A0A077Z824_TRITR Loading...

Nuclear pore complex protein Nup50

AlphaFold DB , UniProt , Accession A0A077Z824, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.8Very low50.2Low242 Ų242142.2 Ų142.2100%1.19284%0.837SS**  098.50-73.5166.5175.500106.4
2F42.7Very low49.4Very low217 Ų217137.4 Ų137.495%0.95283%0.825SS**PPolyproline II helixtrans-88.8116.1-174.4-76.2-80.3000109.8
3S55.6Low48.6Very low119 Ų119145.5 Ų145.583%0.83283%0.832SS**PPolyproline II helixtrans-56.8144.5179-176.90000112.1
4G48.8Very low48.2Very low68 Ų68141.6 Ų141.670%0.70183%0.827SS**PPolyproline II helixtrans-62.8146.2-176.300000114.3L6G4-L6 PolarHBondContact O-N 3.31Å
5S57.8Low47.6Very low133 Ų133142.7 Ų142.793%0.9384%0.836SS**  trans-74.9114166.9-75.60000109.6
6L56.9Low47.6Very low131 Ų131139.3 Ų139.369%0.68683%0.828SS**  trans-83.6159.1165.9-155.367000108.5G4G4-L6 PolarHBondContact O-N 3.31Å
7F47.6Very low47Very low182 Ų182141.8 Ų141.880%0.79883%0.83SS**  trans98.6150.8160.2-50.5-66.1000118.8
8P47.9Very low46.4Very low113 Ų113141.6 Ų141.673%0.73483%0.825SS**  cis-129.9163.7-25.526.9-6.1000114.5
9S48.3Very low46.1Very low115 Ų115141.8 Ų141.880%0.80482%0.815SS**PPolyproline II helixtrans-50.4124162.5172.40000112.2
10V58.9Low45.6Very low143 Ų143141.6 Ų141.687%0.86781%0.806SS**PPolyproline II helixtrans-94.6133.2156.6166.80000108.2
11S44.1Very low45.3Very low101 Ų101143.4 Ų143.471%0.70681%0.808SS**PPolyproline II helixtrans-94.6152.9-169.3-157.50000110.9
12A39.9Very low45.2Very low85 Ų85141.8 Ų141.870%0.70280%0.797SS**  trans79.6109.8145.500000120.3
13R39.3Very low44.9Very low242 Ų242138.5 Ų138.591%0.91379%0.79SS**  72.5106.1110.1-168.3179.2-175.4165.21117.5
14A42.7Very low44.1Very low92 Ų92140.9 Ų140.976%0.7679%0.788SS**  172.6119.6100.400000108.9
15V39.9Very low43.6Very low158 Ų158145.4 Ų145.496%0.95879%0.791SS**  trans-93.2110.6167.9175.70000106
16A47.2Very low42.7Very low87 Ų87148.5 Ų148.572%0.71979%0.79SS**  trans-158.895.9165.300000104.5
17E38.4Very low41.8Very low183 Ų183145.6 Ų145.686%0.85579%0.792SS**  84.2108.793.5-165.8174.8137.800110.5
18D36.1Very low41.9Very low137 Ų137145.8 Ų145.873%0.73380%0.795SS**  trans43.2104.7141.5-156.365000117.5
19K39.8Very low41.9Very low147 Ų147147.8 Ų147.864%0.63980%0.8SS**  174.6132.6122-98.9167.4168-94.40112.2
20E37.2Very low42.1Very low137 Ų137149.2 Ų149.264%0.6480%0.799SS**  trans70.4117.6133.6-67.2161.7-175.500118.9
21E38.4Very low41.9Very low180 Ų180145.6 Ų145.684%0.84178%0.784SS**  trans74.381.6140.9-62.3176.617900117.2
22E41.3Very low42.9Very low207 Ų207145.6 Ų145.697%0.96778%0.781SS**  trans-93.887.9148.7-76.9179.2170.800108
23D37Very low44Very low149 Ų149146.7 Ų146.780%0.79778%0.781SS**  trans-122.4150.8154.3-163.611.9000107.1
24E39Very low45.2Very low169 Ų169142.6 Ų142.679%0.7978%0.776SS**  trans76.3135-168.8-53.9-173.6179.500115.2
25E38.4Very low46.1Very low163 Ų163144.1 Ų144.176%0.76278%0.775SS**  cis177.8166.7-17.5-123.9-177.4162.400103.1
26Q38.4Very low46.7Very low197 Ų197141.5 Ų141.592%0.92176%0.76SS**  trans84.7119171.7-47.6176.131.700115.2
27G37.9Very low46.9Very low70 Ų70142.6 Ų142.672%0.72276%0.759SS**  cis173.1-176.8900000109.6
28E50.4Low47.7Very low187 Ų187139 Ų13987%0.87475%0.751SS**  trans87.269.1171.8-50.8-165.6127.700115.5D30E28-D30 PolarHBondContact O-N 3.3Å
29D46.8Very low48.6Very low155 Ų155138.6 Ų138.683%0.82975%0.747SS**  trans-57.477.3150.7-156.8-72.1000109.8A31D29-A31 PolarHBondContact O-N 3.4Å
30D53.5Low49.4Very low145 Ų145136.5 Ų136.578%0.77574%0.742SS**  trans-94.456.1166.2-132.3-72.2000108.1E28 P32E28-D30 PolarHBondContact O-N 3.3Å; D30-P32 WeakPolarHBondContact O-CD 3.39Å
31A54.6Low50.3Low67 Ų67134.6 Ų134.655%0.55474%0.742SS**  trans-73.3109.4167.700000107.1D29D29-A31 PolarHBondContact O-N 3.4Å
32P64.9Low51.4Low100 Ų100127.9 Ų127.965%0.64971%0.71SS**  trans-56.9134179.222.8-32.1000108D30 I34D30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-I34 PolarHBondContact O-N 3.49Å
33P63.1Low52.5Low109 Ų109124.6 Ų124.671%0.70870%0.699SS**  trans-52.3120.5-174.618.9-30.6000107.6V35P33-V35 PolarHBondContact O-N 3.26Å
34I63.3Low54.2Low155 Ų155120 Ų12080%0.79569%0.687SS**  trans-61.688.2175.5-57.9169.3000105.1P32 T36P32-I34 PolarHBondContact O-N 3.49Å; I34-T36 HydrophobicContact CG2-CG2 4.4Å; I34-T36 PolarHBondContact O-N 3.29Å
35V61.4Low56.2Low125 Ų125113.6 Ų113.676%0.75866%0.661SS**  trans-66.287.7170.1-78.60000104.5P33 P37P33-V35 PolarHBondContact O-N 3.26Å; V35-P37 WeakPolarHBondContact O-CD 3.45Å
36T53.7Low58.5Low103 Ų103108.3 Ų108.363%0.63264%0.637SS**  trans-51.8108.9167.940.40000105.4I34 T38I34-T36 HydrophobicContact CG2-CG2 4.4Å; I34-T36 PolarHBondContact O-N 3.29Å; T36-T38 PolarHBondContact O-N 2.68Å
37P51.9Low61Low109 Ų109100.6 Ų100.671%0.70860%0.601SS**  trans-65100.7175.425.4-28000104.6V35 I39V35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-I39 PolarHBondContact O-N 3.25Å
38T54.9Low63.6Low109 Ų109101.7 Ų101.767%0.66959%0.59SS**  trans-69.279.3169.8-590000104T36 L40T36-T38 PolarHBondContact O-N 2.68Å; T38-L40 PolarHBondContact O-N 2.81Å
39I55.4Low65.7Low128 Ų12893.1 Ų93.166%0.65655%0.551SS**  trans-55.799.5165.6-60-71000102.9P37 P41P37-I39 PolarHBondContact O-N 3.25Å; I39-P41 WeakPolarHBondContact O-CD 3Å
40L56.9Low67.9Low102 Ų10292.4 Ų92.453%0.53454%0.537SS..  trans-56.5102.1178.2-74.4160.7000106.2T38 E42T38-L40 PolarHBondContact O-N 2.81Å; L40-E42 PolarHBondContact O-N 2.86Å; L40-E42 VanDerWaalsContact O-N 3.08Å
41P56Low69.9Low98 Ų9885.7 Ų85.764%0.63650%0.501SS*.  trans-68.8114170.527.9-20.3000104.2I39 D43I39-P41 WeakPolarHBondContact O-CD 3Å; P41-D43 PolarHBondContact O-N 3.06Å
42E60.6Low71.8Confident39 Ų3985.5 Ų85.518%0.18249%0.488CS..  trans-66.8105.5173.6-81.4-148.9142.300108.5L40 G44 S45 Y71 I83 R85L40-E42 PolarHBondContact O-N 2.86Å; L40-E42 VanDerWaalsContact O-N 3.08Å; E42-G44 PolarHBondContact O-N 3.29Å; E42-G44 VanDerWaalsContact O-N 3.13Å; E42-S45 WeakPolarHBondContact CB-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.43Å; E42-S45 VanDerWaalsContact O-N 3.13Å; E42-S45 PolarHBondContact O-OG 3.26Å; E42-Y71 HydrophobicContact CB-CD1 4.44Å; E42-I83 VanDerWaalsContact OE2-CD1 3.26Å; E42-I83 WeakPolarHBondContact OE2-CD1 3.47Å; E42-I83 WeakPolarHBondContact OE2-CG2 3.33Å; E42-R85 IonicContact OE1-CZ 2.64Å; E42-R85 IonicContact OE1-NE 2.76Å; E42-R85 PolarHBondContact OE1-NE 2.8Å; E42-R85 IonicContact OE1-NH2 2.7Å; E42-R85 PolarHBondContact OE1-NH2 3.48Å
43D64.8Low73.3Confident138 Ų13880.8 Ų80.874%0.73846%0.457SS*.THydrogen-bonded Turntrans-50.9116.7179.9-62.8-66000110.9P41 K73P41-D43 PolarHBondContact O-N 3.06Å; D43-K73 PolarHBondContact O-NZ 3.23Å
44G71.3Confident74.8Confident52 Ų5277.4 Ų77.454%0.53643%0.431SS..THydrogen-bonded Turntrans94.910.6176.800000116.2E42E42-G44 PolarHBondContact O-N 3.29Å; E42-G44 VanDerWaalsContact O-N 3.13Å
45S81.6Confident76.1Confident35 Ų3570.2 Ų70.225%0.24539%0.393CS..  trans-77.6129170-520000110.5E42 V72E42-S45 WeakPolarHBondContact CB-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.43Å; E42-S45 VanDerWaalsContact O-N 3.13Å; E42-S45 PolarHBondContact O-OG 3.26Å; S45-V72 CarbonylContact C-O 3.49Å; S45-V72 WeakPolarHBondContact CA-O 3.42Å
46I87.3Confident77.5Confident52 Ų5266.7 Ų66.727%0.26737%0.369SS..SBendtrans-85-20.9179.559.9152.5000113.1V72 P74 K150 A154I46-V72 HydrophobicContact CD1-CG1 4.05Å; I46-V72 HydrophobicContact CG1-CB 4.04Å; I46-V72 HydrophobicContact CG1-CG1 3.95Å; I46-V72 VanDerWaalsContact CG1-O 3.28Å; I46-V72 WeakPolarHBondContact CG1-O 3.4Å; I46-V72 PolarHBondContact N-O 3.36Å; I46-P74 HydrophobicContact CG2-CG 3.87Å; I46-K150 HydrophobicContact CD1-CB 4.28Å; I46-K150 HydrophobicContact CD1-CD 4.26Å; I46-K150 VanDerWaalsContact CD1-O 3.29Å; I46-K150 WeakPolarHBondContact CD1-O 3.29Å; I46-A154 HydrophobicContact CD1-CB 3.65Å; I46-A154 HydrophobicContact CG1-CB 4.49Å
47H90.4Very high79.1Confident34 Ų3463.3 Ų63.316%0.15735%0.347CS..EExtended strand (participates in β ladder)trans-158.7141.3-176.6-17261.4000109.7V72 K150H47-V72 HydrophobicContact CB-CB 4.46Å; H47-V72 PolarHBondContact O-N 3.08Å; H47-K150 HydrophobicContact CB-CB 4.01Å; H47-K150 HydrophobicContact CB-CD 4.1Å; H47-K150 HydrophobicContact CB-CG 3.91Å
48D92.3Very high80.7Confident93 Ų9365 Ų6550%0.49735%0.351SS..EExtended strand (participates in β ladder)trans-127.2139173.267.3-68.3000110.9L70 Y71D48-L70 CarbonylContact C-O 3.59Å; D48-L70 WeakPolarHBondContact CA-O 3.47Å; D48-Y71 HydrophobicContact CB-CD1 3.7Å; D48-Y71 HydrophobicContact CB-CE1 3.73Å
49V94.2Very high82.2Confident8 Ų865.5 Ų65.55%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-149.2139.7178.766.50000111.5C51 L70 V138 Q143 L147V49-C51 PolarHBondContact O-N 3.18Å; V49-L70 HydrophobicContact CG1-CB 4.05Å; V49-L70 HydrophobicContact CG1-CD2 3.95Å; V49-L70 HydrophobicContact CG1-CG 4.38Å; V49-L70 PolarHBondContact N-O 3.43Å; V49-L70 WeakPolarHBondContact O-CB 3.16Å; V49-L70 PolarHBondContact O-N 2.78Å; V49-V138 HydrophobicContact CG1-CG1 4.39Å; V49-V138 HydrophobicContact CG2-CG1 4.11Å; V49-Q143 HydrophobicContact CG2-CB 4.31Å; V49-Q143 HydrophobicContact CG2-CG 4.45Å; V49-L147 HydrophobicContact CG1-CD1 3.95Å; V49-L147 HydrophobicContact CG1-CD2 4.08Å; V49-L147 HydrophobicContact CG1-CG 4.45Å
