A0A060XG94_ONCMY Loading...

Mitochondrial ribosomal protein S24

AlphaFold DB , UniProt , Accession A0A060XG94, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 171 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
1M35.6Very low36.5Very low246 Ų246145.5 Ų145.5100%1.21286%0.861SS**  0127.10-64.9-170.9-9900107.7
2A32.2Very low36.5Very low103 Ų103145.3 Ų145.385%0.85185%0.852SS**  cis177.6142.9-11.700000103.2
3A34.3Very low36.9Very low94 Ų94142.8 Ų142.878%0.77785%0.847SS**  cis-153.4145.6-7.100000107.2
4S39.3Very low37.3Very low118 Ų118143.9 Ų143.983%0.82584%0.844SS**  trans-78.7123.8169.651.20000110.4
5L38.8Very low37.1Very low177 Ų177140.5 Ų140.593%0.92784%0.839SS**  trans-97104.2171.1-84162.2000110.5
6S35.5Very low37.5Very low95 Ų95142.1 Ų142.166%0.66484%0.841SS**  trans-62.7128.1168.1157.10000110.7R8S6-R8 PolarHBondContact O-N 3.34Å
7C35.7Very low37.4Very low134 Ų134139.6 Ų139.691%0.90584%0.84SS**  trans-69.8103.8167.1-70.60000109.8
8R34.5Very low37.7Very low226 Ų226144.6 Ų144.685%0.85384%0.842SS**  trans-97.8110.4159.6-90.1-177.3168179-3.2108.6S6 V10S6-R8 PolarHBondContact O-N 3.34Å; R8-V10 PolarHBondContact O-N 3.18Å
9G41.8Very low37.6Very low80 Ų80144.9 Ų144.983%0.82585%0.846SS**  trans-65.4119.4172.400000110.6
10V34.1Very low37.4Very low123 Ų123140.9 Ų140.975%0.74584%0.836SS**  trans-92109.5167.7178.60000107.3R8 L12R8-V10 PolarHBondContact O-N 3.18Å; V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 PolarHBondContact O-N 3.42Å
11K40.2Very low37.9Very low205 Ų205141.2 Ų141.289%0.89184%0.839SS**  trans-72.1115.3164.7-72.9-178177.21790107.5
12L35.7Very low38Very low143 Ų143134 Ų13475%0.74981%0.813SS**  trans-107.5100.6167.8-118.2147.2000107.8V10 I14V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 PolarHBondContact O-N 3.42Å; L12-I14 PolarHBondContact O-N 3.5Å
13S41.7Very low38.8Very low112 Ų112137.3 Ų137.378%0.78382%0.815SS**  trans-63.9120.7167.5460000109.4
14I42.6Very low39.1Very low158 Ų158138 Ų13881%0.8181%0.812SS**  trans-114.4119.3168.7-65.8175.3000107.6L12L12-I14 PolarHBondContact O-N 3.5Å
15A34.8Very low39.4Very low93 Ų93138.9 Ų138.977%0.76981%0.813SS**  trans-65.1143.4-176.300000112.3A17A15-A17 PolarHBondContact O-N 3.07Å
16L43.1Very low39.8Very low166 Ų166137.1 Ų137.187%0.86980%0.804SS**  trans-64.6121.7165.9-97.3131.6000110
17A35.6Very low40.7Very low100 Ų100137.6 Ų137.683%0.82681%0.808SS**  trans-127.8105.1155.400000108.2A15A15-A17 PolarHBondContact O-N 3.07Å
18R44Very low41.7Very low230 Ų230134 Ų13487%0.86879%0.793SS**  trans-73.2130.2160.1-85.3-178.3166.8142.1-3.7107.4
19V35.5Very low42.9Very low151 Ų151128.8 Ų128.892%0.91579%0.786SS**  trans179.4136.5133.5162.30000108.1
20G32.6Very low43.8Very low63 Ų63136.3 Ų136.365%0.64979%0.79SS**  trans108.295.5150.700000116S22G20-S22 PolarHBondContact O-N 3.18Å
21T47.8Very low45.4Very low148 Ų148136.5 Ų136.591%0.90879%0.792SS**  trans-52.7113.4160.442.10000111.5
22S38.2Very low46.5Very low96 Ų96134.1 Ų134.167%0.67179%0.788SS**  trans-157.9128.9143.667.50000108.3G20 C24G20-S22 PolarHBondContact O-N 3.18Å; S22-C24 VanDerWaalsContact C-N 3.3Å; S22-C24 PolarHBondContact O-N 3.44Å
23I49.2Very low47.5Very low172 Ų172134.9 Ų134.988%0.88279%0.787SS**  trans-71.191.2174.2-65.6165.9000106.3
24C40.2Very low48.8Very low107 Ų107136 Ų13672%0.72379%0.789SS**  trans-83.1115.7164.235.60000107.7S22 N26S22-C24 VanDerWaalsContact C-N 3.3Å; S22-C24 PolarHBondContact O-N 3.44Å; C24-N26 PolarHBondContact O-N 3.27Å
25V46.5Very low50.2Low137 Ų137132.5 Ų132.583%0.8378%0.775SS**  trans-50.1107.8177178.60000108.4S27V25-S27 PolarHBondContact O-N 3.02Å
26N45.9Very low51.9Low140 Ų140132.3 Ų132.375%0.74977%0.774SS**  trans-64.9102.9175.6-16224.3000106.6C24 G28C24-N26 PolarHBondContact O-N 3.27Å; N26-G28 VanDerWaalsContact C-N 3.29Å; N26-G28 PolarHBondContact O-N 2.95Å
27S55.3Low53.4Low106 Ų106131.5 Ų131.574%0.74177%0.769SS**  trans-55.6101.2168.8-176.40000106V25 T29V25-S27 PolarHBondContact O-N 3.02Å; S27-T29 PolarHBondContact O-N 2.83Å
28G56.8Low55.1Low57 Ų57131.5 Ų131.559%0.58876%0.761SS**  trans-54.7112.3-16800000109.5N26 R30N26-G28 VanDerWaalsContact C-N 3.29Å; N26-G28 PolarHBondContact O-N 2.95Å; G28-R30 VanDerWaalsContact C-N 3.28Å; G28-R30 PolarHBondContact O-N 3.2Å
29T59.3Low56.8Low117 Ų117126 Ų12672%0.71876%0.757SS**  trans-62.894.8171.843.10000107.7S27 T31S27-T29 PolarHBondContact O-N 2.83Å; T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.06Å
30R61.8Low59.3Low238 Ų238126.9 Ų126.990%0.89875%0.748SS**  trans-69.693.7168.4-75.3-174.3174.3-157.9-0.5107.2G28 L32G28-R30 VanDerWaalsContact C-N 3.28Å; G28-R30 PolarHBondContact O-N 3.2Å; R30-L32 PolarHBondContact O-N 2.94Å
31T65.9Low62Low128 Ų128129.6 Ų129.679%0.78575%0.748SS**  trans-72.9120.9171.151.90000108.6T29T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.06Å
32L64.8Low64.1Low154 Ų154131.3 Ų131.381%0.80674%0.738SS**  trans-83.1114.6173-66.8175.2000108.4R30 V34R30-L32 PolarHBondContact O-N 2.94Å; L32-V34 HydrophobicContact CB-CG2 4.12Å; L32-V34 PolarHBondContact O-N 3.5Å; L32-V34 VanDerWaalsContact O-N 3.12Å
33H56.1Low66.7Low159 Ų159130.3 Ų130.374%0.73674%0.735SS**  trans-79.191173.9-169.8-88.4000109.6T35H33-T35 VanDerWaalsContact C-N 3.35Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H33-T35 PolarHBondContact CE1-OG1 2.89Å; H33-T35 PolarHBondContact ND1-OG1 2.82Å; H33-T35 VanDerWaalsContact ND1-OG1 3.1Å; H33-T35 PolarHBondContact O-N 2.58Å
34V69.8Low68.9Low137 Ų137125.8 Ų125.883%0.8372%0.724SS**  trans-91.758.7-179-165.40000111L32L32-V34 HydrophobicContact CB-CG2 4.12Å; L32-V34 PolarHBondContact O-N 3.5Å; L32-V34 VanDerWaalsContact O-N 3.12Å
35T71.7Confident71.4Confident84 Ų84125.1 Ų125.152%0.51571%0.706SS.*  trans-99.5136.5167.463.50000109.7H33 I37H33-T35 VanDerWaalsContact C-N 3.35Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H33-T35 PolarHBondContact CE1-OG1 2.89Å; H33-T35 PolarHBondContact ND1-OG1 2.82Å; H33-T35 VanDerWaalsContact ND1-OG1 3.1Å; H33-T35 PolarHBondContact O-N 2.58Å; T35-I37 PolarHBondContact O-N 3.41Å
36A69.8Low73.6Confident89 Ų89120.3 Ų120.374%0.73668%0.675SS**  trans-53.6126.9172.300000110.7C38A36-C38 PolarHBondContact O-N 3.12Å
37I74.5Confident75.8Confident149 Ų149122.4 Ų122.476%0.76467%0.673SS**  trans-71.3102.3176.4-60.2168.9000107.4T35 C39T35-I37 PolarHBondContact O-N 3.41Å; I37-C39 PolarHBondContact O-N 2.91Å
