A0A060X4P6_ONCMY Loading...

Protein kinase, interferon-inducible double stranded RNA dependent activator

AlphaFold DB (A0A4W5P3E4), UniProt , Accession A0A060X4P6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 308 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
1M36.5Very low30.3Very low231 Ų231149.5 Ų149.5100%1.13881%0.809SS**  079.10-56.5174.884.500105.9
2S30.3Very low29.7Very low108 Ų108155.3 Ų155.376%0.75581%0.81SS**  cis80.7144.331.3-45.80000114.3
3Q30.2Very low29.3Very low181 Ų181152.5 Ų152.585%0.84681%0.805SS**  trans86.2116178.2-54-178.96.700113.7
4D28.1Very low29Very low161 Ų161148.9 Ų148.986%0.86179%0.792SS**  cis76137.330.8-58-70.2000116.2
5G29.6Very low29.1Very low65 Ų65149.5 Ų149.567%0.6779%0.788SS**  trans14993.9169.100000112.1
6F27.7Very low28.9Very low201 Ų201147.5 Ų147.588%0.88278%0.778SS**  62.1136.486.4-87.3-87.8000113.9
7Q30.7Very low28.8Very low168 Ų168145.6 Ų145.679%0.78577%0.768SS**  cis-169.4-163.648-120.5-158.21.900108.8
8P39.5Very low28.6Very low87 Ų87145.4 Ų145.457%0.56577%0.768SS**  -142172.1-67.341.6-21.6000118.8
9T25.4Very low28.6Very low113 Ų113144.7 Ų144.769%0.69377%0.77SS**  trans61.7121.9139.751.40000126.8
10L26.3Very low28.4Very low157 Ų157142.3 Ų142.382%0.82277%0.765SS**  60135.6125.4-56170.9000120.7
11I28.5Very low28.3Very low172 Ų172144.1 Ų144.188%0.88277%0.771SS**  -160.4167.581.6-86.7163000112.4
12R23.1Very low27.8Very low219 Ų219138 Ų13883%0.82675%0.751SS**  trans-120.5135.8-167.4160.3-156.3-175.2-175.94.4113.2
13T25.3Very low27.8Very low120 Ų120140.1 Ų140.174%0.73675%0.752SS**  trans-174.1118.6145.718.40000111.2
14T25.1Very low27.6Very low101 Ų101139.7 Ų139.762%0.6275%0.75SS**  51.5130.9103.7650000115.2
15H30Very low27.7Very low159 Ų159140 Ų14074%0.73675%0.747SS**  cis-175.5170.230.9-110.3-33000108.4
16N26.8Very low27.5Very low117 Ų117143.2 Ų143.263%0.62675%0.753SS**  cis-164.5174.1-12.2-139.920.1000112.2
17N26.3Very low27.5Very low116 Ų116142.4 Ų142.462%0.6275%0.752SS**  trans70.3117.8149.2-71.7-5.1000124.6
18N25.4Very low27.4Very low142 Ų142138.5 Ų138.576%0.75975%0.749SS**  trans66.3140.6134.1-54.8-9.3000119.1
19T28.2Very low27Very low132 Ų132140.3 Ų140.381%0.8176%0.76SS**  cis-149.7159.831.1-42.60000112.4
20S25.7Very low27.4Very low95 Ų95140.8 Ų140.866%0.66477%0.767SS**  trans-47.9148.8-178.655.80000118.4
21M26.3Very low28.3Very low181 Ų181139.3 Ų139.389%0.89277%0.767SS**  -145.4143.5120.7-96.1-56.7165.200110.1
22S25.2Very low29.5Very low104 Ų104134.5 Ų134.573%0.72776%0.759SS**  trans-69.4133.6-167.4-66.90000114.2Q24S22-Q24 PolarHBondContact O-N 2.99Å
23I29.7Very low31.5Very low152 Ų152130.3 Ų130.378%0.77975%0.747SS**  trans-73.1101.5152.2-62.8169.5000106.8Q25I23-Q25 HydrophobicContact CG2-CG 4Å
24Q25.8Very low34.4Very low171 Ų171126.9 Ų126.980%0.79973%0.726SS**  trans-94.689.9156.1-85.8-176.9-2200108.6S22 T26S22-Q24 PolarHBondContact O-N 2.99Å; Q24-T26 PolarHBondContact O-N 2.79Å
25Q31.9Very low37.2Very low168 Ų168123 Ų12379%0.78570%0.703SS**  trans-66.6121.1148-77.6175.9-22.200107.2I23I23-Q25 HydrophobicContact CG2-CG 4Å
26T24.7Very low39.9Very low132 Ų132117.8 Ų117.881%0.8168%0.68SS**  trans-124.8141.3160.1-3.30000108.4Q24Q24-T26 PolarHBondContact O-N 2.79Å
27Q27.8Very low42.6Very low185 Ų185116.1 Ų116.186%0.86467%0.668SS**  trans-94.7157.9-155.5-67.4167.7-20.400113.1
28A29.4Very low45.5Very low86 Ų86112.9 Ų112.971%0.71165%0.65SS**  trans-28133.217800000117.9
29P29.8Very low48.4Very low124 Ų124106.1 Ų106.181%0.80561%0.614SS**  trans-77.6126.3158.531.1-29.7000110.5
30C33.5Very low51.2Low123 Ų123104.4 Ų104.483%0.83160%0.597SS**  trans-71.5159.7175.8-87.30000112.9
31P44.9Very low54Low127 Ų127103.4 Ų103.483%0.82558%0.582SS**SBendtrans-106.5153.6-132.737.5-35.7000115.4
32G54.8Low56.8Low70 Ų7097.9 Ų97.972%0.72255%0.551SS**SBendtrans149.4-41.2155.200000115.7
33K64.3Low59.7Low132 Ų13293 Ų9357%0.57452%0.517SS*.  trans-88.3129.3178.2-70.3-173.5177.3-177.10110.8I38 E41K33-I38 HydrophobicContact CB-CD1 4.49Å; K33-I38 HydrophobicContact CB-CG1 4.09Å; K33-E41 IonicContact NZ-OE2 2.79Å; K33-E41 PolarHBondContact NZ-OE2 3.2Å
34T86.2Confident62.3Low48 Ų4889.6 Ų89.629%0.29450%0.504SS..  trans-76.9152.9171.159.30000111I36 Q37 I38T34-I36 PolarHBondContact O-N 2.9Å; T34-I36 VanDerWaalsContact O-N 3.14Å; T34-Q37 WeakPolarHBondContact O-CA 3.46Å; T34-Q37 WeakPolarHBondContact O-CB 3.34Å; T34-Q37 PolarHBondContact O-N 3.39Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.36Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; T34-Q37 PolarHBondContact OG1-OE1 3.3Å; T34-I38 PolarHBondContact O-N 3.19Å; T34-I38 VanDerWaalsContact O-N 3.14Å
35P84.8Confident64.8Low19 Ų1988.6 Ų88.612%0.12350%0.497CS..Hα-helixtrans-51-37.7173.2-30.538.3000113Q37 I38 L39 H89 A92 E93 L96P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.29Å; P35-I38 PolarHBondContact O-N 2.94Å; P35-L39 VanDerWaalsContact O-CB 3.23Å; P35-L39 WeakPolarHBondContact O-CB 3.3Å; P35-L39 PolarHBondContact O-N 2.83Å; P35-H89 WeakPolarHBondContact CD-CE1 3.29Å; P35-H89 WeakPolarHBondContact CD-NE2 3.49Å; P35-A92 HydrophobicContact CB-CB 4.05Å; P35-E93 HydrophobicContact CB-CB 4.19Å; P35-E93 HydrophobicContact CG-CB 4.3Å; P35-L96 HydrophobicContact CB-CD1 3.85Å
36I86.3Confident67.1Low49 Ų4984 Ų8425%0.25148%0.477SS..Hα-helixtrans-56.6-40.1174.7-57.8174000111.8T34 H40 Y52 K88 H89 A92T34-I36 PolarHBondContact O-N 2.9Å; T34-I36 VanDerWaalsContact O-N 3.14Å; I36-H40 VanDerWaalsContact O-CB 3.32Å; I36-H40 WeakPolarHBondContact O-CB 3.28Å; I36-H40 PolarHBondContact O-N 3Å; I36-H40 VanDerWaalsContact O-N 3.12Å; I36-Y52 HydrophobicContact CG2-CE2 4.42Å; I36-K88 HydrophobicContact CD1-CB 3.97Å; I36-H89 HydrophobicContact CD1-CB 4.38Å; I36-A92 HydrophobicContact CB-CB 4.41Å; I36-A92 HydrophobicContact CG1-CB 3.82Å
37Q83.7Confident69.7Low82 Ų8280.8 Ų80.838%0.38347%0.47SS..Hα-helixtrans-74.7-42.1178.5-73.2162.7-61.100112.2T34 P35 L39 H40 E41T34-Q37 WeakPolarHBondContact O-CA 3.46Å; T34-Q37 WeakPolarHBondContact O-CB 3.34Å; T34-Q37 PolarHBondContact O-N 3.39Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.36Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; T34-Q37 PolarHBondContact OG1-OE1 3.3Å; P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.29Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.97Å; Q37-H40 PolarHBondContact O-N 2.87Å; Q37-E41 WeakPolarHBondContact O-CB 3.2Å; Q37-E41 PolarHBondContact O-N 2.92Å
38I86.3Confident72.5Confident48 Ų4875.8 Ų75.825%0.24645%0.449CS..Hα-helixtrans-61-44.6177.8-58.1171.5000109.5K33 T34 P35 H40 E41 Y42 L96K33-I38 HydrophobicContact CB-CD1 4.49Å; K33-I38 HydrophobicContact CB-CG1 4.09Å; T34-I38 PolarHBondContact O-N 3.19Å; T34-I38 VanDerWaalsContact O-N 3.14Å; P35-I38 PolarHBondContact O-N 2.94Å; I38-H40 PolarHBondContact O-N 2.95Å; I38-E41 WeakPolarHBondContact O-CB 3.33Å; I38-E41 PolarHBondContact O-N 2.83Å; I38-Y42 PolarHBondContact O-N 2.87Å; I38-L96 HydrophobicContact CB-CD1 3.92Å; I38-L96 HydrophobicContact CB-CD2 4.24Å; I38-L96 HydrophobicContact CD1-CD1 4.43Å; I38-L96 HydrophobicContact CG2-CD1 4Å; I38-L96 HydrophobicContact CG2-CD2 3.71Å
39L87Confident75.2Confident0 Ų076.2 Ų76.20%044%0.439CS..Hα-helixtrans-68.9-33.6-179.9-165.867.4000112.9P35 Q37 G43 P50 V70 I72 A92 A95 L96 L99P35-L39 VanDerWaalsContact O-CB 3.23Å; P35-L39 WeakPolarHBondContact O-CB 3.3Å; P35-L39 PolarHBondContact O-N 2.83Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.97Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-P50 HydrophobicContact CG-CB 4.49Å; L39-V70 HydrophobicContact CD2-CG1 4.35Å; L39-V70 HydrophobicContact CD2-CG2 4.08Å; L39-I72 HydrophobicContact CD1-CD1 3.28Å; L39-I72 HydrophobicContact CD2-CD1 3.58Å; L39-I72 HydrophobicContact CG-CD1 3.31Å; L39-A92 HydrophobicContact CD2-CB 3.74Å; L39-A95 HydrophobicContact CD1-CB 3.91Å; L39-A95 HydrophobicContact CD2-CB 3.7Å; L39-A95 HydrophobicContact CG-CB 4.48Å; L39-L96 HydrophobicContact CB-CD2 3.98Å; L39-L96 HydrophobicContact CB-CG 4.2Å; L39-L96 HydrophobicContact CD1-CD2 3.61Å; L39-L96 HydrophobicContact CD1-CG 3.92Å; L39-L96 HydrophobicContact CG-CD2 4.42Å; L39-L99 HydrophobicContact CD1-CD1 4.08Å
40H86.9Confident78Confident96 Ų9671 Ų7144%0.44441%0.405SS..Hα-helixtrans-69.7-39.3171.9-173.376.2000112.2I36 Q37 I38 G43 T44 P50I36-H40 VanDerWaalsContact O-CB 3.32Å; I36-H40 WeakPolarHBondContact O-CB 3.28Å; I36-H40 PolarHBondContact O-N 3Å; I36-H40 VanDerWaalsContact O-N 3.12Å; Q37-H40 PolarHBondContact O-N 2.87Å; I38-H40 PolarHBondContact O-N 2.95Å; H40-G43 PolarHBondContact O-N 2.82Å; H40-T44 WeakPolarHBondContact O-CB 3.3Å; H40-T44 PolarHBondContact O-N 2.99Å; H40-T44 PolarHBondContact O-OG1 2.91Å; H40-P50 HydrophobicContact CB-CG 4.18Å
41E85.7Confident80.7Confident75 Ų7569.3 Ų69.335%0.3539%0.39SS..Hα-helixtrans-63.3-42.7174.4-163.7-170.4128.300111K33 Q37 I38 T44 K45K33-E41 IonicContact NZ-OE2 2.79Å; K33-E41 PolarHBondContact NZ-OE2 3.2Å; Q37-E41 WeakPolarHBondContact O-CB 3.2Å; Q37-E41 PolarHBondContact O-N 2.92Å; I38-E41 WeakPolarHBondContact O-CB 3.33Å; I38-E41 PolarHBondContact O-N 2.83Å; E41-T44 PolarHBondContact O-N 2.75Å; E41-K45 WeakPolarHBondContact O-CG 3.16Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 WeakPolarHBondContact OE1-CE 3.28Å; E41-K45 IonicContact OE1-NZ 2.56Å; E41-K45 PolarHBondContact OE1-NZ 2.98Å
42Y84.2Confident82.9Confident65 Ų6565.6 Ų65.626%0.25536%0.36SS..Hα-helixtrans-61.9-52.8173.2178.5-97.5000112I38 T44 K45 I46 L99 I101I38-Y42 PolarHBondContact O-N 2.87Å; Y42-T44 PolarHBondContact O-N 2.93Å; Y42-K45 WeakPolarHBondContact O-CA 3.42Å; Y42-K45 WeakPolarHBondContact O-CB 3.49Å; Y42-K45 PolarHBondContact O-N 2.86Å; Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CD1-CG1 4.31Å; Y42-I46 HydrophobicContact CE1-CD1 3.57Å; Y42-I46 HydrophobicContact CE1-CG1 4.11Å; Y42-I46 HydrophobicContact CE1-CG2 4.08Å; Y42-I46 HydrophobicContact CE2-CG2 4.11Å; Y42-I46 PolarHBondContact O-N 2.97Å; Y42-L99 HydrophobicContact CD1-CD1 4.1Å; Y42-L99 HydrophobicContact CE1-CD1 3.73Å; Y42-L99 HydrophobicContact CE1-CD2 4.35Å; Y42-I101 HydrophobicContact CD1-CD1 3.68Å; Y42-I101 HydrophobicContact CD2-CD1 3.34Å; Y42-I101 HydrophobicContact CD2-CG1 3.95Å; Y42-I101 HydrophobicContact CE1-CD1 3.89Å; Y42-I101 HydrophobicContact CE2-CD1 3.56Å; Y42-I101 HydrophobicContact CE2-CG1 3.92Å; Y42-I101 HydrophobicContact CG-CD1 3.39Å; Y42-I101 HydrophobicContact CG-CG1 4.46Å
43G85.8Confident84.6Confident0 Ų065.9 Ų65.90%035%0.348CS..Hα-helixtrans-56.1-34.3178.100000113.5L39 H40 G47 N48L39-G43 PolarHBondContact O-N 2.91Å; H40-G43 PolarHBondContact O-N 2.82Å; G43-G47 CarbonylContact O-C 3.54Å; G43-G47 PolarHBondContact O-N 2.86Å; G43-G47 VanDerWaalsContact O-N 3.11Å; G43-N48 CarbonylContact C-O 3.57Å; G43-N48 WeakPolarHBondContact CA-O 3.45Å; G43-N48 CarbonylContact O-C 3.53Å; G43-N48 PolarHBondContact O-N 3.16Å
44T84.4Confident85.9Confident82 Ų8263.3 Ų63.350%0.50334%0.339SS..Hα-helixtrans-67.3-39.4174.3-53.60000111.9H40 E41 Y42 G47 L49H40-T44 WeakPolarHBondContact O-CB 3.3Å; H40-T44 PolarHBondContact O-N 2.99Å; H40-T44 PolarHBondContact O-OG1 2.91Å; E41-T44 PolarHBondContact O-N 2.75Å; Y42-T44 PolarHBondContact O-N 2.93Å; T44-G47 PolarHBondContact O-N 2.98Å; T44-L49 WeakPolarHBondContact OG1-CD2 3.44Å
45K79.6Confident86.1Confident150 Ų15065.9 Ų65.965%0.65235%0.347SS*.Hα-helixtrans-69.2-34.3178-69.4169-172.4168.20112.9E41 Y42E41-K45 WeakPolarHBondContact O-CG 3.16Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 WeakPolarHBondContact OE1-CE 3.28Å; E41-K45 IonicContact OE1-NZ 2.56Å; E41-K45 PolarHBondContact OE1-NZ 2.98Å; Y42-K45 WeakPolarHBondContact O-CA 3.42Å; Y42-K45 WeakPolarHBondContact O-CB 3.49Å; Y42-K45 PolarHBondContact O-N 2.86Å
46I79.7Confident86.2Confident72 Ų7270.4 Ų70.437%0.36937%0.365SS..THydrogen-bonded Turntrans-91.40.8178.665.3157.6000114Y42 N48 I72Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CD1-CG1 4.31Å; Y42-I46 HydrophobicContact CE1-CD1 3.57Å; Y42-I46 HydrophobicContact CE1-CG1 4.11Å; Y42-I46 HydrophobicContact CE1-CG2 4.08Å; Y42-I46 HydrophobicContact CE2-CG2 4.11Å; Y42-I46 PolarHBondContact O-N 2.97Å; I46-N48 HydrophobicContact CD1-CB 3.95Å; I46-N48 HydrophobicContact CG1-CB 4.19Å; I46-N48 PolarHBondContact O-N 3.48Å; I46-I72 HydrophobicContact CD1-CG2 3.73Å
47G79.7Confident86.3Confident64 Ų6471.2 Ų71.266%0.6638%0.379SS*.THydrogen-bonded Turntrans76-1.4-178.500000115.8G43 T44G43-G47 CarbonylContact O-C 3.54Å; G43-G47 PolarHBondContact O-N 2.86Å; G43-G47 VanDerWaalsContact O-N 3.11Å; T44-G47 PolarHBondContact O-N 2.98Å
48N85.6Confident86.4Confident80 Ų8071.5 Ų71.543%0.42838%0.381SS..  trans-115.597.1-178.7-72.8-30.9000110.4G43 I46G43-N48 CarbonylContact C-O 3.57Å; G43-N48 WeakPolarHBondContact CA-O 3.45Å; G43-N48 CarbonylContact O-C 3.53Å; G43-N48 PolarHBondContact O-N 3.16Å; I46-N48 HydrophobicContact CD1-CB 3.95Å; I46-N48 HydrophobicContact CG1-CB 4.19Å; I46-N48 PolarHBondContact O-N 3.48Å
49L85.7Confident86.3Confident95 Ų9572 Ų7250%0.49740%0.398SS..PPolyproline II helixtrans-71.2142.4-178.7-66.3176.4000112.6T44 V51T44-L49 WeakPolarHBondContact OG1-CD2 3.44Å; L49-V51 PolarHBondContact O-N 3.11Å
50P88.4Confident86.1Confident15 Ų1578.3 Ų78.310%0.09743%0.427CS..PPolyproline II helixtrans-65.9120.217825.3-34.6000112.9L39 H40 Y52 V70 T71 I72L39-P50 HydrophobicContact CG-CB 4.49Å; H40-P50 HydrophobicContact CB-CG 4.18Å; P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.81Å; P50-Y52 HydrophobicContact CG-CE2 4.13Å; P50-V70 HydrophobicContact CB-CG2 3.75Å; P50-T71 WeakPolarHBondContact CA-O 3.37Å; P50-I72 HydrophobicContact CB-CD1 3.89Å; P50-I72 HydrophobicContact CB-CG1 3.62Å
51V90.4Very high85.6Confident86 Ų8679 Ų7952%0.52145%0.45SS..EExtended strand (participates in β ladder)trans-96.2119.7174.4-178.10000109.3L49 V53 V70 T71L49-V51 PolarHBondContact O-N 3.11Å; V51-V53 HydrophobicContact CG1-CG2 4.24Å; V51-V70 CarbonylContact O-C 3.32Å; V51-V70 VanDerWaalsContact O-CA 3.3Å; V51-V70 WeakPolarHBondContact O-CA 3.49Å; V51-T71 PolarHBondContact N-O 3.06Å; V51-T71 PolarHBondContact O-N 3.18Å
52Y91.2Very high85.3Confident49 Ų4982.8 Ų82.819%0.19247%0.467CS..EExtended strand (participates in β ladder)trans-103.7112.7179.2-66.6-95000111.7I36 P50 N69 V70 K88 A92I36-Y52 HydrophobicContact CG2-CE2 4.42Å; P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.81Å; P50-Y52 HydrophobicContact CG-CE2 4.13Å; Y52-N69 CarbonylContact C-O 3.56Å; Y52-N69 WeakPolarHBondContact CA-O 3.33Å; Y52-V70 HydrophobicContact CD1-CB 3.78Å; Y52-V70 HydrophobicContact CD1-CG2 3.81Å; Y52-V70 HydrophobicContact CD2-CG2 4.25Å; Y52-V70 HydrophobicContact CE1-CB 3.74Å; Y52-V70 HydrophobicContact CE1-CG2 3.56Å; Y52-V70 HydrophobicContact CE2-CG2 4.02Å; Y52-V70 HydrophobicContact CG-CB 4.44Å; Y52-V70 HydrophobicContact CG-CG2 4.16Å; Y52-K88 HydrophobicContact CD1-CB 4.33Å; Y52-K88 HydrophobicContact CD1-CD 4.46Å; Y52-K88 HydrophobicContact CD1-CG 4.08Å; Y52-K88 HydrophobicContact CE1-CB 4.46Å; Y52-A92 HydrophobicContact CE1-CB 4.18Å; Y52-A92 WeakPolarHBondContact OH-CB 3.41Å
53V91.1Very high85Confident77 Ų7786.8 Ų86.847%0.46749%0.488SS..EExtended strand (participates in β ladder)trans-106.3137.7177.3178.90000109.8V51 F68 N69V51-V53 HydrophobicContact CG1-CG2 4.24Å; V53-F68 CarbonylContact O-C 3.2Å; V53-F68 WeakPolarHBondContact O-CA 3.37Å; V53-F68 WeakPolarHBondContact O-CD1 3.23Å; V53-N69 PolarHBondContact N-O 3.05Å; V53-N69 PolarHBondContact O-N 3.44Å
54M91.3Very high85Confident78 Ų7889.1 Ų89.138%0.38450%0.503SS..EExtended strand (participates in β ladder)trans-85.8116.3170.4-172.3-173.3-56.500108.2A57 F68 K84M54-A57 HydrophobicContact SD-CB 4.33Å; M54-F68 HydrophobicContact CB-CD1 4.26Å; M54-F68 HydrophobicContact CB-CE1 3.7Å; M54-F68 HydrophobicContact CB-CE2 4.11Å; M54-F68 HydrophobicContact CB-CZ 3.65Å; M54-F68 HydrophobicContact CE-CE1 4.5Å; M54-F68 HydrophobicContact CE-CE2 3.84Å; M54-F68 HydrophobicContact CE-CZ 3.49Å; M54-F68 VanDerWaalsContact CE-CZ 3.49Å; M54-F68 HydrophobicContact CG-CD2 4.42Å; M54-F68 HydrophobicContact CG-CE1 4.42Å; M54-F68 HydrophobicContact CG-CE2 3.91Å; M54-F68 HydrophobicContact CG-CZ 3.92Å; M54-K84 HydrophobicContact CE-CD 3.63Å; M54-K84 HydrophobicContact CE-CG 4.09Å
55E90.7Very high85.3Confident101 Ų10186.4 Ų86.447%0.47249%0.488SS..EExtended strand (participates in β ladder)trans-88.8-43.8179.1-67-171.1159.700111.6I67 N69E55-I67 HydrophobicContact CB-CG2 4.45Å; E55-I67 PolarHBondContact N-O 3.45Å; E55-N69 HydrophobicContact CG-CB 3.89Å; E55-N69 VanDerWaalsContact OE1-CB 3.29Å; E55-N69 WeakPolarHBondContact OE1-CB 3.44Å; E55-N69 PolarHBondContact OE1-ND2 3.4Å
56K86.1Confident85.9Confident114 Ų11481 Ų8150%0.49646%0.464SS..EExtended strand (participates in β ladder)trans-142.3148.9-178.2-60.1-175.1-178.61780112.4I67K56-I67 HydrophobicContact CB-CB 4.22Å; K56-I67 HydrophobicContact CB-CD1 4.31Å; K56-I67 HydrophobicContact CD-CD1 4.24Å; K56-I67 PolarHBondContact N-O 2.97Å; K56-I67 PolarHBondContact O-N 2.92Å
57A89.1Confident86.4Confident66 Ų6678.9 Ų78.955%0.54545%0.454SS..EExtended strand (participates in β ladder)trans-133.1108164.200000106.6M54 S65 F66M54-A57 HydrophobicContact SD-CB 4.33Å; A57-S65 WeakPolarHBondContact CA-O 3.43Å; A57-F66 HydrophobicContact CB-CD1 3.72Å; A57-F66 HydrophobicContact CB-CE1 3.83Å
58E85.6Confident87.1Confident89 Ų8976.2 Ų76.242%0.41642%0.424SS..EExtended strand (participates in β ladder)trans-138.7179.5-171.763.5-167.4175.900110.3S65 I67E58-S65 PolarHBondContact N-O 3.45Å; E58-S65 WeakPolarHBondContact O-CA 3.38Å; E58-S65 PolarHBondContact O-N 3.43Å; E58-I67 WeakPolarHBondContact OE1-CD1 3.43Å
59G84.6Confident87.4Confident59 Ų5973.7 Ų73.761%0.60841%0.41SS*.EExtended strand (participates in β ladder)trans90.8167.5-17500000114.1
60E82.1Confident87.7Confident132 Ų13269.2 Ų69.262%0.61739%0.387SS*.EExtended strand (participates in β ladder)trans-82.2160.3-173.2-58.2-168.4137.800111.5H62 Q63 P64E60-H62 PolarHBondContact O-N 3.45Å; E60-H62 IonicContact OE2-CE1 2.97Å; E60-H62 PolarHBondContact OE2-CE1 3.13Å; E60-H62 IonicContact OE2-ND1 3.85Å; E60-H62 IonicContact OE2-NE2 2.64Å; E60-Q63 PolarHBondContact N-O 3.12Å; E60-Q63 CarbonylContact O-C 3.57Å; E60-Q63 PolarHBondContact O-N 3.29Å; E60-P64 VanDerWaalsContact O-N 3.12Å
61A75.6Confident87.8Confident111 Ų11171 Ų7192%0.91740%0.398SS*.THydrogen-bonded Turntrans-58.1-23.5-174.900000114.3