50R94.5Very high83.6Confident139 Ų13967.4 Ų67.453%0.52535%0.352SS..EExtended strand (participates in β ladder)trans-71.8125.2173.1-168.7167.8-175.7-164.62.4110.3I67 Q69 D87R50-I67 HydrophobicContact CG-CG2 4.39Å; R50-Q69 VanDerWaalsContact CA-OE1 3.29Å; R50-D87 IonicContact CZ-OD2 3.2Å; R50-D87 IonicContact NE-OD2 3.03Å; R50-D87 PolarHBondContact NE-OD2 2.9Å; R50-D87 IonicContact NH2-OD2 2.66Å; R50-D87 PolarHBondContact NH2-OD2 2.67Å
51C94.5Very high85.2Confident4 Ų468.9 Ų68.93%0.02736%0.355CS..EExtended strand (participates in β ladder)trans-139.1158.5178.672.20000112.5V49 G68 R137 V138V49-C51 PolarHBondContact O-N 3.18Å; C51-G68 PolarHBondContact N-O 3.1Å; C51-G68 PolarHBondContact O-N 2.94Å; C51-G68 VanDerWaalsContact O-O 3.08Å; C51-R137 CarbonylContact C-O 3.49Å; C51-R137 VanDerWaalsContact CA-O 3.29Å; C51-R137 WeakPolarHBondContact CA-O 3.41Å; C51-V138 HydrophobicContact CB-CG1 4.2Å
52K95.6Very high86.9Confident63 Ų6369.2 Ų69.227%0.27434%0.344SS..EExtended strand (participates in β ladder)trans-105.5123.4169.3-173.1165.2174-174.60109Y54 I67 R137K52-Y54 HydrophobicContact CB-CE2 3.99Å; K52-Y54 HydrophobicContact CD-CE1 4.45Å; K52-Y54 HydrophobicContact CD-CE2 3.95Å; K52-Y54 WeakPolarHBondContact CD-OH 3.36Å; K52-Y54 VanDerWaalsContact CE-CZ 3.48Å; K52-Y54 WeakPolarHBondContact CE-OH 3.19Å; K52-Y54 HydrophobicContact CG-CD2 4.33Å; K52-Y54 HydrophobicContact CG-CE2 3.59Å; K52-Y54 PolarHBondContact NZ-OH 2.99Å; K52-I67 HydrophobicContact CB-CG1 4.07Å; K52-I67 HydrophobicContact CD-CD1 4.24Å; K52-I67 HydrophobicContact CD-CG1 3.88Å; K52-I67 HydrophobicContact CG-CG1 3.8Å; K52-R137 PolarHBondContact N-O 3.23Å; K52-R137 PolarHBondContact O-N 3.25Å
53L94.7Very high88.4Confident1 Ų170.4 Ų70.41%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-93131.4-178.9176.162.1000110.4Y55 F65 G66 I84 F95 A134 L136L53-Y55 HydrophobicContact CD1-CE1 4.36Å; L53-Y55 HydrophobicContact CD1-CE2 4.2Å; L53-Y55 HydrophobicContact CD2-CE2 3.62Å; L53-Y55 HydrophobicContact CG-CD2 4.3Å; L53-Y55 HydrophobicContact CG-CE2 3.82Å; L53-F65 HydrophobicContact CB-CB 4.5Å; L53-F65 HydrophobicContact CD2-CB 4.28Å; L53-F65 HydrophobicContact CD2-CD1 3.8Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CB 4.12Å; L53-F65 PolarHBondContact O-N 3.34Å; L53-G66 PolarHBondContact N-O 2.78Å; L53-I84 HydrophobicContact CB-CD1 4.43Å; L53-I84 HydrophobicContact CD2-CD1 4.27Å; L53-F95 HydrophobicContact CD1-CD2 4.28Å; L53-F95 HydrophobicContact CD1-CE2 4.39Å; L53-F95 HydrophobicContact CD2-CB 3.93Å; L53-F95 HydrophobicContact CD2-CD2 4Å; L53-F95 HydrophobicContact CD2-CG 4.24Å; L53-A134 HydrophobicContact CD1-CB 4.21Å; L53-L136 HydrophobicContact CB-CD2 4.37Å; L53-L136 HydrophobicContact CD1-CD2 3.52Å; L53-L136 HydrophobicContact CG-CD2 4.5Å
54Y94.5Very high89.7Confident39 Ų3969.2 Ų69.215%0.15335%0.345CS..EExtended strand (participates in β ladder)trans-125.5150.8171.6-58-97.4000109.8K52 N63 D64 A134 L135 R137K52-Y54 HydrophobicContact CB-CE2 3.99Å; K52-Y54 HydrophobicContact CD-CE1 4.45Å; K52-Y54 HydrophobicContact CD-CE2 3.95Å; K52-Y54 WeakPolarHBondContact CD-OH 3.36Å; K52-Y54 VanDerWaalsContact CE-CZ 3.48Å; K52-Y54 WeakPolarHBondContact CE-OH 3.19Å; K52-Y54 HydrophobicContact CG-CD2 4.33Å; K52-Y54 HydrophobicContact CG-CE2 3.59Å; K52-Y54 PolarHBondContact NZ-OH 2.99Å; Y54-N63 CarbonylContact C-O 3.55Å; Y54-N63 WeakPolarHBondContact CA-O 3.39Å; Y54-N63 WeakPolarHBondContact CB-O 3.34Å; Y54-D64 HydrophobicContact CD1-CB 4.06Å; Y54-D64 HydrophobicContact CE1-CB 3.98Å; Y54-A134 CarbonylContact O-C 3.54Å; Y54-A134 WeakPolarHBondContact O-CA 3.34Å; Y54-L135 PolarHBondContact N-O 3.33Å; Y54-L135 PolarHBondContact O-N 3.16Å; Y54-R137 HydrophobicContact CD2-CG 4.31Å; Y54-R137 HydrophobicContact CE2-CB 4.12Å; Y54-R137 HydrophobicContact CE2-CG 3.96Å
55Y92.2Very high90.6Very high3 Ų370.2 Ų70.21%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-125.3145.5171.6-68.3-79.7000111.3L53 Y62 N63 F65 F95 P119 I123 T132 V133 A134L53-Y55 HydrophobicContact CD1-CE1 4.36Å; L53-Y55 HydrophobicContact CD1-CE2 4.2Å; L53-Y55 HydrophobicContact CD2-CE2 3.62Å; L53-Y55 HydrophobicContact CG-CD2 4.3Å; L53-Y55 HydrophobicContact CG-CE2 3.82Å; Y55-Y62 CarbonylContact O-C 3.34Å; Y55-Y62 WeakPolarHBondContact O-CA 3.35Å; Y55-N63 PolarHBondContact N-O 2.75Å; Y55-N63 PolarHBondContact O-N 2.53Å; Y55-F65 HydrophobicContact CD2-CB 3.75Å; Y55-F65 HydrophobicContact CD2-CD2 4.14Å; Y55-F65 AromaticContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CE2-CB 3.8Å; Y55-F65 AromaticContact CE2-CD1 3.95Å; Y55-F65 HydrophobicContact CE2-CD1 3.95Å; Y55-F65 AromaticContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CE1 4.47Å; Y55-F65 AromaticContact CE2-CG 3.63Å; Y55-F65 HydrophobicContact CE2-CG 3.63Å; Y55-F95 HydrophobicContact CE1-CD2 4.4Å; Y55-F95 HydrophobicContact CE1-CE2 4.15Å; Y55-F95 VanDerWaalsContact OH-CD2 3.24Å; Y55-F95 WeakPolarHBondContact OH-CD2 3.34Å; Y55-P119 HydrophobicContact CE1-CB 3.8Å; Y55-I123 HydrophobicContact CD1-CD1 3.34Å; Y55-I123 HydrophobicContact CD1-CG1 4.38Å; Y55-I123 HydrophobicContact CD2-CD1 3.47Å; Y55-I123 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I123 HydrophobicContact CD2-CG1 3.95Å; Y55-I123 HydrophobicContact CD2-CG2 3.75Å; Y55-I123 HydrophobicContact CE1-CD1 3.6Å; Y55-I123 HydrophobicContact CE1-CG1 4.24Å; Y55-I123 HydrophobicContact CE2-CD1 3.72Å; Y55-I123 HydrophobicContact CE2-CG1 3.79Å; Y55-I123 HydrophobicContact CE2-CG2 4Å; Y55-I123 HydrophobicContact CG-CD1 3.23Å; Y55-I123 HydrophobicContact CG-CG1 4.21Å; Y55-I123 HydrophobicContact CG-CG2 4.45Å; Y55-T132 HydrophobicContact CD1-CG2 4.16Å; Y55-V133 WeakPolarHBondContact CA-O 3.28Å; Y55-A134 HydrophobicContact CD1-CB 3.87Å; Y55-A134 HydrophobicContact CE1-CB 3.76Å
56M90Very high91.2Very high52 Ų5269.7 Ų69.726%0.25634%0.335SS..EExtended strand (participates in β ladder)trans-85.9124.6175.6-166.8169.4-164.600110.5K60 K61 Y62 T132 V133M56-K60 VanDerWaalsContact CE-CA 3.48Å; M56-K60 HydrophobicContact CE-CB 3.47Å; M56-K60 VanDerWaalsContact CE-CB 3.47Å; M56-K60 HydrophobicContact CE-CG 3.93Å; M56-K61 CarbonylContact C-O 3.58Å; M56-K61 WeakPolarHBondContact CA-O 3.37Å; M56-Y62 HydrophobicContact CB-CD1 4.34Å; M56-Y62 HydrophobicContact CB-CE1 4.17Å; M56-T132 WeakPolarHBondContact O-CG2 3.45Å; M56-V133 HydrophobicContact CB-CB 3.81Å; M56-V133 HydrophobicContact CB-CG2 4.44Å; M56-V133 PolarHBondContact N-O 2.77Å; M56-V133 HydrophobicContact SD-CB 4.09Å; M56-V133 HydrophobicContact SD-CG2 3.98Å
57D87.4Confident91.6Very high31 Ų3170.8 Ų70.817%0.16634%0.34CS..  trans-77.6170.9173.2-80.9-1.7000113.3D59 K60 K61 N63 K124D57-D59 PolarHBondContact O-N 3.29Å; D57-K60 WeakPolarHBondContact O-CA 3.47Å; D57-K60 PolarHBondContact O-N 3.2Å; D57-K61 PolarHBondContact N-O 3.34Å; D57-N63 PolarHBondContact OD1-ND2 3.36Å; D57-N63 PolarHBondContact OD2-ND2 3.12Å; D57-K124 WeakPolarHBondContact OD1-CE 3.29Å; D57-K124 IonicContact OD1-NZ 2.67Å; D57-K124 PolarHBondContact OD1-NZ 3.13Å; D57-K124 IonicContact OD2-NZ 3.21Å; D57-K124 PolarHBondContact OD2-NZ 3.33Å
58D84.8Confident91.8Very high146 Ų14669.2 Ų69.278%0.78133%0.333SS*.THydrogen-bonded Turntrans-53.6-34.5168.7-55.5-43.2000112.3K60D58-K60 PolarHBondContact O-N 3.26Å; D58-K60 VanDerWaalsContact O-N 3.16Å
59D86.8Confident91.8Very high119 Ų11967.1 Ų67.164%0.63632%0.32SS*.THydrogen-bonded Turntrans-75.17.6174.8-69.7-30.2000113.8D57 K61D57-D59 PolarHBondContact O-N 3.29Å; D59-K61 HydrophobicContact CB-CD 4.32Å; D59-K61 HydrophobicContact CB-CG 4.43Å; D59-K61 PolarHBondContact O-N 2.57Å
60K85.5Confident91.9Very high167 Ų16766.7 Ų66.773%0.72632%0.318SS*.SBendtrans59.827.8-177.7-58-177.2-177.9-178.20114.1M56 D57 D58M56-K60 VanDerWaalsContact CE-CA 3.48Å; M56-K60 HydrophobicContact CE-CB 3.47Å; M56-K60 VanDerWaalsContact CE-CB 3.47Å; M56-K60 HydrophobicContact CE-CG 3.93Å; D57-K60 WeakPolarHBondContact O-CA 3.47Å; D57-K60 PolarHBondContact O-N 3.2Å; D58-K60 PolarHBondContact O-N 3.26Å; D58-K60 VanDerWaalsContact O-N 3.16Å
61K90.6Very high91.8Very high133 Ų13361.4 Ų61.458%0.57830%0.298SS*.  trans-104.7141176.7-68.2172.9-173.9163.40110.4M56 D57 D59 N63M56-K61 CarbonylContact C-O 3.58Å; M56-K61 WeakPolarHBondContact CA-O 3.37Å; D57-K61 PolarHBondContact N-O 3.34Å; D59-K61 HydrophobicContact CB-CD 4.32Å; D59-K61 HydrophobicContact CB-CG 4.43Å; D59-K61 PolarHBondContact O-N 2.57Å; K61-N63 PolarHBondContact O-ND2 3.42Å
62Y90.4Very high91.8Very high106 Ų10661.2 Ų61.242%0.41630%0.297SS..EExtended strand (participates in β ladder)trans-83.8120.2173.6-71-76.9000110.3Y55 M56 L135Y55-Y62 CarbonylContact O-C 3.34Å; Y55-Y62 WeakPolarHBondContact O-CA 3.35Å; M56-Y62 HydrophobicContact CB-CD1 4.34Å; M56-Y62 HydrophobicContact CB-CE1 4.17Å; Y62-L135 HydrophobicContact CD1-CB 3.97Å; Y62-L135 HydrophobicContact CD1-CD2 3.85Å; Y62-L135 HydrophobicContact CE1-CB 3.66Å; Y62-L135 HydrophobicContact CE1-CD2 3.78Å; Y62-L135 HydrophobicContact CE1-CG 4.31Å; Y62-L135 HydrophobicContact CE2-CD2 4.46Å; Y62-L135 HydrophobicContact CG-CD2 4.23Å