38C70.5Confident77.6Confident100 Ų100122.6 Ų122.668%0.67667%0.669SS**  trans-70.791.3169.9-690000109.4A36 K40A36-C38 PolarHBondContact O-N 3.12Å; C38-K40 PolarHBondContact O-N 3.1Å
39C80.4Confident79.2Confident114 Ų114122.6 Ų122.677%0.7767%0.669SS**  trans-68.873.8176-69.80000111.9I37I37-C39 PolarHBondContact O-N 2.91Å
40K87.3Confident80.8Confident169 Ų169125.9 Ų125.974%0.73567%0.674SS**  trans-74.5134.5174.5-63-176.9-177.5-178.80110.6C38 R42C38-K40 PolarHBondContact O-N 3.1Å; K40-R42 WeakPolarHBondContact O-CG 3.29Å; K40-R42 PolarHBondContact O-N 3.25Å
41N90.6Very high82.3Confident121 Ų121116.1 Ų116.165%0.64765%0.647SS**  trans-62.3122.6175.5-71.1-21000111.7R45N41-R45 WeakPolarHBondContact O-CD 3.28Å
42R90.9Very high83.7Confident183 Ų183115.2 Ų115.269%0.69164%0.637SS**  trans-112.8-15.4-178.5-51.7-170.2-157.5-173.210.1114.9K40 A44 R45K40-R42 WeakPolarHBondContact O-CG 3.29Å; K40-R42 PolarHBondContact O-N 3.25Å; R42-A44 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 2.95Å
43A93.9Very high85.1Confident75 Ų75114.3 Ų114.362%0.6262%0.623SS**THydrogen-bonded Turntrans-60.3122.8-17300000112.2R45A43-R45 VanDerWaalsContact O-CG 3.26Å; A43-R45 WeakPolarHBondContact O-CG 3.26Å; A43-R45 PolarHBondContact O-N 2.81Å; A43-R45 VanDerWaalsContact O-N 3.13Å
44A94.1Very high87Confident78 Ų78110 Ų11065%0.64561%0.609SS**THydrogen-bonded Turntrans44.642-177.800000113.8R42 P63R42-A44 PolarHBondContact O-N 3.34Å; A44-P63 HydrophobicContact CB-CG 3.85Å
45R93.9Very high88.3Confident93 Ų93103.6 Ų103.635%0.35157%0.57SS.*  trans-117.4128.2172.7-51-161.9-179.2-172.4-6.1109.7N41 R42 A43N41-R45 WeakPolarHBondContact O-CD 3.28Å; R42-R45 PolarHBondContact O-N 2.95Å; A43-R45 VanDerWaalsContact O-CG 3.26Å; A43-R45 WeakPolarHBondContact O-CG 3.26Å; A43-R45 PolarHBondContact O-N 2.81Å; A43-R45 VanDerWaalsContact O-N 3.13Å
46I93.4Very high89.4Confident36 Ų3699.8 Ų99.819%0.18555%0.547CS..PPolyproline II helixtrans-89.8123.7170.9-61.6176.6000107.5L55 Q59I46-L55 HydrophobicContact CB-CD1 4.24Å; I46-L55 HydrophobicContact CD1-CD1 4.05Å; I46-L55 HydrophobicContact CD1-CD2 3.41Å; I46-L55 VanDerWaalsContact CD1-CD2 3.41Å; I46-L55 HydrophobicContact CD1-CG 4.38Å; I46-L55 HydrophobicContact CG2-CD1 4.22Å; I46-L55 HydrophobicContact CG2-CD2 4.26Å; I46-Q59 HydrophobicContact CD1-CB 3.84Å
47R91.7Very high90.7Very high184 Ų184100 Ų10069%0.69453%0.529SS*.PPolyproline II helixtrans-68.3137.7178.6-68.2-175.5177.2179.5-1.8109.8
48V92.4Very high91.6Very high110 Ų11095.1 Ų95.167%0.66750%0.503SS*.PPolyproline II helixtrans-62.9135.9175-1750000109L171V48-L171 HydrophobicContact CG2-CD1 4.48Å; V48-L171 HydrophobicContact CG2-CD2 4.2Å
49G90.8Very high92.8Very high57 Ų5793.5 Ų93.559%0.58849%0.486SS*.  trans-115.9-132.6177.400000110.3L171G49-L171 WeakPolarHBondContact CA-OXT 3.41Å; G49-L171 PolarHBondContact N-OXT 2.73Å
50K93.3Very high93.5Very high186 Ų18688.4 Ų88.481%0.80945%0.452SS*.SBendtrans-84.8-14-178.5-172.6175168.2-153.90113.5D52K50-D52 WeakPolarHBondContact CD-OD2 3.44Å; K50-D52 IonicContact NZ-OD2 3.8Å
51G92.6Very high93.9Very high32 Ų3280.8 Ų80.833%0.3342%0.419SS..SBendtrans101.26.7-170.200000114.4Y170 L171G51-Y170 VanDerWaalsContact O-CB 3.28Å; G51-Y170 WeakPolarHBondContact O-CB 3.33Å; G51-L171 CarbonylContact C-O 3.3Å; G51-L171 VanDerWaalsContact C-O 3.3Å; G51-L171 VanDerWaalsContact CA-O 3.23Å; G51-L171 WeakPolarHBondContact CA-O 3.19Å; G51-L171 VanDerWaalsContact N-C 3.27Å; G51-L171 PolarHBondContact N-O 3.11Å; G51-L171 PolarHBondContact N-OXT 3.06Å; G51-L171 VanDerWaalsContact N-OXT 3.07Å
52D94.8Very high94.1Very high109 Ų10977.7 Ų77.758%0.58340%0.4SS*.  trans-97.3-10.4-176-59.4-30.9000112.6K50 P54 L171K50-D52 WeakPolarHBondContact CD-OD2 3.44Å; K50-D52 IonicContact NZ-OD2 3.8Å; D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.23Å; D52-L171 PolarHBondContact N-O 2.99Å
53R95.3Very high94.4Very high136 Ų13671.5 Ų71.551%0.51338%0.384SS..  trans-87.8113.5-172.3-176.5178.61771641.4111.2L55 Y170 L171R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 PolarHBondContact O-N 3.09Å; R53-Y170 WeakPolarHBondContact O-CA 3.34Å; R53-L171 WeakPolarHBondContact CB-O 3.25Å; R53-L171 PolarHBondContact N-O 3.1Å; R53-L171 PolarHBondContact O-N 3.46Å
54P96Very high94.5Very high69 Ų6972.6 Ų72.645%0.44838%0.376SS..EExtended strand (participates in β ladder)trans-72.9130.6176.529-33.5000110.8D52 V167 Y170D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.23Å; P54-V167 HydrophobicContact CB-CG1 3.85Å; P54-V167 HydrophobicContact CB-CG2 3.87Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.72Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å
55L95.6Very high94.6Very high2 Ų270.9 Ų70.91%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-119.6142.8176.5-63.6-172.6000112I46 R53 A60 Y168 K169 L171I46-L55 HydrophobicContact CB-CD1 4.24Å; I46-L55 HydrophobicContact CD1-CD1 4.05Å; I46-L55 HydrophobicContact CD1-CD2 3.41Å; I46-L55 VanDerWaalsContact CD1-CD2 3.41Å; I46-L55 HydrophobicContact CD1-CG 4.38Å; I46-L55 HydrophobicContact CG2-CD1 4.22Å; I46-L55 HydrophobicContact CG2-CD2 4.26Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 PolarHBondContact O-N 3.09Å; L55-A60 HydrophobicContact CB-CB 4.35Å; L55-Y168 PolarHBondContact O-N 2.78Å; L55-K169 HydrophobicContact CB-CG 4.39Å; L55-K169 PolarHBondContact N-O 3.41Å; L55-K169 PolarHBondContact O-N 3.26Å; L55-L171 HydrophobicContact CD1-CB 4.14Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 3.76Å
56T96Very high94.8Very high4 Ų470.1 Ų70.13%0.02536%0.357CS..  trans-79.8161.9170.967.10000110.3E58 Q59 A60 N110 K165T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 PolarHBondContact O-N 3.43Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-CG 3.31Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.46Å; T56-A60 VanDerWaalsContact O-CB 3.27Å; T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 2.92Å; T56-N110 WeakPolarHBondContact CB-OD1 3.27Å; T56-N110 VanDerWaalsContact CG2-OD1 3.23Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.38Å; T56-K165 HydrophobicContact CG2-CD 4.05Å; T56-K165 VanDerWaalsContact CG2-CE 3.43Å; T56-K165 HydrophobicContact CG2-CG 4.1Å