62H80.2Confident87.7Confident153 Ų15367.2 Ų67.271%0.70837%0.374SS*.THydrogen-bonded Turntrans-94.8-10.6176.569.4-96.9000113.9E60E60-H62 PolarHBondContact O-N 3.45Å; E60-H62 IonicContact OE2-CE1 2.97Å; E60-H62 PolarHBondContact OE2-CE1 3.13Å; E60-H62 IonicContact OE2-ND1 3.85Å; E60-H62 IonicContact OE2-NE2 2.64Å
63Q78.8Confident87.3Confident149 Ų14966.5 Ų66.570%0.69638%0.382SS*.EExtended strand (participates in β ladder)trans-144.268.8174.9-168.8174.481.600110.2E60E60-Q63 PolarHBondContact N-O 3.12Å; E60-Q63 CarbonylContact O-C 3.57Å; E60-Q63 PolarHBondContact O-N 3.29Å
64P85.9Confident86.9Confident50 Ų5071.2 Ų71.233%0.32541%0.405SS..EExtended strand (participates in β ladder)trans-70.7147.2178.730.6-35.9000110.8E60 F66 S82E60-P64 VanDerWaalsContact O-N 3.12Å; P64-F66 HydrophobicContact CB-CE2 3.9Å; P64-F66 HydrophobicContact CB-CZ 4.2Å; P64-F66 HydrophobicContact CG-CE2 4.33Å; P64-S82 VanDerWaalsContact O-CA 3.32Å; P64-S82 WeakPolarHBondContact O-CA 3.41Å
65S89.4Confident86.5Confident25 Ų2569.2 Ų69.218%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-132.2125.9-179.1-167.70000110.2A57 E58 Q80A57-S65 WeakPolarHBondContact CA-O 3.43Å; E58-S65 PolarHBondContact N-O 3.45Å; E58-S65 WeakPolarHBondContact O-CA 3.38Å; E58-S65 PolarHBondContact O-N 3.43Å; S65-Q80 WeakPolarHBondContact OG-CG 3.05Å; S65-Q80 PolarHBondContact OG-NE2 3.31Å
66F92.1Very high86.4Confident36 Ų3668 Ų6816%0.15840%0.399CS..EExtended strand (participates in β ladder)trans-116.4135.8179.9-58.8-85.6000109.3A57 P64 Q80 G81 K84 A87A57-F66 HydrophobicContact CB-CD1 3.72Å; A57-F66 HydrophobicContact CB-CE1 3.83Å; P64-F66 HydrophobicContact CB-CE2 3.9Å; P64-F66 HydrophobicContact CB-CZ 4.2Å; P64-F66 HydrophobicContact CG-CE2 4.33Å; F66-Q80 CarbonylContact O-C 3.56Å; F66-Q80 VanDerWaalsContact O-CA 3.28Å; F66-Q80 WeakPolarHBondContact O-CA 3.35Å; F66-G81 PolarHBondContact N-O 3.36Å; F66-G81 PolarHBondContact O-N 3.07Å; F66-K84 HydrophobicContact CD1-CG 3.68Å; F66-K84 HydrophobicContact CD2-CG 4.38Å; F66-K84 HydrophobicContact CE1-CD 4.44Å; F66-K84 HydrophobicContact CE1-CG 3.9Å; F66-K84 HydrophobicContact CG-CG 3.94Å; F66-K84 HydrophobicContact CZ-CG 4.33Å; F66-A87 HydrophobicContact CB-CB 3.94Å; F66-A87 WeakPolarHBondContact O-CB 3.24Å
67I91Very high86.7Confident28 Ų2863.2 Ų63.214%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-115.8123.9174.6-61172.4000108.1E55 K56 E58 G79 Q80E55-I67 HydrophobicContact CB-CG2 4.45Å; E55-I67 PolarHBondContact N-O 3.45Å; K56-I67 HydrophobicContact CB-CB 4.22Å; K56-I67 HydrophobicContact CB-CD1 4.31Å; K56-I67 HydrophobicContact CD-CD1 4.24Å; K56-I67 PolarHBondContact N-O 2.97Å; K56-I67 PolarHBondContact O-N 2.92Å; E58-I67 WeakPolarHBondContact OE1-CD1 3.43Å; I67-G79 WeakPolarHBondContact CA-O 3.46Å; I67-Q80 HydrophobicContact CG1-CB 4.24Å; I67-Q80 HydrophobicContact CG1-CG 3.89Å
68F94.6Very high86.8Confident8 Ų863.8 Ų63.84%0.03538%0.377CS..EExtended strand (participates in β ladder)trans-116.9141.9174.9-90.9-93.6000110.2V53 M54 T78 G79 K84 A87 K88 A91V53-F68 CarbonylContact O-C 3.2Å; V53-F68 WeakPolarHBondContact O-CA 3.37Å; V53-F68 WeakPolarHBondContact O-CD1 3.23Å; M54-F68 HydrophobicContact CB-CD1 4.26Å; M54-F68 HydrophobicContact CB-CE1 3.7Å; M54-F68 HydrophobicContact CB-CE2 4.11Å; M54-F68 HydrophobicContact CB-CZ 3.65Å; M54-F68 HydrophobicContact CE-CE1 4.5Å; M54-F68 HydrophobicContact CE-CE2 3.84Å; M54-F68 HydrophobicContact CE-CZ 3.49Å; M54-F68 VanDerWaalsContact CE-CZ 3.49Å; M54-F68 HydrophobicContact CG-CD2 4.42Å; M54-F68 HydrophobicContact CG-CE1 4.42Å; M54-F68 HydrophobicContact CG-CE2 3.91Å; M54-F68 HydrophobicContact CG-CZ 3.92Å; F68-T78 CarbonylContact O-C 3.39Å; F68-T78 VanDerWaalsContact O-CA 3.3Å; F68-T78 WeakPolarHBondContact O-CA 3.19Å; F68-G79 PolarHBondContact N-O 3.49Å; F68-G79 PolarHBondContact O-N 2.94Å; F68-K84 HydrophobicContact CE2-CB 3.98Å; F68-K84 HydrophobicContact CE2-CG 4.19Å; F68-K84 HydrophobicContact CZ-CB 4.42Å; F68-A87 HydrophobicContact CB-CB 4.38Å; F68-A87 HydrophobicContact CD2-CB 3.73Å; F68-A87 HydrophobicContact CG-CB 4.49Å; F68-K88 HydrophobicContact CB-CG 4.26Å; F68-K88 HydrophobicContact CD1-CD 4.29Å; F68-K88 HydrophobicContact CD1-CG 3.63Å; F68-K88 HydrophobicContact CD2-CG 4.04Å; F68-K88 HydrophobicContact CE1-CD 4.14Å; F68-K88 HydrophobicContact CE1-CG 3.92Å; F68-K88 HydrophobicContact CE2-CG 4.27Å; F68-K88 HydrophobicContact CG-CG 3.69Å; F68-K88 HydrophobicContact CZ-CD 4.41Å; F68-K88 HydrophobicContact CZ-CG 4.2Å; F68-A91 HydrophobicContact CB-CB 4.41Å
69N91.1Very high87.2Confident26 Ų2659.9 Ų59.914%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-106.5139.4168.3-169.6-10.5000108.5Y52 V53 E55 C77 T78Y52-N69 CarbonylContact C-O 3.56Å; Y52-N69 WeakPolarHBondContact CA-O 3.33Å; V53-N69 PolarHBondContact N-O 3.05Å; V53-N69 PolarHBondContact O-N 3.44Å; E55-N69 HydrophobicContact CG-CB 3.89Å; E55-N69 VanDerWaalsContact OE1-CB 3.29Å; E55-N69 WeakPolarHBondContact OE1-CB 3.44Å; E55-N69 PolarHBondContact OE1-ND2 3.4Å; N69-C77 CarbonylContact C-O 3.15Å; N69-C77 WeakPolarHBondContact CA-O 3.37Å; N69-C77 PolarHBondContact OD1-O 3.43Å; N69-T78 HydrophobicContact CB-CG2 4.07Å
70V93.4Very high87.5Confident1 Ų162 Ų621%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-118.5130.9170.966.30000109.5L39 P50 V51 Y52 I72 S76 C77 A91 A95L39-V70 HydrophobicContact CD2-CG1 4.35Å; L39-V70 HydrophobicContact CD2-CG2 4.08Å; P50-V70 HydrophobicContact CB-CG2 3.75Å; V51-V70 CarbonylContact O-C 3.32Å; V51-V70 VanDerWaalsContact O-CA 3.3Å; V51-V70 WeakPolarHBondContact O-CA 3.49Å; Y52-V70 HydrophobicContact CD1-CB 3.78Å; Y52-V70 HydrophobicContact CD1-CG2 3.81Å; Y52-V70 HydrophobicContact CD2-CG2 4.25Å; Y52-V70 HydrophobicContact CE1-CB 3.74Å; Y52-V70 HydrophobicContact CE1-CG2 3.56Å; Y52-V70 HydrophobicContact CE2-CG2 4.02Å; Y52-V70 HydrophobicContact CG-CB 4.44Å; Y52-V70 HydrophobicContact CG-CG2 4.16Å; V70-I72 HydrophobicContact CG2-CD1 4.37Å; V70-I72 HydrophobicContact CG2-CG1 4.46Å; V70-S76 CarbonylContact O-C 3.55Å; V70-S76 VanDerWaalsContact O-CA 3.28Å; V70-S76 WeakPolarHBondContact O-CA 3.42Å; V70-C77 HydrophobicContact CG1-CB 4.1Å; V70-C77 PolarHBondContact N-O 3.49Å; V70-C77 PolarHBondContact O-N 2.95Å; V70-A91 HydrophobicContact CB-CB 4.38Å; V70-A91 HydrophobicContact CG1-CB 4.07Å; V70-A91 VanDerWaalsContact CG1-O 3.23Å; V70-A91 WeakPolarHBondContact CG1-O 3.32Å; V70-A95 HydrophobicContact CG1-CB 3.74Å
71T89.9Confident88Confident54 Ų5456.5 Ų56.533%0.33133%0.332SS..EExtended strand (participates in β ladder)trans-120.6132.1179.1-45.30000110.8P50 V51 V75P50-T71 WeakPolarHBondContact CA-O 3.37Å; V51-T71 PolarHBondContact N-O 3.06Å; V51-T71 PolarHBondContact O-N 3.18Å; T71-V75 CarbonylContact C-O 3.58Å; T71-V75 WeakPolarHBondContact CA-O 3.32Å
72I87.3Confident88.5Confident6 Ų655.6 Ų55.63%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-141.4107.3-177.2-64.9160.3000108.6L39 I46 P50 V70 D74 V75 A95 L99L39-I72 HydrophobicContact CD1-CD1 3.28Å; L39-I72 HydrophobicContact CD2-CD1 3.58Å; L39-I72 HydrophobicContact CG-CD1 3.31Å; I46-I72 HydrophobicContact CD1-CG2 3.73Å; P50-I72 HydrophobicContact CB-CD1 3.89Å; P50-I72 HydrophobicContact CB-CG1 3.62Å; V70-I72 HydrophobicContact CG2-CD1 4.37Å; V70-I72 HydrophobicContact CG2-CG1 4.46Å; I72-D74 PolarHBondContact O-N 3.28Å; I72-V75 PolarHBondContact N-O 3.39Å; I72-V75 PolarHBondContact O-N 3.3Å; I72-A95 HydrophobicContact CD1-CB 4.4Å; I72-L99 HydrophobicContact CD1-CD1 4.48Å
73G83.5Confident88.9Confident34 Ų3450.5 Ų50.535%0.35130%0.301SS..THydrogen-bonded Turntrans54.7-124.2-169.600000109.7
74D82.6Confident89.3Confident176 Ų17648.9 Ų48.994%0.94129%0.292SS*.THydrogen-bonded Turntrans-87.8-4179.9-52.3-56.9000114I72I72-D74 PolarHBondContact O-N 3.28Å
75V83.1Confident89.4Confident36 Ų3654.2 Ų54.222%0.21831%0.31CS..EExtended strand (participates in β ladder)trans-94.2129.7-179.1169.80000110.8T71 I72 L98 L99T71-V75 CarbonylContact C-O 3.58Å; T71-V75 WeakPolarHBondContact CA-O 3.32Å; I72-V75 PolarHBondContact N-O 3.39Å; I72-V75 PolarHBondContact O-N 3.3Å; V75-L98 HydrophobicContact CG1-CD2 3.67Å; V75-L98 HydrophobicContact CG2-CD2 4.11Å; V75-L99 HydrophobicContact CB-CD2 4.46Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å
76S88.8Confident89.2Confident75 Ų7554.8 Ų54.852%0.52432%0.316SS..EExtended strand (participates in β ladder)trans-126.9141.317058.20000111.5V70V70-S76 CarbonylContact O-C 3.55Å; V70-S76 VanDerWaalsContact O-CA 3.28Å; V70-S76 WeakPolarHBondContact O-CA 3.42Å
77C91.5Very high89.2Confident13 Ų1353.1 Ų53.19%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-144137.2-176.9-75.80000110.8N69 V70 A95N69-C77 CarbonylContact C-O 3.15Å; N69-C77 WeakPolarHBondContact CA-O 3.37Å; N69-C77 PolarHBondContact OD1-O 3.43Å; V70-C77 HydrophobicContact CG1-CB 4.1Å; V70-C77 PolarHBondContact N-O 3.49Å; V70-C77 PolarHBondContact O-N 2.95Å; C77-A95 HydrophobicContact CB-CB 3.99Å
78T91.9Very high89.2Confident79 Ų7955.2 Ų55.249%0.48532%0.317SS..EExtended strand (participates in β ladder)trans-100.5154.1176.655.80000112F68 N69F68-T78 CarbonylContact O-C 3.39Å; F68-T78 VanDerWaalsContact O-CA 3.3Å; F68-T78 WeakPolarHBondContact O-CA 3.19Å; N69-T78 HydrophobicContact CB-CG2 4.07Å
79G93.1Very high89.1Confident6 Ų658.1 Ų58.16%0.06233%0.33CS..EExtended strand (participates in β ladder)trans-150.8140.5176.500000111.8I67 F68I67-G79 WeakPolarHBondContact CA-O 3.46Å; F68-G79 PolarHBondContact N-O 3.49Å; F68-G79 PolarHBondContact O-N 2.94Å
80Q92.6Very high89.1Confident105 Ų10560.6 Ų60.649%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-113.7152-176.1-169.6172.731.600110.7S65 F66 I67S65-Q80 WeakPolarHBondContact OG-CG 3.05Å; S65-Q80 PolarHBondContact OG-NE2 3.31Å; F66-Q80 CarbonylContact O-C 3.56Å; F66-Q80 VanDerWaalsContact O-CA 3.28Å; F66-Q80 WeakPolarHBondContact O-CA 3.35Å; I67-Q80 HydrophobicContact CG1-CB 4.24Å; I67-Q80 HydrophobicContact CG1-CG 3.89Å
81G91.5Very high89.1Confident15 Ų1560.6 Ų60.616%0.15534%0.341CS..EExtended strand (participates in β ladder)trans-175.1163.6170.800000114F66 S83F66-G81 PolarHBondContact N-O 3.36Å; F66-G81 PolarHBondContact O-N 3.07Å; G81-S83 PolarHBondContact O-N 3.12Å
82S86.2Confident89.2Confident92 Ų9258 Ų5864%0.64333%0.325SS*.SBendtrans-67.7-4.2-178.957.60000114.9P64P64-S82 VanDerWaalsContact O-CA 3.32Å; P64-S82 WeakPolarHBondContact O-CA 3.41Å
83S89.7Confident89.4Confident47 Ų4761.2 Ų61.233%0.32934%0.34SS..SBendtrans-146.8156.2173.268.80000110.7G81 K85 A86 A87G81-S83 PolarHBondContact O-N 3.12Å; S83-K85 PolarHBondContact O-N 3.06Å; S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 WeakPolarHBondContact OG-CB 3.44Å; S83-A86 PolarHBondContact OG-N 2.82Å; S83-A86 VanDerWaalsContact OG-N 3.12Å; S83-A87 PolarHBondContact O-N 3.03Å
84K86.4Confident89.6Confident114 Ų11461.4 Ų61.450%0.49634%0.336SS..Hα-helixtrans-55.2-26.1173.5-59.5-179.9-178.4-178.80113.1M54 F66 F68 K88M54-K84 HydrophobicContact CE-CD 3.63Å; M54-K84 HydrophobicContact CE-CG 4.09Å; F66-K84 HydrophobicContact CD1-CG 3.68Å; F66-K84 HydrophobicContact CD2-CG 4.38Å; F66-K84 HydrophobicContact CE1-CD 4.44Å; F66-K84 HydrophobicContact CE1-CG 3.9Å; F66-K84 HydrophobicContact CG-CG 3.94Å; F66-K84 HydrophobicContact CZ-CG 4.33Å; F68-K84 HydrophobicContact CE2-CB 3.98Å; F68-K84 HydrophobicContact CE2-CG 4.19Å; F68-K84 HydrophobicContact CZ-CB 4.42Å; K84-K88 WeakPolarHBondContact O-CG 3.34Å; K84-K88 PolarHBondContact O-N 2.91Å
85K87.3Confident90Very high162 Ų16253 Ų5370%0.70429%0.292SS*.Hα-helixtrans-76.9-45.8175-173.4-176.6177.1-172.10111.4S83 H89S83-K85 PolarHBondContact O-N 3.06Å; K85-H89 WeakPolarHBondContact O-CB 3.49Å; K85-H89 PolarHBondContact O-N 2.84Å
86A86.6Confident90.2Very high38 Ų3852 Ų5231%0.31429%0.285SS..Hα-helixtrans-63.9-46.2177.800000111.7S83 K88 H89 Q90S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 WeakPolarHBondContact OG-CB 3.44Å; S83-A86 PolarHBondContact OG-N 2.82Å; S83-A86 VanDerWaalsContact OG-N 3.12Å; A86-K88 PolarHBondContact O-N 2.9Å; A86-H89 WeakPolarHBondContact O-CB 3.1Å; A86-H89 PolarHBondContact O-N 2.9Å; A86-H89 VanDerWaalsContact O-N 3.07Å; A86-Q90 PolarHBondContact O-N 3.44Å
87A91.5Very high90Very high0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-59.6-43.6178.200000113F66 F68 S83 H89 Q90 A91F66-A87 HydrophobicContact CB-CB 3.94Å; F66-A87 WeakPolarHBondContact O-CB 3.24Å; F68-A87 HydrophobicContact CB-CB 4.38Å; F68-A87 HydrophobicContact CD2-CB 3.73Å; F68-A87 HydrophobicContact CG-CB 4.49Å; S83-A87 PolarHBondContact O-N 3.03Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.93Å; A87-Q90 PolarHBondContact O-N 3.2Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 2.74Å
88K90.8Very high89.6Confident73 Ų7358.7 Ų58.732%0.31731%0.313SS..Hα-helixtrans-64.4-36.2173.1-77-173.4175.4-161.40113.2I36 Y52 F68 K84 A86 A92I36-K88 HydrophobicContact CD1-CB 3.97Å; Y52-K88 HydrophobicContact CD1-CB 4.33Å; Y52-K88 HydrophobicContact CD1-CD 4.46Å; Y52-K88 HydrophobicContact CD1-CG 4.08Å; Y52-K88 HydrophobicContact CE1-CB 4.46Å; F68-K88 HydrophobicContact CB-CG 4.26Å; F68-K88 HydrophobicContact CD1-CD 4.29Å; F68-K88 HydrophobicContact CD1-CG 3.63Å; F68-K88 HydrophobicContact CD2-CG 4.04Å; F68-K88 HydrophobicContact CE1-CD 4.14Å; F68-K88 HydrophobicContact CE1-CG 3.92Å; F68-K88 HydrophobicContact CE2-CG 4.27Å; F68-K88 HydrophobicContact CG-CG 3.69Å; F68-K88 HydrophobicContact CZ-CD 4.41Å; F68-K88 HydrophobicContact CZ-CG 4.2Å; K84-K88 WeakPolarHBondContact O-CG 3.34Å; K84-K88 PolarHBondContact O-N 2.91Å; A86-K88 PolarHBondContact O-N 2.9Å; K88-A92 WeakPolarHBondContact O-CB 3.48Å; K88-A92 PolarHBondContact O-N 3.25Å
89H91.9Very high89Confident68 Ų6857 Ų5732%0.31530%0.301SS..Hα-helixtrans-65.7-46.4177.2-170.1114.6000110.4P35 I36 K85 A86 A87 A92 E93P35-H89 WeakPolarHBondContact CD-CE1 3.29Å; P35-H89 WeakPolarHBondContact CD-NE2 3.49Å; I36-H89 HydrophobicContact CD1-CB 4.38Å; K85-H89 WeakPolarHBondContact O-CB 3.49Å; K85-H89 PolarHBondContact O-N 2.84Å; A86-H89 WeakPolarHBondContact O-CB 3.1Å; A86-H89 PolarHBondContact O-N 2.9Å; A86-H89 VanDerWaalsContact O-N 3.07Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.93Å; H89-A92 PolarHBondContact O-N 3.46Å; H89-E93 WeakPolarHBondContact O-CB 3.23Å; H89-E93 PolarHBondContact O-N 3.31Å
90Q92.4Very high87.8Confident79 Ų7965.1 Ų65.137%0.36934%0.337SS..Hα-helixtrans-62.9-43.7176.7-164.162.463.800112.1A86 A87 A92 E93 S94A86-Q90 PolarHBondContact O-N 3.44Å; A87-Q90 PolarHBondContact O-N 3.2Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.49Å; Q90-E93 PolarHBondContact NE2-OE2 3.16Å; Q90-E93 PolarHBondContact O-N 2.56Å; Q90-S94 PolarHBondContact O-N 3.31Å; Q90-S94 PolarHBondContact O-OG 3.12Å; Q90-S94 VanDerWaalsContact O-OG 3.12Å
91A93.6Very high86.4Confident0 Ų062.3 Ų62.30%033%0.325CS..Hα-helixtrans-61.7-40.2177.800000111F68 V70 A87 A95F68-A91 HydrophobicContact CB-CB 4.41Å; V70-A91 HydrophobicContact CB-CB 4.38Å; V70-A91 HydrophobicContact CG1-CB 4.07Å; V70-A91 VanDerWaalsContact CG1-O 3.23Å; V70-A91 WeakPolarHBondContact CG1-O 3.32Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 2.74Å; A91-A95 PolarHBondContact O-N 3.48Å; A91-A95 VanDerWaalsContact O-N 3.12Å
92A91.4Very high84.5Confident0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-68.4-40.4177.600000113.1P35 I36 L39 Y52 K88 H89 Q90 A95 L96P35-A92 HydrophobicContact CB-CB 4.05Å; I36-A92 HydrophobicContact CB-CB 4.41Å; I36-A92 HydrophobicContact CG1-CB 3.82Å; L39-A92 HydrophobicContact CD2-CB 3.74Å; Y52-A92 HydrophobicContact CE1-CB 4.18Å; Y52-A92 WeakPolarHBondContact OH-CB 3.41Å; K88-A92 WeakPolarHBondContact O-CB 3.48Å; K88-A92 PolarHBondContact O-N 3.25Å; H89-A92 PolarHBondContact O-N 3.46Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.49Å; A92-A95 PolarHBondContact O-N 3.04Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 2.86Å
93E90.2Very high82.8Confident73 Ų7368 Ų6834%0.34136%0.357SS..Hα-helixtrans-62.5-47.2174.7-177.1177.1-128.600111.5P35 H89 Q90 A95 L96 N97P35-E93 HydrophobicContact CB-CB 4.19Å; P35-E93 HydrophobicContact CG-CB 4.3Å; H89-E93 WeakPolarHBondContact O-CB 3.23Å; H89-E93 PolarHBondContact O-N 3.31Å; Q90-E93 PolarHBondContact NE2-OE2 3.16Å; Q90-E93 PolarHBondContact O-N 2.56Å; E93-A95 VanDerWaalsContact C-N 3.27Å; E93-A95 PolarHBondContact O-N 3.29Å; E93-L96 PolarHBondContact O-N 3.14Å; E93-N97 VanDerWaalsContact O-CG 3.28Å; E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 2.92Å
94S89.4Confident80.5Confident38 Ų3868.6 Ų68.627%0.26637%0.37SS..Hα-helixtrans-56.6-40.5174.7-62.80000112.4Q90 L98Q90-S94 PolarHBondContact O-N 3.31Å; Q90-S94 PolarHBondContact O-OG 3.12Å; Q90-S94 VanDerWaalsContact O-OG 3.12Å; S94-L98 WeakPolarHBondContact O-CB 3.41Å; S94-L98 PolarHBondContact O-N 3.18Å; S94-L98 VanDerWaalsContact O-N 3.07Å
95A89.4Confident78.1Confident1 Ų169.2 Ų69.21%0.00838%0.384CS..Hα-helixtrans-69.6-39.1177.400000113.3L39 V70 I72 C77 A91 A92 E93 L98 L99L39-A95 HydrophobicContact CD1-CB 3.91Å; L39-A95 HydrophobicContact CD2-CB 3.7Å; L39-A95 HydrophobicContact CG-CB 4.48Å; V70-A95 HydrophobicContact CG1-CB 3.74Å; I72-A95 HydrophobicContact CD1-CB 4.4Å; C77-A95 HydrophobicContact CB-CB 3.99Å; A91-A95 PolarHBondContact O-N 3.48Å; A91-A95 VanDerWaalsContact O-N 3.12Å; A92-A95 PolarHBondContact O-N 3.04Å; E93-A95 VanDerWaalsContact C-N 3.27Å; E93-A95 PolarHBondContact O-N 3.29Å; A95-L98 PolarHBondContact O-N 3.29Å; A95-L99 WeakPolarHBondContact O-CB 3.4Å; A95-L99 WeakPolarHBondContact O-CD1 3.49Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.19Å; A95-L99 VanDerWaalsContact O-N 3.13Å
96L88.6Confident75.8Confident14 Ų1467.5 Ų67.57%0.07339%0.389CS..Hα-helixtrans-62.7-43.6174.4-71.5172.8000111.6P35 I38 L39 A92 E93 L98 L99 E100 I101P35-L96 HydrophobicContact CB-CD1 3.85Å; I38-L96 HydrophobicContact CB-CD1 3.92Å; I38-L96 HydrophobicContact CB-CD2 4.24Å; I38-L96 HydrophobicContact CD1-CD1 4.43Å; I38-L96 HydrophobicContact CG2-CD1 4Å; I38-L96 HydrophobicContact CG2-CD2 3.71Å; L39-L96 HydrophobicContact CB-CD2 3.98Å; L39-L96 HydrophobicContact CB-CG 4.2Å; L39-L96 HydrophobicContact CD1-CD2 3.61Å; L39-L96 HydrophobicContact CD1-CG 3.92Å; L39-L96 HydrophobicContact CG-CD2 4.42Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 2.86Å; E93-L96 PolarHBondContact O-N 3.14Å; L96-L98 PolarHBondContact O-N 3Å; L96-L99 PolarHBondContact O-N 3.42Å; L96-E100 PolarHBondContact O-N 2.89Å; L96-I101 HydrophobicContact CD2-CB 4.17Å; L96-I101 HydrophobicContact CD2-CD1 3.87Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 PolarHBondContact O-N 2.93Å