63N92Very high91.7Very high63 Ų6361.2 Ų61.234%0.33730%0.297SS..EExtended strand (participates in β ladder)trans-101.7141.4171.2-62-86.4000109.7Y54 Y55 D57 K61Y54-N63 CarbonylContact C-O 3.55Å; Y54-N63 WeakPolarHBondContact CA-O 3.39Å; Y54-N63 WeakPolarHBondContact CB-O 3.34Å; Y55-N63 PolarHBondContact N-O 2.75Å; Y55-N63 PolarHBondContact O-N 2.53Å; D57-N63 PolarHBondContact OD1-ND2 3.36Å; D57-N63 PolarHBondContact OD2-ND2 3.12Å; K61-N63 PolarHBondContact O-ND2 3.42Å
64D92.8Very high91.5Very high113 Ų11361.9 Ų61.960%0.60430%0.301SS*.EExtended strand (participates in β ladder)trans-75127.7172.458-45.1000110.5Y54Y54-D64 HydrophobicContact CD1-CB 4.06Å; Y54-D64 HydrophobicContact CE1-CB 3.98Å
65F91.2Very high91.3Very high74 Ų7461.8 Ų61.833%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-99.3-40.1175.3-167-109.4000112L53 Y55 I94 I123L53-F65 HydrophobicContact CB-CB 4.5Å; L53-F65 HydrophobicContact CD2-CB 4.28Å; L53-F65 HydrophobicContact CD2-CD1 3.8Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CB 4.12Å; L53-F65 PolarHBondContact O-N 3.34Å; Y55-F65 HydrophobicContact CD2-CB 3.75Å; Y55-F65 HydrophobicContact CD2-CD2 4.14Å; Y55-F65 AromaticContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CD2-CG 3.96Å; Y55-F65 HydrophobicContact CE2-CB 3.8Å; Y55-F65 AromaticContact CE2-CD1 3.95Å; Y55-F65 HydrophobicContact CE2-CD1 3.95Å; Y55-F65 AromaticContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CD2 3.97Å; Y55-F65 HydrophobicContact CE2-CE1 4.47Å; Y55-F65 AromaticContact CE2-CG 3.63Å; Y55-F65 HydrophobicContact CE2-CG 3.63Å; F65-I94 HydrophobicContact CD1-CB 3.81Å; F65-I94 HydrophobicContact CD1-CG2 4.28Å; F65-I94 HydrophobicContact CE1-CB 3.49Å; F65-I94 VanDerWaalsContact CE1-CB 3.49Å; F65-I94 HydrophobicContact CE1-CG2 3.83Å; F65-I94 WeakPolarHBondContact CE1-O 3.44Å; F65-I123 HydrophobicContact CD2-CG2 3.27Å; F65-I123 HydrophobicContact CE2-CB 4.21Å; F65-I123 HydrophobicContact CE2-CG2 3.28Å; F65-I123 HydrophobicContact CG-CG2 4.33Å; F65-I123 HydrophobicContact CZ-CG2 4.34Å
66G93.9Very high91.1Very high23 Ų2366.1 Ų66.124%0.23733%0.33CS..EExtended strand (participates in β ladder)trans165.6175.8-179.400000113.7L53L53-G66 PolarHBondContact N-O 2.78Å
67I94.9Very high90.9Very high76 Ų7665.8 Ų65.839%0.3933%0.333SS..EExtended strand (participates in β ladder)trans-112138.7173.6-60.6168.5000107.3R50 K52 D87R50-I67 HydrophobicContact CG-CG2 4.39Å; K52-I67 HydrophobicContact CB-CG1 4.07Å; K52-I67 HydrophobicContact CD-CD1 4.24Å; K52-I67 HydrophobicContact CD-CG1 3.88Å; K52-I67 HydrophobicContact CG-CG1 3.8Å; I67-D87 PolarHBondContact O-N 2.76Å
68G94.6Very high90.9Very high0 Ų064.4 Ų64.40%033%0.326CS..EExtended strand (participates in β ladder)trans-163.3174.8-17900000113.8C51 R85C51-G68 PolarHBondContact N-O 3.1Å; C51-G68 PolarHBondContact O-N 2.94Å; C51-G68 VanDerWaalsContact O-O 3.08Å; G68-R85 CarbonylContact C-O 3.53Å; G68-R85 WeakPolarHBondContact CA-O 3.26Å
69Q93.7Very high91.3Very high49 Ų4962.9 Ų62.923%0.22931%0.309CS..EExtended strand (participates in β ladder)trans-88.8115.9172.5-62.1-59.5101.200108.6R50 Y71 I84 R85R50-Q69 VanDerWaalsContact CA-OE1 3.29Å; Q69-Y71 HydrophobicContact CB-CE2 3.68Å; Q69-Y71 WeakPolarHBondContact O-CD2 3.44Å; Q69-Y71 WeakPolarHBondContact O-CE2 3.46Å; Q69-I84 VanDerWaalsContact O-CA 3.27Å; Q69-I84 WeakPolarHBondContact O-CA 3.46Å; Q69-R85 PolarHBondContact N-O 3Å; Q69-R85 PolarHBondContact O-N 3.05Å
70L94.4Very high91.6Very high0 Ų057.2 Ų57.20%028%0.279CS..EExtended strand (participates in β ladder)trans-82.8130.4171.4172.567.4000109.2D48 V49 L82 I83 I84 L136 L147D48-L70 CarbonylContact C-O 3.59Å; D48-L70 WeakPolarHBondContact CA-O 3.47Å; V49-L70 HydrophobicContact CG1-CB 4.05Å; V49-L70 HydrophobicContact CG1-CD2 3.95Å; V49-L70 HydrophobicContact CG1-CG 4.38Å; V49-L70 PolarHBondContact N-O 3.43Å; V49-L70 WeakPolarHBondContact O-CB 3.16Å; V49-L70 PolarHBondContact O-N 2.78Å; L70-L82 HydrophobicContact CD1-CB 4.03Å; L70-L82 HydrophobicContact CD1-CD2 4.36Å; L70-I83 CarbonylContact C-O 3.57Å; L70-I83 VanDerWaalsContact CA-O 3.29Å; L70-I83 WeakPolarHBondContact CA-O 3.37Å; L70-I84 HydrophobicContact CB-CG1 3.95Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å; L70-I84 HydrophobicContact CD1-CG1 3.5Å; L70-I84 HydrophobicContact CG-CG1 4.33Å; L70-L136 HydrophobicContact CD2-CD1 4.17Å; L70-L147 HydrophobicContact CD2-CD1 3.73Å; L70-L147 HydrophobicContact CD2-CD2 3.74Å; L70-L147 HydrophobicContact CD2-CG 4.37Å
71Y93.9Very high92Very high27 Ų2751.2 Ų51.211%0.10625%0.253CS..EExtended strand (participates in β ladder)trans-115.5131.7173.1-60-85.1000109E42 D48 Q69 I83 R85E42-Y71 HydrophobicContact CB-CD1 4.44Å; D48-Y71 HydrophobicContact CB-CD1 3.7Å; D48-Y71 HydrophobicContact CB-CE1 3.73Å; Q69-Y71 HydrophobicContact CB-CE2 3.68Å; Q69-Y71 WeakPolarHBondContact O-CD2 3.44Å; Q69-Y71 WeakPolarHBondContact O-CE2 3.46Å; Y71-I83 HydrophobicContact CD2-CG2 4.47Å; Y71-I83 PolarHBondContact N-O 3.48Å; Y71-I83 PolarHBondContact O-N 2.85Å; Y71-R85 HydrophobicContact CD2-CG 4.43Å; Y71-R85 HydrophobicContact CE2-CB 4.21Å; Y71-R85 HydrophobicContact CE2-CG 4.06Å
72V94.5Very high92.1Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-103115.3175.8-176.20000108.3S45 I46 H47 V80 L82 L147 I151 A154S45-V72 CarbonylContact C-O 3.49Å; S45-V72 WeakPolarHBondContact CA-O 3.42Å; I46-V72 HydrophobicContact CD1-CG1 4.05Å; I46-V72 HydrophobicContact CG1-CB 4.04Å; I46-V72 HydrophobicContact CG1-CG1 3.95Å; I46-V72 VanDerWaalsContact CG1-O 3.28Å; I46-V72 WeakPolarHBondContact CG1-O 3.4Å; I46-V72 PolarHBondContact N-O 3.36Å; H47-V72 HydrophobicContact CB-CB 4.46Å; H47-V72 PolarHBondContact O-N 3.08Å; V72-V80 HydrophobicContact CG1-CG1 3.58Å; V72-L82 HydrophobicContact CB-CD2 4.37Å; V72-L82 HydrophobicContact CG1-CD2 4.19Å; V72-L82 HydrophobicContact CG2-CD2 3.91Å; V72-L147 HydrophobicContact CG2-CD1 3.78Å; V72-I151 HydrophobicContact CG1-CG1 4.29Å; V72-I151 HydrophobicContact CG2-CG1 4.24Å; V72-A154 HydrophobicContact CG1-CB 3.86Å
73K92.1Very high92.3Very high64 Ų6440.2 Ų40.228%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-123.7113.2-176.2179.2167.1177155.30111.4D43 L75 V80 Q81D43-K73 PolarHBondContact O-NZ 3.23Å; K73-L75 HydrophobicContact CG-CD1 3.98Å; K73-L75 WeakPolarHBondContact O-CD1 3.35Å; K73-V80 CarbonylContact O-C 3.57Å; K73-Q81 HydrophobicContact CB-CB 4.38Å; K73-Q81 PolarHBondContact N-O 3.36Å; K73-Q81 PolarHBondContact O-N 2.81Å
74P92.1Very high92.4Very high15 Ų1537.2 Ų37.210%0.09719%0.192CC..EExtended strand (participates in β ladder)trans-69.7135.3171.729-32.7000110.4I46 A154 E157 A158 L161I46-P74 HydrophobicContact CG2-CG 3.87Å; P74-A154 HydrophobicContact CB-CB 4.4Å; P74-E157 HydrophobicContact CB-CB 4.43Å; P74-E157 HydrophobicContact CB-CG 4.4Å; P74-E157 HydrophobicContact CG-CG 4.44Å; P74-A158 HydrophobicContact CB-CB 4.16Å; P74-L161 HydrophobicContact CB-CD1 4.47Å
75L90.4Very high92.4Very high36 Ų3634.6 Ų34.619%0.18817%0.174CC..  trans-105.6146.8176.4-90.455.8000110.8K73 S77 G78 R79 Q81K73-L75 HydrophobicContact CG-CD1 3.98Å; K73-L75 WeakPolarHBondContact O-CD1 3.35Å; L75-S77 PolarHBondContact O-N 3.31Å; L75-S77 VanDerWaalsContact O-N 3.1Å; L75-G78 PolarHBondContact O-N 2.73Å; L75-R79 WeakPolarHBondContact CB-O 3.4Å; L75-R79 PolarHBondContact N-O 3.04Å; L75-Q81 HydrophobicContact CD1-CB 3.47Å; L75-Q81 VanDerWaalsContact CD1-CB 3.47Å; L75-Q81 HydrophobicContact CD2-CB 4.36Å
76T87.2Confident92.6Very high95 Ų9531.9 Ų31.958%0.58316%0.164SC*.THydrogen-bonded Turntrans-59.6-19.7169.755.60000113.2G78 R162T76-G78 PolarHBondContact O-N 2.78Å; T76-R162 WeakPolarHBondContact O-CA 3.22Å
77S86Confident92.4Very high45 Ų4535 Ų3532%0.31518%0.176SC..THydrogen-bonded Turntrans-69.8-2.7170.7720000114L75 R79 R162L75-S77 PolarHBondContact O-N 3.31Å; L75-S77 VanDerWaalsContact O-N 3.1Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact OG-NE 2.75Å; S77-R162 VanDerWaalsContact O-CZ 3.23Å; S77-R162 PolarHBondContact O-NE 3.04Å; S77-R162 PolarHBondContact O-NH2 3.06Å
78G88Confident92.2Very high1 Ų135.3 Ų35.31%0.0118%0.178CC..SBendtrans71.826.1-174.900000115L75 T76 A158 R162L75-G78 PolarHBondContact O-N 2.73Å; T76-G78 PolarHBondContact O-N 2.78Å; G78-A158 VanDerWaalsContact CA-C 3.5Å; G78-A158 WeakPolarHBondContact CA-O 3.12Å; G78-R162 VanDerWaalsContact CA-NH2 3.28Å; G78-R162 PolarHBondContact O-NH2 3.1Å
79R92.1Very high91.9Very high114 Ų11441.8 Ų41.843%0.4322%0.223SC..  trans-114.8160.7172-64.5-175.3-70.3-179.5-0.3108.5L75 S77 A98 I99 D100 A158L75-R79 WeakPolarHBondContact CB-O 3.4Å; L75-R79 PolarHBondContact N-O 3.04Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact OG-NE 2.75Å; R79-A98 HydrophobicContact CB-CB 4.26Å; R79-I99 CarbonylContact C-O 3.53Å; R79-I99 WeakPolarHBondContact CA-O 3.18Å; R79-I99 WeakPolarHBondContact CB-O 3.31Å; R79-D100 HydrophobicContact CG-CB 4.24Å; R79-A158 WeakPolarHBondContact O-CB 3.46Å