57Y96.3Very high94.9Very high94 Ų9470.7 Ų70.737%0.36937%0.372SS..Hα-helixtrans-52.1-46.5178.5-177.7-101.5000112.3Q59 A60 L61 R69 K70 Y168Y57-Q59 PolarHBondContact O-N 2.85Å; Y57-A60 PolarHBondContact O-N 3.14Å; Y57-L61 HydrophobicContact CD1-CD1 4.18Å; Y57-L61 HydrophobicContact CD2-CD1 4.28Å; Y57-L61 HydrophobicContact CE1-CD1 3.6Å; Y57-L61 HydrophobicContact CE2-CD1 3.71Å; Y57-L61 HydrophobicContact CG-CD1 4.49Å; Y57-R69 PolarHBondContact OH-O 3.24Å; Y57-K70 HydrophobicContact CE1-CB 4.48Å; Y57-Y168 HydrophobicContact CD2-CD1 4.28Å; Y57-Y168 AromaticContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CE1 4.29Å; Y57-Y168 AromaticContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CG 4.03Å; Y57-Y168 HydrophobicContact CE2-CE2 4.2Å
58E94.3Very high95.2Very high45 Ų4569.5 Ų69.521%0.2137%0.374CS..Hα-helixtrans-64.8-40.1179.5-74-56.1154.300113T56 A60 K70T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 PolarHBondContact O-N 3.43Å; E58-A60 VanDerWaalsContact C-N 3.35Å; E58-K70 PolarHBondContact O-NZ 3.22Å; E58-K70 IonicContact OE2-NZ 3.01Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å
59Q94.9Very high95.4Very high66 Ų6671.6 Ų71.631%0.30837%0.37SS..Hα-helixtrans-73.6-27.8179.8-69.7179.8-15.600113I46 T56 Y57I46-Q59 HydrophobicContact CD1-CB 3.84Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-CG 3.31Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.46Å; Y57-Q59 PolarHBondContact O-N 2.85Å
60A95.2Very high95.7Very high7 Ų770.2 Ų70.26%0.05835%0.348CS..Hα-helixtrans-75.3-23.4-175.800000114.2L55 T56 Y57 E58 Y168 K169L55-A60 HydrophobicContact CB-CB 4.35Å; T56-A60 VanDerWaalsContact O-CB 3.27Å; T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 2.92Å; Y57-A60 PolarHBondContact O-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.35Å; A60-Y168 HydrophobicContact CB-CD1 3.61Å; A60-Y168 HydrophobicContact CB-CE1 4.13Å; A60-K169 HydrophobicContact CB-CD 3.85Å; A60-K169 VanDerWaalsContact CB-CE 3.42Å; A60-K169 HydrophobicContact CB-CG 4.03Å; A60-K169 PolarHBondContact O-NZ 3.01Å
61L95.6Very high95.8Very high10 Ų1063.4 Ų63.45%0.05233%0.33CS..SBendtrans-103.7132-173.6-72.1172.1000111.7Y57 R69 K70Y57-L61 HydrophobicContact CD1-CD1 4.18Å; Y57-L61 HydrophobicContact CD2-CD1 4.28Å; Y57-L61 HydrophobicContact CE1-CD1 3.6Å; Y57-L61 HydrophobicContact CE2-CD1 3.71Å; Y57-L61 HydrophobicContact CG-CD1 4.49Å; L61-R69 HydrophobicContact CD1-CB 3.89Å; L61-R69 HydrophobicContact CD2-CB 4.33Å; L61-K70 HydrophobicContact CD1-CB 4.18Å; L61-K70 WeakPolarHBondContact O-CE 3.49Å; L61-K70 PolarHBondContact O-NZ 2.98Å; L61-K70 VanDerWaalsContact O-NZ 3.11Å
62H95.4Very high96.1Very high55 Ų5570 Ų7026%0.25535%0.345SS..  trans-74164.4179.6-61.8151.8000113.8H64 H65H62-H64 VanDerWaalsContact C-N 3.33Å; H62-H64 WeakPolarHBondContact CB-CE1 3.4Å; H62-H64 AromaticContact CG-CE1 3.8Å; H62-H64 AromaticContact ND1-CE1 3.58Å; H62-H64 AromaticContact ND1-NE2 3.98Å; H62-H64 PolarHBondContact O-N 2.69Å; H62-H65 WeakPolarHBondContact O-CB 3.44Å; H62-H65 PolarHBondContact O-N 3.35Å
63P97.1Very high96.2Very high53 Ų5366.7 Ų66.734%0.34433%0.327SS..G310 helixtrans-56.6-35.8-178.1-30.937.4000116.1A44 H65 I66A44-P63 HydrophobicContact CB-CG 3.85Å; P63-H65 PolarHBondContact O-N 2.92Å; P63-H65 VanDerWaalsContact O-N 3.11Å; P63-I66 WeakPolarHBondContact O-CB 3.26Å; P63-I66 WeakPolarHBondContact O-CD1 3.21Å; P63-I66 WeakPolarHBondContact O-CG1 3.43Å; P63-I66 PolarHBondContact O-N 3.11Å; P63-I66 VanDerWaalsContact O-N 3.09Å
64H95.8Very high96.3Very high99 Ų9961.3 Ų61.346%0.45831%0.311SS..G310 helixtrans-70.4-4.5179.952.8-91.6000113.6H62H62-H64 VanDerWaalsContact C-N 3.33Å; H62-H64 WeakPolarHBondContact CB-CE1 3.4Å; H62-H64 AromaticContact CG-CE1 3.8Å; H62-H64 AromaticContact ND1-CE1 3.58Å; H62-H64 AromaticContact ND1-NE2 3.98Å; H62-H64 PolarHBondContact O-N 2.69Å
65H97Very high96.4Very high42 Ų4263 Ų6319%0.19431%0.312CS..G310 helixtrans-940.9172.3-62.3148.2000113.3H62 P63 G67 H68 R69 K70H62-H65 WeakPolarHBondContact O-CB 3.44Å; H62-H65 PolarHBondContact O-N 3.35Å; P63-H65 PolarHBondContact O-N 2.92Å; P63-H65 VanDerWaalsContact O-N 3.11Å; H65-G67 PolarHBondContact O-N 3.13Å; H65-H68 PolarHBondContact O-N 3.12Å; H65-H68 VanDerWaalsContact O-N 3.12Å; H65-R69 HydrophobicContact CB-CB 4.26Å; H65-R69 PolarHBondContact O-N 3.47Å; H65-K70 PolarHBondContact O-N 3.47Å; H65-K70 VanDerWaalsContact O-N 3.14Å
66I97.5Very high96.4Very high76 Ų7664.7 Ų64.739%0.3932%0.32SS..BIsolated β-bridgetrans-63.7129.7171.2-62167.2000108.7P63 H68 K70 W72P63-I66 WeakPolarHBondContact O-CB 3.26Å; P63-I66 WeakPolarHBondContact O-CD1 3.21Å; P63-I66 WeakPolarHBondContact O-CG1 3.43Å; P63-I66 PolarHBondContact O-N 3.11Å; P63-I66 VanDerWaalsContact O-N 3.09Å; I66-H68 VanDerWaalsContact C-N 3.26Å; I66-H68 PolarHBondContact O-N 3.39Å; I66-K70 HydrophobicContact CB-CG 4.26Å; I66-K70 HydrophobicContact CG1-CD 3.53Å; I66-K70 HydrophobicContact CG1-CG 3.74Å; I66-W72 HydrophobicContact CG2-CZ2 4.29Å
67G95.7Very high96.5Very high49 Ų4968.5 Ų68.551%0.50534%0.344SS..THydrogen-bonded Turntrans84.2-11.5-174.300000114.7H65 K70H65-G67 PolarHBondContact O-N 3.13Å; G67-K70 PolarHBondContact N-O 3.29Å
68H97.3Very high96.4Very high158 Ų15864.4 Ų64.473%0.73133%0.33SS*.THydrogen-bonded Turntrans-109.2-53.3177.7-64-76.1000112.9H65 I66H65-H68 PolarHBondContact O-N 3.12Å; H65-H68 VanDerWaalsContact O-N 3.12Å; I66-H68 VanDerWaalsContact C-N 3.26Å; I66-H68 PolarHBondContact O-N 3.39Å
69R96.7Very high96.5Very high155 Ų15567.9 Ų67.959%0.58535%0.35SS*.THydrogen-bonded Turntrans-116.4-34.7-179.2-60.1-177.8177.1-179.4-0.1111.5Y57 L61 H65Y57-R69 PolarHBondContact OH-O 3.24Å; L61-R69 HydrophobicContact CD1-CB 3.89Å; L61-R69 HydrophobicContact CD2-CB 4.33Å; H65-R69 HydrophobicContact CB-CB 4.26Å; H65-R69 PolarHBondContact O-N 3.47Å
70K96.4Very high96.6Very high28 Ų2869.8 Ų69.812%0.12236%0.362CS..BIsolated β-bridgetrans-112.9148.3177.167.2168.261.8-155.80111.3Y57 E58 L61 H65 I66 G67Y57-K70 HydrophobicContact CE1-CB 4.48Å; E58-K70 PolarHBondContact O-NZ 3.22Å; E58-K70 IonicContact OE2-NZ 3.01Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å; L61-K70 HydrophobicContact CD1-CB 4.18Å; L61-K70 WeakPolarHBondContact O-CE 3.49Å; L61-K70 PolarHBondContact O-NZ 2.98Å; L61-K70 VanDerWaalsContact O-NZ 3.11Å; H65-K70 PolarHBondContact O-N 3.47Å; H65-K70 VanDerWaalsContact O-N 3.14Å; I66-K70 HydrophobicContact CB-CG 4.26Å; I66-K70 HydrophobicContact CG1-CD 3.53Å; I66-K70 HydrophobicContact CG1-CG 3.74Å; G67-K70 PolarHBondContact N-O 3.29Å