97N84.3Confident73.1Confident118 Ų11874 Ų7463%0.63142%0.418SS*.Hα-helixtrans-62.4-41.4178-68.4-18.3000111.7E93 L99 E100E93-N97 VanDerWaalsContact O-CG 3.28Å; E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 2.92Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.05Å; N97-E100 PolarHBondContact O-N 3.07Å
98L83.4Confident70.5Confident111 Ų11182.5 Ų82.558%0.58146%0.457SS*.Hα-helixtrans-73.6-20.3180-166.1138.7000113.4V75 S94 A95 L96V75-L98 HydrophobicContact CG1-CD2 3.67Å; V75-L98 HydrophobicContact CG2-CD2 4.11Å; S94-L98 WeakPolarHBondContact O-CB 3.41Å; S94-L98 PolarHBondContact O-N 3.18Å; S94-L98 VanDerWaalsContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 3.29Å; L96-L98 PolarHBondContact O-N 3Å
99L77.8Confident67.9Low42 Ų4284.5 Ų84.522%0.2247%0.47CS..THydrogen-bonded Turntrans-92.53.4174.6-68.4165.6000113.1L39 Y42 I72 V75 A95 L96 N97 I101L39-L99 HydrophobicContact CD1-CD1 4.08Å; Y42-L99 HydrophobicContact CD1-CD1 4.1Å; Y42-L99 HydrophobicContact CE1-CD1 3.73Å; Y42-L99 HydrophobicContact CE1-CD2 4.35Å; I72-L99 HydrophobicContact CD1-CD1 4.48Å; V75-L99 HydrophobicContact CB-CD2 4.46Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; A95-L99 WeakPolarHBondContact O-CB 3.4Å; A95-L99 WeakPolarHBondContact O-CD1 3.49Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.19Å; A95-L99 VanDerWaalsContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 3.42Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.05Å; L99-I101 HydrophobicContact CB-CD1 3.47Å; L99-I101 VanDerWaalsContact CB-CD1 3.47Å; L99-I101 HydrophobicContact CB-CG1 3.69Å; L99-I101 HydrophobicContact CD1-CD1 3.79Å; L99-I101 HydrophobicContact CG-CD1 4.26Å; L99-I101 PolarHBondContact O-N 3.12Å; L99-I101 VanDerWaalsContact O-N 3.16Å
100E69.8Low64.9Low178 Ų17889.9 Ų89.983%0.83249%0.493SS*.THydrogen-bonded Turntrans50.831.9-174.8-61.3-171161.200113.9L96 N97 D102L96-E100 PolarHBondContact O-N 2.89Å; N97-E100 PolarHBondContact O-N 3.07Å; E100-D102 PolarHBondContact O-N 2.74Å
101I62.8Low62.4Low46 Ų4692.4 Ų92.424%0.23651%0.514CS..  trans-83.286.2-178.3-56.8160.5000109.4Y42 L96 L99Y42-I101 HydrophobicContact CD1-CD1 3.68Å; Y42-I101 HydrophobicContact CD2-CD1 3.34Å; Y42-I101 HydrophobicContact CD2-CG1 3.95Å; Y42-I101 HydrophobicContact CE1-CD1 3.89Å; Y42-I101 HydrophobicContact CE2-CD1 3.56Å; Y42-I101 HydrophobicContact CE2-CG1 3.92Å; Y42-I101 HydrophobicContact CG-CD1 3.39Å; Y42-I101 HydrophobicContact CG-CG1 4.46Å; L96-I101 HydrophobicContact CD2-CB 4.17Å; L96-I101 HydrophobicContact CD2-CD1 3.87Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 PolarHBondContact O-N 2.93Å; L99-I101 HydrophobicContact CB-CD1 3.47Å; L99-I101 VanDerWaalsContact CB-CD1 3.47Å; L99-I101 HydrophobicContact CB-CG1 3.69Å; L99-I101 HydrophobicContact CD1-CD1 3.79Å; L99-I101 HydrophobicContact CG-CD1 4.26Å; L99-I101 PolarHBondContact O-N 3.12Å; L99-I101 VanDerWaalsContact O-N 3.16Å
102D50.5Low59.2Low138 Ų138101.8 Ų101.874%0.73856%0.557SS**  trans-72.6141.1174.4-158.93.1000111.5E100 G104E100-D102 PolarHBondContact O-N 2.74Å; D102-G104 PolarHBondContact O-N 2.99Å
103A50.6Low56.5Low89 Ų89106.2 Ų106.274%0.73659%0.589SS**THydrogen-bonded Turntrans-76.418.4-167.700000114.5
104G41.8Very low53.9Low58 Ų58110.6 Ų110.660%0.59861%0.614SS**THydrogen-bonded Turntrans-1194.7-15800000118D102 P106D102-G104 PolarHBondContact O-N 2.99Å; G104-P106 WeakPolarHBondContact O-CD 3.44Å
105T37Very low51.1Low128 Ų128112 Ų11279%0.78564%0.635SS**  trans-102.4102.3-179.535.50000113.6L107T105-L107 PolarHBondContact O-N 2.85Å
106P37.7Very low48.7Very low126 Ų126119.3 Ų119.382%0.81867%0.672SS**  trans-84102.2174.732.9-33.2000110.9G104G104-P106 WeakPolarHBondContact O-CD 3.44Å
107L30.9Very low46.3Very low175 Ų175123.5 Ų123.592%0.91670%0.7SS**  trans-106.5122.9164.5-72.2175.8000110.3T105T105-L107 PolarHBondContact O-N 2.85Å
108H36.3Very low44.2Very low177 Ų177122.4 Ų122.482%0.81971%0.707SS**  trans-103.9157.3-172.7-178.648.7000110.7
109I36.1Very low42Very low116 Ų116124.4 Ų124.460%0.59571%0.714SS**  trans109.1114.5156-56-170.3000118.4
110K28.6Very low40.3Very low180 Ų180128 Ų12878%0.78374%0.74SS**  trans74.191.9151.5-71.1163-164.1172.50121.3
111T40.4Very low39Very low132 Ų132123.7 Ų123.781%0.8172%0.722SS**  35.6114.3113.4-39.40000119.9
112E26.6Very low38.2Very low197 Ų197129.4 Ų129.492%0.92175%0.754SS**  -160.1177123.1-110.2169.7-145.800110.9
113S34.8Very low38.5Very low94 Ų94128.3 Ų128.366%0.65774%0.744SS**  trans-83.8158.7-142650000119.8
114N34.2Very low39.1Very low164 Ų164128 Ų12888%0.87773%0.734SS**  trans95.1102.3152.9-64-27.7000119.7
115G31.6Very low41.1Very low67 Ų67129.8 Ų129.869%0.69173%0.73SS**  trans144.360.3163.200000113.9P117G115-P117 WeakPolarHBondContact O-CD 3.4Å
116I38.5Very low43.6Very low155 Ų155124.1 Ų124.180%0.79570%0.696SS**  trans-59.2116.7-168-63173.2000112.4
117P38.4Very low46.2Very low103 Ų103119 Ų11967%0.66966%0.662SS**  trans-72.3155.4166.8-12.630.2000111G115 E119G115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-E119 PolarHBondContact O-N 3.45Å; P117-E119 VanDerWaalsContact O-N 3.11Å
118A40.4Very low49.1Very low94 Ų94111.1 Ų111.178%0.77762%0.623SS**  trans-68.5109.4175.300000111.2
119E36.4Very low51.6Low153 Ų153106.6 Ų106.672%0.71560%0.604SS**  trans-70.6147.9179.2-61-160.9135.800112.9P117 N121P117-E119 PolarHBondContact O-N 3.45Å; P117-E119 VanDerWaalsContact O-N 3.11Å; E119-N121 PolarHBondContact O-N 2.9Å; E119-N121 VanDerWaalsContact O-N 3.12Å
120P42.2Very low54.3Low118 Ų118101.1 Ų101.177%0.76658%0.576SS**  trans-65.1108.5160.429.3-31.3000108.3D122P120-D122 VanDerWaalsContact C-N 3.35Å; P120-D122 PolarHBondContact O-N 2.84Å
121N43.3Very low57.3Low88 Ų8896.7 Ų96.747%0.47156%0.558SS.*  trans-72.784.7-174.6175.8102.6000110.9E119 Q123 K181E119-N121 PolarHBondContact O-N 2.9Å; E119-N121 VanDerWaalsContact O-N 3.12Å; N121-Q123 PolarHBondContact ND2-O 3.14Å; N121-K181 PolarHBondContact OD1-NZ 3.07Å
122D45.9Very low59.7Low166 Ų16696.8 Ų96.889%0.88855%0.55SS*.  trans-78.6-8.5163.5-104-8.2000112.5P120P120-D122 VanDerWaalsContact C-N 3.35Å; P120-D122 PolarHBondContact O-N 2.84Å
123Q56.1Low62.7Low114 Ų11488.6 Ų88.653%0.53351%0.512SS..SBendtrans-62.7133.2168-69.3179.9-7.900110.1N121N121-Q123 PolarHBondContact ND2-O 3.14Å
124P63.3Low65.3Low82 Ų8284.1 Ų84.153%0.53248%0.481SS..  trans-51.2142.8-175.119.3-32.4000112.6S126 I129 K181P124-S126 PolarHBondContact O-N 3.17Å; P124-S126 PolarHBondContact O-OG 3.11Å; P124-I129 HydrophobicContact CB-CD1 3.72Å; P124-K181 WeakPolarHBondContact O-CE 3.29Å
125N85.2Confident67.8Low96 Ų9681.5 Ų81.551%0.51347%0.466SS..  trans-77.674.9175.2-179.622.8000109.7V127 G128 I129N125-V127 PolarHBondContact O-N 2.68Å; N125-G128 WeakPolarHBondContact O-CA 3.48Å; N125-G128 PolarHBondContact O-N 2.7Å; N125-G128 PolarHBondContact OD1-N 3.13Å; N125-I129 PolarHBondContact O-N 2.97Å
126S88.3Confident70.5Confident9 Ų986 Ų866%0.06347%0.469CS..Hα-helixtrans-54.6-29.5-175.4-430000113.4P124 L130 E185P124-S126 PolarHBondContact O-N 3.17Å; P124-S126 PolarHBondContact O-OG 3.11Å; S126-L130 VanDerWaalsContact O-CB 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.19Å; S126-L130 PolarHBondContact O-N 2.91Å; S126-L130 VanDerWaalsContact O-N 3.07Å; S126-E185 WeakPolarHBondContact OG-CG 3.22Å; S126-E185 PolarHBondContact OG-OE1 2.79Å
127V92.1Very high72.6Confident19 Ų1984.2 Ų84.212%0.11545%0.452CS..Hα-helixtrans-66.4-43.6172.4-176.50000111.5N125 Q131 Y144 K180 K181 A184N125-V127 PolarHBondContact O-N 2.68Å; V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.27Å; V127-Y144 HydrophobicContact CG1-CE2 4.29Å; V127-K180 HydrophobicContact CG1-CD 4.33Å; V127-K180 HydrophobicContact CG2-CG 4.24Å; V127-K181 HydrophobicContact CG2-CB 4.26Å; V127-A184 HydrophobicContact CB-CB 4.48Å; V127-A184 HydrophobicContact CG2-CB 3.98Å
128G91.5Very high74.5Confident10 Ų1082.7 Ų82.710%0.10346%0.455CS..Hα-helixtrans-68.7-47.4176.700000111.9N125 L130 Q131 E132N125-G128 WeakPolarHBondContact O-CA 3.48Å; N125-G128 PolarHBondContact O-N 2.7Å; N125-G128 PolarHBondContact OD1-N 3.13Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 3.23Å; G128-Q131 CarbonylContact O-C 3.56Å; G128-Q131 WeakPolarHBondContact O-CA 3.43Å; G128-Q131 WeakPolarHBondContact O-CB 3.2Å; G128-Q131 PolarHBondContact O-N 2.9Å; G128-E132 WeakPolarHBondContact O-CB 3.44Å; G128-E132 WeakPolarHBondContact O-CG 3.45Å; G128-E132 PolarHBondContact O-N 2.99Å
129I90.6Very high76.7Confident82 Ų8279.7 Ų79.742%0.42142%0.424SS..Hα-helixtrans-57.4-45.9178.1-64.3168.2000111P124 N125 Q131 E132 L133P124-I129 HydrophobicContact CB-CD1 3.72Å; N125-I129 PolarHBondContact O-N 2.97Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.82Å; I129-E132 PolarHBondContact O-N 2.86Å; I129-L133 VanDerWaalsContact O-CB 3.27Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 2.94Å
130L91.1Very high78.9Confident0 Ų077.3 Ų77.30%041%0.408CS..Hα-helixtrans-64.8-35177.3-171.766.7000112.4S126 G128 A134 P142 M164 A184 M187 V188 L191S126-L130 VanDerWaalsContact O-CB 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.19Å; S126-L130 PolarHBondContact O-N 2.91Å; S126-L130 VanDerWaalsContact O-N 3.07Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.14Å; L130-A134 VanDerWaalsContact O-N 3.1Å; L130-P142 HydrophobicContact CD2-CB 3.91Å; L130-P142 HydrophobicContact CD2-CG 4.09Å; L130-P142 HydrophobicContact CG-CB 4.34Å; L130-P142 HydrophobicContact CG-CG 4.09Å; L130-M164 HydrophobicContact CD1-CE 4.36Å; L130-M164 HydrophobicContact CD1-SD 3.58Å; L130-M164 VanDerWaalsContact CD1-SD 3.58Å; L130-M164 HydrophobicContact CD2-SD 4.2Å; L130-M164 HydrophobicContact CG-SD 3.86Å; L130-A184 HydrophobicContact CD2-CB 4.16Å; L130-M187 HydrophobicContact CD1-CG 4.15Å; L130-M187 HydrophobicContact CD2-CB 3.89Å; L130-M187 HydrophobicContact CD2-CG 3.88Å; L130-V188 HydrophobicContact CB-CG2 4.17Å; L130-V188 HydrophobicContact CD1-CG2 3.88Å; L130-L191 HydrophobicContact CD1-CD1 3.64Å
131Q91.7Very high81.1Confident87 Ų8776.2 Ų76.241%0.40740%0.395SS..Hα-helixtrans-72.5-41.9177.1-178.3174.5-18.300112.3V127 G128 I129 A134 L135 L141V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.27Å; G128-Q131 CarbonylContact O-C 3.56Å; G128-Q131 WeakPolarHBondContact O-CA 3.43Å; G128-Q131 WeakPolarHBondContact O-CB 3.2Å; G128-Q131 PolarHBondContact O-N 2.9Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.82Å; Q131-A134 PolarHBondContact O-N 2.9Å; Q131-L135 HydrophobicContact CG-CD1 4.33Å; Q131-L135 WeakPolarHBondContact O-CG 3.27Å; Q131-L135 PolarHBondContact O-N 3.33Å; Q131-L141 HydrophobicContact CG-CD2 4.26Å
132E91.1Very high83.4Confident135 Ų13572.7 Ų72.763%0.63138%0.377SS*.Hα-helixtrans-64.9-43.6175.4-74.6169.2-163.100111.2G128 I129 A134 L135 Q136G128-E132 WeakPolarHBondContact O-CB 3.44Å; G128-E132 WeakPolarHBondContact O-CG 3.45Å; G128-E132 PolarHBondContact O-N 2.99Å; I129-E132 PolarHBondContact O-N 2.86Å; E132-A134 PolarHBondContact O-N 3.2Å; E132-L135 PolarHBondContact O-N 3.04Å; E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 PolarHBondContact O-N 2.72Å
133L89.1Confident85.7Confident25 Ų2569 Ų6913%0.13136%0.355CS..Hα-helixtrans-58.5-45.8173.5178.967.1000111.7I129 L135 Q136 R137 W139 L191 I200I129-L133 VanDerWaalsContact O-CB 3.27Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 2.94Å; L133-L135 PolarHBondContact O-N 2.87Å; L133-Q136 PolarHBondContact O-N 2.95Å; L133-R137 HydrophobicContact CD1-CG 4.06Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.31Å; L133-R137 WeakPolarHBondContact O-CG 3.27Å; L133-R137 PolarHBondContact O-N 3.46Å; L133-W139 HydrophobicContact CD1-CZ3 4.49Å; L133-W139 HydrophobicContact CD2-CZ3 3.99Å; L133-W139 HydrophobicContact CG-CZ3 3.87Å; L133-L191 HydrophobicContact CD2-CD1 4.3Å; L133-I200 HydrophobicContact CD2-CB 4.31Å; L133-I200 HydrophobicContact CD2-CD1 3.53Å; L133-I200 HydrophobicContact CD2-CG2 4.2Å
134A89.6Confident87.5Confident0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-59.5-47176.700000111.5L130 Q131 E132 R137 G138 W139 L141 M164L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.14Å; L130-A134 VanDerWaalsContact O-N 3.1Å; Q131-A134 PolarHBondContact O-N 2.9Å; E132-A134 PolarHBondContact O-N 3.2Å; A134-R137 PolarHBondContact O-N 3.42Å; A134-G138 PolarHBondContact O-N 2.92Å; A134-W139 HydrophobicContact CB-CB 4.32Å; A134-W139 PolarHBondContact O-N 3.32Å; A134-L141 HydrophobicContact CB-CD2 4.36Å; A134-M164 HydrophobicContact CB-CE 3.69Å
135L88Confident89Confident109 Ų10965.3 Ų65.357%0.57133%0.333SS*.Hα-helixtrans-62.2-47177.4-74167.1000112.3Q131 E132 L133 R137 G138 L141Q131-L135 HydrophobicContact CG-CD1 4.33Å; Q131-L135 WeakPolarHBondContact O-CG 3.27Å; Q131-L135 PolarHBondContact O-N 3.33Å; E132-L135 PolarHBondContact O-N 3.04Å; L133-L135 PolarHBondContact O-N 2.87Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.48Å; L135-G138 PolarHBondContact O-N 3.12Å; L135-L141 HydrophobicContact CD2-CD2 3.81Å; L135-L141 HydrophobicContact CG-CD2 3.8Å
136Q87.1Confident89.4Confident161 Ų16163.7 Ų63.775%0.75233%0.327SS*.Hα-helixtrans-63.6-32.8-178.7-171.1-177.218.500112.5E132 L133E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 PolarHBondContact O-N 2.72Å; L133-Q136 PolarHBondContact O-N 2.95Å
137R83.8Confident89.6Confident118 Ų11869.2 Ų69.245%0.44536%0.355SS..Hα-helixtrans-93.5-1.1179-60.6-69.2-160.7-1733.7113.9L133 A134 L135 W139 I200L133-R137 HydrophobicContact CD1-CG 4.06Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.31Å; L133-R137 WeakPolarHBondContact O-CG 3.27Å; L133-R137 PolarHBondContact O-N 3.46Å; A134-R137 PolarHBondContact O-N 3.42Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.48Å; R137-W139 VanDerWaalsContact C-N 3.29Å; R137-W139 HydrophobicContact CB-CD2 3.54Å; R137-W139 HydrophobicContact CB-CE3 4.05Å; R137-W139 HydrophobicContact CB-CG 3.92Å; R137-W139 HydrophobicContact CB-CH2 4.26Å; R137-W139 HydrophobicContact CB-CZ2 3.72Å; R137-W139 HydrophobicContact CB-CZ3 4.4Å; R137-W139 HydrophobicContact CG-CD2 4.26Å; R137-W139 HydrophobicContact CG-CE3 4.36Å; R137-W139 HydrophobicContact CG-CH2 3.94Å; R137-W139 HydrophobicContact CG-CZ2 3.74Å; R137-W139 HydrophobicContact CG-CZ3 4.23Å; R137-W139 PolarHBondContact O-N 3.5Å; R137-I200 PolarHBondContact NH2-O 3.48Å
138G78.6Confident89.3Confident70 Ų7072.6 Ų72.672%0.72237%0.371SS*.THydrogen-bonded Turntrans70.120.2-177.800000114.8A134 L135A134-G138 PolarHBondContact O-N 2.92Å; L135-G138 PolarHBondContact O-N 3.12Å
139W85.6Confident89.4Confident31 Ų3177.1 Ų77.112%0.11739%0.389CS..PPolyproline II helixtrans-81.4162.6179.2-56-22.3000111.9L133 A134 R137 M164 I200 W202 P204L133-W139 HydrophobicContact CD1-CZ3 4.49Å; L133-W139 HydrophobicContact CD2-CZ3 3.99Å; L133-W139 HydrophobicContact CG-CZ3 3.87Å; A134-W139 HydrophobicContact CB-CB 4.32Å; A134-W139 PolarHBondContact O-N 3.32Å; R137-W139 VanDerWaalsContact C-N 3.29Å; R137-W139 HydrophobicContact CB-CD2 3.54Å; R137-W139 HydrophobicContact CB-CE3 4.05Å; R137-W139 HydrophobicContact CB-CG 3.92Å; R137-W139 HydrophobicContact CB-CH2 4.26Å; R137-W139 HydrophobicContact CB-CZ2 3.72Å; R137-W139 HydrophobicContact CB-CZ3 4.4Å; R137-W139 HydrophobicContact CG-CD2 4.26Å; R137-W139 HydrophobicContact CG-CE3 4.36Å; R137-W139 HydrophobicContact CG-CH2 3.94Å; R137-W139 HydrophobicContact CG-CZ2 3.74Å; R137-W139 HydrophobicContact CG-CZ3 4.23Å; R137-W139 PolarHBondContact O-N 3.5Å; W139-M164 HydrophobicContact CB-CE 4.45Å; W139-M164 HydrophobicContact CD2-CE 4.45Å; W139-M164 HydrophobicContact CE3-CE 3.5Å; W139-M164 VanDerWaalsContact CE3-CE 3.5Å; W139-M164 HydrophobicContact CZ3-CE 4.14Å; W139-I200 HydrophobicContact CH2-CG2 4.13Å; W139-W202 HydrophobicContact CH2-CE3 4.12Å; W139-W202 WeakPolarHBondContact CH2-O 3.44Å; W139-W202 HydrophobicContact CZ2-CE3 4.4Å; W139-W202 WeakPolarHBondContact CZ2-O 3.31Å; W139-W202 HydrophobicContact CZ3-CE3 4.47Å; W139-P204 HydrophobicContact CD2-CG 4.41Å; W139-P204 VanDerWaalsContact CE2-CD 3.45Å; W139-P204 HydrophobicContact CG-CG 4.09Å
140R82.2Confident89.3Confident104 Ų10474.8 Ų74.839%0.39238%0.382SS..PPolyproline II helixtrans-66.2140.7172.2-64.7-177.3-78.7-146.2-4.8110E165 S207R140-E165 VanDerWaalsContact CB-OE1 3.22Å; R140-E165 WeakPolarHBondContact CB-OE1 3.37Å; R140-E165 WeakPolarHBondContact CG-OE1 3.3Å; R140-E165 IonicContact CZ-OE2 3.86Å; R140-E165 PolarHBondContact N-OE1 2.63Å; R140-E165 IonicContact NE-OE1 3.11Å; R140-E165 IonicContact NE-OE2 2.66Å; R140-E165 PolarHBondContact NE-OE2 3.22Å; R140-E165 IonicContact NH2-OE2 2.63Å; R140-E165 PolarHBondContact NH2-OE2 2.87Å; R140-S207 PolarHBondContact NH1-O 2.8Å; R140-S207 PolarHBondContact NH2-O 3.12Å
141L89.2Confident89Confident95 Ų9577.3 Ų77.350%0.49741%0.408SS..PPolyproline II helixtrans-62.5141.1-179.4-61.2-176.6000111.1Q131 A134 L135 E143Q131-L141 HydrophobicContact CG-CD2 4.26Å; A134-L141 HydrophobicContact CB-CD2 4.36Å; L135-L141 HydrophobicContact CD2-CD2 3.81Å; L135-L141 HydrophobicContact CG-CD2 3.8Å; L141-E143 PolarHBondContact O-N 2.77Å
142P91.8Very high88.6Confident14 Ų1475.8 Ų75.89%0.09141%0.406CS..PPolyproline II helixtrans-63.9126178.125.7-34.5000111.2L130 Y144 M164L130-P142 HydrophobicContact CD2-CB 3.91Å; L130-P142 HydrophobicContact CD2-CG 4.09Å; L130-P142 HydrophobicContact CG-CB 4.34Å; L130-P142 HydrophobicContact CG-CG 4.09Å; P142-Y144 HydrophobicContact CB-CE2 3.87Å; P142-Y144 HydrophobicContact CG-CE2 3.97Å; P142-Y144 VanDerWaalsContact O-CD2 3.29Å; P142-Y144 WeakPolarHBondContact O-CD2 3.45Å; P142-Y144 VanDerWaalsContact O-CE2 3.3Å; P142-Y144 WeakPolarHBondContact O-CE2 3.39Å; P142-M164 HydrophobicContact CB-CB 4.4Å; P142-M164 HydrophobicContact CB-CG 4.47Å; P142-M164 HydrophobicContact CB-SD 4.23Å
143E93Very high88.1Confident89 Ų8974.5 Ų74.542%0.41641%0.409SS..EExtended strand (participates in β ladder)trans-93.7138.5179-168.7-178.8136.600109.8L141 C162 R163L141-E143 PolarHBondContact O-N 2.77Å; E143-C162 CarbonylContact O-C 3.6Å; E143-C162 WeakPolarHBondContact O-CA 3.47Å; E143-R163 PolarHBondContact N-O 2.78Å; E143-R163 PolarHBondContact O-N 2.82Å; E143-R163 IonicContact OE1-CZ 2.7Å; E143-R163 IonicContact OE1-NH1 2.72Å; E143-R163 IonicContact OE1-NH2 3.51Å; E143-R163 PolarHBondContact OE1-NH2 3.12Å; E143-R163 IonicContact OE2-CZ 2.68Å; E143-R163 IonicContact OE2-NE 3.52Å; E143-R163 IonicContact OE2-NH2 3.45Å; E143-R163 PolarHBondContact OE2-NH2 2.88Å