80V93.6Very high91.6Very high1 Ų147 Ų471%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-110.1120.8172.5-177.60000107.2V72 K73 L82 A98 I99 A154 K155 A158V72-V80 HydrophobicContact CG1-CG1 3.58Å; K73-V80 CarbonylContact O-C 3.57Å; V80-L82 HydrophobicContact CG1-CD2 4.33Å; V80-A98 CarbonylContact O-C 3.5Å; V80-A98 WeakPolarHBondContact O-CA 3.24Å; V80-I99 HydrophobicContact CB-CD1 4.28Å; V80-I99 HydrophobicContact CB-CG1 3.88Å; V80-I99 PolarHBondContact N-O 2.96Å; V80-I99 WeakPolarHBondContact O-CG1 3.43Å; V80-I99 PolarHBondContact O-N 2.93Å; V80-A154 HydrophobicContact CB-CB 4.24Å; V80-A154 HydrophobicContact CG1-CB 3.62Å; V80-A154 HydrophobicContact CG2-CB 3.55Å; V80-A154 WeakPolarHBondContact CG2-O 3.05Å; V80-K155 HydrophobicContact CG2-CB 4.38Å; V80-K155 HydrophobicContact CG2-CG 3.89Å; V80-A158 HydrophobicContact CG2-CB 4.31Å
81Q93.2Very high91.3Very high40 Ų4048.3 Ų48.319%0.18727%0.266CS..EExtended strand (participates in β ladder)trans-87125.6175-165.5-179.1-14.200109.1K73 L75 I83 N96 V97K73-Q81 HydrophobicContact CB-CB 4.38Å; K73-Q81 PolarHBondContact N-O 3.36Å; K73-Q81 PolarHBondContact O-N 2.81Å; L75-Q81 HydrophobicContact CD1-CB 3.47Å; L75-Q81 VanDerWaalsContact CD1-CB 3.47Å; L75-Q81 HydrophobicContact CD2-CB 4.36Å; Q81-I83 HydrophobicContact CG-CD1 4.09Å; Q81-I83 HydrophobicContact CG-CG1 3.83Å; Q81-N96 PolarHBondContact NE2-OD1 3.46Å; Q81-V97 CarbonylContact C-O 3.5Å; Q81-V97 WeakPolarHBondContact CA-O 3.17Å
82L94.1Very high91.1Very high0 Ų051.7 Ų51.70%029%0.286CS..EExtended strand (participates in β ladder)trans-104.2116.1172.6-61.1-178.8000107.6L70 V72 V80 F95 N96 V97 I99 I115 I151L70-L82 HydrophobicContact CD1-CB 4.03Å; L70-L82 HydrophobicContact CD1-CD2 4.36Å; V72-L82 HydrophobicContact CB-CD2 4.37Å; V72-L82 HydrophobicContact CG1-CD2 4.19Å; V72-L82 HydrophobicContact CG2-CD2 3.91Å; V80-L82 HydrophobicContact CG1-CD2 4.33Å; L82-F95 HydrophobicContact CB-CD1 4.2Å; L82-F95 HydrophobicContact CB-CE1 3.9Å; L82-F95 HydrophobicContact CD1-CE1 4.41Å; L82-N96 WeakPolarHBondContact O-CA 3.04Å; L82-V97 HydrophobicContact CB-CG2 4.09Å; L82-V97 PolarHBondContact N-O 2.7Å; L82-V97 PolarHBondContact O-N 2.64Å; L82-I99 HydrophobicContact CD1-CD1 3.92Å; L82-I99 HydrophobicContact CD1-CG1 4.27Å; L82-I99 HydrophobicContact CD1-CG2 4.2Å; L82-I99 HydrophobicContact CG-CD1 4.24Å; L82-I99 HydrophobicContact CG-CG1 4.28Å; L82-I115 HydrophobicContact CD1-CD1 3.66Å; L82-I151 HydrophobicContact CD2-CG1 4.36Å
83I94.1Very high90.9Very high9 Ų954.3 Ų54.35%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-117.5127.3-176.2-64.2171000107.5E42 L70 Y71 Q81 R85 L93 F95E42-I83 VanDerWaalsContact OE2-CD1 3.26Å; E42-I83 WeakPolarHBondContact OE2-CD1 3.47Å; E42-I83 WeakPolarHBondContact OE2-CG2 3.33Å; L70-I83 CarbonylContact C-O 3.57Å; L70-I83 VanDerWaalsContact CA-O 3.29Å; L70-I83 WeakPolarHBondContact CA-O 3.37Å; Y71-I83 HydrophobicContact CD2-CG2 4.47Å; Y71-I83 PolarHBondContact N-O 3.48Å; Y71-I83 PolarHBondContact O-N 2.85Å; Q81-I83 HydrophobicContact CG-CD1 4.09Å; Q81-I83 HydrophobicContact CG-CG1 3.83Å; I83-R85 HydrophobicContact CG2-CG 4.33Å; I83-L93 HydrophobicContact CG2-CD1 3.54Å; I83-F95 CarbonylContact C-O 3.57Å; I83-F95 VanDerWaalsContact CA-O 3.32Å; I83-F95 WeakPolarHBondContact CA-O 3.38Å
84I94.2Very high90.9Very high0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-117.5120.3171.3-53.5170.2000108.8L53 Q69 L70 I94 F95 L136L53-I84 HydrophobicContact CB-CD1 4.43Å; L53-I84 HydrophobicContact CD2-CD1 4.27Å; Q69-I84 VanDerWaalsContact O-CA 3.27Å; Q69-I84 WeakPolarHBondContact O-CA 3.46Å; L70-I84 HydrophobicContact CB-CG1 3.95Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å; L70-I84 HydrophobicContact CD1-CG1 3.5Å; L70-I84 HydrophobicContact CG-CG1 4.33Å; I84-I94 HydrophobicContact CB-CD1 4.36Å; I84-I94 HydrophobicContact CB-CG1 3.87Å; I84-I94 HydrophobicContact CG2-CD1 3.61Å; I84-I94 HydrophobicContact CG2-CG1 3.6Å; I84-I94 VanDerWaalsContact O-CG1 3.27Å; I84-I94 WeakPolarHBondContact O-CG1 3.42Å; I84-I94 PolarHBondContact O-N 3.4Å; I84-F95 HydrophobicContact CB-CB 3.59Å; I84-F95 HydrophobicContact CD1-CB 3.63Å; I84-F95 HydrophobicContact CD1-CD1 3.66Å; I84-F95 HydrophobicContact CD1-CE1 4.44Å; I84-F95 HydrophobicContact CD1-CG 3.81Å; I84-F95 HydrophobicContact CG1-CB 3.65Å; I84-F95 HydrophobicContact CG1-CD1 3.87Å; I84-F95 HydrophobicContact CG1-CG 4.14Å; I84-F95 PolarHBondContact N-O 3.39Å; I84-F95 PolarHBondContact O-N 3.36Å; I84-L136 HydrophobicContact CD1-CD2 3.38Å
85R92.6Very high91Very high58 Ų5851.1 Ų51.122%0.21929%0.285CS..EExtended strand (participates in β ladder)trans-98.4131.4171-64.2-175.1173.9-154.5-1.9109.5E42 G68 Q69 Y71 I83 N92E42-R85 IonicContact OE1-CZ 2.64Å; E42-R85 IonicContact OE1-NE 2.76Å; E42-R85 PolarHBondContact OE1-NE 2.8Å; E42-R85 IonicContact OE1-NH2 2.7Å; E42-R85 PolarHBondContact OE1-NH2 3.48Å; G68-R85 CarbonylContact C-O 3.53Å; G68-R85 WeakPolarHBondContact CA-O 3.26Å; Q69-R85 PolarHBondContact N-O 3Å; Q69-R85 PolarHBondContact O-N 3.05Å; Y71-R85 HydrophobicContact CD2-CG 4.43Å; Y71-R85 HydrophobicContact CE2-CB 4.21Å; Y71-R85 HydrophobicContact CE2-CG 4.06Å; I83-R85 HydrophobicContact CG2-CG 4.33Å; R85-N92 CarbonylContact C-O 3.45Å
86A94.2Very high91.1Very high16 Ų1651.3 Ų51.313%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-59.5143.9178.300000110.9N88 N92 I94A86-N88 PolarHBondContact O-N 2.82Å; A86-N92 HydrophobicContact CB-CB 4.36Å; A86-N92 WeakPolarHBondContact CB-O 3.42Å; A86-N92 PolarHBondContact N-O 3.15Å; A86-I94 HydrophobicContact CB-CG2 3.97Å
87D90.7Very high91.3Very high90 Ų9047.2 Ų47.248%0.48126%0.261SS..SBendtrans-79.762.6176.2-168.317.9000110.4R50 I67R50-D87 IonicContact CZ-OD2 3.2Å; R50-D87 IonicContact NE-OD2 3.03Å; R50-D87 PolarHBondContact NE-OD2 2.9Å; R50-D87 IonicContact NH2-OD2 2.66Å; R50-D87 PolarHBondContact NH2-OD2 2.67Å; I67-D87 PolarHBondContact O-N 2.76Å
88N90.2Very high91.6Very high81 Ų8147.1 Ų47.143%0.43326%0.263SS..SBendtrans-139.4162.5177.264.519.1000110.4A86 L90 G91 N92A86-N88 PolarHBondContact O-N 2.82Å; N88-L90 PolarHBondContact O-N 3.03Å; N88-L90 PolarHBondContact OD1-N 2.84Å; N88-G91 PolarHBondContact O-N 3.36Å; N88-G91 PolarHBondContact OD1-N 2.96Å; N88-N92 PolarHBondContact OD1-N 2.89Å
89S88.8Confident91.8Very high136 Ų13647 Ų4795%0.95126%0.262SS*.THydrogen-bonded Turntrans-59.6-21-178.6-50.80000114
90L88.1Confident91.7Very high158 Ų15844.1 Ų44.183%0.82726%0.255SS*.THydrogen-bonded Turntrans-83.4-20177.4-60.4176000112.7N88 N92N88-L90 PolarHBondContact O-N 3.03Å; N88-L90 PolarHBondContact OD1-N 2.84Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.13Å
91G86.3Confident91.4Very high29 Ų2948.6 Ų48.630%0.29928%0.276SS..  trans58.736.3-177.400000113.9N88N88-G91 PolarHBondContact O-N 3.36Å; N88-G91 PolarHBondContact OD1-N 2.96Å
92N90.4Very high91.1Very high97 Ų9751.2 Ų51.252%0.51930%0.299SS..  trans-60.8139.9-171.7-173.837000112.4R85 A86 N88 L90 I94R85-N92 CarbonylContact C-O 3.45Å; A86-N92 HydrophobicContact CB-CB 4.36Å; A86-N92 WeakPolarHBondContact CB-O 3.42Å; A86-N92 PolarHBondContact N-O 3.15Å; N88-N92 PolarHBondContact OD1-N 2.89Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.13Å; N92-I94 PolarHBondContact O-N 3.14Å
93L91.3Very high90.7Very high55 Ų5552.3 Ų52.329%0.28831%0.305SS..EExtended strand (participates in β ladder)trans-74.1116.8177.1-173.173000110.5I83 N96I83-L93 HydrophobicContact CG2-CD1 3.54Å; L93-N96 HydrophobicContact CD1-CB 4.15Å; L93-N96 HydrophobicContact CD2-CB 3.72Å; L93-N96 HydrophobicContact CG-CB 4.09Å
94I91.8Very high90.4Very high13 Ų1355.6 Ų55.67%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-109.2-15.9-178.656.9164.2000113.4F65 I84 A86 N92F65-I94 HydrophobicContact CD1-CB 3.81Å; F65-I94 HydrophobicContact CD1-CG2 4.28Å; F65-I94 HydrophobicContact CE1-CB 3.49Å; F65-I94 VanDerWaalsContact CE1-CB 3.49Å; F65-I94 HydrophobicContact CE1-CG2 3.83Å; F65-I94 WeakPolarHBondContact CE1-O 3.44Å; I84-I94 HydrophobicContact CB-CD1 4.36Å; I84-I94 HydrophobicContact CB-CG1 3.87Å; I84-I94 HydrophobicContact CG2-CD1 3.61Å; I84-I94 HydrophobicContact CG2-CG1 3.6Å; I84-I94 VanDerWaalsContact O-CG1 3.27Å; I84-I94 WeakPolarHBondContact O-CG1 3.42Å; I84-I94 PolarHBondContact O-N 3.4Å; A86-I94 HydrophobicContact CB-CG2 3.97Å; N92-I94 PolarHBondContact O-N 3.14Å