71G96.9Very high96.7Very high43 Ų4379.1 Ų79.144%0.44340%0.404SS..  trans-88.9-158.2174.300000112.5
72W97.5Very high96.7Very high169 Ų16982.6 Ų82.664%0.6444%0.443SS*.  trans-107.6138.6176-61.5-91000111.1I66 S74I66-W72 HydrophobicContact CG2-CZ2 4.29Å; W72-S74 VanDerWaalsContact C-N 3.34Å
73L97.5Very high96.7Very high40 Ų4085.4 Ų85.421%0.20946%0.456CS..SBendtrans-82.1-12.8178-62.9172.5000113.4R97 E111 V113 I114L73-R97 PolarHBondContact O-NH2 3.42Å; L73-E111 HydrophobicContact CD1-CB 4.01Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.47Å; L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.6Å; L73-V113 WeakPolarHBondContact O-CA 3.33Å; L73-I114 PolarHBondContact O-N 2.81Å
74S97.5Very high96.6Very high24 Ų2485.6 Ų85.617%0.16847%0.468CS..EExtended strand (participates in β ladder)trans-128.5134.4169.6-172.40000109.5W72 D93 I114W72-S74 VanDerWaalsContact C-N 3.34Å; S74-D93 WeakPolarHBondContact CB-OD2 3.25Å; S74-D93 PolarHBondContact OG-OD2 3.29Å; S74-I114 CarbonylContact C-O 3.44Å; S74-I114 WeakPolarHBondContact CA-O 3.23Å
75Q97.2Very high96.5Very high103 Ų10382.5 Ų82.548%0.48146%0.462SS..EExtended strand (participates in β ladder)trans-123.6113.7178.4-63.4178.7-3.200108.9I114 R116Q75-I114 PolarHBondContact N-O 3.27Å; Q75-R116 PolarHBondContact O-N 3.44Å
76H97Very high96.4Very high38 Ų3881.9 Ų81.918%0.17647%0.465CS..  trans-151.5163.9176.664.682.8000110.4G78 N79 R116H76-G78 PolarHBondContact ND1-N 3.13Å; H76-N79 VanDerWaalsContact CE1-CG 3.49Å; H76-N79 PolarHBondContact CE1-ND2 3.16Å; H76-R116 HydrophobicContact CB-CB 4.35Å
77T96.9Very high96.4Very high84 Ų8481.8 Ų81.852%0.51547%0.471SS..SBendtrans-82.6-22.2-177.153.60000114.1N79 L80 E83T77-N79 PolarHBondContact O-N 3.3Å; T77-L80 HydrophobicContact CG2-CD1 4.36Å; T77-L80 VanDerWaalsContact O-CB 3.28Å; T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 VanDerWaalsContact O-CG 3.29Å; T77-L80 WeakPolarHBondContact O-CG 3.31Å; T77-L80 PolarHBondContact O-N 2.75Å; T77-E83 WeakPolarHBondContact O-CB 2.93Å
78G95.4Very high96.4Very high8 Ų884 Ų848%0.08247%0.471CS..THydrogen-bonded Turntrans-58.5-17.7-17200000117.5H76H76-G78 PolarHBondContact ND1-N 3.13Å
79N96.6Very high96.3Very high118 Ų11881 Ų8163%0.63145%0.453SS*.THydrogen-bonded Turntrans-91.30.6175.7-68.5-20.6000113.4H76 T77 A86H76-N79 VanDerWaalsContact CE1-CG 3.49Å; H76-N79 PolarHBondContact CE1-ND2 3.16Å; T77-N79 PolarHBondContact O-N 3.3Å; N79-A86 WeakPolarHBondContact OD1-CB 3.48Å
80L96.9Very high96.3Very high107 Ų10776.6 Ų76.656%0.5644%0.444SS*.SBendtrans-74.8154.2175.3-62174000110.2T77 G82 E83T77-L80 HydrophobicContact CG2-CD1 4.36Å; T77-L80 VanDerWaalsContact O-CB 3.28Å; T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 VanDerWaalsContact O-CG 3.29Å; T77-L80 WeakPolarHBondContact O-CG 3.31Å; T77-L80 PolarHBondContact O-N 2.75Å; L80-G82 PolarHBondContact O-N 3.16Å; L80-E83 HydrophobicContact CB-CB 4.32Å; L80-E83 HydrophobicContact CB-CG 3.81Å; L80-E83 PolarHBondContact O-N 2.95Å
81Q96.6Very high96.4Very high202 Ų20280 Ų8094%0.94447%0.467SS*.THydrogen-bonded Turntrans-62.9125.3179.2-175.3176.511.900110.5E83Q81-E83 VanDerWaalsContact C-N 3.31Å
82G95.4Very high96.4Very high84 Ų8479.9 Ų79.987%0.86646%0.455SS*.THydrogen-bonded Turntrans85.6-4.5179.800000114.9L80L80-G82 PolarHBondContact O-N 3.16Å
83E96.4Very high96.4Very high113 Ų11372.1 Ų72.153%0.52843%0.426SS..  trans-87.1152.9175-68-65.3147.700111.9T77 L80 Q81T77-E83 WeakPolarHBondContact O-CB 2.93Å; L80-E83 HydrophobicContact CB-CB 4.32Å; L80-E83 HydrophobicContact CB-CG 3.81Å; L80-E83 PolarHBondContact O-N 2.95Å; Q81-E83 VanDerWaalsContact C-N 3.31Å
84G94.4Very high96.4Very high58 Ų5875.5 Ų75.560%0.59844%0.442SS*.  trans-107.8176.5178.200000113.9A86G84-A86 PolarHBondContact O-N 2.81Å
85G93.4Very high96.5Very high33 Ų3378.1 Ų78.134%0.3445%0.45SS..  trans7714.1168.800000115.9S87 D88 R89G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3Å; G85-D88 PolarHBondContact O-N 2.9Å; G85-R89 VanDerWaalsContact O-CG 3.26Å; G85-R89 WeakPolarHBondContact O-CG 3.33Å; G85-R89 PolarHBondContact O-N 2.96Å
86A95.7Very high96.5Very high30 Ų3073.2 Ų73.225%0.24843%0.427CS..Hα-helixtrans-56.1-42.2176.600000112.6N79 G84 D88 R89 T90N79-A86 WeakPolarHBondContact OD1-CB 3.48Å; G84-A86 PolarHBondContact O-N 2.81Å; A86-D88 PolarHBondContact O-N 2.97Å; A86-R89 PolarHBondContact O-N 3.43Å; A86-T90 VanDerWaalsContact O-CG2 3.28Å; A86-T90 WeakPolarHBondContact O-CG2 3.33Å; A86-T90 PolarHBondContact O-N 2.82Å; A86-T90 PolarHBondContact O-OG1 3.18Å
87S96.4Very high96.5Very high74 Ų7474.8 Ų74.852%0.51743%0.432SS..Hα-helixtrans-56.8-51.217951.30000111.9G85 R89 T90 V91G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 2.84Å; S87-T90 PolarHBondContact O-N 2.86Å; S87-T90 VanDerWaalsContact O-N 3.14Å; S87-T90 PolarHBondContact O-OG1 3.28Å; S87-V91 PolarHBondContact O-N 2.91Å
88D95.4Very high96.6Very high94 Ų9479.7 Ų79.750%0.50344%0.441SS..Hα-helixtrans-65.2-43.2-174.8-54.8-18.7000109.8G85 A86 T90 V91 E92G85-D88 PolarHBondContact O-N 2.9Å; A86-D88 PolarHBondContact O-N 2.97Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3Å; D88-V91 PolarHBondContact O-N 3.37Å; D88-V91 VanDerWaalsContact O-N 3.16Å; D88-E92 VanDerWaalsContact O-CG 3.27Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.51Å
89R96.2Very high96.7Very high95 Ų9580.9 Ų80.936%0.35844%0.444SS..Hα-helixtrans-61.9-36.9176.6-61.7-64.3131.591.11.2112.3G85 A86 S87 E92 D93 R116G85-R89 VanDerWaalsContact O-CG 3.26Å; G85-R89 WeakPolarHBondContact O-CG 3.33Å; G85-R89 PolarHBondContact O-N 2.96Å; A86-R89 PolarHBondContact O-N 3.43Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 2.84Å; R89-E92 WeakPolarHBondContact CD-OE2 3.29Å; R89-E92 IonicContact CZ-OE1 2.65Å; R89-E92 IonicContact NE-OE1 3.48Å; R89-E92 PolarHBondContact NE-OE1 2.86Å; R89-E92 VanDerWaalsContact NE-OE1 3.14Å; R89-E92 IonicContact NE-OE2 2.83Å; R89-E92 PolarHBondContact NE-OE2 2.88Å; R89-E92 IonicContact NH2-OE1 3.32Å; R89-D93 VanDerWaalsContact O-CB 3.24Å; R89-D93 WeakPolarHBondContact O-CB 2.93Å; R89-D93 PolarHBondContact O-N 3.39Å; R89-R116 PolarHBondContact O-NH2 2.72Å
