27.8Very low209 Ų209142.2 Ų142.292%0.91781%0.813SS**  trans-128.4101.1143.2-88.7-81.3000109.4
265Y22.4Very low27.5Very low223 Ų223144.1 Ų144.188%0.87581%0.814SS**  trans-90.7146.2147.6-85.6-86.7000107.4
266P28.6Very low27.2Very low118 Ų118151.6 Ų151.677%0.76682%0.818SS**  trans-118.4149.414832.4-22.6000112.2
267E27.7Very low26.9Very low183 Ų183155.4 Ų155.486%0.85582%0.823SS**  trans-61.5155.4-170.3-69.3158.3105.700116.9
268S25.6Very low26.5Very low105 Ų105152.8 Ų152.873%0.73482%0.818SS**  trans2.4127.5154.762.60000120.5
269A28.8Very low26.3Very low104 Ų104151.7 Ų151.786%0.8682%0.819SS**  trans-116.9106.7148.200000110.1
270K25.5Very low26.1Very low211 Ų211151.1 Ų151.192%0.91782%0.821SS**  trans-79.3122.7166.6-68.9173.5179.5171.10108
271G26.9Very low26Very low69 Ų69145.8 Ų145.871%0.71182%0.82SS**  trans-169.755.6-174.700000114.4V273G271-V273 PolarHBondContact O-N 2.77Å
272H24Very low25.8Very low190 Ų190149 Ų14988%0.8882%0.823SS**  trans-69.3119.9172.4-128.9-78.7000109.4
273V25Very low26.1Very low111 Ų111150.5 Ų150.567%0.67382%0.822SS**  trans-119.2117169.3-177.60000108.4G271 F275G271-V273 PolarHBondContact O-N 2.77Å; V273-F275 HydrophobicContact CG1-CD2 4.06Å; V273-F275 HydrophobicContact CG1-CE2 3.46Å; V273-F275 VanDerWaalsContact CG1-CE2 3.46Å; V273-F275 HydrophobicContact CG1-CZ 3.8Å
274S23.1Very low26.2Very low106 Ų106152.1 Ų152.174%0.74182%0.823SS**  trans-116.4129.2173.152.90000109.5
275F25.6Very low26.4Very low192 Ų192150.4 Ų150.484%0.84282%0.815SS**PPolyproline II helixtrans-99.9121.4173.1-72.7-77.3000109.9V273V273-F275 HydrophobicContact CG1-CD2 4.06Å; V273-F275 HydrophobicContact CG1-CE2 3.46Å; V273-F275 VanDerWaalsContact CG1-CE2 3.46Å; V273-F275 HydrophobicContact CG1-CZ 3.8Å
276R25.3Very low26.7Very low236 Ų236147.8 Ų147.889%0.89181%0.813SS**PPolyproline II helixtrans-77.2134.2167.2-95.4-175.1168.2-163.2-2.8109.4
277Q23.1Very low26.9Very low194 Ų194148.8 Ų148.891%0.90781%0.811SS**PPolyproline II helixtrans-77.1129.5166.6-143.8171.81500108.7
278S25.5Very low27.2Very low112 Ų112146.7 Ų146.778%0.78381%0.806SS**  trans-126.1117.2176.2-70.30000109.8
279T24.1Very low27.4Very low141 Ų141151.4 Ų151.487%0.86581%0.809SS**  trans-95.1109.8-179.847.50000111.8
280A29.5Very low27.5Very low108 Ų108151.6 Ų151.689%0.89380%0.804SS**  trans-172.2144.716000000107.8
281G27Very low27.8Very low78 Ų78148.8 Ų148.880%0.80480%0.799SS**  cis-170.4161.1-3.900000109.3
282Y24.1Very low27.9Very low227 Ų227149 Ų14989%0.8980%0.802SS**  trans-77.4174.3-175-121.9-106.4000113.8
283N32.4Very low28.3Very low145 Ų145145.4 Ų145.478%0.77580%0.795SS**  trans100.7108.5168.4-48.4-29.6000114.2
284D27.6Very low28.5Very low133 Ų133147 Ų14771%0.71180%0.799SS**  82.110751.7-174.737.8000114
285K32.4Very low29Very low173 Ų173149.6 Ų149.675%0.75280%0.802SS**  trans165.6150.1132.7-91.9162.9-171.9178.40116.6
286M29.7Very low29Very low168 Ų168147.4 Ų147.483%0.82880%0.8SS**  trans72.1116.3160.3-68.4162.452.400118
287L31.6Very low29.2Very low139 Ų139140.8 Ų140.873%0.72879%0.789SS**  cis77.3118.940.3-76.4164.8000117.3
288N33.4Very low29.4Very low139 Ų139140 Ų14074%0.74379%0.785SS**  trans135.8100.5144.8-68.4-20.1000112.1
289Y30.3Very low29.6Very low203 Ų203146.2 Ų146.280%0.79679%0.792SS**  63.3114.682.9-84.6-75000115.9
290S30.5Very low29.7Very low108 Ų108144.5 Ų144.576%0.75579%0.792SS**  174.2115.9113-167.90000115.4
291N31.5Very low29.8Very low152 Ų152144.5 Ų144.581%0.81379%0.785SS**  trans17.8136.4139.3-51.6-18.6000123.5
292G29.1Very low29.8Very low75 Ų75150.2 Ų150.277%0.77379%0.791SS**  trans168119.9155.800000114.7
293P33.8Very low30.2Very low113 Ų113148.1 Ų148.173%0.73479%0.789SS**  trans-132166.4-157.344.5-30.7000119.1