95F93Very high90.3Very high0 Ų057.3 Ų57.30%034%0.336CS..EExtended strand (participates in β ladder)trans-150.7131.5176.8-166.9-116.3000109.3L53 Y55 L82 I83 I84 V97 V117 N120 A134L53-F95 HydrophobicContact CD1-CD2 4.28Å; L53-F95 HydrophobicContact CD1-CE2 4.39Å; L53-F95 HydrophobicContact CD2-CB 3.93Å; L53-F95 HydrophobicContact CD2-CD2 4Å; L53-F95 HydrophobicContact CD2-CG 4.24Å; Y55-F95 HydrophobicContact CE1-CD2 4.4Å; Y55-F95 HydrophobicContact CE1-CE2 4.15Å; Y55-F95 VanDerWaalsContact OH-CD2 3.24Å; Y55-F95 WeakPolarHBondContact OH-CD2 3.34Å; L82-F95 HydrophobicContact CB-CD1 4.2Å; L82-F95 HydrophobicContact CB-CE1 3.9Å; L82-F95 HydrophobicContact CD1-CE1 4.41Å; I83-F95 CarbonylContact C-O 3.57Å; I83-F95 VanDerWaalsContact CA-O 3.32Å; I83-F95 WeakPolarHBondContact CA-O 3.38Å; I84-F95 HydrophobicContact CB-CB 3.59Å; I84-F95 HydrophobicContact CD1-CB 3.63Å; I84-F95 HydrophobicContact CD1-CD1 3.66Å; I84-F95 HydrophobicContact CD1-CE1 4.44Å; I84-F95 HydrophobicContact CD1-CG 3.81Å; I84-F95 HydrophobicContact CG1-CB 3.65Å; I84-F95 HydrophobicContact CG1-CD1 3.87Å; I84-F95 HydrophobicContact CG1-CG 4.14Å; I84-F95 PolarHBondContact N-O 3.39Å; I84-F95 PolarHBondContact O-N 3.36Å; F95-V97 HydrophobicContact CD1-CG2 3.97Å; F95-V97 HydrophobicContact CD2-CG1 4.24Å; F95-V97 HydrophobicContact CE1-CB 4.41Å; F95-V97 HydrophobicContact CE1-CG1 4.41Å; F95-V97 HydrophobicContact CE1-CG2 3.24Å; F95-V97 HydrophobicContact CE2-CG1 3.88Å; F95-V97 HydrophobicContact CE2-CG2 4.08Å; F95-V97 HydrophobicContact CZ-CB 4.3Å; F95-V97 HydrophobicContact CZ-CG1 3.99Å; F95-V97 HydrophobicContact CZ-CG2 3.31Å; F95-V117 HydrophobicContact CE2-CG2 3.87Å; F95-V117 HydrophobicContact CZ-CG2 3.83Å; F95-N120 CarbonylContact C-O 3.55Å; F95-A134 HydrophobicContact CE2-CB 3.87Å; F95-A134 HydrophobicContact CZ-CB 4.09Å
96N92.4Very high90.2Very high40 Ų4058.1 Ų58.121%0.21435%0.347CS..EExtended strand (participates in β ladder)trans-15286.6178.6-178.111.5000109.7Q81 L82 L93 N120Q81-N96 PolarHBondContact NE2-OD1 3.46Å; L82-N96 WeakPolarHBondContact O-CA 3.04Å; L93-N96 HydrophobicContact CD1-CB 4.15Å; L93-N96 HydrophobicContact CD2-CB 3.72Å; L93-N96 HydrophobicContact CG-CB 4.09Å; N96-N120 WeakPolarHBondContact CA-O 3.32Å; N96-N120 WeakPolarHBondContact CB-O 3.27Å; N96-N120 PolarHBondContact N-O 2.95Å; N96-N120 WeakPolarHBondContact O-CB 3.19Å; N96-N120 PolarHBondContact O-ND2 3.03Å
97V92.6Very high90Very high8 Ų862.7 Ų62.75%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-126.6141.6-177.4-56.40000110.2Q81 L82 F95 I99 V117 V118Q81-V97 CarbonylContact C-O 3.5Å; Q81-V97 WeakPolarHBondContact CA-O 3.17Å; L82-V97 HydrophobicContact CB-CG2 4.09Å; L82-V97 PolarHBondContact N-O 2.7Å; L82-V97 PolarHBondContact O-N 2.64Å; F95-V97 HydrophobicContact CD1-CG2 3.97Å; F95-V97 HydrophobicContact CD2-CG1 4.24Å; F95-V97 HydrophobicContact CE1-CB 4.41Å; F95-V97 HydrophobicContact CE1-CG1 4.41Å; F95-V97 HydrophobicContact CE1-CG2 3.24Å; F95-V97 HydrophobicContact CE2-CG1 3.88Å; F95-V97 HydrophobicContact CE2-CG2 4.08Å; F95-V97 HydrophobicContact CZ-CB 4.3Å; F95-V97 HydrophobicContact CZ-CG1 3.99Å; F95-V97 HydrophobicContact CZ-CG2 3.31Å; V97-I99 HydrophobicContact CG2-CG2 4.37Å; V97-V117 HydrophobicContact CB-CB 4.34Å; V97-V117 HydrophobicContact CB-CG1 4.4Å; V97-V117 HydrophobicContact CG1-CB 4.17Å; V97-V117 HydrophobicContact CG1-CG2 4.04Å; V97-V117 HydrophobicContact CG2-CB 4.42Å; V97-V117 HydrophobicContact CG2-CG1 4.13Å; V97-V117 HydrophobicContact CG2-CG2 4.35Å; V97-V118 WeakPolarHBondContact CG1-O 3.5Å
98A92.3Very high90Very high43 Ų4359.8 Ų59.836%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-101.9113.5171.100000108.9R79 V80R79-A98 HydrophobicContact CB-CB 4.26Å; V80-A98 CarbonylContact O-C 3.5Å; V80-A98 WeakPolarHBondContact O-CA 3.24Å
99I92.9Very high89.8Confident0 Ų059.4 Ų59.40%037%0.368CS..EExtended strand (participates in β ladder)trans-91.7145.6174.359162.1000109.8R79 V80 L82 V97 T103 I105 I115 V117 I151R79-I99 CarbonylContact C-O 3.53Å; R79-I99 WeakPolarHBondContact CA-O 3.18Å; R79-I99 WeakPolarHBondContact CB-O 3.31Å; V80-I99 HydrophobicContact CB-CD1 4.28Å; V80-I99 HydrophobicContact CB-CG1 3.88Å; V80-I99 PolarHBondContact N-O 2.96Å; V80-I99 WeakPolarHBondContact O-CG1 3.43Å; V80-I99 PolarHBondContact O-N 2.93Å; L82-I99 HydrophobicContact CD1-CD1 3.92Å; L82-I99 HydrophobicContact CD1-CG1 4.27Å; L82-I99 HydrophobicContact CD1-CG2 4.2Å; L82-I99 HydrophobicContact CG-CD1 4.24Å; L82-I99 HydrophobicContact CG-CG1 4.28Å; V97-I99 HydrophobicContact CG2-CG2 4.37Å; I99-T103 HydrophobicContact CB-CG2 4.11Å; I99-T103 HydrophobicContact CG2-CG2 3.94Å; I99-I105 HydrophobicContact CD1-CD1 3.72Å; I99-I115 HydrophobicContact CG2-CG2 4.18Å; I99-V117 HydrophobicContact CG2-CG1 3.98Å; I99-I151 HydrophobicContact CD1-CG2 3.73Å
100D90.1Very high89.8Confident52 Ų5261.6 Ų61.628%0.27836%0.361SS..  trans-104.1-179.217577-32.9000110.9R79 S102 T103 K155R79-D100 HydrophobicContact CG-CB 4.24Å; D100-S102 VanDerWaalsContact CG-OG 3.25Å; D100-S102 PolarHBondContact O-N 3.47Å; D100-S102 PolarHBondContact OD1-N 3.38Å; D100-S102 PolarHBondContact OD1-OG 2.92Å; D100-S102 WeakPolarHBondContact OD2-CB 3.44Å; D100-S102 PolarHBondContact OD2-N 3.1Å; D100-S102 PolarHBondContact OD2-OG 2.89Å; D100-T103 PolarHBondContact N-OG1 2.84Å; D100-T103 VanDerWaalsContact N-OG1 3.15Å; D100-T103 PolarHBondContact O-N 3.3Å; D100-T103 WeakPolarHBondContact OD1-CA 3.49Å; D100-T103 WeakPolarHBondContact OD1-CB 3.41Å; D100-T103 PolarHBondContact OD1-N 2.83Å; D100-T103 PolarHBondContact OD1-OG1 3.4Å; D100-K155 VanDerWaalsContact O-CE 3.24Å; D100-K155 WeakPolarHBondContact O-CE 3.38Å; D100-K155 PolarHBondContact O-NZ 2.78Å
101Q86Confident90Very high95 Ų9556.6 Ų56.644%0.44434%0.335SS..SBendtrans-65.1-30.8177.3-67-172-39.400112K155 S159Q101-K155 HydrophobicContact CG-CB 4.27Å; Q101-K155 PolarHBondContact NE2-O 2.79Å; Q101-K155 PolarHBondContact O-NZ 3.04Å; Q101-S159 VanDerWaalsContact NE2-CB 3.35Å
102S86.3Confident90.3Very high96 Ų9655.2 Ų55.267%0.67132%0.32SS*.SBendtrans-79.8-17.3179.781.10000114D100 P104D100-S102 VanDerWaalsContact CG-OG 3.25Å; D100-S102 PolarHBondContact O-N 3.47Å; D100-S102 PolarHBondContact OD1-N 3.38Å; D100-S102 PolarHBondContact OD1-OG 2.92Å; D100-S102 WeakPolarHBondContact OD2-CB 3.44Å; D100-S102 PolarHBondContact OD2-N 3.1Å; D100-S102 PolarHBondContact OD2-OG 2.89Å; S102-P104 WeakPolarHBondContact O-CD 3.24Å
103T87.2Confident90.5Very high22 Ų2250.6 Ų50.614%0.13530%0.296CS..SBendtrans-61.2120.1178.9-61.60000109.8I99 D100 I105 I115 K155I99-T103 HydrophobicContact CB-CG2 4.11Å; I99-T103 HydrophobicContact CG2-CG2 3.94Å; D100-T103 PolarHBondContact N-OG1 2.84Å; D100-T103 VanDerWaalsContact N-OG1 3.15Å; D100-T103 PolarHBondContact O-N 3.3Å; D100-T103 WeakPolarHBondContact OD1-CA 3.49Å; D100-T103 WeakPolarHBondContact OD1-CB 3.41Å; D100-T103 PolarHBondContact OD1-N 2.83Å; D100-T103 PolarHBondContact OD1-OG1 3.4Å; T103-I105 PolarHBondContact O-N 3.46Å; T103-I115 HydrophobicContact CG2-CG2 3.73Å; T103-K155 PolarHBondContact O-NZ 3.44Å; T103-K155 VanDerWaalsContact O-NZ 3.14Å
104P87.6Confident90.6Very high79 Ų7948.6 Ų48.651%0.51329%0.287SS..  trans-71.4125.5178.328.7-32.9000109.9S102S102-P104 WeakPolarHBondContact O-CD 3.24Å
105I90.7Very high90.7Very high35 Ų3548.1 Ų48.118%0.17928%0.284CS..EExtended strand (participates in β ladder)trans-114.2119.6172.6-58.8177.2000106.3I99 T103 L113 I115 L148 I151I99-I105 HydrophobicContact CD1-CD1 3.72Å; T103-I105 PolarHBondContact O-N 3.46Å; I105-L113 HydrophobicContact CG2-CD1 3.38Å; I105-L113 HydrophobicContact CG2-CD2 3.83Å; I105-L113 HydrophobicContact CG2-CG 3.64Å; I105-I115 HydrophobicContact CG1-CG1 4.44Å; I105-I115 HydrophobicContact CG1-CG2 4.45Å; I105-I115 HydrophobicContact CG2-CG1 4.35Å; I105-L148 HydrophobicContact CG2-CD1 3.99Å; I105-I151 HydrophobicContact CD1-CG2 3.43Å; I105-I151 VanDerWaalsContact CD1-CG2 3.43Å
106T91.1Very high90.6Very high75 Ų7551.6 Ų51.646%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-118.5136.2-17749.20000109.9S114T106-S114 PolarHBondContact N-O 2.85Å; T106-S114 PolarHBondContact O-N 2.84Å; T106-S114 PolarHBondContact O-OG 2.94Å; T106-S114 VanDerWaalsContact O-OG 3.13Å; T106-S114 PolarHBondContact OG1-O 2.79Å; T106-S114 PolarHBondContact OG1-OG 2.74Å
107K91.5Very high90.5Very high113 Ų11350.3 Ų50.349%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-71.8131171.4-65.4-171-177.5-173.50108.8L148K107-L148 HydrophobicContact CD-CD2 4.42Å
108A88.7Confident90.4Very high28 Ų2853.2 Ų53.223%0.23132%0.316CS..EExtended strand (participates in β ladder)trans-118.798.5-178.700000110.5G112 L135A108-G112 PolarHBondContact N-O 2.72Å; A108-G112 CarbonylContact O-C 3.49Å; A108-G112 WeakPolarHBondContact O-CA 3.44Å; A108-G112 PolarHBondContact O-N 3.32Å; A108-L135 HydrophobicContact CB-CD1 3.51Å
109G87.9Confident90.1Very high74 Ų7451.6 Ų51.676%0.76330%0.302SS*.THydrogen-bonded Turntrans76.6-145.2-177.500000112.7
110K88.1Confident89.9Confident182 Ų18255.4 Ų55.479%0.79132%0.323SS*.THydrogen-bonded Turntrans-86.2-38.1-174.4-52.5-179-151.9-77.10113.2L144K110-L144 WeakPolarHBondContact O-CD2 3.47Å
111N92.1Very high89.7Confident52 Ų5255 Ų5528%0.27832%0.323SS..THydrogen-bonded Turntrans-136.120-169.863.4-40.4000112.3R137 V138N111-R137 WeakPolarHBondContact O-CA 2.95Å; N111-V138 HydrophobicContact CB-CG2 4.31Å; N111-V138 PolarHBondContact ND2-O 3.34Å; N111-V138 WeakPolarHBondContact O-CG2 3.34Å; N111-V138 PolarHBondContact O-N 2.87Å
112G93.4Very high89.6Confident0 Ų054.4 Ų54.40%033%0.327CS..EExtended strand (participates in β ladder)trans-113.6146.2179.900000112.8A108 L136A108-G112 PolarHBondContact N-O 2.72Å; A108-G112 CarbonylContact O-C 3.49Å; A108-G112 WeakPolarHBondContact O-CA 3.44Å; A108-G112 PolarHBondContact O-N 3.32Å; G112-L136 CarbonylContact C-O 3.53Å; G112-L136 VanDerWaalsContact CA-O 3.3Å; G112-L136 WeakPolarHBondContact CA-O 3.4Å