90T96.9Very high96.7Very high64 Ų6475.2 Ų75.239%0.39341%0.414SS..Hα-helixtrans-68.2-38.4175.559.20000112.8A86 S87 D88 D93 M94A86-T90 VanDerWaalsContact O-CG2 3.28Å; A86-T90 WeakPolarHBondContact O-CG2 3.33Å; A86-T90 PolarHBondContact O-N 2.82Å; A86-T90 PolarHBondContact O-OG1 3.18Å; S87-T90 PolarHBondContact O-N 2.86Å; S87-T90 VanDerWaalsContact O-N 3.14Å; S87-T90 PolarHBondContact O-OG1 3.28Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3Å; T90-D93 PolarHBondContact O-N 2.85Å; T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å
91V97.9Very high96.7Very high100 Ų10076.4 Ų76.461%0.60642%0.415SS*.Hα-helixtrans-66.7-46.9176.2174.20000110.3S87 D88 D93 M94 F95S87-V91 PolarHBondContact O-N 2.91Å; D88-V91 PolarHBondContact O-N 3.37Å; D88-V91 VanDerWaalsContact O-N 3.16Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 2.97Å; V91-M94 PolarHBondContact O-N 2.83Å; V91-F95 PolarHBondContact O-N 3.2Å
92E97.1Very high96.7Very high40 Ų4069.1 Ų69.119%0.18739%0.394CS..Hα-helixtrans-54.6-47.7174-69.7169.4-16000111D88 R89 M94 F95 V96 R116 Y151D88-E92 VanDerWaalsContact O-CG 3.27Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.51Å; R89-E92 WeakPolarHBondContact CD-OE2 3.29Å; R89-E92 IonicContact CZ-OE1 2.65Å; R89-E92 IonicContact NE-OE1 3.48Å; R89-E92 PolarHBondContact NE-OE1 2.86Å; R89-E92 VanDerWaalsContact NE-OE1 3.14Å; R89-E92 IonicContact NE-OE2 2.83Å; R89-E92 PolarHBondContact NE-OE2 2.88Å; R89-E92 IonicContact NH2-OE1 3.32Å; E92-M94 PolarHBondContact O-N 2.81Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 3.19Å; E92-V96 WeakPolarHBondContact O-CB 3.38Å; E92-V96 VanDerWaalsContact O-CG2 3.29Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.48Å; E92-R116 IonicContact OE2-CZ 3.14Å; E92-R116 IonicContact OE2-NE 2.76Å; E92-R116 PolarHBondContact OE2-NE 2.9Å; E92-R116 IonicContact OE2-NH2 3.45Å; E92-R116 PolarHBondContact OE2-NH2 2.95Å; E92-Y151 HydrophobicContact CB-CE1 4.23Å; E92-Y151 HydrophobicContact CG-CD1 4.22Å; E92-Y151 HydrophobicContact CG-CE1 3.66Å
93D97.5Very high96.7Very high6 Ų666.7 Ų66.73%0.03236%0.362CS..Hα-helixtrans-62.6-40.8-180-85.20000113.6S74 R89 T90 V91 F95 R97 I114 R116S74-D93 WeakPolarHBondContact CB-OD2 3.25Å; S74-D93 PolarHBondContact OG-OD2 3.29Å; R89-D93 VanDerWaalsContact O-CB 3.24Å; R89-D93 WeakPolarHBondContact O-CB 2.93Å; R89-D93 PolarHBondContact O-N 3.39Å; T90-D93 PolarHBondContact O-N 2.85Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 2.97Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.14Å; D93-R97 PolarHBondContact O-N 3.04Å; D93-R97 VanDerWaalsContact O-N 3.09Å; D93-I114 HydrophobicContact CB-CD1 4.16Å; D93-R116 IonicContact OD1-CZ 3.33Å; D93-R116 IonicContact OD1-NH1 2.78Å; D93-R116 PolarHBondContact OD1-NH1 3.39Å; D93-R116 IonicContact OD1-NH2 3.11Å; D93-R116 PolarHBondContact OD1-NH2 3.42Å; D93-R116 IonicContact OD2-NH1 3.95Å; D93-R116 PolarHBondContact OD2-NH1 2.94Å
94M98Very high96.7Very high110 Ų11061.3 Ų61.354%0.54234%0.337SS..Hα-helixtrans-66.9-39.7175.8-75.1-171.47100111.3T90 V91 E92 R98T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å; V91-M94 PolarHBondContact O-N 2.83Å; E92-M94 PolarHBondContact O-N 2.81Å; M94-R98 WeakPolarHBondContact O-CG 3.48Å; M94-R98 PolarHBondContact O-N 3.24Å; M94-R98 VanDerWaalsContact O-N 3.15Å
95F98.1Very high96.6Very high79 Ų7964.3 Ų64.335%0.34634%0.335SS..Hα-helixtrans-62.9-52.4175.2176.6-92000111.1V91 E92 D93 R97 R98 F99 L147 F150 Y151V91-F95 PolarHBondContact O-N 3.2Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 3.19Å; D93-F95 VanDerWaalsContact C-N 3.35Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.81Å; F95-R98 PolarHBondContact O-N 3.11Å; F95-R98 VanDerWaalsContact O-N 3.1Å; F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.2Å; F95-F99 HydrophobicContact CE1-CG 4.42Å; F95-F99 HydrophobicContact CZ-CB 4.5Å; F95-F99 VanDerWaalsContact O-CB 3.31Å; F95-F99 WeakPolarHBondContact O-CB 3.31Å; F95-F99 PolarHBondContact O-N 2.93Å; F95-L147 HydrophobicContact CE1-CD2 3.94Å; F95-F150 HydrophobicContact CE1-CD1 4.38Å; F95-F150 HydrophobicContact CE1-CE1 4.24Å; F95-F150 HydrophobicContact CZ-CE1 4.38Å; F95-Y151 WeakPolarHBondContact CB-OH 3.49Å; F95-Y151 HydrophobicContact CD1-CE2 4.18Å; F95-Y151 AromaticContact CD1-CZ 3.91Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.47Å; F95-Y151 HydrophobicContact CE1-CE2 4.46Å; F95-Y151 WeakPolarHBondContact CG-OH 2.98Å
96V97.8Very high96.6Very high0 Ų067.2 Ų67.20%034%0.343CS..Hα-helixtrans-56.6-44.4-179.3170.30000110.9E92 R98 F99 I100 I114 L121 V123 Y151E92-V96 WeakPolarHBondContact O-CB 3.38Å; E92-V96 VanDerWaalsContact O-CG2 3.29Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.48Å; V96-R98 PolarHBondContact O-N 3.18Å; V96-F99 PolarHBondContact O-N 2.94Å; V96-I100 HydrophobicContact CG1-CD1 3.47Å; V96-I100 VanDerWaalsContact CG1-CD1 3.47Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CB 3.26Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 WeakPolarHBondContact O-CG1 3.44Å; V96-I100 PolarHBondContact O-N 2.87Å; V96-I114 HydrophobicContact CB-CD1 4.21Å; V96-I114 HydrophobicContact CG1-CD1 4Å; V96-I114 HydrophobicContact CG1-CG1 4.49Å; V96-L121 HydrophobicContact CG2-CD2 4.29Å; V96-V123 HydrophobicContact CG1-CG2 3.99Å; V96-Y151 HydrophobicContact CG2-CE2 3.92Å
97R98Very high96.5Very high72 Ų7266 Ų6627%0.27233%0.332SS..Hα-helixtrans-61.2-44.7176.8-74.6-175.9-177.397.34.4112.8L73 D93 F95 F101 I114L73-R97 PolarHBondContact O-NH2 3.42Å; D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.14Å; D93-R97 PolarHBondContact O-N 3.04Å; D93-R97 VanDerWaalsContact O-N 3.09Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.81Å; R97-F101 VanDerWaalsContact O-CB 3.26Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 PolarHBondContact O-N 2.83Å; R97-I114 HydrophobicContact CG-CD1 4.17Å
98R97.7Very high96.4Very high186 Ų18664.2 Ų64.270%0.70232%0.317SS*.Hα-helixtrans-67.9-41.7178.8-72.8179.6177.9-149.81.1111.7M94 F95 V96 F101 G102M94-R98 WeakPolarHBondContact O-CG 3.48Å; M94-R98 PolarHBondContact O-N 3.24Å; M94-R98 VanDerWaalsContact O-N 3.15Å; F95-R98 PolarHBondContact O-N 3.11Å; F95-R98 VanDerWaalsContact O-N 3.1Å; V96-R98 PolarHBondContact O-N 3.18Å; R98-F101 PolarHBondContact O-N 3.42Å; R98-G102 PolarHBondContact O-N 3.47Å