294I29Very low30Very low146 Ų146145.9 Ų145.975%0.74979%0.785SS**  trans71.1135.8161-55.7147.4000113.8
295I32.8Very low30Very low159 Ų159143.4 Ų143.482%0.81579%0.791SS**  -153153.768.6-65.8158.5000111.6
296N26.5Very low29.8Very low147 Ų147143.7 Ų143.779%0.78679%0.792SS**  trans-75.2152-175.2-40.3-58.4000115.7
297S29.8Very low29.8Very low96 Ų96143.2 Ų143.267%0.67179%0.793SS**  -171.4136.2119.1-146.30000114.1
298E27.4Very low29.7Very low177 Ų177142 Ų14283%0.82779%0.792SS**  trans38.495.3145.1-61.9164.7135.300121.6
299R28.8Very low29.5Very low244 Ų244141.1 Ų141.192%0.92179%0.793SS**  -167.3149.3121.2-119.7174.1169.8126.6-3.9112.6
300A26Very low29.4Very low105 Ų105140.3 Ų140.387%0.86879%0.794SS**  trans-73.5133.4172.100000111.1
301S31.4Very low29.5Very low107 Ų107141 Ų14175%0.74880%0.797SS**  trans-153131.2171.449.10000110.4E303S301-E303 PolarHBondContact O-N 3.45Å; S301-E303 VanDerWaalsContact O-N 3.14Å
302E28.9Very low29.4Very low199 Ų199143.5 Ų143.593%0.9380%0.796SS**  trans-80.780.9-173.8-58.7172.5139.300111.8
303E31.3Very low29.6Very low182 Ų182143.4 Ų143.485%0.8578%0.778SS**  trans-158.3150.7170.2-119.9164.6-177.600111.8S301S301-E303 PolarHBondContact O-N 3.45Å; S301-E303 VanDerWaalsContact O-N 3.14Å
304S28.8Very low29.5Very low99 Ų99142.9 Ų142.969%0.69278%0.775SS**  trans96.242.4-177.576.90000119.1F306S304-F306 PolarHBondContact O-N 2.95Å; S304-F306 VanDerWaalsContact O-N 3.12Å
305G27.5Very low29.6Very low80 Ų80141.8 Ų141.883%0.82577%0.77SS**  trans-6899.5146.700000109D307G305-D307 PolarHBondContact O-N 3.25Å
306F27.7Very low29.7Very low180 Ų180140.5 Ų140.579%0.78976%0.761SS**  trans-63.7105.6177.4-86.1-100.5000110.1S304 T308S304-F306 PolarHBondContact O-N 2.95Å; S304-F306 VanDerWaalsContact O-N 3.12Å; F306-T308 PolarHBondContact O-N 2.91Å
307D31Very low29.8Very low158 Ų158141 Ų14185%0.84576%0.763SS**  trans-60.199.5159.3-95.9-28.9000107.3G305 P309G305-D307 PolarHBondContact O-N 3.25Å; D307-P309 WeakPolarHBondContact O-CD 3.49Å
308T28.1Very low30Very low113 Ų113141.2 Ų141.269%0.69376%0.756SS**  trans-68.1112.4165.446.50000107.5F306 F310F306-T308 PolarHBondContact O-N 2.91Å; T308-F310 PolarHBondContact O-N 3.45Å; T308-F310 VanDerWaalsContact O-N 3.12Å
309P30.6Very low30.1Very low120 Ų120136.8 Ų136.878%0.77974%0.735SS**  trans-66.6118.9176.828.2-32.4000107.9D307D307-P309 WeakPolarHBondContact O-CD 3.49Å
310F27.6Very low30.2Very low186 Ų186130.5 Ų130.582%0.81672%0.716SS**  trans-52.3140.1161.6-93-98000108.3T308 Y312T308-F310 PolarHBondContact O-N 3.45Å; T308-F310 VanDerWaalsContact O-N 3.12Å; F310-Y312 PolarHBondContact O-N 3.31Å
311P31.8Very low30.2Very low124 Ų124127 Ų12781%0.80568%0.682SS**  trans-61.9102.4-179.825.3-33.5000109.4D313P311-D313 PolarHBondContact O-N 2.97Å
312Y29.4Very low30.1Very low203 Ų203124.3 Ų124.380%0.79666%0.662SS**  trans-73.6106.4180-170.5-84.6000108.5F310 P314F310-Y312 PolarHBondContact O-N 3.31Å; Y312-P314 HydrophobicContact CE1-CB 4.44Å; Y312-P314 WeakPolarHBondContact O-CD 3.32Å
313D33.5Very low30.1Very low73 Ų73115 Ų11539%0.3962%0.619SS.*  trans-75.9112.6166.6-174.1-12000108.5P311 N315 E316P311-D313 PolarHBondContact O-N 2.97Å; D313-N315 PolarHBondContact O-N 3.4Å; D313-N315 VanDerWaalsContact OD1-CB 3.32Å; D313-N315 WeakPolarHBondContact OD1-CB 3.22Å; D313-N315 PolarHBondContact OD1-N 3.28Å; D313-N315 PolarHBondContact OD1-ND2 3.49Å; D313-E316 HydrophobicContact CB-CB 4.39Å; D313-E316 HydrophobicContact CB-CG 4.02Å; D313-E316 PolarHBondContact O-N 2.66Å; D313-E316 VanDerWaalsContact O-N 3.11Å
314P32.8Very low29.9Very low103 Ų103106.8 Ų106.867%0.66958%0.583SS**THydrogen-bonded Turntrans-65.9-2.6178.330.1-36.5000114Y312Y312-P314 HydrophobicContact CE1-CB 4.44Å; Y312-P314 WeakPolarHBondContact O-CD 3.32Å