144Y94.5Very high87.7Confident48 Ų4881.3 Ų81.319%0.18844%0.44CS..EExtended strand (participates in β ladder)trans-125.7121.8-176.5-62.6-96.7000110.9V127 P142 V160 T161 C162 K180 A184V127-Y144 HydrophobicContact CG1-CE2 4.29Å; P142-Y144 HydrophobicContact CB-CE2 3.87Å; P142-Y144 HydrophobicContact CG-CE2 3.97Å; P142-Y144 VanDerWaalsContact O-CD2 3.29Å; P142-Y144 WeakPolarHBondContact O-CD2 3.45Å; P142-Y144 VanDerWaalsContact O-CE2 3.3Å; P142-Y144 WeakPolarHBondContact O-CE2 3.39Å; Y144-V160 HydrophobicContact CD1-CG1 4.32Å; Y144-T161 WeakPolarHBondContact CA-O 3.42Å; Y144-C162 HydrophobicContact CD1-CB 3.85Å; Y144-C162 HydrophobicContact CE1-CB 3.76Å; Y144-C162 VanDerWaalsContact CE1-SG 3.55Å; Y144-K180 HydrophobicContact CD1-CD 4.21Å; Y144-K180 HydrophobicContact CD1-CG 3.41Å; Y144-K180 VanDerWaalsContact CD1-CG 3.41Å; Y144-K180 HydrophobicContact CD2-CD 4.48Å; Y144-K180 HydrophobicContact CE1-CG 3.7Å; Y144-K180 HydrophobicContact CG-CD 4.16Å; Y144-K180 HydrophobicContact CG-CG 3.84Å; Y144-A184 HydrophobicContact CE1-CB 4.16Å; Y144-A184 WeakPolarHBondContact OH-CB 3.35Å
145T94.4Very high87.4Confident69 Ų6989.1 Ų89.142%0.42347%0.474SS..EExtended strand (participates in β ladder)trans-118.7130.9-179.4-46.10000109.6V160 T161T145-V160 WeakPolarHBondContact O-CA 3.43Å; T145-T161 PolarHBondContact N-O 3.07Å; T145-T161 PolarHBondContact O-N 3.07Å
146V94.8Very high87.2Confident62 Ų6290.5 Ų90.538%0.37647%0.472SS..EExtended strand (participates in β ladder)trans-80.2118.5169.7-173.80000107.3E149 V160 K176V146-E149 HydrophobicContact CG1-CG 3.92Å; V146-V160 HydrophobicContact CG2-CG2 4.2Å; V146-K176 HydrophobicContact CG2-CD 4.28Å
147L91.1Very high87.5Confident125 Ų12586.7 Ų86.765%0.65445%0.454SS*.EExtended strand (participates in β ladder)trans-98.1-33.4-174.3-168.2146.7000112.1T159L147-T159 PolarHBondContact N-O 3.32Å
148M87.3Confident88Confident90 Ų9081.8 Ų81.844%0.44344%0.436SS..EExtended strand (participates in β ladder)trans-146.3143.2178.9-173.5172.264.400111.4A150 F158 T159M148-A150 HydrophobicContact CE-CB 4.27Å; M148-A150 HydrophobicContact CG-CB 4.17Å; M148-A150 HydrophobicContact SD-CB 4.26Å; M148-F158 WeakPolarHBondContact O-CA 3.3Å; M148-T159 WeakPolarHBondContact CE-OG1 3.09Å; M148-T159 PolarHBondContact N-O 2.82Å; M148-T159 PolarHBondContact O-N 2.86Å
149E92.7Very high88.7Confident105 Ų10579 Ų7949%0.49141%0.405SS..EExtended strand (participates in β ladder)trans-124.9115.1166.6-50.4-166.9-169.900107.3V146 E157 F158 K176V146-E149 HydrophobicContact CG1-CG 3.92Å; E149-E157 WeakPolarHBondContact CA-O 3.48Å; E149-F158 HydrophobicContact CB-CD1 4.22Å; E149-F158 HydrophobicContact CB-CE1 4.26Å; E149-F158 HydrophobicContact CG-CD1 3.75Å; E149-F158 HydrophobicContact CG-CE1 3.96Å; E149-F158 WeakPolarHBondContact OE2-CE1 3.42Å; E149-K176 WeakPolarHBondContact OE1-CE 3.48Å; E149-K176 IonicContact OE1-NZ 3.44Å; E149-K176 PolarHBondContact OE1-NZ 2.92Å; E149-K176 IonicContact OE2-NZ 3.69Å; E149-K176 PolarHBondContact OE2-NZ 3.48Å
150A88.8Confident89.3Confident34 Ų3477.8 Ų77.828%0.28140%0.4SS..EExtended strand (participates in β ladder)trans-134.3174.4-171.500000111.8M148 R156 E157M148-A150 HydrophobicContact CE-CB 4.27Å; M148-A150 HydrophobicContact CG-CB 4.17Å; M148-A150 HydrophobicContact SD-CB 4.26Å; A150-R156 CarbonylContact O-C 3.57Å; A150-R156 WeakPolarHBondContact O-CA 3.35Å; A150-E157 PolarHBondContact N-O 3.39Å; A150-E157 PolarHBondContact O-N 2.9Å
151G85.6Confident89.9Confident53 Ų5373.6 Ų73.655%0.54639%0.386SS..SBendtrans81.6162.9176.400000114.8
152P82.8Confident90.2Very high55 Ų5569 Ų6936%0.35736%0.363SS..  trans-70.1163.2-177.730.9-36.6000111.6H154 K155 R156P152-H154 WeakPolarHBondContact CG-NE2 3.43Å; P152-H154 PolarHBondContact O-N 3.47Å; P152-K155 HydrophobicContact CG-CB 3.97Å; P152-K155 CarbonylContact O-C 3.6Å; P152-K155 PolarHBondContact O-N 2.93Å; P152-R156 WeakPolarHBondContact O-CG 3.49Å; P152-R156 PolarHBondContact O-N 3.11Å; P152-R156 VanDerWaalsContact O-N 3.16Å
153P80Confident90.2Very high107 Ų10772.2 Ų72.270%0.69537%0.373SS*.THydrogen-bonded Turntrans-53.3-29.1-176.4-29.536.2000115.9
154H80.4Confident90Very high168 Ų16868 Ų6878%0.77835%0.353SS*.THydrogen-bonded Turntrans-91.3-6.5178.658.5-100.9000114.3P152P152-H154 WeakPolarHBondContact CG-NE2 3.43Å; P152-H154 PolarHBondContact O-N 3.47Å
155K83.4Confident89.5Confident164 Ų16467.4 Ų67.471%0.71335%0.352SS*.SBendtrans-146.858.7178.1-167.1-174.2177.2-178.10109.4P152P152-K155 HydrophobicContact CG-CB 3.97Å; P152-K155 CarbonylContact O-C 3.6Å; P152-K155 PolarHBondContact O-N 2.93Å
156R85.5Confident88.8Confident139 Ų13968.7 Ų68.753%0.52536%0.364SS..  trans-71.9141.6176.9-66.9-173.5-178.9-172.90.8110.5A150 P152 F158 N174A150-R156 CarbonylContact O-C 3.57Å; A150-R156 WeakPolarHBondContact O-CA 3.35Å; P152-R156 WeakPolarHBondContact O-CG 3.49Å; P152-R156 PolarHBondContact O-N 3.11Å; P152-R156 VanDerWaalsContact O-N 3.16Å; R156-F158 HydrophobicContact CB-CE2 3.72Å; R156-F158 HydrophobicContact CB-CZ 4.12Å; R156-N174 WeakPolarHBondContact O-CA 3.4Å
157E92.8Very high88.5Confident80 Ų8066.7 Ų66.737%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-124.3133.4175.6-178.3163.2-140.800109.1E149 A150 M172E149-E157 WeakPolarHBondContact CA-O 3.48Å; A150-E157 PolarHBondContact N-O 3.39Å; A150-E157 PolarHBondContact O-N 2.9Å; E157-M172 HydrophobicContact CG-CB 4.41Å
158F93.4Very high88.5Confident16 Ų1663.9 Ų63.97%0.0734%0.339CS..EExtended strand (participates in β ladder)trans-120.4125.8-179.4-61.1-93.4000108.6M148 E149 R156 M172 G173 K176 A179M148-F158 WeakPolarHBondContact O-CA 3.3Å; E149-F158 HydrophobicContact CB-CD1 4.22Å; E149-F158 HydrophobicContact CB-CE1 4.26Å; E149-F158 HydrophobicContact CG-CD1 3.75Å; E149-F158 HydrophobicContact CG-CE1 3.96Å; E149-F158 WeakPolarHBondContact OE2-CE1 3.42Å; R156-F158 HydrophobicContact CB-CE2 3.72Å; R156-F158 HydrophobicContact CB-CZ 4.12Å; F158-M172 CarbonylContact O-C 3.59Å; F158-M172 VanDerWaalsContact O-CA 3.27Å; F158-M172 WeakPolarHBondContact O-CA 3.44Å; F158-G173 PolarHBondContact N-O 3.21Å; F158-G173 PolarHBondContact O-N 3.36Å; F158-K176 HydrophobicContact CB-CG 4.49Å; F158-K176 HydrophobicContact CD1-CD 4.2Å; F158-K176 HydrophobicContact CD1-CG 3.38Å; F158-K176 HydrophobicContact CE1-CD 4.2Å; F158-K176 VanDerWaalsContact CE1-CE 3.41Å; F158-K176 HydrophobicContact CE1-CG 3.64Å; F158-K176 HydrophobicContact CG-CG 3.92Å; F158-K176 HydrophobicContact CZ-CG 4.36Å; F158-A179 HydrophobicContact CB-CB 4.09Å; F158-A179 WeakPolarHBondContact O-CB 3.19Å
159T94.6Very high89Confident12 Ų1261.8 Ų61.87%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-99.3119.5172.6-51.10000108.4L147 M148 T170 A171 M172L147-T159 PolarHBondContact N-O 3.32Å; M148-T159 WeakPolarHBondContact CE-OG1 3.09Å; M148-T159 PolarHBondContact N-O 2.82Å; M148-T159 PolarHBondContact O-N 2.86Å; T159-T170 HydrophobicContact CG2-CG2 3.38Å; T159-A171 WeakPolarHBondContact CA-O 3.42Å; T159-M172 HydrophobicContact CG2-CG 4.18Å
160V96.8Very high89.1Confident4 Ų459.3 Ų59.32%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-118.9132.2179.6176.30000109.6Y144 T145 V146 T170 A171 A179 K180 A183Y144-V160 HydrophobicContact CD1-CG1 4.32Å; T145-V160 WeakPolarHBondContact O-CA 3.43Å; V146-V160 HydrophobicContact CG2-CG2 4.2Å; V160-T170 WeakPolarHBondContact O-CA 3.2Å; V160-A171 PolarHBondContact N-O 3.18Å; V160-A171 PolarHBondContact O-N 3.14Å; V160-A179 HydrophobicContact CB-CB 3.95Å; V160-A179 HydrophobicContact CG2-CB 3.52Å; V160-K180 HydrophobicContact CG1-CB 4.3Å; V160-A183 HydrophobicContact CG1-CB 4.35Å
161T95.9Very high89.4Confident16 Ų1657.8 Ų57.810%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-102.2126174.1-60.60000109Y144 T145 T168 E169 T170Y144-T161 WeakPolarHBondContact CA-O 3.42Å; T145-T161 PolarHBondContact N-O 3.07Å; T145-T161 PolarHBondContact O-N 3.07Å; T161-T168 HydrophobicContact CG2-CG2 3.27Å; T161-E169 CarbonylContact C-O 3.58Å; T161-E169 WeakPolarHBondContact CA-O 3.42Å; T161-T170 PolarHBondContact OG1-OG1 3.29Å
162C95.5Very high89.8Confident0 Ų060.4 Ų60.40%031%0.307CS..EExtended strand (participates in β ladder)trans-97124.4167.1-177.60000108.4E143 Y144 T168 E169 A183 M187E143-C162 CarbonylContact O-C 3.6Å; E143-C162 WeakPolarHBondContact O-CA 3.47Å; Y144-C162 HydrophobicContact CD1-CB 3.85Å; Y144-C162 HydrophobicContact CE1-CB 3.76Å; Y144-C162 VanDerWaalsContact CE1-SG 3.55Å; C162-T168 WeakPolarHBondContact O-CA 3.39Å; C162-E169 PolarHBondContact N-O 3.44Å; C162-E169 PolarHBondContact O-N 3.28Å; C162-A183 HydrophobicContact CB-CB 3.85Å; C162-M187 HydrophobicContact CB-CE 4.3Å; C162-M187 WeakPolarHBondContact O-CE 3.21Å
163R91.4Very high90.3Very high80 Ų8058.3 Ų58.330%0.30230%0.296SS..EExtended strand (participates in β ladder)trans-113.5128.9172.9-17717470.9-140.36.9109.1E143 R209E143-R163 PolarHBondContact N-O 2.78Å; E143-R163 PolarHBondContact O-N 2.82Å; E143-R163 IonicContact OE1-CZ 2.7Å; E143-R163 IonicContact OE1-NH1 2.72Å; E143-R163 IonicContact OE1-NH2 3.51Å; E143-R163 PolarHBondContact OE1-NH2 3.12Å; E143-R163 IonicContact OE2-CZ 2.68Å; E143-R163 IonicContact OE2-NE 3.52Å; E143-R163 IonicContact OE2-NH2 3.45Å; E143-R163 PolarHBondContact OE2-NH2 2.88Å; R163-R209 VanDerWaalsContact NH2-NH2 3.12Å
164M88.1Confident90.7Very high1 Ų158.6 Ų58.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-142.4111178.5-172.2167.8179.300108.6L130 A134 W139 P142 S166 L167 M187 L191L130-M164 HydrophobicContact CD1-CE 4.36Å; L130-M164 HydrophobicContact CD1-SD 3.58Å; L130-M164 VanDerWaalsContact CD1-SD 3.58Å; L130-M164 HydrophobicContact CD2-SD 4.2Å; L130-M164 HydrophobicContact CG-SD 3.86Å; A134-M164 HydrophobicContact CB-CE 3.69Å; W139-M164 HydrophobicContact CB-CE 4.45Å; W139-M164 HydrophobicContact CD2-CE 4.45Å; W139-M164 HydrophobicContact CE3-CE 3.5Å; W139-M164 VanDerWaalsContact CE3-CE 3.5Å; W139-M164 HydrophobicContact CZ3-CE 4.14Å; P142-M164 HydrophobicContact CB-CB 4.4Å; P142-M164 HydrophobicContact CB-CG 4.47Å; P142-M164 HydrophobicContact CB-SD 4.23Å; M164-S166 PolarHBondContact O-N 3.33Å; M164-L167 PolarHBondContact N-O 2.93Å; M164-L167 WeakPolarHBondContact O-CA 3.29Å; M164-L167 WeakPolarHBondContact O-CB 3.44Å; M164-L167 PolarHBondContact O-N 3.49Å; M164-M187 HydrophobicContact CB-CE 3.93Å; M164-M187 HydrophobicContact CB-CG 4.25Å; M164-M187 HydrophobicContact CB-SD 4.14Å; M164-M187 HydrophobicContact SD-CG 4.34Å; M164-L191 HydrophobicContact SD-CD1 4.32Å
165E83.4Confident91.1Very high35 Ų3552.5 Ų52.516%0.16427%0.267CS..THydrogen-bonded Turntrans54.5-129.3-173.5-54.1-66.2173.600111.5R140 L167 W202 P204R140-E165 VanDerWaalsContact CB-OE1 3.22Å; R140-E165 WeakPolarHBondContact CB-OE1 3.37Å; R140-E165 WeakPolarHBondContact CG-OE1 3.3Å; R140-E165 IonicContact CZ-OE2 3.86Å; R140-E165 PolarHBondContact N-OE1 2.63Å; R140-E165 IonicContact NE-OE1 3.11Å; R140-E165 IonicContact NE-OE2 2.66Å; R140-E165 PolarHBondContact NE-OE2 3.22Å; R140-E165 IonicContact NH2-OE2 2.63Å; R140-E165 PolarHBondContact NH2-OE2 2.87Å; E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.14Å; E165-W202 HydrophobicContact CB-CH2 4.24Å; E165-P204 HydrophobicContact CB-CB 3.89Å; E165-P204 HydrophobicContact CG-CB 3.66Å; E165-P204 HydrophobicContact CG-CG 4.05Å
166S79.7Confident91.3Very high97 Ų9749.5 Ų49.568%0.67825%0.254SS*.THydrogen-bonded Turntrans-77.6-7.4174.256.40000113.8M164M164-S166 PolarHBondContact O-N 3.33Å
167L88.5Confident91.5Very high20 Ų2051 Ų5111%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-91.8139.9-178.2-52.8-177.7000110.9M164 E165 M187 K190 L191 L194 W202M164-L167 PolarHBondContact N-O 2.93Å; M164-L167 WeakPolarHBondContact O-CA 3.29Å; M164-L167 WeakPolarHBondContact O-CB 3.44Å; M164-L167 PolarHBondContact O-N 3.49Å; E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.14Å; L167-M187 HydrophobicContact CB-CE 4.13Å; L167-M187 HydrophobicContact CB-SD 3.71Å; L167-M187 HydrophobicContact CD1-SD 4.26Å; L167-K190 HydrophobicContact CB-CD 4.49Å; L167-K190 HydrophobicContact CD1-CD 4.44Å; L167-L191 HydrophobicContact CD1-CD2 3.66Å; L167-L191 HydrophobicContact CD1-CG 4.44Å; L167-L194 HydrophobicContact CD1-CD1 3.71Å; L167-L194 HydrophobicContact CD2-CD1 3.94Å; L167-W202 HydrophobicContact CD1-CH2 3.8Å; L167-W202 HydrophobicContact CD1-CZ2 3.67Å; L167-W202 HydrophobicContact CD1-CZ3 4.42Å; L167-W202 HydrophobicContact CD2-CZ2 4.36Å; L167-W202 HydrophobicContact CG-CH2 4.07Å; L167-W202 HydrophobicContact CG-CZ2 3.88Å
168T92.8Very high91.5Very high65 Ų6550.5 Ų50.540%0.39927%0.267SS..EExtended strand (participates in β ladder)trans-133.3140170.8-60.80000108.5T161 C162 K190T161-T168 HydrophobicContact CG2-CG2 3.27Å; C162-T168 WeakPolarHBondContact O-CA 3.39Å; T168-K190 PolarHBondContact O-NZ 3.4Å
169E96.3Very high91.5Very high46 Ų4649.7 Ų49.722%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-139.2143.1175.4-84-55.8137.800111.1T161 C162 K186 M187 K190T161-E169 CarbonylContact C-O 3.58Å; T161-E169 WeakPolarHBondContact CA-O 3.42Å; C162-E169 PolarHBondContact N-O 3.44Å; C162-E169 PolarHBondContact O-N 3.28Å; E169-K186 HydrophobicContact CB-CB 4.02Å; E169-K186 HydrophobicContact CG-CB 4.06Å; E169-M187 HydrophobicContact CB-CE 4.06Å; E169-M187 HydrophobicContact CG-CE 4.33Å; E169-M187 HydrophobicContact CG-SD 4.39Å; E169-K190 HydrophobicContact CG-CB 4.5Å; E169-K190 HydrophobicContact CG-CD 3.73Å; E169-K190 WeakPolarHBondContact OE1-CD 3.24Å; E169-K190 WeakPolarHBondContact OE1-CE 3.42Å; E169-K190 IonicContact OE1-NZ 3.83Å; E169-K190 PolarHBondContact OE1-NZ 3.41Å
170T95.4Very high91.4Very high53 Ų5352.9 Ų52.933%0.32528%0.276SS..EExtended strand (participates in β ladder)trans-126.4131.5-176.1-60.60000110.6T159 V160 T161 K186T159-T170 HydrophobicContact CG2-CG2 3.38Å; V160-T170 WeakPolarHBondContact O-CA 3.2Å; T161-T170 PolarHBondContact OG1-OG1 3.29Å; T170-K186 WeakPolarHBondContact O-CD 3.42Å; T170-K186 PolarHBondContact O-NZ 3.04Å
171A95.9Very high91.3Very high3 Ų353.8 Ų53.83%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-134.1164.4176.900000111.8T159 V160 A182 A183 K186T159-A171 WeakPolarHBondContact CA-O 3.42Å; V160-A171 PolarHBondContact N-O 3.18Å; V160-A171 PolarHBondContact O-N 3.14Å; A171-A182 HydrophobicContact CB-CB 3.63Å; A171-A183 HydrophobicContact CB-CB 3.94Å; A171-A183 VanDerWaalsContact CB-N 3.29Å; A171-K186 HydrophobicContact CB-CD 4.2Å
172M93.5Very high91.2Very high108 Ų10854.1 Ų54.153%0.53228%0.284SS..EExtended strand (participates in β ladder)trans-120.1157.1-178.7-55.7-172.7-54.600110E157 F158 T159E157-M172 HydrophobicContact CG-CB 4.41Å; F158-M172 CarbonylContact O-C 3.59Å; F158-M172 VanDerWaalsContact O-CA 3.27Å; F158-M172 WeakPolarHBondContact O-CA 3.44Å; T159-M172 HydrophobicContact CG2-CG 4.18Å
173G91.9Very high91.3Very high11 Ų1154.1 Ų54.111%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-169.9160.8176.200000112.7F158 S175F158-G173 PolarHBondContact N-O 3.21Å; F158-G173 PolarHBondContact O-N 3.36Å; G173-S175 PolarHBondContact O-N 3Å; G173-S175 VanDerWaalsContact O-N 3.14Å
174N88.5Confident91.5Very high113 Ų11350.3 Ų50.360%0.60427%0.27SS*.SBendtrans-69-6.1-180648.1000114.6R156R156-N174 WeakPolarHBondContact O-CA 3.4Å
175S89.8Confident91.8Very high39 Ų3953.9 Ų53.927%0.27329%0.286SS..SBendtrans-151.5155.2176.165.10000110.1G173 K177 V178 A179G173-S175 PolarHBondContact O-N 3Å; G173-S175 VanDerWaalsContact O-N 3.14Å; S175-K177 PolarHBondContact O-N 2.66Å; S175-K177 VanDerWaalsContact O-N 3.17Å; S175-V178 PolarHBondContact O-N 2.92Å; S175-V178 VanDerWaalsContact O-N 3.13Å; S175-V178 WeakPolarHBondContact OG-CB 3.47Å; S175-V178 VanDerWaalsContact OG-CG2 3.3Å; S175-V178 WeakPolarHBondContact OG-CG2 3.41Å; S175-V178 PolarHBondContact OG-N 3.42Å; S175-A179 WeakPolarHBondContact O-CB 3.36Å; S175-A179 PolarHBondContact O-N 3.49Å
176K87.9Confident92.3Very high101 Ų10156.9 Ų56.944%0.43930%0.299SS..Hα-helixtrans-53.4-36.2174.9-58.2-172.3-168.5-160.30112.4V146 E149 F158 K180V146-K176 HydrophobicContact CG2-CD 4.28Å; E149-K176 WeakPolarHBondContact OE1-CE 3.48Å; E149-K176 IonicContact OE1-NZ 3.44Å; E149-K176 PolarHBondContact OE1-NZ 2.92Å; E149-K176 IonicContact OE2-NZ 3.69Å; E149-K176 PolarHBondContact OE2-NZ 3.48Å; F158-K176 HydrophobicContact CB-CG 4.49Å; F158-K176 HydrophobicContact CD1-CD 4.2Å; F158-K176 HydrophobicContact CD1-CG 3.38Å; F158-K176 HydrophobicContact CE1-CD 4.2Å; F158-K176 VanDerWaalsContact CE1-CE 3.41Å; F158-K176 HydrophobicContact CE1-CG 3.64Å; F158-K176 HydrophobicContact CG-CG 3.92Å; F158-K176 HydrophobicContact CZ-CG 4.36Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.15Å
177K90Very high93Very high172 Ų17252.3 Ų52.375%0.74827%0.267SS*.Hα-helixtrans-67-47.8177.8-173-176.5178.3-172.80111.9S175 K180 K181S175-K177 PolarHBondContact O-N 2.66Å; S175-K177 VanDerWaalsContact O-N 3.17Å; K177-K180 PolarHBondContact O-N 3.45Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 PolarHBondContact O-N 3.39Å
178V91.3Very high93.2Very high68 Ų6852.6 Ų52.641%0.41227%0.269SS..Hα-helixtrans-66.6-45.6179.2171.80000110.7S175 K180 K181 A182S175-V178 PolarHBondContact O-N 2.92Å; S175-V178 VanDerWaalsContact O-N 3.13Å; S175-V178 WeakPolarHBondContact OG-CB 3.47Å; S175-V178 VanDerWaalsContact OG-CG2 3.3Å; S175-V178 WeakPolarHBondContact OG-CG2 3.41Å; S175-V178 PolarHBondContact OG-N 3.42Å; V178-K180 PolarHBondContact O-N 3.34Å; V178-K181 PolarHBondContact O-N 2.87Å; V178-A182 WeakPolarHBondContact O-CB 3.34Å; V178-A182 PolarHBondContact O-N 2.96Å
179A93.7Very high93.1Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-60.6-42176.600000112.4F158 V160 S175 A182 A183F158-A179 HydrophobicContact CB-CB 4.09Å; F158-A179 WeakPolarHBondContact O-CB 3.19Å; V160-A179 HydrophobicContact CB-CB 3.95Å; V160-A179 HydrophobicContact CG2-CB 3.52Å; S175-A179 WeakPolarHBondContact O-CB 3.36Å; S175-A179 PolarHBondContact O-N 3.49Å; A179-A182 PolarHBondContact O-N 3.2Å; A179-A183 WeakPolarHBondContact O-CB 3.12Å; A179-A183 PolarHBondContact O-N 3.02Å
180K93.4Very high92.9Very high79 Ų7952.2 Ų52.234%0.34327%0.269SS..Hα-helixtrans-60.9-43.7174.4-169.5-173.9-176.6-176.50112.1V127 Y144 V160 K176 K177 V178 A183 A184V127-K180 HydrophobicContact CG1-CD 4.33Å; V127-K180 HydrophobicContact CG2-CG 4.24Å; Y144-K180 HydrophobicContact CD1-CD 4.21Å; Y144-K180 HydrophobicContact CD1-CG 3.41Å; Y144-K180 VanDerWaalsContact CD1-CG 3.41Å; Y144-K180 HydrophobicContact CD2-CD 4.48Å; Y144-K180 HydrophobicContact CE1-CG 3.7Å; Y144-K180 HydrophobicContact CG-CD 4.16Å; Y144-K180 HydrophobicContact CG-CG 3.84Å; V160-K180 HydrophobicContact CG1-CB 4.3Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.15Å; K177-K180 PolarHBondContact O-N 3.45Å; V178-K180 PolarHBondContact O-N 3.34Å; K180-A183 PolarHBondContact O-N 2.83Å; K180-A184 PolarHBondContact O-N 2.64Å; K180-A184 VanDerWaalsContact O-N 3.07Å