99F97.7Very high96.4Very high33 Ų3359.8 Ų59.815%0.14529%0.293CS..Hα-helixtrans-59.6-54.4177.4177.8-107.3000110.5F95 V96 F101 G102 T103 Y142 T143 L146 L147F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.2Å; F95-F99 HydrophobicContact CE1-CG 4.42Å; F95-F99 HydrophobicContact CZ-CB 4.5Å; F95-F99 VanDerWaalsContact O-CB 3.31Å; F95-F99 WeakPolarHBondContact O-CB 3.31Å; F95-F99 PolarHBondContact O-N 2.93Å; V96-F99 PolarHBondContact O-N 2.94Å; F99-F101 VanDerWaalsContact C-N 3.33Å; F99-F101 PolarHBondContact O-N 3.35Å; F99-G102 WeakPolarHBondContact O-CA 3.5Å; F99-G102 PolarHBondContact O-N 2.96Å; F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 2.65Å; F99-Y142 HydrophobicContact CE2-CE1 4.41Å; F99-Y142 AromaticContact CZ-CE1 3.86Å; F99-Y142 HydrophobicContact CZ-CE1 3.86Å; F99-T143 HydrophobicContact CE1-CG2 3.6Å; F99-T143 HydrophobicContact CZ-CG2 4.13Å; F99-L146 HydrophobicContact CE2-CD1 4.46Å; F99-L146 HydrophobicContact CE2-CD2 4.33Å; F99-L146 HydrophobicContact CZ-CD1 4.29Å; F99-L146 HydrophobicContact CZ-CD2 4.1Å; F99-L147 HydrophobicContact CD1-CD1 4.09Å; F99-L147 HydrophobicContact CD1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CG 4.24Å; F99-L147 HydrophobicContact CE1-CD1 4.05Å; F99-L147 HydrophobicContact CE1-CD2 3.97Å; F99-L147 HydrophobicContact CE1-CG 3.93Å
100I97.4Very high96.4Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-62.4-40.8-179.9-62.9162.5000111.4V96 G102 T103 F104 L108 V112 V123V96-I100 HydrophobicContact CG1-CD1 3.47Å; V96-I100 VanDerWaalsContact CG1-CD1 3.47Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CB 3.26Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 WeakPolarHBondContact O-CG1 3.44Å; V96-I100 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact C-N 3.26Å; I100-G102 PolarHBondContact O-N 3.42Å; I100-T103 PolarHBondContact O-N 3.2Å; I100-F104 HydrophobicContact CG2-CD2 3.79Å; I100-F104 HydrophobicContact CG2-CE2 4.42Å; I100-F104 WeakPolarHBondContact O-CB 3.44Å; I100-F104 PolarHBondContact O-N 3.37Å; I100-L108 HydrophobicContact CG2-CD1 4.16Å; I100-L108 HydrophobicContact CG2-CD2 4.12Å; I100-V112 HydrophobicContact CB-CG2 4.38Å; I100-V112 HydrophobicContact CD1-CG1 3.81Å; I100-V112 HydrophobicContact CD1-CG2 4.27Å; I100-V112 HydrophobicContact CG2-CG2 3.89Å; I100-V123 HydrophobicContact CD1-CG1 3.26Å; I100-V123 HydrophobicContact CG1-CG1 4.5Å
101F96.7Very high96.3Very high132 Ų13259 Ų5958%0.57929%0.291SS*.Hα-helixtrans-60.6-36.6175.9-178.3-97.3000112.4R97 R98 F99 L108R97-F101 VanDerWaalsContact O-CB 3.26Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 PolarHBondContact O-N 2.83Å; R98-F101 PolarHBondContact O-N 3.42Å; F99-F101 VanDerWaalsContact C-N 3.33Å; F99-F101 PolarHBondContact O-N 3.35Å; F101-L108 HydrophobicContact CB-CD1 4.45Å; F101-L108 HydrophobicContact CD2-CD1 4.31Å
102G96.3Very high96.2Very high49 Ų4954.6 Ų54.651%0.50526%0.264SS..Hα-helixtrans-73.8-48.5174.800000113.2R98 F99 I100 F104R98-G102 PolarHBondContact O-N 3.47Å; F99-G102 WeakPolarHBondContact O-CA 3.5Å; F99-G102 PolarHBondContact O-N 2.96Å; I100-G102 VanDerWaalsContact C-N 3.26Å; I100-G102 PolarHBondContact O-N 3.42Å; G102-F104 PolarHBondContact O-N 3.36Å
103T96.2Very high96.3Very high32 Ų3254.8 Ų54.820%0.19627%0.268CS..Hα-helixtrans-64.5-40.9-178-52.30000112F99 I100 L139 Y142 T143F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 2.65Å; I100-T103 PolarHBondContact O-N 3.2Å; T103-L139 HydrophobicContact CG2-CD2 3.97Å; T103-Y142 HydrophobicContact CG2-CD1 4.19Å; T103-Y142 HydrophobicContact CG2-CE1 4.15Å; T103-T143 HydrophobicContact CG2-CG2 3.82Å
104F95.4Very high96.3Very high1 Ų154.5 Ų54.50%0.00427%0.266CS..THydrogen-bonded Turntrans-107.161.1-178.6-62.5-77.8000111.5I100 G102 N106 C107 M127 L136 L139 I140 T143 M157I100-F104 HydrophobicContact CG2-CD2 3.79Å; I100-F104 HydrophobicContact CG2-CE2 4.42Å; I100-F104 WeakPolarHBondContact O-CB 3.44Å; I100-F104 PolarHBondContact O-N 3.37Å; G102-F104 PolarHBondContact O-N 3.36Å; F104-N106 PolarHBondContact O-N 3.07Å; F104-C107 HydrophobicContact CB-CB 4.27Å; F104-C107 PolarHBondContact O-N 3.16Å; F104-M127 HydrophobicContact CB-CE 3.54Å; F104-M127 HydrophobicContact CD1-CE 3.09Å; F104-M127 HydrophobicContact CD2-CE 3.8Å; F104-M127 HydrophobicContact CE1-CE 3.54Å; F104-M127 HydrophobicContact CE2-CE 4.2Å; F104-M127 HydrophobicContact CG-CE 3.19Å; F104-M127 HydrophobicContact CZ-CE 4.07Å; F104-L136 HydrophobicContact CD1-CD2 4.47Å; F104-L136 HydrophobicContact CE1-CD2 4.4Å; F104-L139 HydrophobicContact CD1-CB 4.27Å; F104-L139 HydrophobicContact CD1-CD1 3.88Å; F104-L139 HydrophobicContact CE1-CB 3.39Å; F104-L139 HydrophobicContact CE1-CD1 3.84Å; F104-L139 HydrophobicContact CE1-CG 4.27Å; F104-L139 HydrophobicContact CZ-CB 3.72Å; F104-I140 HydrophobicContact CZ-CG1 4.45Å; F104-T143 HydrophobicContact CE2-CG2 3.84Å; F104-T143 HydrophobicContact CZ-CG2 4.24Å; F104-M157 HydrophobicContact CE2-CE 3.94Å; F104-M157 HydrophobicContact CZ-CE 4.39Å
105H93.3Very high96.3Very high121 Ų12152.1 Ų52.156%0.5625%0.253SS*.THydrogen-bonded Turntrans-56.1126-176.2-17170.9000112.4C107H105-C107 PolarHBondContact O-N 3.14Å; H105-C107 PolarHBondContact O-SG 3.37Å
106N91.9Very high96.3Very high94 Ų9450 Ų5050%0.50324%0.242SC..THydrogen-bonded Turntrans54.711.8-179.7-67-25.5000116.3F104 K130F104-N106 PolarHBondContact O-N 3.07Å; N106-K130 WeakPolarHBondContact O-CD 3.34Å; N106-K130 WeakPolarHBondContact O-CE 3.36Å; N106-K130 PolarHBondContact O-NZ 3.47Å
107C93.9Very high96.2Very high4 Ų458.7 Ų58.73%0.02728%0.275CS..THydrogen-bonded Turntrans-96.6-19.9179.8-63.90000112.3F104 H105 A109 M127 L128 L131F104-C107 HydrophobicContact CB-CB 4.27Å; F104-C107 PolarHBondContact O-N 3.16Å; H105-C107 PolarHBondContact O-N 3.14Å; H105-C107 PolarHBondContact O-SG 3.37Å; C107-A109 PolarHBondContact O-N 2.95Å; C107-M127 HydrophobicContact CB-CE 4.45Å; C107-M127 CarbonylContact O-C 3.56Å; C107-M127 VanDerWaalsContact O-CA 3.25Å; C107-M127 WeakPolarHBondContact O-CA 3.47Å; C107-L128 PolarHBondContact O-N 3.35Å; C107-L131 WeakPolarHBondContact SG-CD1 3.48Å