315N31.2Very low29.9Very low123 Ų123105.6 Ų105.666%0.65856%0.564SS**THydrogen-bonded Turntrans-99.3-9.2174.7-51.8-75.9000113.9D313 N317D313-N315 PolarHBondContact O-N 3.4Å; D313-N315 VanDerWaalsContact OD1-CB 3.32Å; D313-N315 WeakPolarHBondContact OD1-CB 3.22Å; D313-N315 PolarHBondContact OD1-N 3.28Å; D313-N315 PolarHBondContact OD1-ND2 3.49Å; N315-N317 PolarHBondContact O-N 2.94Å
316E34.3Very low29.9Very low131 Ų131104.9 Ų104.961%0.61254%0.537SS*.  trans-76.987.1177.3-81.1-167.4149.600112.1D313 I318D313-E316 HydrophobicContact CB-CB 4.39Å; D313-E316 HydrophobicContact CB-CG 4.02Å; D313-E316 PolarHBondContact O-N 2.66Å; D313-E316 VanDerWaalsContact O-N 3.11Å; E316-I318 VanDerWaalsContact C-N 3.33Å; E316-I318 HydrophobicContact CB-CD1 4.49Å; E316-I318 HydrophobicContact CB-CG1 4.45Å; E316-I318 PolarHBondContact O-N 3.2Å
317N28.7Very low30Very low158 Ų158101 Ų10185%0.84553%0.525SS*.  trans-7379.7169.6-73.8-61.1000111.3N315N315-N317 PolarHBondContact O-N 2.94Å
318I33.8Very low29.9Very low101 Ų10199.7 Ų99.752%0.51852%0.523SS..  trans-116.1113.4176.5-51.9-178.3000110.5E316 E320E316-I318 VanDerWaalsContact C-N 3.33Å; E316-I318 HydrophobicContact CB-CD1 4.49Å; E316-I318 HydrophobicContact CB-CG1 4.45Å; E316-I318 PolarHBondContact O-N 3.2Å; I318-E320 HydrophobicContact CG2-CG 4.12Å
319E28.3Very low30Very low84 Ų8498.7 Ų98.739%0.39351%0.51SS..  trans-116.184.6-177.3-63.2-161.3116.800110.8K93 G154 P155K93-E319 VanDerWaalsContact NZ-CG 3.34Å; K93-E319 IonicContact NZ-OE1 3.31Å; K93-E319 PolarHBondContact NZ-OE1 2.95Å; G154-E319 WeakPolarHBondContact CA-O 3.42Å; P155-E319 HydrophobicContact CG-CB 3.85Å; P155-E319 HydrophobicContact CG-CG 4.37Å; P155-E319 WeakPolarHBondContact CG-OE2 3.5Å
320E31.1Very low30Very low112 Ų112101.2 Ų101.252%0.52352%0.517SS..  trans-124.1137.2179-68.9-169.217400110.4P92 T152 I318P92-E320 WeakPolarHBondContact CD-O 3.35Å; P92-E320 WeakPolarHBondContact CG-O 3.39Å; T152-E320 HydrophobicContact CG2-CB 3.7Å; T152-E320 HydrophobicContact CG2-CG 4.18Å; I318-E320 HydrophobicContact CG2-CG 4.12Å
321F27.6Very low30Very low32 Ų3294.7 Ų94.714%0.1450%0.503CS..  trans-132.1130.7176.4-66.5-118.5000108.8I42 S91 T152 I153I42-F321 HydrophobicContact CD1-CD1 4.45Å; I42-F321 HydrophobicContact CD1-CE1 4.47Å; I42-F321 HydrophobicContact CG2-CE1 4.4Å; S91-F321 VanDerWaalsContact CB-CD1 3.49Å; S91-F321 WeakPolarHBondContact OG-CD1 3.11Å; S91-F321 WeakPolarHBondContact OG-CE1 3.38Å; T152-F321 CarbonylContact C-O 3.46Å; T152-F321 WeakPolarHBondContact CA-O 2.8Å; T152-F321 WeakPolarHBondContact CG2-O 3.42Å; I153-F321 PolarHBondContact N-O 2.91Å; I153-F321 PolarHBondContact O-N 2.88Å
322S27.5Very low29.9Very low49 Ų4997 Ų9734%0.34350%0.5SS..EExtended strand (participates in β ladder)trans-97.8141.3-179.6-54.10000112.5V90 T152V90-S322 WeakPolarHBondContact CG2-O 3.4Å; V90-S322 PolarHBondContact N-O 3.25Å; T152-S322 PolarHBondContact OG1-OG 2.97Å
323I30.6Very low29.6Very low3 Ų390.6 Ų90.62%0.01550%0.496CS..EExtended strand (participates in β ladder)trans-123.8140.1-179.7-43.9168.2000108.8F88 F89 S150 V151 I153 Y325F88-I323 WeakPolarHBondContact O-CG2 3.25Å; F89-I323 HydrophobicContact CD1-CB 4.5Å; F89-I323 HydrophobicContact CD1-CD1 3.91Å; F89-I323 HydrophobicContact CD1-CG1 3.6Å; F89-I323 HydrophobicContact CD1-CG2 4.26Å; F89-I323 HydrophobicContact CE1-CB 4.47Å; F89-I323 HydrophobicContact CE1-CD1 3.29Å; F89-I323 HydrophobicContact CE1-CG1 3.54Å; F89-I323 HydrophobicContact CE1-CG2 4.11Å; F89-I323 HydrophobicContact CE2-CG2 4.39Å; F89-I323 HydrophobicContact CG-CG1 4.48Å; F89-I323 