181K94.3Very high92.6Very high22 Ų2249.7 Ų49.710%0.09625%0.253CS..Hα-helixtrans-63.5-48.6177.3-177.9-176.7176.4-174.40111.6N121 P124 V127 K177 V178 A183 A184 E185N121-K181 PolarHBondContact OD1-NZ 3.07Å; P124-K181 WeakPolarHBondContact O-CE 3.29Å; V127-K181 HydrophobicContact CG2-CB 4.26Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 PolarHBondContact O-N 3.39Å; V178-K181 PolarHBondContact O-N 2.87Å; K181-A183 VanDerWaalsContact C-N 3.26Å; K181-A183 PolarHBondContact O-N 3.2Å; K181-A184 WeakPolarHBondContact O-CB 3.29Å; K181-A184 PolarHBondContact O-N 2.76Å; K181-A184 VanDerWaalsContact O-N 3.12Å; K181-E185 WeakPolarHBondContact CE-OE1 3.37Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.86Å
182A94.7Very high92.3Very high23 Ų2352.9 Ų52.919%0.1927%0.268CS..Hα-helixtrans-61.9-32.8176.900000112.7A171 V178 A179 E185 K186A171-A182 HydrophobicContact CB-CB 3.63Å; V178-A182 WeakPolarHBondContact O-CB 3.34Å; V178-A182 PolarHBondContact O-N 2.96Å; A179-A182 PolarHBondContact O-N 3.2Å; A182-E185 PolarHBondContact O-N 3.21Å; A182-K186 PolarHBondContact O-N 2.89Å; A182-K186 VanDerWaalsContact O-N 3.11Å
183A96.4Very high92.1Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-70-38.217500000111.8V160 C162 A171 A179 K180 K181 M187V160-A183 HydrophobicContact CG1-CB 4.35Å; C162-A183 HydrophobicContact CB-CB 3.85Å; A171-A183 HydrophobicContact CB-CB 3.94Å; A171-A183 VanDerWaalsContact CB-N 3.29Å; A179-A183 WeakPolarHBondContact O-CB 3.12Å; A179-A183 PolarHBondContact O-N 3.02Å; K180-A183 PolarHBondContact O-N 2.83Å; K181-A183 VanDerWaalsContact C-N 3.26Å; K181-A183 PolarHBondContact O-N 3.2Å; A183-M187 PolarHBondContact O-N 2.84Å; A183-M187 VanDerWaalsContact O-N 3.12Å
184A95.5Very high91.8Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-65.5-40.4172.600000112V127 L130 Y144 K180 K181 M187 V188V127-A184 HydrophobicContact CB-CB 4.48Å; V127-A184 HydrophobicContact CG2-CB 3.98Å; L130-A184 HydrophobicContact CD2-CB 4.16Å; Y144-A184 HydrophobicContact CE1-CB 4.16Å; Y144-A184 WeakPolarHBondContact OH-CB 3.35Å; K180-A184 PolarHBondContact O-N 2.64Å; K180-A184 VanDerWaalsContact O-N 3.07Å; K181-A184 WeakPolarHBondContact O-CB 3.29Å; K181-A184 PolarHBondContact O-N 2.76Å; K181-A184 VanDerWaalsContact O-N 3.12Å; A184-M187 WeakPolarHBondContact O-CB 3.5Å; A184-M187 PolarHBondContact O-N 3.2Å; A184-M187 VanDerWaalsContact O-N 3.15Å; A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 3.36Å
185E93.9Very high91.6Very high76 Ų7653.6 Ų53.636%0.35527%0.272SS..Hα-helixtrans-60.6-46.3176.8-74.2164.3-178.800112.2S126 K181 A182 M187 V188 A189S126-E185 WeakPolarHBondContact OG-CG 3.22Å; S126-E185 PolarHBondContact OG-OE1 2.79Å; K181-E185 WeakPolarHBondContact CE-OE1 3.37Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.86Å; A182-E185 PolarHBondContact O-N 3.21Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 3.43Å; E185-V188 PolarHBondContact O-N 2.93Å; E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 2.9Å
186K94.8Very high91.1Very high99 Ų9955.1 Ų55.143%0.4330%0.295SS..Hα-helixtrans-59.6-40.6172.6-73.1-170.4179.6-169.80112.3E169 T170 A171 A182 A189 K190E169-K186 HydrophobicContact CB-CB 4.02Å; E169-K186 HydrophobicContact CG-CB 4.06Å; T170-K186 WeakPolarHBondContact O-CD 3.42Å; T170-K186 PolarHBondContact O-NZ 3.04Å; A171-K186 HydrophobicContact CB-CD 4.2Å; A182-K186 PolarHBondContact O-N 2.89Å; A182-K186 VanDerWaalsContact O-N 3.11Å; K186-A189 PolarHBondContact O-N 2.8Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 PolarHBondContact O-N 3.44Å
187M95.1Very high90.4Very high0 Ų052.8 Ų52.80%029%0.291CS..Hα-helixtrans-64.9-45.9177.5-169.863.97700111.8L130 C162 M164 L167 E169 A183 A184 E185 A189 K190 L191L130-M187 HydrophobicContact CD1-CG 4.15Å; L130-M187 HydrophobicContact CD2-CB 3.89Å; L130-M187 HydrophobicContact CD2-CG 3.88Å; C162-M187 HydrophobicContact CB-CE 4.3Å; C162-M187 WeakPolarHBondContact O-CE 3.21Å; M164-M187 HydrophobicContact CB-CE 3.93Å; M164-M187 HydrophobicContact CB-CG 4.25Å; M164-M187 HydrophobicContact CB-SD 4.14Å; M164-M187 HydrophobicContact SD-CG 4.34Å; L167-M187 HydrophobicContact CB-CE 4.13Å; L167-M187 HydrophobicContact CB-SD 3.71Å; L167-M187 HydrophobicContact CD1-SD 4.26Å; E169-M187 HydrophobicContact CB-CE 4.06Å; E169-M187 HydrophobicContact CG-CE 4.33Å; E169-M187 HydrophobicContact CG-SD 4.39Å; A183-M187 PolarHBondContact O-N 2.84Å; A183-M187 VanDerWaalsContact O-N 3.12Å; A184-M187 WeakPolarHBondContact O-CB 3.5Å; A184-M187 PolarHBondContact O-N 3.2Å; A184-M187 VanDerWaalsContact O-N 3.15Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 3.43Å; M187-A189 PolarHBondContact O-N 3.1Å; M187-K190 WeakPolarHBondContact O-CB 3.35Å; M187-K190 PolarHBondContact O-N 3.26Å; M187-L191 HydrophobicContact CG-CD1 4.44Å; M187-L191 VanDerWaalsContact O-CG 3.31Å; M187-L191 WeakPolarHBondContact O-CG 3.45Å; M187-L191 PolarHBondContact O-N 2.83Å
188V91.4Very high89.6Confident26 Ų2650 Ų5016%0.15829%0.29CS..Hα-helixtrans-58.4-48.1175.1172.70000110.9L130 A184 E185 K190 L191 Q192 I200L130-V188 HydrophobicContact CB-CG2 4.17Å; L130-V188 HydrophobicContact CD1-CG2 3.88Å; A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 3.36Å; E185-V188 PolarHBondContact O-N 2.93Å; V188-K190 VanDerWaalsContact C-N 3.31Å; V188-K190 PolarHBondContact O-N 2.9Å; V188-L191 WeakPolarHBondContact O-CB 3.34Å; V188-L191 PolarHBondContact O-N 3.22Å; V188-Q192 WeakPolarHBondContact O-CG 3.37Å; V188-Q192 PolarHBondContact O-N 2.82Å; V188-I200 HydrophobicContact CG1-CD1 4.25Å
189A90.9Very high89Confident40 Ų4053.3 Ų53.333%0.33130%0.301SS..Hα-helixtrans-61.8-37.5177.500000112.4E185 K186 M187 Q192 N193E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 2.9Å; K186-A189 PolarHBondContact O-N 2.8Å; M187-A189 PolarHBondContact O-N 3.1Å; A189-Q192 PolarHBondContact O-N 2.95Å; A189-N193 WeakPolarHBondContact O-CB 3.36Å; A189-N193 PolarHBondContact O-N 3.27Å; A189-N193 PolarHBondContact O-ND2 3.02Å
190K91.6Very high88.4Confident63 Ų6354.2 Ų54.227%0.27431%0.306SS..Hα-helixtrans-64.2-43.4174.3-170.2175.6-162.2155.90112L167 T168 E169 K186 M187 V188 N193 L194L167-K190 HydrophobicContact CB-CD 4.49Å; L167-K190 HydrophobicContact CD1-CD 4.44Å; T168-K190 PolarHBondContact O-NZ 3.4Å; E169-K190 HydrophobicContact CG-CB 4.5Å; E169-K190 HydrophobicContact CG-CD 3.73Å; E169-K190 WeakPolarHBondContact OE1-CD 3.24Å; E169-K190 WeakPolarHBondContact OE1-CE 3.42Å; E169-K190 IonicContact OE1-NZ 3.83Å; E169-K190 PolarHBondContact OE1-NZ 3.41Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 PolarHBondContact O-N 3.44Å; M187-K190 WeakPolarHBondContact O-CB 3.35Å; M187-K190 PolarHBondContact O-N 3.26Å; V188-K190 VanDerWaalsContact C-N 3.31Å; V188-K190 PolarHBondContact O-N 2.9Å; K190-N193 PolarHBondContact O-N 3.36Å; K190-L194 HydrophobicContact CG-CD1 4.25Å; K190-L194 VanDerWaalsContact O-CG 3.29Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.68Å
191L90.3Very high87.8Confident0 Ų054.1 Ų54.10%031%0.312CS..Hα-helixtrans-62.1-41.5175.7-69.4171.5000111.9L130 L133 M164 L167 M187 V188 L194 S195 I200 W202L130-L191 HydrophobicContact CD1-CD1 3.64Å; L133-L191 HydrophobicContact CD2-CD1 4.3Å; M164-L191 HydrophobicContact SD-CD1 4.32Å; L167-L191 HydrophobicContact CD1-CD2 3.66Å; L167-L191 HydrophobicContact CD1-CG 4.44Å; M187-L191 HydrophobicContact CG-CD1 4.44Å; M187-L191 VanDerWaalsContact O-CG 3.31Å; M187-L191 WeakPolarHBondContact O-CG 3.45Å; M187-L191 PolarHBondContact O-N 2.83Å; V188-L191 WeakPolarHBondContact O-CB 3.34Å; V188-L191 PolarHBondContact O-N 3.22Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-S195 WeakPolarHBondContact O-CB 3.4Å; L191-S195 PolarHBondContact O-N 3.45Å; L191-S195 PolarHBondContact O-OG 3.47Å; L191-I200 HydrophobicContact CB-CD1 3.94Å; L191-I200 HydrophobicContact CB-CG1 4.21Å; L191-I200 HydrophobicContact CB-CG2 3.91Å; L191-I200 HydrophobicContact CD1-CD1 4.46Å; L191-W202 HydrophobicContact CD2-CD2 3.69Å; L191-W202 HydrophobicContact CD2-CE3 3.21Å; L191-W202 HydrophobicContact CD2-CG 4.34Å; L191-W202 HydrophobicContact CD2-CH2 4.14Å; L191-W202 HydrophobicContact CD2-CZ3 3.46Å; L191-W202 VanDerWaalsContact CD2-CZ3 3.46Å
192Q89.6Confident87.3Confident70 Ų7054.9 Ų54.933%0.32731%0.314SS..Hα-helixtrans-64.4-46174.5-70.3173.5-43.600111.8V188 A189 L194 S195 G196 P198 I200V188-Q192 WeakPolarHBondContact O-CG 3.37Å; V188-Q192 PolarHBondContact O-N 2.82Å; A189-Q192 PolarHBondContact O-N 2.95Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.01Å; Q192-S195 WeakPolarHBondContact O-CA 3.42Å; Q192-S195 WeakPolarHBondContact O-CB 3.49Å; Q192-S195 PolarHBondContact O-N 2.76Å; Q192-G196 PolarHBondContact O-N 2.92Å; Q192-P198 PolarHBondContact NE2-O 3.19Å; Q192-P198 VanDerWaalsContact NE2-O 3.13Å; Q192-I200 HydrophobicContact CG-CD1 3.98Å; Q192-I200 HydrophobicContact CG-CG1 3.6Å
193N89Confident86.6Confident135 Ų13558.6 Ų58.672%0.72233%0.334SS*.Hα-helixtrans-59.9-39.7176.5-73.3-29.2000112.5A189 K190 S195 G196A189-N193 WeakPolarHBondContact O-CB 3.36Å; A189-N193 PolarHBondContact O-N 3.27Å; A189-N193 PolarHBondContact O-ND2 3.02Å; K190-N193 PolarHBondContact O-N 3.36Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.88Å; N193-G196 PolarHBondContact O-N 3.33Å
194L85.9Confident85.8Confident92 Ų9259.7 Ų59.748%0.48234%0.342SS..Hα-helixtrans-71.8-21.1174.9-67.9169.8000113.4L167 K190 L191 Q192 W202L167-L194 HydrophobicContact CD1-CD1 3.71Å; L167-L194 HydrophobicContact CD2-CD1 3.94Å; K190-L194 HydrophobicContact CG-CD1 4.25Å; K190-L194 VanDerWaalsContact O-CG 3.29Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.68Å; L191-L194 PolarHBondContact O-N 3.25Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.01Å; L194-W202 HydrophobicContact CB-CB 4.39Å; L194-W202 HydrophobicContact CB-CG 4.12Å
195S84.6Confident84.9Confident20 Ų2067 Ų6714%0.1437%0.373CS..Hα-helixtrans-83.4-20.2175.6-56.40000112.7L191 Q192 N193 C197 E199 I200 T201 W202L191-S195 WeakPolarHBondContact O-CB 3.4Å; L191-S195 PolarHBondContact O-N 3.45Å; L191-S195 PolarHBondContact O-OG 3.47Å; Q192-S195 WeakPolarHBondContact O-CA 3.42Å; Q192-S195 WeakPolarHBondContact O-CB 3.49Å; Q192-S195 PolarHBondContact O-N 2.76Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.88Å; S195-C197 PolarHBondContact O-N 3.43Å; S195-E199 WeakPolarHBondContact CB-O 3.42Å; S195-I200 WeakPolarHBondContact OG-CA 3.48Å; S195-T201 WeakPolarHBondContact CB-OG1 3.46Å; S195-T201 PolarHBondContact OG-N 3.46Å; S195-T201 VanDerWaalsContact OG-N 3.1Å; S195-W202 WeakPolarHBondContact OG-CB 3.29Å; S195-W202 PolarHBondContact OG-N 3.17Å
196G79.1Confident84.1Confident72 Ų7266.4 Ų66.474%0.74238%0.376SS*.THydrogen-bonded Turntrans72.33.3-177.100000114.9Q192 N193Q192-G196 PolarHBondContact O-N 2.92Å; N193-G196 PolarHBondContact O-N 3.33Å
197C72.6Confident83.6Confident52 Ų5263.4 Ų63.435%0.35137%0.368SS..SBendtrans-149.7164.5-177.563.40000110.4S195 E199S195-C197 PolarHBondContact O-N 3.43Å; C197-E199 PolarHBondContact O-N 2.93Å; C197-E199 PolarHBondContact SG-O 3.21Å
198P72.5Confident83.2Confident114 Ų11463.9 Ų63.974%0.7437%0.37SS*.SBendtrans-68.4-20.4-177.926.2-35.2000113.9Q192Q192-P198 PolarHBondContact NE2-O 3.19Å; Q192-P198 VanDerWaalsContact NE2-O 3.13Å
199E80.4Confident82.9Confident136 Ų13667.8 Ų67.864%0.63638%0.382SS*.SBendtrans-83.5130.7171.4-173.6174.3177.300110.1S195 C197 T201S195-E199 WeakPolarHBondContact CB-O 3.42Å; C197-E199 PolarHBondContact O-N 2.93Å; C197-E199 PolarHBondContact SG-O 3.21Å; E199-T201 PolarHBondContact O-N 3.38Å
200I80.8Confident82.6Confident20 Ų2067 Ų6710%0.10337%0.373CS..  trans-79.999.3-178.7-61.2168.4000109.3L133 R137 W139 V188 L191 Q192 S195 W202L133-I200 HydrophobicContact CD2-CB 4.31Å; L133-I200 HydrophobicContact CD2-CD1 3.53Å; L133-I200 HydrophobicContact CD2-CG2 4.2Å; R137-I200 PolarHBondContact NH2-O 3.48Å; W139-I200 HydrophobicContact CH2-CG2 4.13Å; V188-I200 HydrophobicContact CG1-CD1 4.25Å; L191-I200 HydrophobicContact CB-CD1 3.94Å; L191-I200 HydrophobicContact CB-CG1 4.21Å; L191-I200 HydrophobicContact CB-CG2 3.91Å; L191-I200 HydrophobicContact CD1-CD1 4.46Å; Q192-I200 HydrophobicContact CG-CD1 3.98Å; Q192-I200 HydrophobicContact CG-CG1 3.6Å; S195-I200 WeakPolarHBondContact OG-CA 3.48Å; I200-W202 HydrophobicContact CG2-CB 4.4Å
201T80.4Confident82.2Confident77 Ų7769.8 Ų69.847%0.47239%0.387SS..  trans-98.7-14.5174.660.80000112.5S195 E199 T203S195-T201 WeakPolarHBondContact CB-OG1 3.46Å; S195-T201 PolarHBondContact OG-N 3.46Å; S195-T201 VanDerWaalsContact OG-N 3.1Å; E199-T201 PolarHBondContact O-N 3.38Å; T201-T203 PolarHBondContact O-N 2.97Å
202W84.2Confident82Confident37 Ų3773.6 Ų73.614%0.1441%0.407CS..  trans-51.3132.2174.1178.384.2000111.1W139 E165 L167 L191 L194 S195 I200 P204W139-W202 HydrophobicContact CH2-CE3 4.12Å; W139-W202 WeakPolarHBondContact CH2-O 3.44Å; W139-W202 HydrophobicContact CZ2-CE3 4.4Å; W139-W202 WeakPolarHBondContact CZ2-O 3.31Å; W139-W202 HydrophobicContact CZ3-CE3 4.47Å; E165-W202 HydrophobicContact CB-CH2 4.24Å; L167-W202 HydrophobicContact CD1-CH2 3.8Å; L167-W202 HydrophobicContact CD1-CZ2 3.67Å; L167-W202 HydrophobicContact CD1-CZ3 4.42Å; L167-W202 HydrophobicContact CD2-CZ2 4.36Å; L167-W202 HydrophobicContact CG-CH2 4.07Å; L167-W202 HydrophobicContact CG-CZ2 3.88Å; L191-W202 HydrophobicContact CD2-CD2 3.69Å; L191-W202 HydrophobicContact CD2-CE3 3.21Å; L191-W202 HydrophobicContact CD2-CG 4.34Å; L191-W202 HydrophobicContact CD2-CH2 4.14Å; L191-W202 HydrophobicContact CD2-CZ3 3.46Å; L191-W202 VanDerWaalsContact CD2-CZ3 3.46Å; L194-W202 HydrophobicContact CB-CB 4.39Å; L194-W202 HydrophobicContact CB-CG 4.12Å; S195-W202 WeakPolarHBondContact OG-CB 3.29Å; S195-W202 PolarHBondContact OG-N 3.17Å; I200-W202 HydrophobicContact CG2-CB 4.4Å; W202-P204 HydrophobicContact CH2-CB 3.58Å; W202-P204 HydrophobicContact CH2-CG 4.41Å; W202-P204 HydrophobicContact CZ2-CB 4.19Å; W202-P204 HydrophobicContact CZ3-CB 3.86Å; W202-P204 HydrophobicContact CZ3-CG 4.2Å
203T80.1Confident81.8Confident101 Ų10170.3 Ų70.362%0.6239%0.392SS*.  trans-114.8139.3169.649.20000109.4T201T201-T203 PolarHBondContact O-N 2.97Å
204P79.4Confident81.5Confident23 Ų2368.2 Ų68.215%0.14937%0.373CS..PPolyproline II helixtrans-65.4139.7171.327.4-32.1000109.7W139 E165 W202W139-P204 HydrophobicContact CD2-CG 4.41Å; W139-P204 VanDerWaalsContact CE2-CD 3.45Å; W139-P204 HydrophobicContact CG-CG 4.09Å; E165-P204 HydrophobicContact CB-CB 3.89Å; E165-P204 HydrophobicContact CG-CB 3.66Å; E165-P204 HydrophobicContact CG-CG 4.05Å; W202-P204 HydrophobicContact CH2-CB 3.58Å; W202-P204 HydrophobicContact CH2-CG 4.41Å; W202-P204 HydrophobicContact CZ2-CB 4.19Å; W202-P204 HydrophobicContact CZ3-CB 3.86Å; W202-P204 HydrophobicContact CZ3-CG 4.2Å
205K75.3Confident81.3Confident154 Ų15469.5 Ų69.567%0.6738%0.381SS*.PPolyproline II helixtrans-56.9134.1163.2-72.8-164.1171.2-160.50108.6S207K205-S207 PolarHBondContact O-N 2.89Å
206P78.4Confident81.4Confident63 Ų6369.6 Ų69.641%0.40938%0.382SS..PPolyproline II helixtrans-53.5131.3175.2-21.932.4000108.7E250 S272P206-E250 HydrophobicContact CB-CB 4.25Å; P206-E250 HydrophobicContact CG-CB 4.23Å; P206-S272 WeakPolarHBondContact O-CB 3.47Å; P206-S272 PolarHBondContact O-OG 3.36Å
207S82.9Confident81.7Confident37 Ų3771.7 Ų71.726%0.25939%0.385SS..  trans-157.5127.3-178.8-178.70000112.6R140 K205 G248 S272R140-S207 PolarHBondContact NH1-O 2.8Å; R140-S207 PolarHBondContact NH2-O 3.12Å; K205-S207 PolarHBondContact O-N 2.89Å; S207-G248 PolarHBondContact N-O 2.83Å; S207-S272 WeakPolarHBondContact CA-O 3.41Å; S207-S272 WeakPolarHBondContact CB-O 3.48Å; S207-S272 PolarHBondContact OG-O 3.15Å
208V86.8Confident82.5Confident9 Ų970.7 Ų70.76%0.05538%0.381CS..  trans-115140.1-177.874.40000110.7N212 L213 F249 T273 S274V208-N212 HydrophobicContact CG2-CB 3.93Å; V208-L213 HydrophobicContact CG1-CD1 3.9Å; V208-L213 HydrophobicContact CG1-CD2 3.9Å; V208-L213 HydrophobicContact CG1-CG 3.88Å; V208-L213 HydrophobicContact CG2-CD2 4.02Å; V208-L213 HydrophobicContact CG2-CG 4.26Å; V208-F249 HydrophobicContact CB-CB 4.17Å; V208-F249 HydrophobicContact CB-CD1 4.49Å; V208-F249 HydrophobicContact CG1-CB 3.71Å; V208-F249 HydrophobicContact CG1-CD1 3.66Å; V208-F249 HydrophobicContact CG1-CG 3.89Å; V208-T273 HydrophobicContact CG1-CG2 3.83Å; V208-T273 CarbonylContact O-C 3.6Å; V208-T273 WeakPolarHBondContact O-CA 3.42Å; V208-S274 PolarHBondContact O-N 3.33Å
209R85.9Confident83.4Confident108 Ų10871.8 Ų71.841%0.40838%0.376SS..BIsolated β-bridgetrans-69.7135.2166.9-77.1-177.2175.9145.8-0.4108.6R163 E211 N212R163-R209 VanDerWaalsContact NH2-NH2 3.12Å; R209-E211 PolarHBondContact O-N 3.38Å; R209-E211 VanDerWaalsContact O-N 3.14Å; R209-N212 WeakPolarHBondContact O-CB 3.35Å; R209-N212 PolarHBondContact O-N 2.72Å
210L84.6Confident84Confident25 Ų2568.6 Ų68.613%0.13136%0.36CS..Hα-helixtrans-57-32.3-180-175.658.1000112N212 L213 R214 S274 Y300 M304L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.67Å; L210-L213 HydrophobicContact CD1-CD1 4.08Å; L210-L213 WeakPolarHBondContact O-CB 3.25Å; L210-L213 PolarHBondContact O-N 3.28Å; L210-R214 PolarHBondContact O-N 3.06Å; L210-S274 PolarHBondContact N-O 3Å; L210-Y300 HydrophobicContact CD1-CE1 4.08Å; L210-Y300 HydrophobicContact CD2-CE1 3.9Å; L210-Y300 WeakPolarHBondContact CD2-OH 3.35Å; L210-M304 HydrophobicContact CD1-CB 4.21Å; L210-M304 HydrophobicContact CD1-CG 4.43Å; L210-M304 HydrophobicContact CD2-CG 4.17Å; L210-M304 HydrophobicContact CG-CB 4.46Å
211E83.5Confident84.4Confident121 Ų12167.7 Ų67.757%0.56536%0.355SS*.Hα-helixtrans-62.2-30.5173.3-58.9-175.8151.100114.3R209 R214 N215R209-E211 PolarHBondContact O-N 3.38Å; R209-E211 VanDerWaalsContact O-N 3.14Å; E211-R214 PolarHBondContact O-N 2.99Å; E211-N215 PolarHBondContact O-N 3.13Å
212N86.1Confident84.9Confident80 Ų8066 Ų6643%0.42835%0.347SS..Hα-helixtrans-70.6-37.4177.1-67.36.2000110.4V208 R209 L210 R214 N215 S216V208-N212 HydrophobicContact CG2-CB 3.93Å; R209-N212 WeakPolarHBondContact O-CB 3.35Å; R209-N212 PolarHBondContact O-N 2.72Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.67Å; N212-R214 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-N215 PolarHBondContact O-N 3.42Å; N212-S216 WeakPolarHBondContact O-CB 3.18Å; N212-S216 PolarHBondContact O-N 2.82Å