108L95.4Very high95.9Very high36 Ų3659 Ų5919%0.18830%0.301CS..BIsolated β-bridgetrans-72.2123.6178.3-66.3174.2000111.5I100 F101 V112 A125 M127I100-L108 HydrophobicContact CG2-CD1 4.16Å; I100-L108 HydrophobicContact CG2-CD2 4.12Å; F101-L108 HydrophobicContact CB-CD1 4.45Å; F101-L108 HydrophobicContact CD2-CD1 4.31Å; L108-V112 HydrophobicContact CD1-CG2 4.12Å; L108-V112 HydrophobicContact CD2-CG2 4.27Å; L108-A125 HydrophobicContact CD2-CB 4.09Å; L108-M127 HydrophobicContact CD2-CE 4.43Å
109A95.1Very high95.8Very high2 Ų255.6 Ų55.62%0.01730%0.297CS..SBendtrans-80.1-39174.300000111.6C107 L126 L128 L162 K165C107-A109 PolarHBondContact O-N 2.95Å; A109-L126 HydrophobicContact CB-CB 4.29Å; A109-L126 PolarHBondContact N-O 3.32Å; A109-L128 HydrophobicContact CB-CD2 3.81Å; A109-L128 HydrophobicContact CB-CG 3.94Å; A109-L162 HydrophobicContact CB-CD1 4.07Å; A109-K165 WeakPolarHBondContact O-CE 3.34Å
110N95.1Very high95.8Very high39 Ų3958 Ų5821%0.20931%0.31CS..SBendtrans-134.9175.6-178.3-79.9-26.5000111.2T56 L126T56-N110 WeakPolarHBondContact CB-OD1 3.27Å; T56-N110 VanDerWaalsContact CG2-OD1 3.23Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.38Å; N110-L126 HydrophobicContact CB-CB 4.26Å; N110-L126 HydrophobicContact CB-CD1 3.97Å; N110-L126 VanDerWaalsContact ND2-CD1 3.33Å; N110-L126 WeakPolarHBondContact ND2-CD1 3.24Å
111E95.2Very high95.8Very high104 Ų10458.3 Ų58.349%0.48631%0.311SS..PPolyproline II helixtrans-64.2148.7172.5-62.4-173.2-166.500111.3L73L73-E111 HydrophobicContact CD1-CB 4.01Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.47Å
112V97.1Very high95.9Very high7 Ų752.4 Ų52.44%0.04229%0.286CS..PPolyproline II helixtrans-75.9136-178-179.10000110.4I100 L108 I114 V123I100-V112 HydrophobicContact CB-CG2 4.38Å; I100-V112 HydrophobicContact CD1-CG1 3.81Å; I100-V112 HydrophobicContact CD1-CG2 4.27Å; I100-V112 HydrophobicContact CG2-CG2 3.89Å; L108-V112 HydrophobicContact CD1-CG2 4.12Å; L108-V112 HydrophobicContact CD2-CG2 4.27Å; V112-I114 HydrophobicContact CG1-CG1 4.3Å; V112-V123 HydrophobicContact CG1-CG1 3.62Å
113V98.2Very high96Very high44 Ų4450.1 Ų50.127%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-101.7124.1174.6-179.20000109.3L73 K115 C124L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.6Å; L73-V113 WeakPolarHBondContact O-CA 3.33Å; V113-K115 HydrophobicContact CG1-CG 4.4Å; V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 2.76Å; V113-C124 PolarHBondContact O-N 3.41Å
114I98.2Very high96Very high0 Ų049.6 Ų49.60%026%0.26CS..EExtended strand (participates in β ladder)trans-109.7129.2-178.4-54.6174.8000108.6L73 S74 Q75 D93 V96 R97 V112 L121L73-I114 PolarHBondContact O-N 2.81Å; S74-I114 CarbonylContact C-O 3.44Å; S74-I114 WeakPolarHBondContact CA-O 3.23Å; Q75-I114 PolarHBondContact N-O 3.27Å; D93-I114 HydrophobicContact CB-CD1 4.16Å; V96-I114 HydrophobicContact CB-CD1 4.21Å; V96-I114 HydrophobicContact CG1-CD1 4Å; V96-I114 HydrophobicContact CG1-CG1 4.49Å; R97-I114 HydrophobicContact CG-CD1 4.17Å; V112-I114 HydrophobicContact CG1-CG1 4.3Å; I114-L121 HydrophobicContact CG2-CD1 3.68Å
115K98.1Very high96.1Very high59 Ų5949.7 Ų49.726%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-125.6124.2177.6-58.4171.6-175.4164.10108.6V113 V122V113-K115 HydrophobicContact CG1-CG 4.4Å; K115-V122 HydrophobicContact CB-CB 4.28Å; K115-V122 PolarHBondContact N-O 3.27Å; K115-V122 PolarHBondContact O-N 2.99Å
116R97.2Very high96.3Very high35 Ų3546.2 Ų46.213%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-101.8123.3169.8-69.5-174-179.975.1-1.7109.6Q75 H76 R89 E92 D93 L121Q75-R116 PolarHBondContact O-N 3.44Å; H76-R116 HydrophobicContact CB-CB 4.35Å; R89-R116 PolarHBondContact O-NH2 2.72Å; E92-R116 IonicContact OE2-CZ 3.14Å; E92-R116 IonicContact OE2-NE 2.76Å; E92-R116 PolarHBondContact OE2-NE 2.9Å; E92-R116 IonicContact OE2-NH2 3.45Å; E92-R116 PolarHBondContact OE2-NH2 2.95Å; D93-R116 IonicContact OD1-CZ 3.33Å; D93-R116 IonicContact OD1-NH1 2.78Å; D93-R116 PolarHBondContact OD1-NH1 3.39Å; D93-R116 IonicContact OD1-NH2 3.11Å; D93-R116 PolarHBondContact OD1-NH2 3.42Å; D93-R116 IonicContact OD2-NH1 3.95Å; D93-R116 PolarHBondContact OD2-NH1 2.94Å; R116-L121 HydrophobicContact CG-CD1 3.84Å
117R95.5Very high96.4Very high182 Ų18241.8 Ų41.869%0.68722%0.222SC*.EExtended strand (participates in β ladder)trans-121.393.7175.9-68.4-175.1175.4-174.1-1.4108.3N119 M120R117-N119 PolarHBondContact O-N 3.15Å; R117-M120 PolarHBondContact N-O 3.22Å; R117-M120 PolarHBondContact O-N 3.14Å
118G93.2Very high96.5Very high79 Ų7942.5 Ų42.581%0.81423%0.226SC*.THydrogen-bonded Turntrans57.4-124.2-169.900000110.7M120G118-M120 VanDerWaalsContact C-N 3.32Å
119N95.3Very high96.4Very high115 Ų11546.7 Ų46.762%0.61524%0.244SC*.THydrogen-bonded Turntrans-78.5-10.9177.7-164.127.5000113.8R117 C153 P154R117-N119 PolarHBondContact O-N 3.15Å; N119-C153 WeakPolarHBondContact O-CB 3.42Å; N119-C153 WeakPolarHBondContact OD1-CB 3.22Å; N119-P154 WeakPolarHBondContact O-CD 3.37Å
120M96.8Very high96.2Very high84 Ų8452.8 Ų52.841%0.41427%0.27SS..EExtended strand (participates in β ladder)trans-87.9127.9-177-171178.4-72.100111.8R117 G118 V122 P154R117-M120 PolarHBondContact N-O 3.22Å; R117-M120 PolarHBondContact O-N 3.14Å; G118-M120 VanDerWaalsContact C-N 3.32Å; M120-V122 HydrophobicContact CG-CG2 4Å; M120-V122 HydrophobicContact SD-CG2 4.04Å; M120-P154 WeakPolarHBondContact CA-O 3.37Å; M120-P154 HydrophobicContact CB-CG 4.37Å
121L97.8Very high96.1Very high6 Ų653.6 Ų53.63%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-97.2112.2171.1-177.377.3000109V96 I114 R116 V123 P154 V155 K156V96-L121 HydrophobicContact CG2-CD2 4.29Å; I114-L121 HydrophobicContact CG2-CD1 3.68Å; R116-L121 HydrophobicContact CG-CD1 3.84Å; L121-V123 HydrophobicContact CD2-CG2 4.17Å; L121-V123 HydrophobicContact CG-CG2 4.18Å; L121-P154 PolarHBondContact N-O 3.33Å; L121-V155 HydrophobicContact CB-CG1 4.46Å; L121-V155 HydrophobicContact CB-CG2 4.13Å; L121-V155 HydrophobicContact CD2-CG1 3.97Å; L121-V155 HydrophobicContact CD2-CG2 3.95Å; L121-V155 HydrophobicContact CG-CG1 4.45Å; L121-V155 CarbonylContact O-C 3.59Å; L121-V155 WeakPolarHBondContact O-CA 3.28Å; L121-K156 PolarHBondContact O-N 2.98Å
122V98.3Very high96.1Very high8 Ų851.5 Ų51.55%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-104.9119.6175.3-173.80000109.1K115 M120 K156 E158K115-V122 HydrophobicContact CB-CB 4.28Å; K115-V122 PolarHBondContact N-O 3.27Å; K115-V122 PolarHBondContact O-N 2.99Å; M120-V122 HydrophobicContact CG-CG2 4Å; M120-V122 HydrophobicContact SD-CG2 4.04Å; V122-K156 WeakPolarHBondContact CA-O 3.48Å; V122-E158 HydrophobicContact CG1-CG 3.93Å