HydrophobicContact CG-CG2 4.46Å; F89-I323 HydrophobicContact CZ-CD1 3.97Å; F89-I323 HydrophobicContact CZ-CG1 4.35Å; F89-I323 HydrophobicContact CZ-CG2 4.14Å; S150-I323 CarbonylContact C-O 3.57Å; S150-I323 WeakPolarHBondContact CA-O 3.5Å; V151-I323 PolarHBondContact N-O 3.28Å; V151-I323 WeakPolarHBondContact O-CB 3.25Å; V151-I323 WeakPolarHBondContact O-CG1 3.49Å; V151-I323 PolarHBondContact O-N 2.68Å; I153-I323 HydrophobicContact CB-CD1 4.21Å; I153-I323 HydrophobicContact CD1-CD1 3.36Å; I153-I323 HydrophobicContact CG1-CD1 3.6Å; I323-Y325 HydrophobicContact CB-CE2 4.11Å; I323-Y325 HydrophobicContact CD1-CE2 4.36Å; I323-Y325 HydrophobicContact CG2-CD2 4.02Å; I323-Y325 HydrophobicContact CG2-CE1 4.22Å; I323-Y325 HydrophobicContact CG2-CE2 3.48Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.48Å
324G26.6Very low29.4Very low10 Ų1094.4 Ų94.410%0.10352%0.515CS..EExtended strand (participates in β ladder)trans-108.7137.8166.600000111.4G87 F88G87-G324 WeakPolarHBondContact CA-O 3.38Å; F88-G324 PolarHBondContact O-N 2.89Å
325Y29.3Very low29.2Very low74 Ų7496.9 Ų96.929%0.2952%0.522SS..EExtended strand (participates in β ladder)trans-128.5141.8173.2-67.5-74.8000111.7K149 I323K149-Y325 PolarHBondContact O-N 3.05Å; I323-Y325 HydrophobicContact CB-CE2 4.11Å; I323-Y325 HydrophobicContact CD1-CE2 4.36Å; I323-Y325 HydrophobicContact CG2-CD2 4.02Å; I323-Y325 HydrophobicContact CG2-CE1 4.22Å; I323-Y325 HydrophobicContact CG2-CE2 3.48Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.48Å
326Y27.4Very low29.2Very low65 Ų6598.6 Ų98.626%0.25553%0.532SS..  trans-91.7125.6162.1-67.1-79.9000109.6L86 L130 P146 V148L86-Y326 PolarHBondContact O-N 3.31Å; L130-Y326 PolarHBondContact O-OH 2.79Å; P146-Y326 HydrophobicContact CB-CD1 4.27Å; V148-Y326 HydrophobicContact CG2-CD1 4.43Å; V148-Y326 HydrophobicContact CG2-CE1 3.76Å
327N28.4Very low28.8Very low100 Ų100102.3 Ų102.354%0.53554%0.54SS..  trans-88.2108178.3-116.736.7000110.2E329N327-E329 VanDerWaalsContact ND2-CD 3.34Å; N327-E329 PolarHBondContact ND2-OE1 2.82Å; N327-E329 PolarHBondContact O-N 3.23Å
328T29.2Very low28.7Very low130 Ų130101.3 Ų101.380%0.79854%0.535SS*.  trans-88.972.316838.20000110.6D330T328-D330 PolarHBondContact O-N 2.88Å
329E31.1Very low28.7Very low91 Ų91103.9 Ų103.943%0.42555%0.548SS..  trans-94.266.1175.6-74.9-173.8-16200112.6N327 G331N327-E329 VanDerWaalsContact ND2-CD 3.34Å; N327-E329 PolarHBondContact ND2-OE1 2.82Å; N327-E329 PolarHBondContact O-N 3.23Å; E329-G331 PolarHBondContact O-N 3.36Å
330D30.3Very low28.8Very low173 Ų173105.9 Ų105.993%0.92556%0.561SS**THydrogen-bonded Turntrans-71.778.4157.9-77.2-37.6000108.9T328T328-D330 PolarHBondContact O-N 2.88Å
331G27.3Very low28.7Very low50 Ų50107.7 Ų107.752%0.51557%0.569SS.*THydrogen-bonded Turntrans-157.6-7.5-169.200000118.8E329E329-G331 PolarHBondContact O-N 3.36Å
332F29.2Very low28.9Very low171 Ų171114.8 Ų114.875%0.7560%0.6SS**  trans-112.274.3-177.9-77.7-77.7000113.2
333G24.3Very low29Very low69 Ų69123.1 Ų123.171%0.71162%0.624SS**  trans-82120.6147.700000109.4
334I29.7Very low29.2Very low154 Ų154130.1 Ų130.179%0.7966%0.659SS**  trans-166.5124.1143.5-93.8145.8000105.8D336I334-D336 PolarHBondContact O-N 2.88Å
335D27.2Very low29.5Very low154 Ų154137.8 Ų137.882%0.82469%0.693SS**  trans-57.7124.9164.8-67-74.6000109.3
336D31.2Very low29.8Very low160 Ų160142.5 Ų142.586%0.85671%0.714SS**  trans-132.2122.7144.8-111.8-30.5000108.9I334I334-D336 PolarHBondContact O-N 2.88Å
337R25.6Very low30.1Very low208 Ų208147 Ų14779%0.78574%0.738SS**  trans-75.1167.4-177.2-65.4176.5176174.7-1.7110.1
338D28.1Very low30.5Very low138 Ų138150.5 Ų150.574%0.73876%0.755SS**  trans67.3112.7168.7-45.6-41.2000111.7