213L85.1Confident85.2Confident1 Ų167.5 Ų67.51%0.00536%0.357CS..Hα-helixtrans-60.2-42.6174.8-60.8-178.5000110.8V208 L210 N215 S216 Q247 F249 T273 I301V208-L213 HydrophobicContact CG1-CD1 3.9Å; V208-L213 HydrophobicContact CG1-CD2 3.9Å; V208-L213 HydrophobicContact CG1-CG 3.88Å; V208-L213 HydrophobicContact CG2-CD2 4.02Å; V208-L213 HydrophobicContact CG2-CG 4.26Å; L210-L213 HydrophobicContact CD1-CD1 4.08Å; L210-L213 WeakPolarHBondContact O-CB 3.25Å; L210-L213 PolarHBondContact O-N 3.28Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.28Å; L213-S216 WeakPolarHBondContact O-CB 3.21Å; L213-S216 PolarHBondContact O-N 3.46Å; L213-Q247 HydrophobicContact CD2-CB 3.48Å; L213-Q247 VanDerWaalsContact CD2-CB 3.48Å; L213-Q247 HydrophobicContact CD2-CG 3.66Å; L213-F249 HydrophobicContact CD1-CE1 4.25Å; L213-F249 HydrophobicContact CD2-CD1 4.26Å; L213-F249 HydrophobicContact CD2-CE1 4.04Å; L213-T273 HydrophobicContact CD1-CG2 4.15Å; L213-I301 HydrophobicContact CB-CG2 4.36Å; L213-I301 HydrophobicContact CD1-CG1 4.46Å; L213-I301 HydrophobicContact CD1-CG2 4.08Å
214R81.9Confident85.6Confident90 Ų9063 Ų6334%0.3433%0.329SS..Hα-helixtrans-58-40.6175.3177.2-17762.6-176.6-7.8113.1L210 E211 N212 I307L210-R214 PolarHBondContact O-N 3.06Å; E211-R214 PolarHBondContact O-N 2.99Å; N212-R214 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.94Å; R214-I307 VanDerWaalsContact CD-O 3.24Å; R214-I307 WeakPolarHBondContact CD-O 3.45Å
215N82.4Confident86.1Confident119 Ų11966 Ų6664%0.63634%0.337SS*.Hα-helixtrans-89.5-2.5-176.8-65.5-19.1000113.7E211 N212 L213 S217E211-N215 PolarHBondContact O-N 3.13Å; N212-N215 PolarHBondContact O-N 3.42Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.28Å; N215-S217 PolarHBondContact O-N 3.4Å
216S86.8Confident86.7Confident23 Ų2368 Ų6816%0.16134%0.341CS..  trans-73.8124.7-172.3-174.70000112.4N212 L213 R225 Q247N212-S216 WeakPolarHBondContact O-CB 3.18Å; N212-S216 PolarHBondContact O-N 2.82Å; L213-S216 WeakPolarHBondContact O-CB 3.21Å; L213-S216 PolarHBondContact O-N 3.46Å; S216-R225 PolarHBondContact O-NH2 2.85Å; S216-Q247 VanDerWaalsContact OG-CD 3.26Å; S216-Q247 PolarHBondContact OG-NE2 3.13Å; S216-Q247 PolarHBondContact OG-OE1 3.32Å
217S85.6Confident87Confident116 Ų11668.6 Ų68.681%0.81134%0.341SS*.  trans-94.28.2179.1650000114N215N215-S217 PolarHBondContact O-N 3.4Å
218A89.5Confident87.2Confident31 Ų3170.7 Ų70.726%0.25635%0.353SS..  trans-71.5167.9-175.600000113S222 E246A218-S222 WeakPolarHBondContact O-CB 3.47Å; A218-S222 PolarHBondContact O-N 3.5Å; A218-E246 HydrophobicContact CB-CG 3.78Å; A218-E246 WeakPolarHBondContact CB-OE1 3.18Å; A218-E246 VanDerWaalsContact CB-OE2 3.32Å; A218-E246 WeakPolarHBondContact CB-OE2 3.4Å
219E91.9Very high87.1Confident136 Ų13671.1 Ų71.164%0.63636%0.355SS*.Hα-helixtrans-70.2-50.9-164.9-173178.4-170.600112.5M221 S222 L223 E246E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 3.42Å; E219-S222 WeakPolarHBondContact O-CB 3.45Å; E219-S222 PolarHBondContact O-N 2.92Å; E219-S222 VanDerWaalsContact O-N 3.07Å; E219-L223 HydrophobicContact CG-CD1 4.08Å; E219-L223 HydrophobicContact CG-CG 4.48Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.08Å; E219-E246 PolarHBondContact N-OE1 3.05Å
220K91.4Very high86.8Confident70 Ų7071.2 Ų71.230%0.30437%0.372SS..Hα-helixtrans-63.9-38.3179-51.6-66.5177.21700110.5S222 L223 L224 E242 L243 E246K220-S222 PolarHBondContact O-N 2.92Å; K220-L223 HydrophobicContact CD-CD1 4.39Å; K220-L223 PolarHBondContact O-N 3.2Å; K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.49Å; K220-E242 HydrophobicContact CD-CB 4.27Å; K220-E242 WeakPolarHBondContact CE-OE2 3.41Å; K220-E242 HydrophobicContact CG-CB 4.48Å; K220-E242 IonicContact NZ-OE2 2.66Å; K220-E242 PolarHBondContact NZ-OE2 3.41Å; K220-L243 HydrophobicContact CB-CD1 3.86Å; K220-E246 VanDerWaalsContact CB-OE2 3.31Å; K220-E246 WeakPolarHBondContact CB-OE2 3.48Å; K220-E246 HydrophobicContact CG-CB 4.32Å; K220-E246 WeakPolarHBondContact CG-OE1 3.37Å; K220-E246 PolarHBondContact N-OE1 3.1Å; K220-E246 PolarHBondContact N-OE2 2.97Å
221M91Very high86.5Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-58.6-43169.6-103.1-68.9110.800113.7E219 L224 R225 L243 E246 Q247 I301 A305E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 3.42Å; M221-L224 HydrophobicContact CE-CD2 3.54Å; M221-R225 WeakPolarHBondContact O-CG 3.22Å; M221-R225 PolarHBondContact O-N 3.26Å; M221-R225 VanDerWaalsContact O-N 3.17Å; M221-R225 PolarHBondContact O-NE 3.45Å; M221-L243 HydrophobicContact CE-CD1 3.57Å; M221-L243 HydrophobicContact CE-CD2 3.81Å; M221-L243 HydrophobicContact CE-CG 4.19Å; M221-L243 HydrophobicContact CG-CD1 4.05Å; M221-E246 PolarHBondContact N-OE2 3.01Å; M221-Q247 HydrophobicContact CG-CG 4.14Å; M221-I301 HydrophobicContact CE-CG2 3.43Å; M221-I301 VanDerWaalsContact CE-CG2 3.43Å; M221-A305 HydrophobicContact SD-CB 4.34Å
222S90.1Very high86Confident43 Ų4373.3 Ų73.330%0.30139%0.392SS..Hα-helixtrans-68-41.5177-167.60000112.3A218 E219 K220 R225 R226A218-S222 WeakPolarHBondContact O-CB 3.47Å; A218-S222 PolarHBondContact O-N 3.5Å; E219-S222 WeakPolarHBondContact O-CB 3.45Å; E219-S222 PolarHBondContact O-N 2.92Å; E219-S222 VanDerWaalsContact O-N 3.07Å; K220-S222 PolarHBondContact O-N 2.92Å; S222-R225 PolarHBondContact O-N 3.44Å; S222-R226 WeakPolarHBondContact O-CB 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.41Å; S222-R226 PolarHBondContact O-N 2.84Å
223L89.9Confident85.5Confident68 Ų6877.8 Ų77.836%0.35642%0.417SS..Hα-helixtrans-62.4-45.3175.3-71.8169.3000111.6E219 K220 R225 R226 N227E219-L223 HydrophobicContact CG-CD1 4.08Å; E219-L223 HydrophobicContact CG-CG 4.48Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.08Å; K220-L223 HydrophobicContact CD-CD1 4.39Å; K220-L223 PolarHBondContact O-N 3.2Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 2.88Å; L223-R226 PolarHBondContact O-N 3.21Å; L223-N227 WeakPolarHBondContact O-CB 3.27Å; L223-N227 PolarHBondContact O-N 3.35Å; L223-N227 PolarHBondContact O-ND2 2.94Å
224L90.1Very high85.7Confident7 Ų779 Ų794%0.03742%0.424CS..Hα-helixtrans-58.4-45.4175.9-177.466.1000111.5K220 M221 R226 L229 L243 L298 I301 K302K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.49Å; M221-L224 HydrophobicContact CE-CD2 3.54Å; L224-R226 PolarHBondContact O-N 2.98Å; L224-L229 HydrophobicContact CD1-CD1 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.83Å; L224-L229 HydrophobicContact CD1-CG 4.23Å; L224-L243 HydrophobicContact CD2-CD2 3.92Å; L224-L298 HydrophobicContact CD1-CB 4.17Å; L224-L298 HydrophobicContact CD1-CD2 4.02Å; L224-L298 HydrophobicContact CD2-CD2 4.38Å; L224-I301 HydrophobicContact CD2-CB 4.36Å; L224-I301 HydrophobicContact CD2-CG2 4.31Å; L224-K302 HydrophobicContact CD1-CB 4.45Å; L224-K302 HydrophobicContact CD2-CB 4.13Å; L224-K302 HydrophobicContact CG-CB 4.05Å; L224-K302 HydrophobicContact CG-CG 4.44Å; L224-K302 VanDerWaalsContact O-CD 3.31Å; L224-K302 WeakPolarHBondContact O-CD 3.28Å; L224-K302 VanDerWaalsContact O-CE 3.28Å; L224-K302 WeakPolarHBondContact O-CE 3.37Å; L224-K302 PolarHBondContact O-NZ 3.29Å
225R88.6Confident86.2Confident85 Ų8579.1 Ų79.132%0.32143%0.431SS..Hα-helixtrans-61.8-43.8177.4-76.2-175.1-87.1109.4-7.5111.6S216 M221 S222 L223 K302 A305S216-R225 PolarHBondContact O-NH2 2.85Å; M221-R225 WeakPolarHBondContact O-CG 3.22Å; M221-R225 PolarHBondContact O-N 3.26Å; M221-R225 VanDerWaalsContact O-N 3.17Å; M221-R225 PolarHBondContact O-NE 3.45Å; S222-R225 PolarHBondContact O-N 3.44Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 2.88Å; R225-K302 WeakPolarHBondContact O-CE 3.44Å; R225-K302 PolarHBondContact O-NZ 3.18Å; R225-A305 HydrophobicContact CG-CB 4.36Å
226R87.4Confident86.8Confident195 Ų19574.4 Ų74.474%0.73641%0.405SS*.Hα-helixtrans-74.5-41.7-177.2-73171.757.987.21.3114.8S222 L223 L224S222-R226 WeakPolarHBondContact O-CB 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.41Å; S222-R226 PolarHBondContact O-N 2.84Å; L223-R226 PolarHBondContact O-N 3.21Å; L224-R226 PolarHBondContact O-N 2.98Å
227N85.7Confident87.2Confident77 Ų7775.8 Ų75.841%0.41241%0.41SS..SBendtrans-92.5139.7-167.8-63.7-25.8000112.2L223 K302L223-N227 WeakPolarHBondContact O-CB 3.27Å; L223-N227 PolarHBondContact O-N 3.35Å; L223-N227 PolarHBondContact O-ND2 2.94Å; N227-K302 PolarHBondContact O-NZ 3.27Å
228P86.3Confident87.6Confident81 Ų8174.4 Ų74.453%0.52639%0.391SS..  trans-68.3140.9173.829.6-34.1000110.6S230 I231P228-S230 PolarHBondContact O-N 3.05Å; P228-I231 WeakPolarHBondContact O-CD1 3.37Å
229L86.2Confident87.9Confident17 Ų1776.2 Ų76.29%0.08939%0.394CS..SBendtrans-86.125.6173.6-67.9170.5000111.7L224 Y236 M239 H295 L298 Q299 K302L224-L229 HydrophobicContact CD1-CD1 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.83Å; L224-L229 HydrophobicContact CD1-CG 4.23Å; L229-Y236 HydrophobicContact CD2-CD1 4.4Å; L229-Y236 HydrophobicContact CD2-CE1 4.12Å; L229-Y236 PolarHBondContact O-OH 3.27Å; L229-Y236 VanDerWaalsContact O-OH 3.04Å; L229-M239 HydrophobicContact CD2-SD 4.03Å; L229-H295 PolarHBondContact O-NE2 3.07Å; L229-L298 HydrophobicContact CD1-CB 3.88Å; L229-L298 HydrophobicContact CD2-CB 4.23Å; L229-L298 HydrophobicContact CD2-CD1 4.36Å; L229-Q299 HydrophobicContact CD1-CB 4.36Å; L229-Q299 HydrophobicContact CD1-CG 3.77Å; L229-K302 HydrophobicContact CD1-CD 4.27Å
230S79.8Confident88Confident110 Ų11069.7 Ų69.777%0.76936%0.364SS*.  trans-106.728-175.9-51.60000112.1P228P228-S230 PolarHBondContact O-N 3.05Å
231I77Confident88.2Confident84 Ų8470.3 Ų70.343%0.43137%0.37SS..  trans-93115.8-171.3-57.3170.7000108.7P228 T234 Y236P228-I231 WeakPolarHBondContact O-CD1 3.37Å; I231-T234 VanDerWaalsContact CB-OG1 3.26Å; I231-T234 WeakPolarHBondContact CB-OG1 3.35Å; I231-T234 VanDerWaalsContact CG2-OG1 3.28Å; I231-T234 WeakPolarHBondContact CG2-OG1 3.35Å; I231-T234 PolarHBondContact O-OG1 2.68Å; I231-Y236 PolarHBondContact N-OH 3.44Å; I231-Y236 PolarHBondContact O-OH 2.99Å
232P72.9Confident88.3Confident106 Ų10673.6 Ų73.669%0.68839%0.386SS*.THydrogen-bonded Turntrans-64.8149.4-179.827.6-34.5000111.2T234P232-T234 PolarHBondContact O-N 2.79Å
233N76.4Confident88.5Confident175 Ų17571.7 Ų71.794%0.93637%0.372SS*.THydrogen-bonded Turntrans58.927.1-179.1-51.2-33.8000114.9
234T88Confident88.7Confident26 Ų2668.6 Ų68.616%0.1636%0.356CS..  trans-82.8134.9172.3-53.70000110.9I231 P232 Y236 M239 N291I231-T234 VanDerWaalsContact CB-OG1 3.26Å; I231-T234 WeakPolarHBondContact CB-OG1 3.35Å; I231-T234 VanDerWaalsContact CG2-OG1 3.28Å; I231-T234 WeakPolarHBondContact CG2-OG1 3.35Å; I231-T234 PolarHBondContact O-OG1 2.68Å; P232-T234 PolarHBondContact O-N 2.79Å; T234-Y236 HydrophobicContact CG2-CD1 3.76Å; T234-Y236 HydrophobicContact CG2-CE1 3.57Å; T234-Y236 HydrophobicContact CG2-CG 4.41Å; T234-Y236 PolarHBondContact O-N 3.01Å; T234-M239 HydrophobicContact CG2-CE 4.01Å; T234-N291 PolarHBondContact O-ND2 3.44Å; T234-N291 VanDerWaalsContact O-ND2 3.11Å
235D92.9Very high88.7Confident92 Ų9274 Ų7449%0.49239%0.385SS..  trans-79.993.9165.4-170.4-21.3000109.3I237 Q238 M239D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 WeakPolarHBondContact OD1-CA 3.28Å; D235-I237 WeakPolarHBondContact OD1-CB 3.31Å; D235-I237 PolarHBondContact OD1-N 3.01Å; D235-Q238 HydrophobicContact CB-CB 4.13Å; D235-Q238 PolarHBondContact OD1-N 2.68Å; D235-M239 PolarHBondContact O-N 3.5Å
236Y95.1Very high88.9Confident20 Ų2073 Ų738%0.07838%0.384CS..Hα-helixtrans-74.8-23.8176.5-63.4-59.7000111.6L229 I231 T234 M239 M240 N291 H295 L298L229-Y236 HydrophobicContact CD2-CD1 4.4Å; L229-Y236 HydrophobicContact CD2-CE1 4.12Å; L229-Y236 PolarHBondContact O-OH 3.27Å; L229-Y236 VanDerWaalsContact O-OH 3.04Å; I231-Y236 PolarHBondContact N-OH 3.44Å; I231-Y236 PolarHBondContact O-OH 2.99Å; T234-Y236 HydrophobicContact CG2-CD1 3.76Å; T234-Y236 HydrophobicContact CG2-CE1 3.57Å; T234-Y236 HydrophobicContact CG2-CG 4.41Å; T234-Y236 PolarHBondContact O-N 3.01Å; Y236-M239 PolarHBondContact O-N 2.87Å; Y236-M240 WeakPolarHBondContact O-CB 3.38Å; Y236-M240 PolarHBondContact O-N 3.24Å; Y236-N291 WeakPolarHBondContact CB-OD1 3.44Å; Y236-N291 WeakPolarHBondContact CD2-ND2 3.39Å; Y236-N291 PolarHBondContact N-OD1 2.88Å; Y236-H295 AromaticContact CD1-CD2 3.87Å; Y236-H295 HydrophobicContact CD2-CB 3.69Å; Y236-H295 AromaticContact CD2-CD2 3.71Å; Y236-H295 AromaticContact CD2-CG 3.99Å; Y236-H295 AromaticContact CE1-CD2 3.59Å; Y236-H295 HydrophobicContact CE2-CB 4.18Å; Y236-H295 AromaticContact CE2-CD2 3.42Å; Y236-H295 VanDerWaalsContact CE2-CD2 3.42Å; Y236-H295 WeakPolarHBondContact CE2-CD2 3.38Å; Y236-H295 AromaticContact CE2-CG 3.97Å; Y236-H295 AromaticContact CE2-NE2 3.99Å; Y236-H295 HydrophobicContact CG-CB 3.98Å; Y236-H295 AromaticContact CG-CD2 3.94Å; Y236-H295 AromaticContact CZ-CD2 3.36Å; Y236-H295 AromaticContact CZ-NE2 3.75Å; Y236-L298 HydrophobicContact CD1-CD1 3.94Å; Y236-L298 HydrophobicContact CG-CD1 4.38Å
237I95.3Very high89Confident53 Ų5365 Ų6527%0.27236%0.355SS..Hα-helixtrans-65.2-48.3175.7-52.7175.2000109.2D235 M240 L241 Y253 H290 N291 A294D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 WeakPolarHBondContact OD1-CA 3.28Å; D235-I237 WeakPolarHBondContact OD1-CB 3.31Å; D235-I237 PolarHBondContact OD1-N 3.01Å; I237-M240 PolarHBondContact O-N 3.43Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 PolarHBondContact O-N 3.45Å; I237-Y253 HydrophobicContact CG2-CE2 4.19Å; I237-H290 HydrophobicContact CD1-CB 3.69Å; I237-H290 HydrophobicContact CG1-CB 4.5Å; I237-N291 HydrophobicContact CD1-CB 4.33Å; I237-N291 HydrophobicContact CG1-CB 4.28Å; I237-A294 HydrophobicContact CG1-CB 4.08Å
238Q94.8Very high89.1Confident86 Ų8663.2 Ų63.240%0.40236%0.355SS..Hα-helixtrans-62.9-43.8175.7178.458.826.700111.9D235 M240 L241 E242D235-Q238 HydrophobicContact CB-CB 4.13Å; D235-Q238 PolarHBondContact OD1-N 2.68Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.37Å; Q238-L241 PolarHBondContact O-N 3.38Å; Q238-E242 PolarHBondContact NE2-OE1 2.92Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.49Å
239M94.3Very high89.4Confident69 Ų6959.7 Ų59.734%0.3433%0.332SS..Hα-helixtrans-61.3-39.4175.4-174.7-180-59.900112L229 T234 D235 Y236 L243 L298L229-M239 HydrophobicContact CD2-SD 4.03Å; T234-M239 HydrophobicContact CG2-CE 4.01Å; D235-M239 PolarHBondContact O-N 3.5Å; Y236-M239 PolarHBondContact O-N 2.87Å; M239-L243 WeakPolarHBondContact O-CB 3.37Å; M239-L243 PolarHBondContact O-N 2.88Å; M239-L243 VanDerWaalsContact O-N 3.1Å; M239-L298 HydrophobicContact CB-CD1 4.07Å; M239-L298 HydrophobicContact CG-CD1 4.01Å; M239-L298 HydrophobicContact CG-CD2 4.35Å; M239-L298 HydrophobicContact SD-CD1 3.87Å
240M95.3Very high89.6Confident0 Ų062.6 Ų62.60%035%0.345CS..Hα-helixtrans-68.7-38.7178.2-171.665-156.900112Y236 I237 Q238 L243 S244 F249 V251 L271 A294 A297 L298 I301Y236-M240 WeakPolarHBondContact O-CB 3.38Å; Y236-M240 PolarHBondContact O-N 3.24Å; I237-M240 PolarHBondContact O-N 3.43Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.37Å; M240-L243 PolarHBondContact O-N 3.17Å; M240-S244 WeakPolarHBondContact O-CB 3.37Å; M240-S244 PolarHBondContact O-N 2.89Å; M240-F249 HydrophobicContact CE-CE2 3.41Å; M240-F249 VanDerWaalsContact CE-CE2 3.41Å; M240-F249 HydrophobicContact CE-CZ 3.57Å; M240-V251 HydrophobicContact CE-CG2 3.52Å; M240-V251 HydrophobicContact CG-CG1 4.39Å; M240-V251 HydrophobicContact CG-CG2 4.1Å; M240-L271 HydrophobicContact CE-CD2 3.59Å; M240-L271 HydrophobicContact CE-CG 3.86Å; M240-A294 HydrophobicContact CB-CB 4.3Å; M240-A297 HydrophobicContact CE-CB 4.26Å; M240-A297 HydrophobicContact SD-CB 4.08Å; M240-L298 HydrophobicContact CB-CD1 4.4Å; M240-L298 HydrophobicContact CB-CD2 4.35Å; M240-L298 HydrophobicContact CB-CG 4.29Å; M240-L298 HydrophobicContact SD-CD2 3.61Å; M240-L298 HydrophobicContact SD-CG 3.76Å; M240-I301 HydrophobicContact CE-CD1 3.79Å; M240-I301 HydrophobicContact SD-CD1 4.23Å
241L94.5Very high90.4Very high82 Ų8258.8 Ų58.843%0.42932%0.317SS..Hα-helixtrans-66.3-44.2174.7179.760.4000112.5I237 Q238 L243 S244 N245I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 PolarHBondContact O-N 3.45Å; Q238-L241 PolarHBondContact O-N 3.38Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.84Å; L241-S244 PolarHBondContact O-N 2.97Å; L241-S244 PolarHBondContact O-OG 3.48Å; L241-N245 WeakPolarHBondContact O-CB 3.5Å; L241-N245 PolarHBondContact O-N 3.36Å; L241-N245 PolarHBondContact O-ND2 2.69Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å
242E94.5Very high91.3Very high69 Ų6957.1 Ų57.132%0.32231%0.31SS..Hα-helixtrans-60.6-39.7174.5-73.9178.1-162.400111.6K220 Q238 E246K220-E242 HydrophobicContact CD-CB 4.27Å; K220-E242 WeakPolarHBondContact CE-OE2 3.41Å; K220-E242 HydrophobicContact CG-CB 4.48Å; K220-E242 IonicContact NZ-OE2 2.66Å; K220-E242 PolarHBondContact NZ-OE2 3.41Å; Q238-E242 PolarHBondContact NE2-OE1 2.92Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.49Å; E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.07Å; E242-E246 VanDerWaalsContact O-N 3.09Å
243L93.8Very high92.4Very high3 Ų354.4 Ų54.42%0.01629%0.287CS..Hα-helixtrans-69.6-42.9177.2-173.869000112.4K220 M221 L224 M239 M240 L241 N245 E246 Q247 L298 I301K220-L243 HydrophobicContact CB-CD1 3.86Å; M221-L243 HydrophobicContact CE-CD1 3.57Å; M221-L243 HydrophobicContact CE-CD2 3.81Å; M221-L243 HydrophobicContact CE-CG 4.19Å; M221-L243 HydrophobicContact CG-CD1 4.05Å; L224-L243 HydrophobicContact CD2-CD2 3.92Å; M239-L243 WeakPolarHBondContact O-CB 3.37Å; M239-L243 PolarHBondContact O-N 2.88Å; M239-L243 VanDerWaalsContact O-N 3.1Å; M240-L243 PolarHBondContact O-N 3.17Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.84Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.96Å; L243-E246 PolarHBondContact O-N 3.36Å; L243-Q247 HydrophobicContact CD1-CG 4.06Å; L243-Q247 HydrophobicContact CG-CG 4.36Å; L243-Q247 WeakPolarHBondContact O-CB 3.38Å; L243-Q247 VanDerWaalsContact O-CG 3.22Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3.45Å; L243-L298 HydrophobicContact CD2-CD2 3.72Å; L243-I301 HydrophobicContact CD2-CD1 3.97Å
244S93.5Very high93.4Very high4 Ų450.8 Ų50.83%0.02826%0.263CS..Hα-helixtrans-65.9-39.1-179.278.40000111.4M240 L241 Q247 G248 F249M240-S244 WeakPolarHBondContact O-CB 3.37Å; M240-S244 PolarHBondContact O-N 2.89Å; L241-S244 PolarHBondContact O-N 2.97Å; L241-S244 PolarHBondContact O-OG 3.48Å; S244-Q247 PolarHBondContact O-N 3.4Å; S244-G248 PolarHBondContact O-N 2.78Å; S244-F249 CarbonylContact C-O 3.46Å; S244-F249 VanDerWaalsContact CB-O 3.22Å; S244-F249 WeakPolarHBondContact CB-O 3.44Å; S244-F249 PolarHBondContact O-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.27Å