113L94.3Very high89.1Confident0 Ų052.1 Ų52.10%031%0.307CS..EExtended strand (participates in β ladder)trans-122.9121.1172.8-164.172.6000108.3I105 I115 L135 L136 L144 L147 L148 I151I105-L113 HydrophobicContact CG2-CD1 3.38Å; I105-L113 HydrophobicContact CG2-CD2 3.83Å; I105-L113 HydrophobicContact CG2-CG 3.64Å; L113-I115 HydrophobicContact CD2-CD1 4.08Å; L113-I115 HydrophobicContact CD2-CG1 4.43Å; L113-I115 HydrophobicContact CG-CG1 4.41Å; L113-L135 CarbonylContact O-C 3.59Å; L113-L135 WeakPolarHBondContact O-CA 3.42Å; L113-L136 HydrophobicContact CB-CB 4.3Å; L113-L136 PolarHBondContact N-O 2.99Å; L113-L136 PolarHBondContact O-N 2.86Å; L113-L144 HydrophobicContact CB-CD1 3.9Å; L113-L144 HydrophobicContact CD1-CD1 4.27Å; L113-L147 HydrophobicContact CD2-CD2 4.28Å; L113-L148 HydrophobicContact CD1-CD1 4.24Å; L113-I151 HydrophobicContact CD2-CD1 3.81Å
114S93.1Very high88.3Confident14 Ų1456.1 Ų56.110%0.09832%0.322CS..EExtended strand (participates in β ladder)trans-103.4134.6174.545.40000111.4T106 A134T106-S114 PolarHBondContact N-O 2.85Å; T106-S114 PolarHBondContact O-N 2.84Å; T106-S114 PolarHBondContact O-OG 2.94Å; T106-S114 VanDerWaalsContact O-OG 3.13Å; T106-S114 PolarHBondContact OG1-O 2.79Å; T106-S114 PolarHBondContact OG1-OG 2.74Å; S114-A134 CarbonylContact C-O 3.58Å; S114-A134 WeakPolarHBondContact CA-O 2.94Å
115I93.4Very high87Confident2 Ų262.8 Ų62.81%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-137.1134.3179.8-43.3179.6000107.9L82 I99 T103 I105 L113 V117 A134 L136L82-I115 HydrophobicContact CD1-CD1 3.66Å; I99-I115 HydrophobicContact CG2-CG2 4.18Å; T103-I115 HydrophobicContact CG2-CG2 3.73Å; I105-I115 HydrophobicContact CG1-CG1 4.44Å; I105-I115 HydrophobicContact CG1-CG2 4.45Å; I105-I115 HydrophobicContact CG2-CG1 4.35Å; L113-I115 HydrophobicContact CD2-CD1 4.08Å; L113-I115 HydrophobicContact CD2-CG1 4.43Å; L113-I115 HydrophobicContact CG-CG1 4.41Å; I115-V117 HydrophobicContact CB-CG1 4.45Å; I115-V117 HydrophobicContact CG2-CG1 3.68Å; I115-A134 PolarHBondContact N-O 2.98Å; I115-A134 PolarHBondContact O-N 2.79Å; I115-L136 HydrophobicContact CD1-CD1 4.17Å
116V91.8Very high85.3Confident73 Ų7363.9 Ų63.944%0.44236%0.358SS..EExtended strand (participates in β ladder)trans-90.4111.7173.9-1730000108.2P131 V133V116-P131 HydrophobicContact CG1-CB 4.2Å; V116-V133 HydrophobicContact CG2-CG2 4.29Å
117V90.6Very high83.6Confident14 Ų1464.4 Ų64.49%0.08536%0.364CS..EExtended strand (participates in β ladder)trans-144.4156.3-176.9-68.20000111.1F95 V97 I99 I115 P119 T132 A134F95-V117 HydrophobicContact CE2-CG2 3.87Å; F95-V117 HydrophobicContact CZ-CG2 3.83Å; V97-V117 HydrophobicContact CB-CB 4.34Å; V97-V117 HydrophobicContact CB-CG1 4.4Å; V97-V117 HydrophobicContact CG1-CB 4.17Å; V97-V117 HydrophobicContact CG1-CG2 4.04Å; V97-V117 HydrophobicContact CG2-CB 4.42Å; V97-V117 HydrophobicContact CG2-CG1 4.13Å; V97-V117 HydrophobicContact CG2-CG2 4.35Å; I99-V117 HydrophobicContact CG2-CG1 3.98Å; I115-V117 HydrophobicContact CB-CG1 4.45Å; I115-V117 HydrophobicContact CG2-CG1 3.68Å; V117-P119 WeakPolarHBondContact O-CD 3.27Å; V117-T132 PolarHBondContact N-O 2.72Å; V117-T132 PolarHBondContact O-N 2.75Å; V117-A134 HydrophobicContact CG2-CB 3.98Å
118V89.1Confident82.1Confident68 Ų6860.3 Ų60.341%0.41235%0.354SS..  trans-77.4120166.8-178.60000107.6V97 G128V97-V118 WeakPolarHBondContact CG1-O 3.5Å; V118-G128 WeakPolarHBondContact CG1-O 3.35Å
119P85.8Confident81.2Confident9 Ų965.1 Ų65.16%0.05838%0.376CS..  trans-71.8131.4-176.129.2-34.5000111.6Y55 V117 P121 I123Y55-P119 HydrophobicContact CE1-CB 3.8Å; V117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-P121 CarbonylContact C-O 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.54Å; P119-I123 HydrophobicContact CB-CG1 3.43Å; P119-I123 VanDerWaalsContact CB-CG1 3.43Å; P119-I123 HydrophobicContact CG-CD1 3.56Å; P119-I123 HydrophobicContact CG-CG1 3.66Å
120N89.2Confident80.9Confident81 Ų8168 Ų6843%0.43337%0.37SS..SBendtrans-138.9116.6175.3174.529.8000108.6F95 N96F95-N120 CarbonylContact C-O 3.55Å; N96-N120 WeakPolarHBondContact CA-O 3.32Å; N96-N120 WeakPolarHBondContact CB-O 3.27Å; N96-N120 PolarHBondContact N-O 2.95Å; N96-N120 WeakPolarHBondContact O-CB 3.19Å; N96-N120 PolarHBondContact O-ND2 3.03Å
121P86.7Confident80.8Confident43 Ų4363.4 Ų63.428%0.27936%0.358SS..SBendcis-65160.11.2-20.233.7000114.2P119P119-P121 CarbonylContact C-O 3.52Å
122P83.9Confident80.7Confident82 Ų8262.2 Ų62.253%0.53235%0.353SS..  trans-68.2136.518027.3-33.8000111.9
123I75.7Confident80.6Confident48 Ų4864.1 Ų64.125%0.24636%0.364CS..  trans-86-27.1-170.9-28.5159.6000112Y55 F65 P119 T132Y55-I123 HydrophobicContact CD1-CD1 3.34Å; Y55-I123 HydrophobicContact CD1-CG1 4.38Å; Y55-I123 HydrophobicContact CD2-CD1 3.47Å; Y55-I123 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I123 HydrophobicContact CD2-CG1 3.95Å; Y55-I123 HydrophobicContact CD2-CG2 3.75Å; Y55-I123 HydrophobicContact CE1-CD1 3.6Å; Y55-I123 HydrophobicContact CE1-CG1 4.24Å; Y55-I123 HydrophobicContact CE2-CD1 3.72Å; Y55-I123 HydrophobicContact CE2-CG1 3.79Å; Y55-I123 HydrophobicContact CE2-CG2 4Å; Y55-I123 HydrophobicContact CG-CD1 3.23Å; Y55-I123 HydrophobicContact CG-CG1 4.21Å; Y55-I123 HydrophobicContact CG-CG2 4.45Å; F65-I123 HydrophobicContact CD2-CG2 3.27Å; F65-I123 HydrophobicContact CE2-CB 4.21Å; F65-I123 HydrophobicContact CE2-CG2 3.28Å; F65-I123 HydrophobicContact CG-CG2 4.33Å; F65-I123 HydrophobicContact CZ-CG2 4.34Å; P119-I123 HydrophobicContact CB-CD1 3.54Å; P119-I123 HydrophobicContact CB-CG1 3.43Å; P119-I123 VanDerWaalsContact CB-CG1 3.43Å; P119-I123 HydrophobicContact CG-CD1 3.56Å; P119-I123 HydrophobicContact CG-CG1 3.66Å; I123-T132 HydrophobicContact CD1-CG2 4.31Å
124K70Confident80.5Confident106 Ų10664.1 Ų64.146%0.46136%0.364SS..SBendtrans-144.5169.5-169.4-71.3-167.8171.6-164.50112.1D57 A126D57-K124 WeakPolarHBondContact OD1-CE 3.29Å; D57-K124 IonicContact OD1-NZ 2.67Å; D57-K124 PolarHBondContact OD1-NZ 3.13Å; D57-K124 IonicContact OD2-NZ 3.21Å; D57-K124 PolarHBondContact OD2-NZ 3.33Å; K124-A126 PolarHBondContact O-N 2.94Å
125K60.3Low80.6Confident220 Ų22063.7 Ų63.796%0.95736%0.361SS*.SBendtrans-65.7-17.7172.7-62.9-174.7-179.1-177.80113.8S127K125-S127 PolarHBondContact O-N 2.84Å
126A54.7Low80.7Confident58 Ų5863.6 Ų63.648%0.47936%0.36SS..SBendtrans-69.2118.6171.800000106.9K124 G128K124-A126 PolarHBondContact O-N 2.94Å; A126-G128 PolarHBondContact O-N 3.05Å
127S54.5Low80.8Confident85 Ų8565.6 Ų65.659%0.59436%0.36SS*.  trans-35.5125.2-174-50.50000110.8K125 D129 Q130K125-S127 PolarHBondContact O-N 2.84Å; S127-D129 PolarHBondContact O-N 3.41Å; S127-Q130 PolarHBondContact O-N 2.92Å
128G61.5Low81Confident27 Ų2765.1 Ų65.128%0.27836%0.357SS..THydrogen-bonded Turntrans-62.823-173.900000115.6V118 A126V118-G128 WeakPolarHBondContact CG1-O 3.35Å; A126-G128 PolarHBondContact O-N 3.05Å
129D68.8Low81.2Confident129 Ų12970.7 Ų70.769%0.6938%0.376SS*.THydrogen-bonded Turntrans-104.7-9.6-175.3-54.2-54.1000112.2S127S127-D129 PolarHBondContact O-N 3.41Å
130Q82.3Confident81.6Confident136 Ų13672.8 Ų72.864%0.63639%0.389SS*.SBendtrans-86.9131.2-178.4-60.1-66.717.600112.2S127 T132S127-Q130 PolarHBondContact O-N 2.92Å; Q130-T132 PolarHBondContact O-N 3.08Å; Q130-T132 PolarHBondContact O-OG1 2.81Å
131P86.4Confident81.8Confident84 Ų8473.8 Ų73.855%0.54539%0.394SS..  trans-64.7123.7175.627-33000109.8V116V116-P131 HydrophobicContact CG1-CB 4.2Å
132T88.8Confident82.2Confident28 Ų2875.6 Ų75.617%0.17240%0.404CS..EExtended strand (participates in β ladder)trans-118.4149.1-177.6-57.80000109.9Y55 M56 V117 I123 Q130 A134Y55-T132 HydrophobicContact CD1-CG2 4.16Å; M56-T132 WeakPolarHBondContact O-CG2 3.45Å; V117-T132 PolarHBondContact N-O 2.72Å; V117-T132 PolarHBondContact O-N 2.75Å; I123-T132 HydrophobicContact CD1-CG2 4.31Å; Q130-T132 PolarHBondContact O-N 3.08Å; Q130-T132 PolarHBondContact O-OG1 2.81Å; T132-A134 PolarHBondContact O-N 2.66Å
133V91.4Very high82.6Confident39 Ų3974.5 Ų74.524%0.23639%0.392CS..EExtended strand (participates in β ladder)trans-81.6113173.5-171.40000108.9Y55 M56 V116Y55-V133 WeakPolarHBondContact CA-O 3.28Å; M56-V133 HydrophobicContact CB-CB 3.81Å; M56-V133 HydrophobicContact CB-CG2 4.44Å; M56-V133 PolarHBondContact N-O 2.77Å; M56-V133 HydrophobicContact SD-CB 4.09Å; M56-V133 HydrophobicContact SD-CG2 3.98Å; V116-V133 HydrophobicContact CG2-CG2 4.29Å
134A93.2Very high83.5Confident0 Ų072.4 Ų72.40%038%0.381CS..EExtended strand (participates in β ladder)trans-91.5131.9169.700000109.5L53 Y54 Y55 F95 S114 I115 V117 T132L53-A134 HydrophobicContact CD1-CB 4.21Å; Y54-A134 CarbonylContact O-C 3.54Å; Y54-A134 WeakPolarHBondContact O-CA 3.34Å; Y55-A134 HydrophobicContact CD1-CB 3.87Å; Y55-A134 HydrophobicContact CE1-CB 3.76Å; F95-A134 HydrophobicContact CE2-CB 3.87Å; F95-A134 HydrophobicContact CZ-CB 4.09Å; S114-A134 CarbonylContact C-O 3.58Å; S114-A134 WeakPolarHBondContact CA-O 2.94Å; I115-A134 PolarHBondContact N-O 2.98Å; I115-A134 PolarHBondContact O-N 2.79Å; V117-A134 HydrophobicContact CG2-CB 3.98Å; T132-A134 PolarHBondContact O-N 2.66Å