339I33.8Very low30.7Very low154 Ų154151 Ų15179%0.7975%0.752SS**  -151125.775.9-81.6143.5000110.1
340L28.9Very low31Very low127 Ų127151.7 Ų151.767%0.66576%0.763SS**  trans13.6141.4140.2-65.980.6000117.6
341H30Very low31.1Very low150 Ų150151.2 Ų151.269%0.69476%0.761SS**  cis167.3147.9-1.2-106.3-27.8000105.2
342K30.3Very low31.4Very low181 Ų181154 Ų15479%0.78776%0.763SS**  trans66.1113.4156.1-64.2168.6-1791770116.6
343R29.8Very low31.5Very low224 Ų224151.2 Ų151.285%0.84577%0.766SS**  94.4146.553.7-175.5-162.5-79.8-162.5-5.5110.8
344I34.9Very low32Very low149 Ų149154.3 Ų154.376%0.76476%0.762SS**  trans90.298.3177-50165.7000110.5
345E33.5Very low32.3Very low172 Ų172155.3 Ų155.380%0.80476%0.763SS**  64.295.657.7-61.6-175.3175.400115
346K35.5Very low32.8Very low172 Ų172153.5 Ų153.575%0.74875%0.753SS**  165.4129116.8-95.9-172.5160.8-1220114.8
347E32.8Very low33Very low161 Ų161148.1 Ų148.175%0.75273%0.727SS**  5790.3122-149.3161.7-139.900118.7
348I38.3Very low33.7Very low173 Ų173147 Ų14789%0.88772%0.723SS**  trans-133130.2151.8-60.2-178.7000107.7
349D33.6Very low34.3Very low139 Ų139145.2 Ų145.274%0.74372%0.717SS**  trans-113.4166.5177-168.16.2000109.6
350T35.7Very low34.5Very low107 Ų107144.1 Ų144.166%0.65671%0.708SS**SBendtrans71.9127.7171.970.30000120.1
351N32.9Very low35.1Very low162 Ų162141.9 Ų141.987%0.86670%0.697SS**  trans45.296.5149.4-60.4-21.7000118.9
352D33.6Very low35.5Very low108 Ų108139.4 Ų139.458%0.57869%0.688SS**  trans-142.9134147.5-153.93.8000112.2Q354D352-Q354 PolarHBondContact OD2-NE2 3.41Å
353S30.7Very low36.1Very low114 Ų114134.6 Ų134.680%0.79767%0.674SS**  trans-94.394.9176.651.50000108.8
354Q36.1Very low36.6Very low134 Ų134128.1 Ų128.163%0.62665%0.65SS**  trans-116.7101.2175.1-69.7-1715.300111.2D352 N356D352-Q354 PolarHBondContact OD2-NE2 3.41Å; Q354-N356 PolarHBondContact O-N 3.03Å
355E35.3Very low37Very low175 Ų175124.8 Ų124.882%0.81863%0.633SS**  trans-48.1135.7148.7-67176128.800108.4P357E355-P357 WeakPolarHBondContact O-CD 3.19Å
356N37.2Very low37.2Very low115 Ų115117.9 Ų117.962%0.61560%0.604SS**  trans-60105.8-176.8-171.136.5000109.5Q354 W358Q354-N356 PolarHBondContact O-N 3.03Å; N356-W358 PolarHBondContact O-N 3.01Å
357P37.4Very low37.5Very low47 Ų47114 Ų11431%0.30559%0.591SS.*THydrogen-bonded Turntrans-76.424.4-163.132.3-38.7000114.3E355E355-P357 WeakPolarHBondContact O-CD 3.19Å
358W40.4Very low37.9Very low184 Ų184108.7 Ų108.770%0.69757%0.568SS**THydrogen-bonded Turntrans-112.4-6.1-163.4-66.289.5000114.1N356N356-W358 PolarHBondContact O-N 3.01Å
359V39.5Very low38.2Very low102 Ų102110.7 Ų110.762%0.61857%0.57SS**  trans-139.143.3-164.4-153.60000113.9
360E39.1Very low39.1Very low130 Ų130109.7 Ų109.761%0.60757%0.565SS**SBendtrans-107.7-24.4173.6-68.7-157.8133.500115V389E360-V389 HydrophobicContact CB-CG2 3.94Å
361N40.4Very low39.4Very low80 Ų80106.9 Ų106.943%0.42856%0.558SS.*  trans-148.698.2178.9-84.9-66.7000111.2A386 Q387N361-A386 CarbonylContact O-C 3.56Å; N361-A386 WeakPolarHBondContact O-CA 3.43Å; N361-Q387 HydrophobicContact CB-CB 3.98Å; N361-Q387 PolarHBondContact O-N 2.97Å
362I39.3Very low39.9Very low99 Ų99105.7 Ų105.751%0.50854%0.544SS..EExtended strand (participates in β ladder)trans-110117.3169.6-58.3178.6000108.3Y384 A386I362-Y384 HydrophobicContact CG2-CD1 3.92Å; I362-Y384 HydrophobicContact CG2-CG 4.41Å; I362-A386 HydrophobicContact CG1-CB 4.21Å
363T41.5Very low40.2Very low79 Ų79101.6 Ų101.649%0.48553%0.526SS..EExtended strand (participates in β ladder)trans-115.5131.4178.9-48.50000110.2V385T363-V385 PolarHBondContact N-O 3.18Å; T363-V385 PolarHBondContact O-N 3.45Å