245N91.4Very high93.8Very high119 Ų11953.3 Ų53.364%0.63628%0.276SS*.Hα-helixtrans-64.4-43.5172.8-71.9-29000112.8L241 L243 Q247L241-N245 WeakPolarHBondContact O-CB 3.5Å; L241-N245 PolarHBondContact O-N 3.36Å; L241-N245 PolarHBondContact O-ND2 2.69Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.96Å; N245-Q247 VanDerWaalsContact C-N 3.32Å; N245-Q247 PolarHBondContact O-N 3.05Å
246E91.8Very high94Very high66 Ų6651.8 Ų51.831%0.30827%0.267SS..Hα-helixtrans-64-37.5177.1-174.9-173.4-112.900112.2A218 E219 K220 M221 E242 L243A218-E246 HydrophobicContact CB-CG 3.78Å; A218-E246 WeakPolarHBondContact CB-OE1 3.18Å; A218-E246 VanDerWaalsContact CB-OE2 3.32Å; A218-E246 WeakPolarHBondContact CB-OE2 3.4Å; E219-E246 PolarHBondContact N-OE1 3.05Å; K220-E246 VanDerWaalsContact CB-OE2 3.31Å; K220-E246 WeakPolarHBondContact CB-OE2 3.48Å; K220-E246 HydrophobicContact CG-CB 4.32Å; K220-E246 WeakPolarHBondContact CG-OE1 3.37Å; K220-E246 PolarHBondContact N-OE1 3.1Å; K220-E246 PolarHBondContact N-OE2 2.97Å; M221-E246 PolarHBondContact N-OE2 3.01Å; E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.07Å; E242-E246 VanDerWaalsContact O-N 3.09Å; L243-E246 PolarHBondContact O-N 3.36Å
247Q90.1Very high93.9Very high25 Ų2558.8 Ų58.812%0.11731%0.305CS..Hα-helixtrans-98.9-3.4-171-58.9-61-44.200114.3L213 S216 M221 L243 S244 N245 F249L213-Q247 HydrophobicContact CD2-CB 3.48Å; L213-Q247 VanDerWaalsContact CD2-CB 3.48Å; L213-Q247 HydrophobicContact CD2-CG 3.66Å; S216-Q247 VanDerWaalsContact OG-CD 3.26Å; S216-Q247 PolarHBondContact OG-NE2 3.13Å; S216-Q247 PolarHBondContact OG-OE1 3.32Å; M221-Q247 HydrophobicContact CG-CG 4.14Å; L243-Q247 HydrophobicContact CD1-CG 4.06Å; L243-Q247 HydrophobicContact CG-CG 4.36Å; L243-Q247 WeakPolarHBondContact O-CB 3.38Å; L243-Q247 VanDerWaalsContact O-CG 3.22Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3.45Å; S244-Q247 PolarHBondContact O-N 3.4Å; N245-Q247 VanDerWaalsContact C-N 3.32Å; N245-Q247 PolarHBondContact O-N 3.05Å; Q247-F249 HydrophobicContact CB-CD1 3.69Å; Q247-F249 HydrophobicContact CB-CE1 3.7Å; Q247-F249 HydrophobicContact CG-CE1 4.33Å
248G87.5Confident93.9Very high41 Ų4163.3 Ų63.342%0.42333%0.326SS..THydrogen-bonded Turntrans74.242.1175.600000114.6S207 S244S207-G248 PolarHBondContact N-O 2.83Å; S244-G248 PolarHBondContact O-N 2.78Å
249F91.7Very high94Very high6 Ų663 Ų633%0.02633%0.326CS..  trans-133.8165.5172.872.5-90.5000112.3V208 L213 M240 S244 Q247 V251 L271 I301V208-F249 HydrophobicContact CB-CB 4.17Å; V208-F249 HydrophobicContact CB-CD1 4.49Å; V208-F249 HydrophobicContact CG1-CB 3.71Å; V208-F249 HydrophobicContact CG1-CD1 3.66Å; V208-F249 HydrophobicContact CG1-CG 3.89Å; L213-F249 HydrophobicContact CD1-CE1 4.25Å; L213-F249 HydrophobicContact CD2-CD1 4.26Å; L213-F249 HydrophobicContact CD2-CE1 4.04Å; M240-F249 HydrophobicContact CE-CE2 3.41Å; M240-F249 VanDerWaalsContact CE-CE2 3.41Å; M240-F249 HydrophobicContact CE-CZ 3.57Å; S244-F249 CarbonylContact C-O 3.46Å; S244-F249 VanDerWaalsContact CB-O 3.22Å; S244-F249 WeakPolarHBondContact CB-O 3.44Å; S244-F249 PolarHBondContact O-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.27Å; Q247-F249 HydrophobicContact CB-CD1 3.69Å; Q247-F249 HydrophobicContact CB-CE1 3.7Å; Q247-F249 HydrophobicContact CG-CE1 4.33Å; F249-V251 HydrophobicContact CD2-CG2 4.1Å; F249-V251 HydrophobicContact CE2-CG2 3.69Å; F249-L271 HydrophobicContact CD2-CB 4.32Å; F249-L271 HydrophobicContact CE2-CB 4.22Å; F249-L271 HydrophobicContact CE2-CD2 4.02Å; F249-L271 HydrophobicContact CE2-CG 4.19Å; F249-I301 HydrophobicContact CZ-CD1 3.93Å
250E92.1Very high94.1Very high79 Ų7961 Ų6137%0.36932%0.318SS..  trans-109.7148.6-176.9-174175-161.200109.4P206 S272P206-E250 HydrophobicContact CB-CB 4.25Å; P206-E250 HydrophobicContact CG-CB 4.23Å; E250-S272 PolarHBondContact N-OG 3.01Å; E250-S272 PolarHBondContact O-N 3.02Å; E250-S272 PolarHBondContact O-OG 2.8Å
251V95.1Very high94Very high29 Ų2968 Ų6818%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-126.7121.8176.7-174.10000108.3M240 F249 Y253 E270M240-V251 HydrophobicContact CE-CG2 3.52Å; M240-V251 HydrophobicContact CG-CG1 4.39Å; M240-V251 HydrophobicContact CG-CG2 4.1Å; F249-V251 HydrophobicContact CD2-CG2 4.1Å; F249-V251 HydrophobicContact CE2-CG2 3.69Å; V251-Y253 HydrophobicContact CG1-CD2 4.42Å; V251-Y253 HydrophobicContact CG1-CE1 4.43Å; V251-Y253 HydrophobicContact CG1-CE2 3.73Å; V251-E270 CarbonylContact C-O 3.16Å; V251-E270 WeakPolarHBondContact CA-O 3.17Å
252T95.9Very high94Very high49 Ų4970.4 Ų70.430%0.30137%0.374SS..EExtended strand (participates in β ladder)trans-115.6131.1178.1-50.40000108.9F254 E270T252-F254 HydrophobicContact CG2-CD2 4.37Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.72Å; T252-F254 HydrophobicContact CG2-CZ 3.5Å; T252-F254 VanDerWaalsContact CG2-CZ 3.5Å; T252-E270 PolarHBondContact N-O 3.4Å; T252-E270 PolarHBondContact O-N 3.21Å
253Y96.9Very high94.1Very high50 Ų5069.2 Ų69.220%0.19638%0.38CS..EExtended strand (participates in β ladder)trans-102132.4176.2-63.2-89000109.8I237 V251 L268 A269 H290 A293 A294I237-Y253 HydrophobicContact CG2-CE2 4.19Å; V251-Y253 HydrophobicContact CG1-CD2 4.42Å; V251-Y253 HydrophobicContact CG1-CE1 4.43Å; V251-Y253 HydrophobicContact CG1-CE2 3.73Å; Y253-L268 CarbonylContact C-O 3.58Å; Y253-L268 WeakPolarHBondContact CA-O 3.42Å; Y253-A269 HydrophobicContact CD1-CB 3.92Å; Y253-A269 HydrophobicContact CE1-CB 3.74Å; Y253-H290 HydrophobicContact CD1-CB 4.33Å; Y253-H290 AromaticContact CG-ND1 3.94Å; Y253-A293 HydrophobicContact CE1-CB 4.49Å; Y253-A294 HydrophobicContact CE1-CB 4.09Å; Y253-A294 VanDerWaalsContact OH-CB 3.31Å; Y253-A294 WeakPolarHBondContact OH-CB 3.28Å
254F97.4Very high94.2Very high99 Ų9971.9 Ų71.943%0.43439%0.393SS..EExtended strand (participates in β ladder)trans-120.7113.7176.6-59.2-82.6000109T252 C267 L268 E270T252-F254 HydrophobicContact CG2-CD2 4.37Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.72Å; T252-F254 HydrophobicContact CG2-CZ 3.5Å; T252-F254 VanDerWaalsContact CG2-CZ 3.5Å; F254-C267 CarbonylContact O-C 3.55Å; F254-C267 WeakPolarHBondContact O-CA 3.35Å; F254-L268 HydrophobicContact CB-CB 4.4Å; F254-L268 PolarHBondContact N-O 2.89Å; F254-L268 PolarHBondContact O-N 2.7Å; F254-E270 HydrophobicContact CD2-CB 4.33Å; F254-E270 HydrophobicContact CE2-CB 3.76Å
255D96.6Very high94.4Very high79 Ų7977.1 Ų77.142%0.42241%0.412SS..EExtended strand (participates in β ladder)trans-71.3142.6170.7-68.1-66.5000110.6C286 H290D255-C286 PolarHBondContact OD1-SG 2.82Å; D255-H290 IonicContact OD1-CD2 3.29Å; D255-H290 PolarHBondContact OD1-CD2 3.38Å; D255-H290 VanDerWaalsContact OD1-CD2 3.29Å; D255-H290 IonicContact OD1-NE2 2.85Å; D255-H290 PolarHBondContact OD1-NE2 2.95Å; D255-H290 IonicContact OD2-CE1 3.67Å; D255-H290 IonicContact OD2-NE2 2.96Å; D255-H290 PolarHBondContact OD2-NE2 3.17Å
256I96.5Very high94.7Very high59 Ų5973 Ų7330%0.30339%0.39SS..EExtended strand (participates in β ladder)trans-104.5119.8171-61.4170000107.2E258 Q266 L268I256-E258 HydrophobicContact CG2-CB 4.26Å; I256-E258 PolarHBondContact O-N 2.92Å; I256-Q266 HydrophobicContact CB-CB 3.91Å; I256-Q266 HydrophobicContact CD1-CB 4.24Å; I256-Q266 HydrophobicContact CG1-CB 4.5Å; I256-Q266 PolarHBondContact N-O 3.4Å; I256-L268 HydrophobicContact CD1-CD1 4.14Å; I256-L268 HydrophobicContact CD1-CD2 4.45Å; I256-L268 HydrophobicContact CD1-CG 3.97Å
257D93.9Very high95Very high167 Ų16769.9 Ų69.989%0.89338%0.375SS*.SBendtrans-61.2-29.5-177.2-66.1-32.7000113.2
258E95.5Very high95.4Very high149 Ų14971.4 Ų71.470%0.69638%0.383SS*.SBendtrans-77.6123.8177-170.3173.8-17300111I256 Q266I256-E258 HydrophobicContact CG2-CB 4.26Å; I256-E258 PolarHBondContact O-N 2.92Å; E258-Q266 PolarHBondContact O-NE2 2.86Å
259L95.9Very high95.9Very high79 Ų7969.4 Ų69.441%0.41436%0.363SS..PPolyproline II helixtrans-71.3153.4173.6-60.1177.5000111.2Q264 Y265L259-Q264 CarbonylContact C-O 3.56Å; L259-Q264 VanDerWaalsContact CA-O 3.3Å; L259-Q264 WeakPolarHBondContact CA-O 3.34Å; L259-Y265 HydrophobicContact CD2-CD1 3.85Å; L259-Y265 HydrophobicContact CD2-CD2 4.26Å; L259-Y265 HydrophobicContact CD2-CE1 4.05Å; L259-Y265 HydrophobicContact CD2-CE2 4.46Å; L259-Y265 HydrophobicContact CD2-CG 3.97Å
260T95.5Very high96.1Very high28 Ų2872.3 Ų72.317%0.17238%0.377CS..PPolyproline II helixtrans-61.1165.9170.872.80000111.4N262 G263 Q264 Q266 T282T260-N262 PolarHBondContact O-N 3.36Å; T260-N262 PolarHBondContact OG1-N 3.41Å; T260-G263 PolarHBondContact O-N 3.37Å; T260-Q264 HydrophobicContact CG2-CB 4.05Å; T260-Q264 PolarHBondContact N-O 3.4Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.47Å; T260-Q264 PolarHBondContact OG1-N 2.94Å; T260-Q264 VanDerWaalsContact OG1-N 3.13Å; T260-Q266 HydrophobicContact CG2-CG 3.44Å; T260-Q266 VanDerWaalsContact CG2-CG 3.44Å; T260-T282 HydrophobicContact CG2-CG2 4.01Å
261V94.6Very high96.2Very high147 Ų14768.6 Ų68.689%0.89136%0.359SS*.THydrogen-bonded Turntrans-54.4-19.8170.6-61.20000114.2
262N94.9Very high96.1Very high131 Ų13168 Ų6870%0.70136%0.357SS*.THydrogen-bonded Turntrans-96.78.5176.5-61.7-28.2000113T260 Q264T260-N262 PolarHBondContact O-N 3.36Å; T260-N262 PolarHBondContact OG1-N 3.41Å; N262-Q264 HydrophobicContact CB-CG 4.38Å
263G94.9Very high95.8Very high45 Ų4565.8 Ų65.846%0.46434%0.343SS..SBendtrans73.921.6-178.600000114.7T260T260-G263 PolarHBondContact O-N 3.37Å
264Q97.1Very high95.3Very high59 Ų5966.3 Ų66.328%0.27635%0.354SS..  trans-92.1145.4-179.5-60.8168.9-57.400111.3L259 T260 N262 G283L259-Q264 CarbonylContact C-O 3.56Å; L259-Q264 VanDerWaalsContact CA-O 3.3Å; L259-Q264 WeakPolarHBondContact CA-O 3.34Å; T260-Q264 HydrophobicContact CG2-CB 4.05Å; T260-Q264 PolarHBondContact N-O 3.4Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.47Å; T260-Q264 PolarHBondContact OG1-N 2.94Å; T260-Q264 VanDerWaalsContact OG1-N 3.13Å; N262-Q264 HydrophobicContact CB-CG 4.38Å; Q264-G283 CarbonylContact C-O 3.55Å; Q264-G283 WeakPolarHBondContact CA-O 3.46Å; Q264-G283 WeakPolarHBondContact CB-O 3.23Å
265Y97.7Very high94.9Very high113 Ų11366.2 Ų66.244%0.44336%0.363SS..EExtended strand (participates in β ladder)trans-66.5152.3168.7-65.8-93.1000110.4L259 T282 G283 S285L259-Y265 HydrophobicContact CD2-CD1 3.85Å; L259-Y265 HydrophobicContact CD2-CD2 4.26Å; L259-Y265 HydrophobicContact CD2-CE1 4.05Å; L259-Y265 HydrophobicContact CD2-CE2 4.46Å; L259-Y265 HydrophobicContact CD2-CG 3.97Å; Y265-T282 CarbonylContact O-C 3.57Å; Y265-T282 VanDerWaalsContact O-CA 3.26Å; Y265-T282 WeakPolarHBondContact O-CA 3.43Å; Y265-G283 PolarHBondContact N-O 2.94Å; Y265-G283 PolarHBondContact O-N 2.92Å; Y265-S285 VanDerWaalsContact CD2-CA 3.41Å
266Q97.9Very high94.6Very high34 Ų3466.8 Ų66.816%0.15937%0.369CS..EExtended strand (participates in β ladder)trans-130.7141.7-174-66.1-165.690.100110.8I256 E258 T260 H280 G281 T282I256-Q266 HydrophobicContact CB-CB 3.91Å; I256-Q266 HydrophobicContact CD1-CB 4.24Å; I256-Q266 HydrophobicContact CG1-CB 4.5Å; I256-Q266 PolarHBondContact N-O 3.4Å; E258-Q266 PolarHBondContact O-NE2 2.86Å; T260-Q266 HydrophobicContact CG2-CG 3.44Å; T260-Q266 VanDerWaalsContact CG2-CG 3.44Å; Q266-H280 PolarHBondContact OE1-NE2 2.81Å; Q266-G281 WeakPolarHBondContact CA-O 3.43Å; Q266-T282 HydrophobicContact CG-CG2 4.46Å
267C97.7Very high94.5Very high0 Ų064.3 Ų64.30%036%0.357CS..EExtended strand (participates in β ladder)trans-140.2147.7179-173.20000110.9F254 H280 G281 A289 H290 A293F254-C267 CarbonylContact O-C 3.55Å; F254-C267 WeakPolarHBondContact O-CA 3.35Å; C267-H280 CarbonylContact O-C 3.53Å; C267-H280 WeakPolarHBondContact O-CA 3.37Å; C267-G281 PolarHBondContact N-O 2.55Å; C267-G281 PolarHBondContact O-N 2.97Å; C267-A289 HydrophobicContact CB-CB 3.9Å; C267-H290 PolarHBondContact SG-CD2 3.49Å; C267-A293 HydrophobicContact CB-CB 4.18Å
268L97.9Very high94.6Very high56 Ų5660.1 Ų60.129%0.29334%0.337SS..EExtended strand (participates in β ladder)trans-114.2122166.9-61.9174.8000109.6Y253 F254 I256 V278 C279 H280Y253-L268 CarbonylContact C-O 3.58Å; Y253-L268 WeakPolarHBondContact CA-O 3.42Å; F254-L268 HydrophobicContact CB-CB 4.4Å; F254-L268 PolarHBondContact N-O 2.89Å; F254-L268 PolarHBondContact O-N 2.7Å; I256-L268 HydrophobicContact CD1-CD1 4.14Å; I256-L268 HydrophobicContact CD1-CD2 4.45Å; I256-L268 HydrophobicContact CD1-CG 3.97Å; L268-V278 HydrophobicContact CB-CG1 4Å; L268-V278 HydrophobicContact CD1-CG1 4.49Å; L268-V278 HydrophobicContact CD2-CG1 4.09Å; L268-V278 HydrophobicContact CG-CG1 4.42Å; L268-C279 CarbonylContact C-O 3.05Å; L268-C279 WeakPolarHBondContact CA-O 3.45Å; L268-H280 HydrophobicContact CD2-CB 3.95Å
269A97.6Very high94.7Very high0 Ų053.6 Ų53.60%031%0.308CS..EExtended strand (participates in β ladder)trans-90.9110.1166.700000109.2Y253 L271 V278 C279 A293Y253-A269 HydrophobicContact CD1-CB 3.92Å; Y253-A269 HydrophobicContact CE1-CB 3.74Å; A269-L271 WeakPolarHBondContact O-CD1 3.07Å; A269-V278 CarbonylContact O-C 3.46Å; A269-V278 WeakPolarHBondContact O-CA 3.42Å; A269-C279 PolarHBondContact N-O 3.46Å; A269-C279 PolarHBondContact O-N 3.09Å; A269-A293 HydrophobicContact CB-CB 3.91Å
270E96.4Very high94.8Very high67 Ų6753.8 Ų53.831%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-88.6126.5168.3-176.2-178.3120.700109.6V251 T252 F254 V276 V278V251-E270 CarbonylContact C-O 3.16Å; V251-E270 WeakPolarHBondContact CA-O 3.17Å; T252-E270 PolarHBondContact N-O 3.4Å; T252-E270 PolarHBondContact O-N 3.21Å; F254-E270 HydrophobicContact CD2-CB 4.33Å; F254-E270 HydrophobicContact CE2-CB 3.76Å; E270-V276 HydrophobicContact CG-CG1 3.74Å; E270-V278 HydrophobicContact CB-CG2 4.39Å; E270-V278 HydrophobicContact CG-CG2 4.26Å
271L94.5Very high94.8Very high0 Ų052.4 Ų52.40%030%0.298CS..EExtended strand (participates in β ladder)trans-106.3128.4172.7-58.467.5000107.8M240 F249 A269 T273 T277 A297 I301M240-L271 HydrophobicContact CE-CD2 3.59Å; M240-L271 HydrophobicContact CE-CG 3.86Å; F249-L271 HydrophobicContact CD2-CB 4.32Å; F249-L271 HydrophobicContact CE2-CB 4.22Å; F249-L271 HydrophobicContact CE2-CD2 4.02Å; F249-L271 HydrophobicContact CE2-CG 4.19Å; A269-L271 WeakPolarHBondContact O-CD1 3.07Å; L271-T273 HydrophobicContact CB-CG2 4.09Å; L271-T273 PolarHBondContact O-N 2.85Å; L271-T273 PolarHBondContact O-OG1 3.49Å; L271-T273 VanDerWaalsContact O-OG1 3.13Å; L271-T277 HydrophobicContact CD1-CG2 4.24Å; L271-T277 HydrophobicContact CD2-CG2 4.41Å; L271-T277 PolarHBondContact N-O 3.06Å; L271-T277 PolarHBondContact O-N 3.04Å; L271-A297 HydrophobicContact CD1-CB 3.89Å; L271-A297 HydrophobicContact CD2-CB 4.3Å; L271-I301 HydrophobicContact CD2-CD1 3.72Å; L271-I301 HydrophobicContact CD2-CG1 4.12Å
272S92.1Very high95Very high17 Ų1747.4 Ų47.412%0.11927%0.268CS..  trans-70.629.1-178.871.50000115P206 S207 E250P206-S272 WeakPolarHBondContact O-CB 3.47Å; P206-S272 PolarHBondContact O-OG 3.36Å; S207-S272 WeakPolarHBondContact CA-O 3.41Å; S207-S272 WeakPolarHBondContact CB-O 3.48Å; S207-S272 PolarHBondContact OG-O 3.15Å; E250-S272 PolarHBondContact N-OG 3.01Å; E250-S272 PolarHBondContact O-N 3.02Å; E250-S272 PolarHBondContact O-OG 2.8Å
273T91Very high95Very high3 Ų341.4 Ų41.42%0.01824%0.238CC..  trans-62.8165172.450.70000112.7V208 L213 L271 P275 V276 T277V208-T273 HydrophobicContact CG1-CG2 3.83Å; V208-T273 CarbonylContact O-C 3.6Å; V208-T273 WeakPolarHBondContact O-CA 3.42Å; L213-T273 HydrophobicContact CD1-CG2 4.15Å; L271-T273 HydrophobicContact CB-CG2 4.09Å; L271-T273 PolarHBondContact O-N 2.85Å; L271-T273 PolarHBondContact O-OG1 3.49Å; L271-T273 VanDerWaalsContact O-OG1 3.13Å; T273-P275 CarbonylContact C-O 3.5Å; T273-P275 WeakPolarHBondContact CB-O 3.43Å; T273-P275 CarbonylContact O-C 3.55Å; T273-P275 PolarHBondContact OG1-O 2.93Å; T273-V276 VanDerWaalsContact O-CA 3.29Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 3.29Å; T273-T277 VanDerWaalsContact OG1-CB 3.25Å; T273-T277 WeakPolarHBondContact OG1-CB 3.22Å; T273-T277 PolarHBondContact OG1-N 3.19Å; T273-T277 PolarHBondContact OG1-OG1 3.1Å
274S86.6Confident95.1Very high61 Ų6146 Ų4643%0.42725%0.25SC..BIsolated β-bridgetrans-122115.6171.2-173.70000109.6V208 L210V208-S274 PolarHBondContact O-N 3.33Å; L210-S274 PolarHBondContact N-O 3Å
275P88.4Confident95Very high97 Ų9745.2 Ų45.263%0.6325%0.251SS*.SBendcis-61.1161-9.631-37.1000112.2T273 T277T273-P275 CarbonylContact C-O 3.5Å; T273-P275 WeakPolarHBondContact CB-O 3.43Å; T273-P275 CarbonylContact O-C 3.55Å; T273-P275 PolarHBondContact OG1-O 2.93Å; P275-T277 PolarHBondContact O-N 3.44Å
276V90.3Very high94.8Very high90 Ų9042.1 Ų42.155%0.54525%0.246SC..  trans-61.11341791790000109.6E270 T273 V278E270-V276 HydrophobicContact CG-CG1 3.74Å; T273-V276 VanDerWaalsContact O-CA 3.29Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 3.29Å; V276-V278 HydrophobicContact CG1-CG2 4.35Å
277T93.3Very high94.7Very high7 Ų742.6 Ų42.64%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-108.9130.7178.5-59.30000108L271 T273 P275 Y300L271-T277 HydrophobicContact CD1-CG2 4.24Å; L271-T277 HydrophobicContact CD2-CG2 4.41Å; L271-T277 PolarHBondContact N-O 3.06Å; L271-T277 PolarHBondContact O-N 3.04Å; T273-T277 VanDerWaalsContact OG1-CB 3.25Å; T273-T277 WeakPolarHBondContact OG1-CB 3.22Å; T273-T277 PolarHBondContact OG1-N 3.19Å; T273-T277 PolarHBondContact OG1-OG1 3.1Å; P275-T277 PolarHBondContact O-N 3.44Å; T277-Y300 HydrophobicContact CG2-CD1 3.54Å; T277-Y300 HydrophobicContact CG2-CE1 3.39Å; T277-Y300 HydrophobicContact CG2-CG 4.24Å
278V96.7Very high94.6Very high79 Ų7946.2 Ų46.248%0.47928%0.279SS..EExtended strand (participates in β ladder)trans-123.1133.3172.3-176.90000108.3L268 A269 E270 V276L268-V278 HydrophobicContact CB-CG1 4Å; L268-V278 HydrophobicContact CD1-CG1 4.49Å; L268-V278 HydrophobicContact CD2-CG1 4.09Å; L268-V278 HydrophobicContact CG-CG1 4.42Å; A269-V278 CarbonylContact O-C 3.46Å; A269-V278 WeakPolarHBondContact O-CA 3.42Å; E270-V278 HydrophobicContact CB-CG2 4.39Å; E270-V278 HydrophobicContact CG-CG2 4.26Å; V276-V278 HydrophobicContact CG1-CG2 4.35Å
279C97.3Very high94.5Very high13 Ų1343.6 Ų43.69%0.08827%0.265CS..EExtended strand (participates in β ladder)trans-122.9137.3176.7-63.90000110L268 A269 A297L268-C279 CarbonylContact C-O 3.05Å; L268-C279 WeakPolarHBondContact CA-O 3.45Å; A269-C279 PolarHBondContact N-O 3.46Å; A269-C279 PolarHBondContact O-N 3.09Å; C279-A297 HydrophobicContact CB-CB 4.14Å