135L93.9Very high84.6Confident5 Ų570.2 Ų70.23%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-117115.6176.5172.169.8000109.2Y54 Y62 A108 L113 R137Y54-L135 PolarHBondContact N-O 3.33Å; Y54-L135 PolarHBondContact O-N 3.16Å; Y62-L135 HydrophobicContact CD1-CB 3.97Å; Y62-L135 HydrophobicContact CD1-CD2 3.85Å; Y62-L135 HydrophobicContact CE1-CB 3.66Å; Y62-L135 HydrophobicContact CE1-CD2 3.78Å; Y62-L135 HydrophobicContact CE1-CG 4.31Å; Y62-L135 HydrophobicContact CE2-CD2 4.46Å; Y62-L135 HydrophobicContact CG-CD2 4.23Å; A108-L135 HydrophobicContact CB-CD1 3.51Å; L113-L135 CarbonylContact O-C 3.59Å; L113-L135 WeakPolarHBondContact O-CA 3.42Å; L135-R137 HydrophobicContact CG-CG 4.4Å
136L95.3Very high86.1Confident1 Ų164.2 Ų64.21%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-98.8117.1177.1-57173.9000108.7L53 L70 I84 G112 L113 I115L53-L136 HydrophobicContact CB-CD2 4.37Å; L53-L136 HydrophobicContact CD1-CD2 3.52Å; L53-L136 HydrophobicContact CG-CD2 4.5Å; L70-L136 HydrophobicContact CD2-CD1 4.17Å; I84-L136 HydrophobicContact CD1-CD2 3.38Å; G112-L136 CarbonylContact C-O 3.53Å; G112-L136 VanDerWaalsContact CA-O 3.3Å; G112-L136 WeakPolarHBondContact CA-O 3.4Å; L113-L136 HydrophobicContact CB-CB 4.3Å; L113-L136 PolarHBondContact N-O 2.99Å; L113-L136 PolarHBondContact O-N 2.86Å; I115-L136 HydrophobicContact CD1-CD1 4.17Å
137R94.7Very high88Confident114 Ų11461.5 Ų61.543%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-104.9125.4172.8-71.9-167175.3177.40.4110.9C51 K52 Y54 N111 L135C51-R137 CarbonylContact C-O 3.49Å; C51-R137 VanDerWaalsContact CA-O 3.29Å; C51-R137 WeakPolarHBondContact CA-O 3.41Å; K52-R137 PolarHBondContact N-O 3.23Å; K52-R137 PolarHBondContact O-N 3.25Å; Y54-R137 HydrophobicContact CD2-CG 4.31Å; Y54-R137 HydrophobicContact CE2-CB 4.12Å; Y54-R137 HydrophobicContact CE2-CG 3.96Å; N111-R137 WeakPolarHBondContact O-CA 2.95Å; L135-R137 HydrophobicContact CG-CG 4.4Å
138V95.4Very high89.8Confident5 Ų558.6 Ų58.63%0.0331%0.307CS..EExtended strand (participates in β ladder)trans-97.5168.5172.7-65.70000110.5V49 C51 N111 T140 Q143 L144 L147V49-V138 HydrophobicContact CG1-CG1 4.39Å; V49-V138 HydrophobicContact CG2-CG1 4.11Å; C51-V138 HydrophobicContact CB-CG1 4.2Å; N111-V138 HydrophobicContact CB-CG2 4.31Å; N111-V138 PolarHBondContact ND2-O 3.34Å; N111-V138 WeakPolarHBondContact O-CG2 3.34Å; N111-V138 PolarHBondContact O-N 2.87Å; V138-T140 VanDerWaalsContact CG2-O 3.26Å; V138-T140 WeakPolarHBondContact CG2-O 3.37Å; V138-Q143 HydrophobicContact CB-CB 4.29Å; V138-Q143 HydrophobicContact CG2-CB 4.31Å; V138-L144 HydrophobicContact CG2-CB 3.57Å; V138-L144 HydrophobicContact CG2-CD1 4.12Å; V138-L144 HydrophobicContact CG2-CG 4.43Å; V138-L147 HydrophobicContact CG1-CD2 4.14Å
139K93.5Very high91.3Very high185 Ų18561.4 Ų61.480%0.80432%0.316SS*.SBendtrans-73.5-43.5-174.9-172178.8179.1-177.40112.2
140T94.5Very high92.5Very high53 Ų5358.4 Ų58.433%0.32530%0.296SS..SBendtrans-121.1156-177.166.70000111.5V138 V142 Q143 L144V138-T140 VanDerWaalsContact CG2-O 3.26Å; V138-T140 WeakPolarHBondContact CG2-O 3.37Å; T140-V142 VanDerWaalsContact C-N 3.32Å; T140-Q143 PolarHBondContact O-N 2.86Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.35Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-N 2.96Å; T140-L144 PolarHBondContact O-N 2.65Å
141D92.9Very high93Very high101 Ų10152 Ų5254%0.5427%0.266SS..Hα-helixtrans-68.8-29.8174.356.3-70.9000112.7L144 T145D141-L144 WeakPolarHBondContact O-CB 3.33Å; D141-L144 PolarHBondContact O-N 3.45Å; D141-T145 PolarHBondContact O-N 2.85Å; D141-T145 PolarHBondContact O-OG1 2.79Å
142V93.9Very high93.3Very high81 Ų8152.3 Ų52.349%0.49126%0.261SS..Hα-helixtrans-61-49.4172.1-177.90000110.2T140 L144 T145 E146T140-V142 VanDerWaalsContact C-N 3.32Å; V142-L144 VanDerWaalsContact C-N 3.25Å; V142-L144 PolarHBondContact O-N 2.81Å; V142-T145 PolarHBondContact O-N 2.9Å; V142-T145 VanDerWaalsContact O-N 3.1Å; V142-E146 WeakPolarHBondContact O-CG 3.42Å; V142-E146 PolarHBondContact O-N 2.87Å
143Q93.4Very high93.5Very high60 Ų6055.4 Ų55.428%0.2827%0.273SS..Hα-helixtrans-60.9-33.8175.7-76.1176.5-24.100112.5V49 V138 T140 T145 L147V49-Q143 HydrophobicContact CG2-CB 4.31Å; V49-Q143 HydrophobicContact CG2-CG 4.45Å; V138-Q143 HydrophobicContact CB-CB 4.29Å; V138-Q143 HydrophobicContact CG2-CB 4.31Å; T140-Q143 PolarHBondContact O-N 2.86Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.35Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-N 2.96Å; Q143-T145 VanDerWaalsContact C-N 3.33Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.32Å
144L93.2Very high93.5Very high4 Ų453.5 Ų53.52%0.02126%0.262CS..Hα-helixtrans-66.4-40.8177.2-179.167.6000110.9K110 L113 V138 T140 D141 V142 L148K110-L144 WeakPolarHBondContact O-CD2 3.47Å; L113-L144 HydrophobicContact CB-CD1 3.9Å; L113-L144 HydrophobicContact CD1-CD1 4.27Å; V138-L144 HydrophobicContact CG2-CB 3.57Å; V138-L144 HydrophobicContact CG2-CD1 4.12Å; V138-L144 HydrophobicContact CG2-CG 4.43Å; T140-L144 PolarHBondContact O-N 2.65Å; D141-L144 WeakPolarHBondContact O-CB 3.33Å; D141-L144 PolarHBondContact O-N 3.45Å; V142-L144 VanDerWaalsContact C-N 3.25Å; V142-L144 PolarHBondContact O-N 2.81Å; L144-L148 PolarHBondContact O-N 3.46Å
145T93.2Very high93.4Very high59 Ų5955 Ų5536%0.36227%0.268SS..Hα-helixtrans-69.3-48-179.3-56.30000110.2D141 V142 Q143 L147 L148 D149D141-T145 PolarHBondContact O-N 2.85Å; D141-T145 PolarHBondContact O-OG1 2.79Å; V142-T145 PolarHBondContact O-N 2.9Å; V142-T145 VanDerWaalsContact O-N 3.1Å; Q143-T145 VanDerWaalsContact C-N 3.33Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 2.99Å; T145-L148 PolarHBondContact O-N 2.95Å; T145-L148 VanDerWaalsContact O-N 3.12Å; T145-D149 VanDerWaalsContact O-CG 3.3Å; T145-D149 PolarHBondContact O-N 3.15Å
146E93.7Very high93.3Very high95 Ų9561.6 Ų61.644%0.44430%0.297SS..Hα-helixtrans-56.9-44173.6-70.6175-178.800112V142 L148 D149 K150V142-E146 WeakPolarHBondContact O-CG 3.42Å; V142-E146 PolarHBondContact O-N 2.87Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.26Å; E146-D149 PolarHBondContact O-N 3.44Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.39Å
147L93.1Very high93.1Very high0 Ų065.2 Ų65.20%031%0.313CS..Hα-helixtrans-61.6-42.2177.1177.262.5000111.7V49 L70 V72 L113 V138 Q143 T145 K150 I151V49-L147 HydrophobicContact CG1-CD1 3.95Å; V49-L147 HydrophobicContact CG1-CD2 4.08Å; V49-L147 HydrophobicContact CG1-CG 4.45Å; L70-L147 HydrophobicContact CD2-CD1 3.73Å; L70-L147 HydrophobicContact CD2-CD2 3.74Å; L70-L147 HydrophobicContact CD2-CG 4.37Å; V72-L147 HydrophobicContact CG2-CD1 3.78Å; L113-L147 HydrophobicContact CD2-CD2 4.28Å; V138-L147 HydrophobicContact CG1-CD2 4.14Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 2.99Å; L147-K150 PolarHBondContact O-N 2.91Å; L147-I151 HydrophobicContact CD1-CD1 4Å; L147-I151 HydrophobicContact CD1-CG1 4.26Å; L147-I151 HydrophobicContact CG-CD1 3.91Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.43Å; L147-I151 PolarHBondContact O-N 2.84Å
148L92.7Very high92.9Very high25 Ų2559.8 Ų59.813%0.13129%0.293CS..Hα-helixtrans-63.7-47.2177.6-17668.9000111I105 K107 L113 L144 T145 E146 K150 I151 E152I105-L148 HydrophobicContact CG2-CD1 3.99Å; K107-L148 HydrophobicContact CD-CD2 4.42Å; L113-L148 HydrophobicContact CD1-CD1 4.24Å; L144-L148 PolarHBondContact O-N 3.46Å; T145-L148 PolarHBondContact O-N 2.95Å; T145-L148 VanDerWaalsContact O-N 3.12Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.26Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 2.76Å; L148-I151 VanDerWaalsContact O-N 3.15Å; L148-E152 PolarHBondContact O-N 3.06Å
149D93.8Very high92.5Very high86 Ų8660.9 Ų60.946%0.4630%0.301SS..Hα-helixtrans-60-42.1179.1-64.8-25.8000110.8T145 E146 E152 E153T145-D149 VanDerWaalsContact O-CG 3.3Å; T145-D149 PolarHBondContact O-N 3.15Å; E146-D149 PolarHBondContact O-N 3.44Å; D149-E152 PolarHBondContact O-N 2.89Å; D149-E153 WeakPolarHBondContact O-CB 3.21Å; D149-E153 PolarHBondContact O-N 2.86Å
150K93.1Very high92.3Very high65 Ų6555.5 Ų55.528%0.28329%0.286SS..Hα-helixtrans-65.6-37.4176-71.8-73163.6-162.10112.8I46 H47 E146 L147 L148 E153 A154I46-K150 HydrophobicContact CD1-CB 4.28Å; I46-K150 HydrophobicContact CD1-CD 4.26Å; I46-K150 VanDerWaalsContact CD1-O 3.29Å; I46-K150 WeakPolarHBondContact CD1-O 3.29Å; H47-K150 HydrophobicContact CB-CB 4.01Å; H47-K150 HydrophobicContact CB-CD 4.1Å; H47-K150 HydrophobicContact CB-CG 3.91Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.39Å; L147-K150 PolarHBondContact O-N 2.91Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; K150-E153 WeakPolarHBondContact CD-OE2 3.42Å; K150-E153 IonicContact NZ-OE1 3.31Å; K150-E153 IonicContact NZ-OE2 3.95Å; K150-E153 PolarHBondContact NZ-OE2 3.44Å; K150-E153 PolarHBondContact O-N 2.88Å; K150-A154 WeakPolarHBondContact O-CB 3.17Å; K150-A154 PolarHBondContact O-N 2.9Å