364Y40.6Very low40.6Very low88 Ų8898.4 Ų98.435%0.34550%0.502SS..EExtended strand (participates in β ladder)trans-72132.9169.9167.3-109.7000110.3Y382 L383Y364-Y382 HydrophobicContact CD2-CD1 4.39Å; Y364-Y382 AromaticContact CE2-CD1 3.71Å; Y364-Y382 HydrophobicContact CE2-CD1 3.71Å; Y364-Y382 HydrophobicContact CE2-CG 4.41Å; Y364-L383 VanDerWaalsContact CD2-O 3.26Å; Y364-L383 WeakPolarHBondContact CD2-O 3.2Å
365I43.8Very low40.7Very low79 Ų7997.4 Ų97.441%0.40550%0.504SS..EExtended strand (participates in β ladder)trans-120.6116.4172.4-55.1-167000108.4N367 L383 V385I365-N367 PolarHBondContact O-N 2.66Å; I365-L383 PolarHBondContact N-O 2.79Å; I365-L383 WeakPolarHBondContact O-CB 3.35Å; I365-V385 HydrophobicContact CD1-CB 3.96Å; I365-V385 HydrophobicContact CD1-CG2 3.45Å; I365-V385 VanDerWaalsContact CD1-CG2 3.45Å; I365-V385 HydrophobicContact CG1-CB 4.37Å; I365-V385 HydrophobicContact CG1-CG2 4.01Å
366S38.6Very low41Very low28 Ų2892.1 Ų92.120%0.19648%0.484CS..  trans-70129.8170.1177.90000110.2N368 G371 K372S366-N368 PolarHBondContact O-N 3.12Å; S366-N368 WeakPolarHBondContact OG-CB 3.47Å; S366-N368 PolarHBondContact OG-N 2.84Å; S366-N368 VanDerWaalsContact OG-N 3.15Å; S366-N368 PolarHBondContact OG-O 2.86Å; S366-G371 WeakPolarHBondContact CB-O 3.35Å; S366-G371 WeakPolarHBondContact OG-CA 3.47Å; S366-G371 PolarHBondContact OG-O 3.04Å; S366-K372 PolarHBondContact OG-N 3.11Å; S366-K372 PolarHBondContact OG-O 3.36Å
367N40.8Very low40.7Very low90 Ų9092.4 Ų92.448%0.48150%0.495SS..SBendtrans-79.77.8170.969.6-15.5000113.4I365 T374I365-N367 PolarHBondContact O-N 2.66Å; N367-T374 PolarHBondContact ND2-OG1 2.8Å; N367-T374 WeakPolarHBondContact OD1-CG2 3.38Å; N367-T374 PolarHBondContact OD1-OG1 2.96Å
368N40.8Very low40.6Very low49 Ų4997.4 Ų97.426%0.26252%0.52SS..SBendtrans-114.4135.3-175.1-168.9-36.5000109.8S366 N370 G371 K372S366-N368 PolarHBondContact O-N 3.12Å; S366-N368 WeakPolarHBondContact OG-CB 3.47Å; S366-N368 PolarHBondContact OG-N 2.84Å; S366-N368 VanDerWaalsContact OG-N 3.15Å; S366-N368 PolarHBondContact OG-O 2.86Å; N368-N370 PolarHBondContact O-N 3.22Å; N368-N370 PolarHBondContact OD1-N 2.84Å; N368-N370 VanDerWaalsContact OD1-N 3.07Å; N368-G371 PolarHBondContact O-N 3.12Å; N368-K372 WeakPolarHBondContact CB-O 3.13Å
369K44.4Very low40.2Very low215 Ų21590.2 Ų90.294%0.93550%0.503SS*.THydrogen-bonded Turntrans-57.1-14.7177.4-62.6-173.4176.1-173.20114.1
370N52.2Low40Very low118 Ų11887.9 Ų87.963%0.63149%0.49SS*.THydrogen-bonded Turntrans-105.412.2178.4-60.9-34.8000114.3N368 K372N368-N370 PolarHBondContact O-N 3.22Å; N368-N370 PolarHBondContact OD1-N 2.84Å; N368-N370 VanDerWaalsContact OD1-N 3.07Å; N370-K372 HydrophobicContact CB-CD 4.16Å; N370-K372 HydrophobicContact CB-CG 4.3Å; N370-K372 PolarHBondContact O-N 3Å; N370-K372 VanDerWaalsContact O-N 3.08Å
371G43.2Very low39.9Very low49 Ų4985 Ų8551%0.50548%0.481SS..SBendtrans70.9-1.8-177.500000115.6S366 N368S366-G371 WeakPolarHBondContact CB-O 3.35Å; S366-G371 WeakPolarHBondContact OG-CA 3.47Å; S366-G371 PolarHBondContact OG-O 3.04Å; N368-G371 PolarHBondContact O-N 3.12Å
372K42Very low40Very low136 Ų13687.3 Ų87.359%0.59149%0.485SS*.PPolyproline II helixtrans-80.9143.5-177.5-64.5172-177.2176.50111S366 N368 N370 T374S366-K372 PolarHBondContact OG-N 3.11Å; S366-K372 PolarHBondContact OG-O 3.36Å; N368-K372 WeakPolarHBondContact CB-O 3.13Å; N370-K372 HydrophobicContact CB-CD 4.16Å; N370-K372 HydrophobicContact CB-CG 4.3Å; N370-K372 PolarHBondContact O-N 3Å; N370-K372 VanDerWaalsContact O-N 3.08Å; K372-T374 PolarHBondContact O-N 2.87Å
373A41.5Very low39.9Very low23 Ų2387 Ų8719%0.1948%0.484CS..PPolyproline II helixtrans-61.3138.1166.900000110.1V375 Y382A373-V375 PolarHBondContact O-N 3.21Å; A373-Y382 HydrophobicContact CB-CD1 4.01Å; A373-Y382 HydrophobicContact CB-CE1 3.65Å