280H97.6Very high94.5Very high82 Ų8245.3 Ų45.338%0.3827%0.273SS..EExtended strand (participates in β ladder)trans-92.7150.5177177.7-111.2000110.5Q266 C267 L268 T282 S296Q266-H280 PolarHBondContact OE1-NE2 2.81Å; C267-H280 CarbonylContact O-C 3.53Å; C267-H280 WeakPolarHBondContact O-CA 3.37Å; L268-H280 HydrophobicContact CD2-CB 3.95Å; H280-T282 WeakPolarHBondContact CE1-CG2 3.48Å; H280-S296 WeakPolarHBondContact O-CB 3.22Å; H280-S296 PolarHBondContact O-OG 2.8Å
281G97.1Very high94.5Very high0 Ų043.9 Ų43.90%027%0.267CS..EExtended strand (participates in β ladder)trans-146.5155171.800000111.7Q266 C267 D292Q266-G281 WeakPolarHBondContact CA-O 3.43Å; C267-G281 PolarHBondContact N-O 2.55Å; C267-G281 PolarHBondContact O-N 2.97Å; G281-D292 VanDerWaalsContact CA-OD2 3.23Å; G281-D292 WeakPolarHBondContact CA-OD2 3.37Å
282T97.4Very high94.5Very high41 Ų4146.6 Ų46.625%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-132.5152.9-178.162.80000111.7T260 Y265 Q266 H280 D292T260-T282 HydrophobicContact CG2-CG2 4.01Å; Y265-T282 CarbonylContact O-C 3.57Å; Y265-T282 VanDerWaalsContact O-CA 3.26Å; Y265-T282 WeakPolarHBondContact O-CA 3.43Å; Q266-T282 HydrophobicContact CG-CG2 4.46Å; H280-T282 WeakPolarHBondContact CE1-CG2 3.48Å; T282-D292 PolarHBondContact N-OD2 3.45Å; T282-D292 VanDerWaalsContact O-CB 3.28Å; T282-D292 WeakPolarHBondContact O-CB 3.37Å
283G96.3Very high94.8Very high6 Ų645.8 Ų45.86%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-164.6162.9-179.800000114.7Q264 Y265 S285Q264-G283 CarbonylContact C-O 3.55Å; Q264-G283 WeakPolarHBondContact CA-O 3.46Å; Q264-G283 WeakPolarHBondContact CB-O 3.23Å; Y265-G283 PolarHBondContact N-O 2.94Å; Y265-G283 PolarHBondContact O-N 2.92Å; G283-S285 PolarHBondContact O-N 2.84Å
284I95.5Very high95.1Very high140 Ų14045.6 Ų45.672%0.71828%0.275SS*.SBendtrans-70.9-7.3171.661.9172000113.1N288I284-N288 WeakPolarHBondContact CG1-OD1 3.31Å
285S96Very high95.5Very high43 Ų4344.2 Ų44.230%0.30126%0.262SS..SBendtrans-148.3162.1172.4750000109.6Y265 G283 G287 N288 A289Y265-S285 VanDerWaalsContact CD2-CA 3.41Å; G283-S285 PolarHBondContact O-N 2.84Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.13Å; S285-N288 WeakPolarHBondContact O-CB 3.32Å; S285-N288 PolarHBondContact O-N 2.8Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 3.26Å; S285-N288 VanDerWaalsContact OG-N 3.12Å; S285-N288 PolarHBondContact OG-OD1 3.06Å; S285-A289 PolarHBondContact O-N 2.98Å
286C94.3Very high95.9Very high49 Ų4941.2 Ų41.233%0.33124%0.244SC..Hα-helixtrans-52.2-47.9171.6164.40000112D255 N288 A289 H290D255-C286 PolarHBondContact OD1-SG 2.82Å; C286-N288 VanDerWaalsContact C-N 3.3Å; C286-N288 PolarHBondContact O-N 3.27Å; C286-A289 WeakPolarHBondContact O-CB 3.46Å; C286-A289 PolarHBondContact O-N 2.96Å; C286-H290 PolarHBondContact O-CD2 3.21Å; C286-H290 VanDerWaalsContact O-CD2 3.24Å; C286-H290 PolarHBondContact O-N 3.16Å; C286-H290 PolarHBondContact SG-NE2 3.05Å
287G95.1Very high96.2Very high44 Ų4437 Ų3745%0.45422%0.218SC..Hα-helixtrans-62.3-33.8177.300000113.8S285 N291S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.13Å; G287-N291 WeakPolarHBondContact O-CB 3.48Å; G287-N291 PolarHBondContact O-N 2.89Å; G287-N291 VanDerWaalsContact O-N 3.14Å
288N94.7Very high96.2Very high76 Ų7636.7 Ų36.741%0.40622%0.216SC..Hα-helixtrans-68.7-40.8171.2-70.5110.5000111.8I284 S285 C286 N291 D292I284-N288 WeakPolarHBondContact CG1-OD1 3.31Å; S285-N288 WeakPolarHBondContact O-CB 3.32Å; S285-N288 PolarHBondContact O-N 2.8Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 3.26Å; S285-N288 VanDerWaalsContact OG-N 3.12Å; S285-N288 PolarHBondContact OG-OD1 3.06Å; C286-N288 VanDerWaalsContact C-N 3.3Å; C286-N288 PolarHBondContact O-N 3.27Å; N288-N291 PolarHBondContact O-N 2.91Å; N288-D292 WeakPolarHBondContact O-CB 3.5Å; N288-D292 PolarHBondContact O-N 3.38Å
289A96.8Very high96.1Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-65.9-38.3178.400000112.3C267 S285 C286 D292 A293C267-A289 HydrophobicContact CB-CB 3.9Å; S285-A289 PolarHBondContact O-N 2.98Å; C286-A289 WeakPolarHBondContact O-CB 3.46Å; C286-A289 PolarHBondContact O-N 2.96Å; A289-D292 PolarHBondContact O-N 2.83Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.84Å
290H96.8Very high96Very high37 Ų3739.6 Ų39.617%0.17122%0.22CC..Hα-helixtrans-61.1-46.3171.2-77.6-144.4000111.3I237 Y253 D255 C267 C286 D292 A293 A294I237-H290 HydrophobicContact CD1-CB 3.69Å; I237-H290 HydrophobicContact CG1-CB 4.5Å; Y253-H290 HydrophobicContact CD1-CB 4.33Å; Y253-H290 AromaticContact CG-ND1 3.94Å; D255-H290 IonicContact OD1-CD2 3.29Å; D255-H290 PolarHBondContact OD1-CD2 3.38Å; D255-H290 VanDerWaalsContact OD1-CD2 3.29Å; D255-H290 IonicContact OD1-NE2 2.85Å; D255-H290 PolarHBondContact OD1-NE2 2.95Å; D255-H290 IonicContact OD2-CE1 3.67Å; D255-H290 IonicContact OD2-NE2 2.96Å; D255-H290 PolarHBondContact OD2-NE2 3.17Å; C267-H290 PolarHBondContact SG-CD2 3.49Å; C286-H290 PolarHBondContact O-CD2 3.21Å; C286-H290 VanDerWaalsContact O-CD2 3.24Å; C286-H290 PolarHBondContact O-N 3.16Å; C286-H290 PolarHBondContact SG-NE2 3.05Å; H290-D292 VanDerWaalsContact C-N 3.33Å; H290-D292 PolarHBondContact O-N 3.29Å; H290-A293 PolarHBondContact O-N 3.29Å; H290-A294 WeakPolarHBondContact O-CB 3.34Å; H290-A294 PolarHBondContact O-N 2.88Å
291N96Very high95.7Very high36 Ų3635.7 Ų35.719%0.19320%0.202CC..Hα-helixtrans-66-35179.7-162.756.9000112.5T234 Y236 I237 G287 N288 H295T234-N291 PolarHBondContact O-ND2 3.44Å; T234-N291 VanDerWaalsContact O-ND2 3.11Å; Y236-N291 WeakPolarHBondContact CB-OD1 3.44Å; Y236-N291 WeakPolarHBondContact CD2-ND2 3.39Å; Y236-N291 PolarHBondContact N-OD1 2.88Å; I237-N291 HydrophobicContact CD1-CB 4.33Å; I237-N291 HydrophobicContact CG1-CB 4.28Å; G287-N291 WeakPolarHBondContact O-CB 3.48Å; G287-N291 PolarHBondContact O-N 2.89Å; G287-N291 VanDerWaalsContact O-N 3.14Å; N288-N291 PolarHBondContact O-N 2.91Å; N291-H295 VanDerWaalsContact O-CB 3.3Å; N291-H295 WeakPolarHBondContact O-CB 3.3Å; N291-H295 PolarHBondContact O-N 3.11Å
292D95.9Very high95.5Very high57 Ų5737.7 Ų37.731%0.30521%0.211SC..Hα-helixtrans-71.9-36.3174.3-165.964.8000112.2G281 T282 N288 A289 H290 H295 S296G281-D292 VanDerWaalsContact CA-OD2 3.23Å; G281-D292 WeakPolarHBondContact CA-OD2 3.37Å; T282-D292 PolarHBondContact N-OD2 3.45Å; T282-D292 VanDerWaalsContact O-CB 3.28Å; T282-D292 WeakPolarHBondContact O-CB 3.37Å; N288-D292 WeakPolarHBondContact O-CB 3.5Å; N288-D292 PolarHBondContact O-N 3.38Å; A289-D292 PolarHBondContact O-N 2.83Å; H290-D292 VanDerWaalsContact C-N 3.33Å; H290-D292 PolarHBondContact O-N 3.29Å; D292-H295 WeakPolarHBondContact O-CB 3.26Å; D292-H295 PolarHBondContact O-N 2.91Å; D292-S296 WeakPolarHBondContact O-CB 3.3Å; D292-S296 PolarHBondContact O-N 3.47Å; D292-S296 PolarHBondContact O-OG 3.31Å
293A97.6Very high95.1Very high0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-68.4-41.617400000111.3Y253 C267 A269 A289 H290 H295 S296 A297Y253-A293 HydrophobicContact CE1-CB 4.49Å; C267-A293 HydrophobicContact CB-CB 4.18Å; A269-A293 HydrophobicContact CB-CB 3.91Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.84Å; H290-A293 PolarHBondContact O-N 3.29Å; A293-H295 VanDerWaalsContact C-N 3.33Å; A293-S296 PolarHBondContact O-N 2.85Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 3.26Å
294A97Very high94.7Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-61.7-40.8172.200000111.8I237 M240 Y253 H290 A297 L298I237-A294 HydrophobicContact CG1-CB 4.08Å; M240-A294 HydrophobicContact CB-CB 4.3Å; Y253-A294 HydrophobicContact CE1-CB 4.09Å; Y253-A294 VanDerWaalsContact OH-CB 3.31Å; Y253-A294 WeakPolarHBondContact OH-CB 3.28Å; H290-A294 WeakPolarHBondContact O-CB 3.34Å; H290-A294 PolarHBondContact O-N 2.88Å; A294-A297 WeakPolarHBondContact O-CB 3.31Å; A294-A297 PolarHBondContact O-N 3.4Å; A294-L298 VanDerWaalsContact O-CG 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.14Å
295H95.9Very high93.9Very high31 Ų3136.9 Ų36.914%0.14421%0.205CC..Hα-helixtrans-61.4-49.3174.8-176.8-122.4000112.2L229 Y236 N291 D292 A293 A297 L298 Q299L229-H295 PolarHBondContact O-NE2 3.07Å; Y236-H295 AromaticContact CD1-CD2 3.87Å; Y236-H295 HydrophobicContact CD2-CB 3.69Å; Y236-H295 AromaticContact CD2-CD2 3.71Å; Y236-H295 AromaticContact CD2-CG 3.99Å; Y236-H295 AromaticContact CE1-CD2 3.59Å; Y236-H295 HydrophobicContact CE2-CB 4.18Å; Y236-H295 AromaticContact CE2-CD2 3.42Å; Y236-H295 VanDerWaalsContact CE2-CD2 3.42Å; Y236-H295 WeakPolarHBondContact CE2-CD2 3.38Å; Y236-H295 AromaticContact CE2-CG 3.97Å; Y236-H295 AromaticContact CE2-NE2 3.99Å; Y236-H295 HydrophobicContact CG-CB 3.98Å; Y236-H295 AromaticContact CG-CD2 3.94Å; Y236-H295 AromaticContact CZ-CD2 3.36Å; Y236-H295 AromaticContact CZ-NE2 3.75Å; N291-H295 VanDerWaalsContact O-CB 3.3Å; N291-H295 WeakPolarHBondContact O-CB 3.3Å; N291-H295 PolarHBondContact O-N 3.11Å; D292-H295 WeakPolarHBondContact O-CB 3.26Å; D292-H295 PolarHBondContact O-N 2.91Å; A293-H295 VanDerWaalsContact C-N 3.33Å; H295-A297 VanDerWaalsContact C-N 3.3Å; H295-A297 PolarHBondContact O-N 3.11Å; H295-L298 PolarHBondContact O-N 2.81Å; H295-Q299 PolarHBondContact CE1-NE2 2.77Å; H295-Q299 PolarHBondContact ND1-NE2 2.98Å; H295-Q299 WeakPolarHBondContact O-CG 3.09Å; H295-Q299 PolarHBondContact O-N 2.96Å
296S96.4Very high93Very high35 Ų3538.5 Ų38.525%0.24522%0.216CC..Hα-helixtrans-59.8-39.2175.7-68.90000112.2H280 D292 A293 Q299 Y300H280-S296 WeakPolarHBondContact O-CB 3.22Å; H280-S296 PolarHBondContact O-OG 2.8Å; D292-S296 WeakPolarHBondContact O-CB 3.3Å; D292-S296 PolarHBondContact O-N 3.47Å; D292-S296 PolarHBondContact O-OG 3.31Å; A293-S296 PolarHBondContact O-N 2.85Å; S296-Q299 PolarHBondContact O-N 3.25Å; S296-Y300 WeakPolarHBondContact O-CB 3.42Å; S296-Y300 PolarHBondContact O-N 2.88Å
297A96.3Very high91.7Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-62.6-47.5172.800000112.7M240 L271 C279 A293 A294 H295 Q299 Y300 I301M240-A297 HydrophobicContact CE-CB 4.26Å; M240-A297 HydrophobicContact SD-CB 4.08Å; L271-A297 HydrophobicContact CD1-CB 3.89Å; L271-A297 HydrophobicContact CD2-CB 4.3Å; C279-A297 HydrophobicContact CB-CB 4.14Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 3.26Å; A294-A297 WeakPolarHBondContact O-CB 3.31Å; A294-A297 PolarHBondContact O-N 3.4Å; H295-A297 VanDerWaalsContact C-N 3.3Å; H295-A297 PolarHBondContact O-N 3.11Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 3.41Å; A297-Y300 PolarHBondContact O-N 3.46Å; A297-I301 WeakPolarHBondContact O-CG1 3.48Å; A297-I301 PolarHBondContact O-N 2.66Å
298L94.8Very high89.8Confident1 Ų151 Ų511%0.00526%0.256CS..Hα-helixtrans-61.7-39.3175.9-72.9169.8000112.1L224 L229 Y236 M239 M240 L243 A294 H295 K302L224-L298 HydrophobicContact CD1-CB 4.17Å; L224-L298 HydrophobicContact CD1-CD2 4.02Å; L224-L298 HydrophobicContact CD2-CD2 4.38Å; L229-L298 HydrophobicContact CD1-CB 3.88Å; L229-L298 HydrophobicContact CD2-CB 4.23Å; L229-L298 HydrophobicContact CD2-CD1 4.36Å; Y236-L298 HydrophobicContact CD1-CD1 3.94Å; Y236-L298 HydrophobicContact CG-CD1 4.38Å; M239-L298 HydrophobicContact CB-CD1 4.07Å; M239-L298 HydrophobicContact CG-CD1 4.01Å; M239-L298 HydrophobicContact CG-CD2 4.35Å; M239-L298 HydrophobicContact SD-CD1 3.87Å; M240-L298 HydrophobicContact CB-CD1 4.4Å; M240-L298 HydrophobicContact CB-CD2 4.35Å; M240-L298 HydrophobicContact CB-CG 4.29Å; M240-L298 HydrophobicContact SD-CD2 3.61Å; M240-L298 HydrophobicContact SD-CG 3.76Å; L243-L298 HydrophobicContact CD2-CD2 3.72Å; A294-L298 VanDerWaalsContact O-CG 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.14Å; H295-L298 PolarHBondContact O-N 2.81Å; L298-K302 VanDerWaalsContact O-CB 3.22Å; L298-K302 WeakPolarHBondContact O-CB 3.46Å; L298-K302 PolarHBondContact O-N 2.96Å
299Q94.1Very high89.6Confident81 Ų8149.7 Ų49.738%0.37925%0.248SC..Hα-helixtrans-62.2-48.3173.4-72.4-175.228.800111.6L229 H295 S296 A297 I301 K302 I303L229-Q299 HydrophobicContact CD1-CB 4.36Å; L229-Q299 HydrophobicContact CD1-CG 3.77Å; H295-Q299 PolarHBondContact CE1-NE2 2.77Å; H295-Q299 PolarHBondContact ND1-NE2 2.98Å; H295-Q299 WeakPolarHBondContact O-CG 3.09Å; H295-Q299 PolarHBondContact O-N 2.96Å; S296-Q299 PolarHBondContact O-N 3.25Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 3.41Å; Q299-I301 PolarHBondContact O-N 2.8Å; Q299-K302 WeakPolarHBondContact O-CB 3.5Å; Q299-K302 PolarHBondContact O-N 2.85Å; Q299-I303 VanDerWaalsContact O-CG1 3.32Å; Q299-I303 WeakPolarHBondContact O-CG1 3.46Å; Q299-I303 PolarHBondContact O-N 3.03Å
300Y93.8Very high89.2Confident72 Ų7252.3 Ų52.328%0.28226%0.261SS..Hα-helixtrans-57.8-50.2178.7176.2-94.1000111.6L210 T277 S296 A297 K302 I303 M304L210-Y300 HydrophobicContact CD1-CE1 4.08Å; L210-Y300 HydrophobicContact CD2-CE1 3.9Å; L210-Y300 WeakPolarHBondContact CD2-OH 3.35Å; T277-Y300 HydrophobicContact CG2-CD1 3.54Å; T277-Y300 HydrophobicContact CG2-CE1 3.39Å; T277-Y300 HydrophobicContact CG2-CG 4.24Å; S296-Y300 WeakPolarHBondContact O-CB 3.42Å; S296-Y300 PolarHBondContact O-N 2.88Å; A297-Y300 PolarHBondContact O-N 3.46Å; Y300-K302 VanDerWaalsContact C-N 3.31Å; Y300-K302 PolarHBondContact O-N 3.28Å; Y300-I303 PolarHBondContact O-N 2.93Å; Y300-M304 HydrophobicContact CD1-CG 4.28Å; Y300-M304 HydrophobicContact CD2-CE 4.25Å; Y300-M304 HydrophobicContact CE1-CG 3.92Å; Y300-M304 HydrophobicContact CE2-CE 3.45Å; Y300-M304 VanDerWaalsContact CE2-CE 3.45Å; Y300-M304 HydrophobicContact CE2-CG 4.21Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.46Å
301I92.6Very high88.8Confident1 Ų153.2 Ų53.21%0.00527%0.266CS..Hα-helixtrans-61.8-42.4177.4-58.7167.1000110.3L213 M221 L224 M240 L243 F249 L271 A297 Q299 I303 M304 A305L213-I301 HydrophobicContact CB-CG2 4.36Å; L213-I301 HydrophobicContact CD1-CG1 4.46Å; L213-I301 HydrophobicContact CD1-CG2 4.08Å; M221-I301 HydrophobicContact CE-CG2 3.43Å; M221-I301 VanDerWaalsContact CE-CG2 3.43Å; L224-I301 HydrophobicContact CD2-CB 4.36Å; L224-I301 HydrophobicContact CD2-CG2 4.31Å; M240-I301 HydrophobicContact CE-CD1 3.79Å; M240-I301 HydrophobicContact SD-CD1 4.23Å; L243-I301 HydrophobicContact CD2-CD1 3.97Å; F249-I301 HydrophobicContact CZ-CD1 3.93Å; L271-I301 HydrophobicContact CD2-CD1 3.72Å; L271-I301 HydrophobicContact CD2-CG1 4.12Å; A297-I301 WeakPolarHBondContact O-CG1 3.48Å; A297-I301 PolarHBondContact O-N 2.66Å; Q299-I301 PolarHBondContact O-N 2.8Å; I301-I303 VanDerWaalsContact C-N 3.32Å; I301-I303 PolarHBondContact O-N 3.41Å; I301-M304 PolarHBondContact O-N 2.83Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.29Å
302K91.7Very high88.3Confident42 Ų4254.2 Ų54.218%0.18327%0.27CS..Hα-helixtrans-59.8-41.8178.3-177.2172.8-179.3146.50112.3L224 R225 N227 L229 L298 Q299 Y300 S306L224-K302 HydrophobicContact CD1-CB 4.45Å; L224-K302 HydrophobicContact CD2-CB 4.13Å; L224-K302 HydrophobicContact CG-CB 4.05Å; L224-K302 HydrophobicContact CG-CG 4.44Å; L224-K302 VanDerWaalsContact O-CD 3.31Å; L224-K302 WeakPolarHBondContact O-CD 3.28Å; L224-K302 VanDerWaalsContact O-CE 3.28Å; L224-K302 WeakPolarHBondContact O-CE 3.37Å; L224-K302 PolarHBondContact O-NZ 3.29Å; R225-K302 WeakPolarHBondContact O-CE 3.44Å; R225-K302 PolarHBondContact O-NZ 3.18Å; N227-K302 PolarHBondContact O-NZ 3.27Å; L229-K302 HydrophobicContact CD1-CD 4.27Å; L298-K302 VanDerWaalsContact O-CB 3.22Å; L298-K302 WeakPolarHBondContact O-CB 3.46Å; L298-K302 PolarHBondContact O-N 2.96Å; Q299-K302 WeakPolarHBondContact O-CB 3.5Å; Q299-K302 PolarHBondContact O-N 2.85Å; Y300-K302 VanDerWaalsContact C-N 3.31Å; Y300-K302 PolarHBondContact O-N 3.28Å; K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 2.85Å; K302-S306 PolarHBondContact O-OG 3.12Å
303I90.5Very high87.9Confident94 Ų9454 Ų5448%0.48227%0.268SS..Hα-helixtrans-64-51175.8-69.1163.3000109.7Q299 Y300 I301 A305 S306 I307Q299-I303 VanDerWaalsContact O-CG1 3.32Å; Q299-I303 WeakPolarHBondContact O-CG1 3.46Å; Q299-I303 PolarHBondContact O-N 3.03Å; Y300-I303 PolarHBondContact O-N 2.93Å; I301-I303 VanDerWaalsContact C-N 3.32Å; I301-I303 PolarHBondContact O-N 3.41Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.31Å; I303-S306 PolarHBondContact O-N 3.24Å; I303-I307 HydrophobicContact CG2-CD1 3.85Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.12Å; I303-I307 VanDerWaalsContact O-N 3.14Å
304M86.8Confident87.2Confident63 Ų6357.6 Ų57.631%0.3129%0.286SS..Hα-helixtrans-62.8-30.5-179.8-67.8-61.6172.100113.3L210 Y300 I301 S306 I307L210-M304 HydrophobicContact CD1-CB 4.21Å; L210-M304 HydrophobicContact CD1-CG 4.43Å; L210-M304 HydrophobicContact CD2-CG 4.17Å; L210-M304 HydrophobicContact CG-CB 4.46Å; Y300-M304 HydrophobicContact CD1-CG 4.28Å; Y300-M304 HydrophobicContact CD2-CE 4.25Å; Y300-M304 HydrophobicContact CE1-CG 3.92Å; Y300-M304 HydrophobicContact CE2-CE 3.45Å; Y300-M304 VanDerWaalsContact CE2-CE 3.45Å; Y300-M304 HydrophobicContact CE2-CG 4.21Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.46Å; I301-M304 PolarHBondContact O-N 2.83Å; M304-S306 VanDerWaalsContact C-N 3.33Å; M304-I307 HydrophobicContact SD-CD1 4.33Å
305A80.1Confident86.5Confident13 Ų1361.7 Ų61.711%0.10731%0.307CS..THydrogen-bonded Turntrans-81.8-7.2173.500000114.5M221 R225 I301 I303M221-A305 HydrophobicContact SD-CB 4.34Å; R225-A305 HydrophobicContact CG-CB 4.36Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.29Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.31Å
306S75.4Confident85.8Confident76 Ų7664.1 Ų64.153%0.53132%0.319SS..THydrogen-bonded Turntrans-102.5-21.1178-57.90000113.3K302 I303 M304 K308K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 2.85Å; K302-S306 PolarHBondContact O-OG 3.12Å; I303-S306 PolarHBondContact O-N 3.24Å; M304-S306 VanDerWaalsContact C-N 3.33Å; S306-K308 PolarHBondContact O-N 2.69Å
307I68.5Low84.9Confident96 Ų9666.5 Ų66.549%0.49233%0.325SS..  trans-76.1110.1175.6-63.2162.9000109R214 I303 M304R214-I307 VanDerWaalsContact CD-O 3.24Å; R214-I307 WeakPolarHBondContact CD-O 3.45Å; I303-I307 HydrophobicContact CG2-CD1 3.85Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.12Å; I303-I307 VanDerWaalsContact O-N 3.14Å; M304-I307 HydrophobicContact SD-CD1 4.33Å
308K54.7Low83.9Confident259 Ų25972.5 Ų72.5100%1.12636%0.355SS*.  trans-86.90170.8-83.1-173.8172.5-1780111.2S306S306-K308 PolarHBondContact O-N 2.69Å

Retrieved 308 of 308 residues in 144.4 ms (Link to these results)