151I93.2Very high91.9Very high1 Ų155.4 Ų55.41%0.00528%0.283CS..Hα-helixtrans-67.2-39174.6-67.9163.7000110.8V72 L82 I99 I105 L113 L147 L148 A154 K155V72-I151 HydrophobicContact CG1-CG1 4.29Å; V72-I151 HydrophobicContact CG2-CG1 4.24Å; L82-I151 HydrophobicContact CD2-CG1 4.36Å; I99-I151 HydrophobicContact CD1-CG2 3.73Å; I105-I151 HydrophobicContact CD1-CG2 3.43Å; I105-I151 VanDerWaalsContact CD1-CG2 3.43Å; L113-I151 HydrophobicContact CD2-CD1 3.81Å; L147-I151 HydrophobicContact CD1-CD1 4Å; L147-I151 HydrophobicContact CD1-CG1 4.26Å; L147-I151 HydrophobicContact CG-CD1 3.91Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.43Å; L147-I151 PolarHBondContact O-N 2.84Å; L148-I151 PolarHBondContact O-N 2.76Å; L148-I151 VanDerWaalsContact O-N 3.15Å; I151-A154 PolarHBondContact O-N 3.13Å; I151-K155 HydrophobicContact CG2-CD 4.5Å; I151-K155 WeakPolarHBondContact O-CB 3.17Å; I151-K155 VanDerWaalsContact O-CG 3.31Å; I151-K155 WeakPolarHBondContact O-CG 3.17Å; I151-K155 PolarHBondContact O-N 3.29Å
152E92.1Very high91.7Very high92 Ų9254.2 Ų54.243%0.4327%0.271SS..Hα-helixtrans-66.1-40.8175-70.3-173.8-174.900112.4L148 D149 K155 K156L148-E152 PolarHBondContact O-N 3.06Å; D149-E152 PolarHBondContact O-N 2.89Å; E152-K155 WeakPolarHBondContact O-CB 3.19Å; E152-K155 PolarHBondContact O-N 2.81Å; E152-K156 WeakPolarHBondContact O-CG 3.17Å; E152-K156 PolarHBondContact O-N 2.78Å; E152-K156 VanDerWaalsContact O-N 3.1Å
153E93Very high91.4Very high92 Ų9255 Ų5543%0.4327%0.272SS..Hα-helixtrans-59.3-50.3171.8-172.4179.1-177.100110.6D149 K150 K155 K156 E157D149-E153 WeakPolarHBondContact O-CB 3.21Å; D149-E153 PolarHBondContact O-N 2.86Å; K150-E153 WeakPolarHBondContact CD-OE2 3.42Å; K150-E153 IonicContact NZ-OE1 3.31Å; K150-E153 IonicContact NZ-OE2 3.95Å; K150-E153 PolarHBondContact NZ-OE2 3.44Å; K150-E153 PolarHBondContact O-N 2.88Å; E153-K155 VanDerWaalsContact C-N 3.28Å; E153-K155 PolarHBondContact O-N 2.79Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.35Å; E153-E157 WeakPolarHBondContact O-CB 3.22Å; E153-E157 PolarHBondContact O-N 3.04Å
154A91.9Very high91Very high0 Ų057.6 Ų57.60%029%0.288CS..Hα-helixtrans-59.2-37.9176.100000112.4I46 V72 P74 V80 K150 I151 K156 E157 A158I46-A154 HydrophobicContact CD1-CB 3.65Å; I46-A154 HydrophobicContact CG1-CB 4.49Å; V72-A154 HydrophobicContact CG1-CB 3.86Å; P74-A154 HydrophobicContact CB-CB 4.4Å; V80-A154 HydrophobicContact CB-CB 4.24Å; V80-A154 HydrophobicContact CG1-CB 3.62Å; V80-A154 HydrophobicContact CG2-CB 3.55Å; V80-A154 WeakPolarHBondContact CG2-O 3.05Å; K150-A154 WeakPolarHBondContact O-CB 3.17Å; K150-A154 PolarHBondContact O-N 2.9Å; I151-A154 PolarHBondContact O-N 3.13Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.87Å; A154-E157 PolarHBondContact O-N 2.68Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 3.44Å
155K91.3Very high90.5Very high31 Ų3160.8 Ų60.814%0.13532%0.315CS..Hα-helixtrans-63.9-36.9176.5-82.5-179.1174.8-163.50111.5V80 D100 Q101 T103 I151 E152 E153 S159V80-K155 HydrophobicContact CG2-CB 4.38Å; V80-K155 HydrophobicContact CG2-CG 3.89Å; D100-K155 VanDerWaalsContact O-CE 3.24Å; D100-K155 WeakPolarHBondContact O-CE 3.38Å; D100-K155 PolarHBondContact O-NZ 2.78Å; Q101-K155 HydrophobicContact CG-CB 4.27Å; Q101-K155 PolarHBondContact NE2-O 2.79Å; Q101-K155 PolarHBondContact O-NZ 3.04Å; T103-K155 PolarHBondContact O-NZ 3.44Å; T103-K155 VanDerWaalsContact O-NZ 3.14Å; I151-K155 HydrophobicContact CG2-CD 4.5Å; I151-K155 WeakPolarHBondContact O-CB 3.17Å; I151-K155 VanDerWaalsContact O-CG 3.31Å; I151-K155 WeakPolarHBondContact O-CG 3.17Å; I151-K155 PolarHBondContact O-N 3.29Å; E152-K155 WeakPolarHBondContact O-CB 3.19Å; E152-K155 PolarHBondContact O-N 2.81Å; E153-K155 VanDerWaalsContact C-N 3.28Å; E153-K155 PolarHBondContact O-N 2.79Å; K155-S159 PolarHBondContact O-N 3.12Å
156K91.7Very high89.8Confident144 Ų14466 Ų6663%0.62633%0.332SS*.Hα-helixtrans-72.5-47.9175.7-68.5167.9-174.9169.10110.8E152 E153 A154 S159 C160E152-K156 WeakPolarHBondContact O-CG 3.17Å; E152-K156 PolarHBondContact O-N 2.78Å; E152-K156 VanDerWaalsContact O-N 3.1Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.35Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.87Å; K156-S159 WeakPolarHBondContact O-CB 3.37Å; K156-S159 PolarHBondContact O-N 2.91Å; K156-C160 PolarHBondContact O-N 2.97Å
157E90.4Very high88.6Confident76 Ų7669 Ų6936%0.35536%0.364SS..Hα-helixtrans-59.6-48.2178.7-172.5-178167.200111.5P74 E153 A154 S159 C160 L161P74-E157 HydrophobicContact CB-CB 4.43Å; P74-E157 HydrophobicContact CB-CG 4.4Å; P74-E157 HydrophobicContact CG-CG 4.44Å; E153-E157 WeakPolarHBondContact O-CB 3.22Å; E153-E157 PolarHBondContact O-N 3.04Å; A154-E157 PolarHBondContact O-N 2.68Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.37Å; E157-C160 WeakPolarHBondContact O-CA 3.36Å; E157-C160 WeakPolarHBondContact O-CB 3.29Å; E157-C160 PolarHBondContact O-N 2.81Å; E157-L161 HydrophobicContact CG-CD1 4.19Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.87Å
158A90Very high88.4Confident0 Ų072.4 Ų72.40%038%0.382CS..Hα-helixtrans-58.5-42.2177.600000111.3P74 G78 R79 V80 A154 C160 L161 R162P74-A158 HydrophobicContact CB-CB 4.16Å; G78-A158 VanDerWaalsContact CA-C 3.5Å; G78-A158 WeakPolarHBondContact CA-O 3.12Å; R79-A158 WeakPolarHBondContact O-CB 3.46Å; V80-A158 HydrophobicContact CG2-CB 4.31Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 3.44Å; A158-C160 VanDerWaalsContact C-N 3.33Å; A158-C160 PolarHBondContact O-N 2.96Å; A158-L161 PolarHBondContact O-N 3.43Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å
159S88.2Confident88.1Confident29 Ų2974.9 Ų74.920%0.20340%0.395CS..Hα-helixtrans-62.5-40.7175.7-172.50000112.1Q101 K155 K156 E157 R162 N163Q101-S159 VanDerWaalsContact NE2-CB 3.35Å; K155-S159 PolarHBondContact O-N 3.12Å; K156-S159 WeakPolarHBondContact O-CB 3.37Å; K156-S159 PolarHBondContact O-N 2.91Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.37Å; S159-R162 PolarHBondContact O-N 2.88Å; S159-N163 PolarHBondContact O-N 3.25Å; S159-N163 PolarHBondContact O-ND2 3.33Å; S159-N163 VanDerWaalsContact O-ND2 3.08Å
160C88.8Confident87.8Confident71 Ų7174.3 Ų74.348%0.4839%0.391SS..Hα-helixtrans-62-48.9174.3-1680000111.7K156 E157 A158 R162 N163 L164K156-C160 PolarHBondContact O-N 2.97Å; E157-C160 WeakPolarHBondContact O-CA 3.36Å; E157-C160 WeakPolarHBondContact O-CB 3.29Å; E157-C160 PolarHBondContact O-N 2.81Å; A158-C160 VanDerWaalsContact C-N 3.33Å; A158-C160 PolarHBondContact O-N 2.96Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 2.79Å; C160-N163 PolarHBondContact O-N 3.29Å; C160-L164 PolarHBondContact O-N 2.94Å; C160-L164 VanDerWaalsContact O-N 3.12Å
161L87Confident87.5Confident51 Ų5174.8 Ų74.827%0.26740%0.398SS..Hα-helixtrans-59.6-38.3178.1-68.4173.3000112.4P74 E157 A158 N163 L164 A165P74-L161 HydrophobicContact CB-CD1 4.47Å; E157-L161 HydrophobicContact CG-CD1 4.19Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.87Å; A158-L161 PolarHBondContact O-N 3.43Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.23Å; L161-L164 PolarHBondContact O-N 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.26Å; L161-A165 PolarHBondContact O-N 2.66Å
162R87.1Confident87.2Confident76 Ų7679.4 Ų79.429%0.28742%0.422SS..Hα-helixtrans-60.9-38.8175.1-178-164.7-74.4161.10.6112.2T76 S77 G78 A158 S159 C160 K166T76-R162 WeakPolarHBondContact O-CA 3.22Å; S77-R162 VanDerWaalsContact O-CZ 3.23Å; S77-R162 PolarHBondContact O-NE 3.04Å; S77-R162 PolarHBondContact O-NH2 3.06Å; G78-R162 VanDerWaalsContact CA-NH2 3.28Å; G78-R162 PolarHBondContact O-NH2 3.1Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å; S159-R162 PolarHBondContact O-N 2.88Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 2.79Å; R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.94Å
163N87.6Confident86.8Confident97 Ų9778.6 Ų78.652%0.51942%0.422SS..Hα-helixtrans-72.2-38.6180-64.2-36.5000111.4S159 C160 L161 K166S159-N163 PolarHBondContact O-N 3.25Å; S159-N163 PolarHBondContact O-ND2 3.33Å; S159-N163 VanDerWaalsContact O-ND2 3.08Å; C160-N163 PolarHBondContact O-N 3.29Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.23Å; N163-K166 PolarHBondContact O-N 3.24Å
164L86.8Confident86.4Confident116 Ų11677.6 Ų77.661%0.60742%0.421SS*.Hα-helixtrans-65.1-40.4175.7-68.7170.1000112.4C160 L161 K166 S167C160-L164 PolarHBondContact O-N 2.94Å; C160-L164 VanDerWaalsContact O-N 3.12Å; L161-L164 PolarHBondContact O-N 3.31Å; L164-K166 PolarHBondContact O-N 3.46Å; L164-S167 PolarHBondContact O-N 3.38Å
165A81.1Confident86Confident71 Ų7183.6 Ų83.659%0.58745%0.454SS*.THydrogen-bonded Turntrans-72.7-11.6-179.600000114.5L161L161-A165 WeakPolarHBondContact O-CB 3.26Å; L161-A165 PolarHBondContact O-N 2.66Å
166K78.7Confident85.5Confident167 Ų16788 Ų8873%0.72648%0.48SS*.THydrogen-bonded Turntrans-93.8-13.2175.7-74.2179.6178.4-173.90113.3R162 N163 L164R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.94Å; N163-K166 PolarHBondContact O-N 3.24Å; L164-K166 PolarHBondContact O-N 3.46Å
167S68.8Low85Confident158 Ų15882.9 Ų82.9100%1.10547%0.467SS*.  trans-87.20176.2-173.60000111.1L164L164-S167 PolarHBondContact O-N 3.38Å

Retrieved 167 of 167 residues in 45.8 ms (Link to these results)