374T38.1Very low39.8Very low47 Ų4789.9 Ų89.929%0.28849%0.487SS..EExtended strand (participates in β ladder)trans-69.8117.2166.743.70000109.4N367 K372 V381N367-T374 PolarHBondContact ND2-OG1 2.8Å; N367-T374 WeakPolarHBondContact OD1-CG2 3.38Å; N367-T374 PolarHBondContact OD1-OG1 2.96Å; K372-T374 PolarHBondContact O-N 2.87Å; T374-V381 PolarHBondContact O-N 2.75Å
375V38.2Very low39.7Very low112 Ų11289 Ų8968%0.67949%0.49SS*.EExtended strand (participates in β ladder)trans-89.3118.6172.8-169.60000108.5A373A373-V375 PolarHBondContact O-N 3.21Å
376T42.6Very low39.4Very low64 Ų6488.2 Ų88.239%0.39350%0.496SS..EExtended strand (participates in β ladder)trans-96.9170.7170.771.40000109.9N378 G379 V381T376-N378 PolarHBondContact O-N 2.8Å; T376-N378 PolarHBondContact OG1-N 2.89Å; T376-N378 VanDerWaalsContact OG1-N 3.17Å; T376-G379 PolarHBondContact N-O 3.02Å; T376-G379 PolarHBondContact O-N 2.6Å; T376-G379 PolarHBondContact OG1-N 3.31Å; T376-G379 PolarHBondContact OG1-O 2.91Å; T376-V381 HydrophobicContact CG2-CG2 4.12Å
377S30.8Very low39.3Very low122 Ų12293 Ų9385%0.85352%0.516SS*.THydrogen-bonded Turntrans-56.4-19.8169.654.90000113.7
378N34.2Very low39.1Very low152 Ų15295.2 Ų95.281%0.81352%0.523SS*.THydrogen-bonded Turntrans-102.87.9-176.9-56.1-0.6000111.8T376T376-N378 PolarHBondContact O-N 2.8Å; T376-N378 PolarHBondContact OG1-N 2.89Å; T376-N378 VanDerWaalsContact OG1-N 3.17Å
379G32.2Very low39.2Very low33 Ų3395.4 Ų95.434%0.3453%0.526SS..EExtended strand (participates in β ladder)trans114.1176.8-179.300000114.3T376T376-G379 PolarHBondContact N-O 3.02Å; T376-G379 PolarHBondContact O-N 2.6Å; T376-G379 PolarHBondContact OG1-N 3.31Å; T376-G379 PolarHBondContact OG1-O 2.91Å
380S35.4Very low38.8Very low52 Ų5290.6 Ų90.636%0.36451%0.51SS..EExtended strand (participates in β ladder)trans-72.2130.5175.5-58.10000111.5
381V37.1Very low38.4Very low69 Ų6988.9 Ų88.942%0.41851%0.505SS..EExtended strand (participates in β ladder)trans-94.8121.8169.4-178.10000108.6T374 T376T374-V381 PolarHBondContact O-N 2.75Å; T376-V381 HydrophobicContact CG2-CG2 4.12Å
382Y41.4Very low38.3Very low129 Ų12997.7 Ų97.751%0.50652%0.523SS..  trans-107137.4171.8-60.4-87.1000109Y364 A373Y364-Y382 HydrophobicContact CD2-CD1 4.39Å; Y364-Y382 AromaticContact CE2-CD1 3.71Å; Y364-Y382 HydrophobicContact CE2-CD1 3.71Å; Y364-Y382 HydrophobicContact CE2-CG 4.41Å; A373-Y382 HydrophobicContact CB-CD1 4.01Å; A373-Y382 HydrophobicContact CB-CE1 3.65Å
383L38.4Very low38.2Very low94 Ų9498.6 Ų98.649%0.49253%0.528SS..EExtended strand (participates in β ladder)trans-109.5126.9174.3-160.879.9000108.5Y364 I365Y364-L383 VanDerWaalsContact CD2-O 3.26Å; Y364-L383 WeakPolarHBondContact CD2-O 3.2Å; I365-L383 PolarHBondContact N-O 2.79Å; I365-L383 WeakPolarHBondContact O-CB 3.35Å
384Y40.3Very low38Very low139 Ų139105.8 Ų105.855%0.54556%0.557SS.*EExtended strand (participates in β ladder)trans-114.1139.8173.4-65.9-89.9000108.6I362I362-Y384 HydrophobicContact CG2-CD1 3.92Å; I362-Y384 HydrophobicContact CG2-CG 4.41Å
385V37.4Very low38.1Very low68 Ų68109.5 Ų109.541%0.41258%0.58SS.*EExtended strand (participates in β ladder)trans-113.5118.3169.7173.60000107.7T363 I365T363-V385 PolarHBondContact N-O 3.18Å; T363-V385 PolarHBondContact O-N 3.45Å; I365-V385 HydrophobicContact CD1-CB 3.96Å; I365-V385 HydrophobicContact CD1-CG2 3.45Å; I365-V385 VanDerWaalsContact CD1-CG2 3.45Å; I365-V385 HydrophobicContact CG1-CB 4.37Å; I365-V385 HydrophobicContact CG1-CG2 4.01Å
386A37.3Very low38.4Very low63 Ų63110.7 Ų110.752%0.52158%0.581SS.*EExtended strand (participates in β ladder)trans-88.7125.716600000108.4N361 I362N361-A386 CarbonylContact O-C 3.56Å; N361-A386 WeakPolarHBondContact O-CA 3.43Å; I362-A386 HydrophobicContact CG1-CB 4.21Å
387Q36.3Very low38.4Very low130 Ų130112.6 Ų112.661%0.60760%0.597SS**  trans-88.6114.7171.6-176.7173-6.600108.7N361 V389N361-Q387 HydrophobicContact CB-CB 3.98Å; N361-Q387 PolarHBondContact O-N 2.97Å; Q387-V389 PolarHBondContact O-N 2.75Å
388Q37.9Very low39.1Very low136 Ų136113.4 Ų113.464%0.63659%0.592SS**  trans-66.1114.1171179.7179.6-12.400108.9N390Q388-N390 PolarHBondContact NE2-OD1 2.8Å; Q388-N390 PolarHBondContact O-N 3.14Å
389V41.8Very low39.4Very low53 Ų53115.8 Ų115.832%0.32160%0.595SS.*  trans-85.3103.9168.4-1720000106.5E360 Q387 P391E360-V389 HydrophobicContact CB-CG2 3.94Å; Q387-V389 PolarHBondContact O-N 2.75Å; V389-P391 WeakPolarHBondContact O-CD 3.43Å
390N36.6Very low39.9Very low114 Ų114119.5 Ų119.561%0.6162%0.616SS**  trans-69.3123.9171.9-105.1-7.7000108.3Q388 R392Q388-N390 PolarHBondContact NE2-OD1 2.8Å; Q388-N390 PolarHBondContact O-N 3.14Å; N390-R392 PolarHBondContact O-N 2.68Å
391P44.6Very low40.3Very low81 Ų81128.4 Ų128.453%0.52666%0.657SS.*  trans-61.1112.717325-32.4000108.4V389 F393V389-P391 WeakPolarHBondContact O-CD 3.43Å; P391-F393 PolarHBondContact O-N 2.69Å; P391-F393 VanDerWaalsContact O-N 3.16Å
392R39.4Very low40.5Very low234 Ų234131.4 Ų131.488%0.88367%0.669SS**  trans-74.4104.8169.2-71.8-176.2-179.6172.41.5106.8N390 E394N390-R392 PolarHBondContact O-N 2.68Å; R392-E394 VanDerWaalsContact C-N 3.28Å; R392-E394 PolarHBondContact O-N 3.15Å
393F40Very low40.4Very low156 Ų156131.5 Ų131.568%0.68468%0.677SS**  trans-61.794.1164.4-68-82.3000108.7P391 T395P391-F393 PolarHBondContact O-N 2.69Å; P391-F393 VanDerWaalsContact O-N 3.16Å; F393-T395 VanDerWaalsContact C-N 3.31Å; F393-T395 PolarHBondContact O-N 3.43Å
394E37.7Very low40.6Very low174 Ų174133.6 Ų133.681%0.81369%0.688SS**  trans-63.298165.8-70.8-163.7161.900107.6R392 I396R392-E394 VanDerWaalsContact C-N 3.28Å; R392-E394 PolarHBondContact O-N 3.15Å; E394-I396 VanDerWaalsContact C-N 3.31Å; E394-I396 PolarHBondContact O-N 2.78Å
395T39.9Very low40.6Very low125 Ų125133.3 Ų133.377%0.76770%0.696SS**  trans-69.794.5175.7-47.70000107.6F393 S397F393-T395 VanDerWaalsContact C-N 3.31Å; F393-T395 PolarHBondContact O-N 3.43Å; T395-S397 PolarHBondContact O-N 3.02Å
396I45.4Very low40.8Very low136 Ų136137.4 Ų137.470%0.69771%0.714SS**  trans-62.393.3170.6-58.3176.1000106.9E394 N398E394-I396 VanDerWaalsContact C-N 3.31Å; E394-I396 PolarHBondContact O-N 2.78Å; I396-N398 PolarHBondContact O-N 3.01Å
397S43.3Very low41Very low104 Ų104142.3 Ų142.373%0.72773%0.727SS**  trans-72.280.1173.858.40000109.1T395 K399T395-S397 PolarHBondContact O-N 3.02Å; S397-K399 PolarHBondContact O-N 3.08Å
398N45.1Very low41.3Very low140 Ų140143.2 Ų143.275%0.74974%0.735SS**  trans-60.890.7164.5-81-19000108.3I396 S400I396-N398 PolarHBondContact O-N 3.01Å; N398-S400 VanDerWaalsContact C-N 3.33Å; N398-S400 PolarHBondContact O-N 2.93Å
399K40Very low41.6Very low202 Ų202143.8 Ų143.888%0.87874%0.743SS**  trans-66.396.9163.3-92.9-174.5172.1179.70107.8S397 I401S397-K399 PolarHBondContact O-N 3.08Å; K399-I401 PolarHBondContact O-N 3.37Å
400S42.4Very low41.6Very low111 Ų111151.3 Ų151.378%0.77678%0.778SS**  trans-71.4112.4163.755.70000110.2N398N398-S400 VanDerWaalsContact C-N 3.33Å; N398-S400 PolarHBondContact O-N 2.93Å
401I44.7Very low42Very low239 Ų239154.7 Ų154.7100%1.22679%0.793SS**  trans-133.70142.1-61.4-174.8000105.7K399K399-I401 PolarHBondContact O-N 3.37Å

Retrieved 401 of 401 residues in 546.2 ms (Link to these results)

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