123V98.1Very high96Very high0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-107.4113.1179.4176.60000108.4V96 I100 V112 L121 V155 K156 M157 E158V96-V123 HydrophobicContact CG1-CG2 3.99Å; I100-V123 HydrophobicContact CD1-CG1 3.26Å; I100-V123 HydrophobicContact CG1-CG1 4.5Å; V112-V123 HydrophobicContact CG1-CG1 3.62Å; L121-V123 HydrophobicContact CD2-CG2 4.17Å; L121-V123 HydrophobicContact CG-CG2 4.18Å; V123-V155 HydrophobicContact CG2-CG1 4.46Å; V123-K156 PolarHBondContact N-O 2.78Å; V123-M157 HydrophobicContact CB-SD 3.47Å; V123-M157 WeakPolarHBondContact CB-SD 3.33Å; V123-M157 HydrophobicContact CG1-CE 4.15Å; V123-M157 HydrophobicContact CG1-SD 3.44Å; V123-M157 WeakPolarHBondContact CG1-SD 3.49Å; V123-M157 HydrophobicContact CG2-SD 4.19Å; V123-M157 WeakPolarHBondContact O-CA 3.49Å; V123-E158 PolarHBondContact O-N 3.48Å
124C98.1Very high95.9Very high22 Ų2260.9 Ų60.915%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-100.1124.6177.9-52.90000110.2V113 E158V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 2.76Å; V113-C124 PolarHBondContact O-N 3.41Å; C124-E158 CarbonylContact C-O 3.44Å; C124-E158 VanDerWaalsContact CA-O 3.28Å; C124-E158 WeakPolarHBondContact CA-O 3.17Å
125A96.8Very high95.8Very high3 Ų367 Ų673%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-126.1132.5179.900000111.9L108 M127 E158 V159 Q160L108-A125 HydrophobicContact CD2-CB 4.09Å; A125-M127 HydrophobicContact CB-CG 4.21Å; A125-E158 PolarHBondContact N-O 2.65Å; A125-V159 WeakPolarHBondContact O-CA 3.26Å; A125-Q160 PolarHBondContact O-N 3.12Å
126L96.8Very high95.6Very high48 Ų4865 Ų6525%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-92.4118.7167.8-65.2179.8000108.8A109 N110 Q160 L162A109-L126 HydrophobicContact CB-CB 4.29Å; A109-L126 PolarHBondContact N-O 3.32Å; N110-L126 HydrophobicContact CB-CB 4.26Å; N110-L126 HydrophobicContact CB-CD1 3.97Å; N110-L126 VanDerWaalsContact ND2-CD1 3.33Å; N110-L126 WeakPolarHBondContact ND2-CD1 3.24Å; L126-Q160 WeakPolarHBondContact CA-O 3.33Å; L126-Q160 HydrophobicContact CD2-CB 3.8Å; L126-Q160 HydrophobicContact CD2-CG 4Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; L126-L162 HydrophobicContact CB-CD1 4.34Å
127M95.6Very high95.6Very high0 Ų071.6 Ų71.60%036%0.362CS..EExtended strand (participates in β ladder)trans-120.4146.4-171.4-57.6-171.8111.200112.3F104 C107 L108 A125 L136 V159 Q160 T161 L162F104-M127 HydrophobicContact CB-CE 3.54Å; F104-M127 HydrophobicContact CD1-CE 3.09Å; F104-M127 HydrophobicContact CD2-CE 3.8Å; F104-M127 HydrophobicContact CE1-CE 3.54Å; F104-M127 HydrophobicContact CE2-CE 4.2Å; F104-M127 HydrophobicContact CG-CE 3.19Å; F104-M127 HydrophobicContact CZ-CE 4.07Å; C107-M127 HydrophobicContact CB-CE 4.45Å; C107-M127 CarbonylContact O-C 3.56Å; C107-M127 VanDerWaalsContact O-CA 3.25Å; C107-M127 WeakPolarHBondContact O-CA 3.47Å; L108-M127 HydrophobicContact CD2-CE 4.43Å; A125-M127 HydrophobicContact CB-CG 4.21Å; M127-L136 HydrophobicContact CE-CD2 4.48Å; M127-L136 HydrophobicContact SD-CD2 4.31Å; M127-V159 HydrophobicContact CB-CG1 4.19Å; M127-V159 HydrophobicContact CG-CG1 3.78Å; M127-V159 HydrophobicContact SD-CB 4.2Å; M127-V159 HydrophobicContact SD-CG1 3.33Å; M127-V159 WeakPolarHBondContact SD-CG1 3.36Å; M127-V159 HydrophobicContact SD-CG2 3.78Å; M127-Q160 PolarHBondContact N-O 2.87Å; M127-T161 CarbonylContact O-C 3.55Å; M127-T161 VanDerWaalsContact O-CA 3.26Å; M127-T161 WeakPolarHBondContact O-CA 3.37Å; M127-L162 PolarHBondContact O-N 3.34Å
128L95.6Very high95.7Very high20 Ų2069.8 Ų69.811%0.10536%0.359CS..EExtended strand (participates in β ladder)trans-85.1144.9170.5-61173.9000109.8C107 A109 K130 L162C107-L128 PolarHBondContact O-N 3.35Å; A109-L128 HydrophobicContact CB-CD2 3.81Å; A109-L128 HydrophobicContact CB-CG 3.94Å; L128-K130 HydrophobicContact CB-CD 4.46Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 PolarHBondContact O-N 3.09Å; L128-L162 WeakPolarHBondContact CA-O 3.25Å
129Q93.1Very high95.9Very high124 Ų12467.7 Ų67.758%0.57933%0.329SS*.SBendtrans-77.151.9179.8-65.5175.7-8.500112.8T161 L162Q129-T161 HydrophobicContact CG-CG2 4.47Å; Q129-T161 PolarHBondContact NE2-OG1 2.86Å; Q129-T161 VanDerWaalsContact NE2-OG1 3.16Å; Q129-L162 PolarHBondContact N-O 2.95Å; Q129-L162 VanDerWaalsContact N-O 3.16Å
130K91.3Very high96Very high130 Ų13063.4 Ų63.457%0.56531%0.306SS*.  trans-89.1-19.3179.9-66.9-175.4-177.4172.70114.2N106 L128N106-K130 WeakPolarHBondContact O-CD 3.34Å; N106-K130 WeakPolarHBondContact O-CE 3.36Å; N106-K130 PolarHBondContact O-NZ 3.47Å; L128-K130 HydrophobicContact CB-CD 4.46Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 PolarHBondContact O-N 3.09Å
131L91.6Very high96Very high55 Ų5560.8 Ų60.829%0.28830%0.301SS..SBendtrans-112.5147.2-177.7-69.8175.6000110.3C107 L136 L139C107-L131 WeakPolarHBondContact SG-CD1 3.48Å; L131-L136 HydrophobicContact CB-CD1 4.33Å; L131-L136 HydrophobicContact CB-CD2 4.09Å; L131-L136 HydrophobicContact CB-CG 3.88Å; L131-L136 HydrophobicContact CD1-CD2 4.02Å; L131-L139 HydrophobicContact CD1-CD1 4.32Å
132P95Very high96Very high61 Ų6165.3 Ų65.340%0.39632%0.318SS..  trans-64.1148.8172.628.6-34.7000110.2Q134 K135 L136P132-Q134 VanDerWaalsContact C-N 3.26Å; P132-Q134 PolarHBondContact O-N 3.1Å; P132-K135 HydrophobicContact CG-CB 4.18Å; P132-K135 HydrophobicContact CG-CD 3.82Å; P132-K135 HydrophobicContact CG-CG 3.94Å; P132-K135 PolarHBondContact O-N 3.31Å; P132-K135 VanDerWaalsContact O-N 3.11Å; P132-L136 PolarHBondContact O-N 2.93Å
133P94.7Very high96Very high84 Ų8464.9 Ų64.955%0.54532%0.316SS..Hα-helixtrans-59-36.2-173.121.8-33000112.6K135 L136 Y137P133-K135 VanDerWaalsContact C-N 3.34Å; P133-K135 PolarHBondContact O-N 3.4Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.79Å; P133-L136 VanDerWaalsContact O-N 3.14Å; P133-Y137 HydrophobicContact CB-CD2 4.34Å; P133-Y137 HydrophobicContact CB-CE2 4.19Å; P133-Y137 WeakPolarHBondContact O-CD2 3.29Å; P133-Y137 PolarHBondContact O-N 3.06Å
134Q96.4Very high96Very high163 Ų16367.5 Ų67.576%0.76233%0.328SS*.Hα-helixtrans-57.6-44.4178.3-66.1174.4-17.800112.6P132 F138P132-Q134 VanDerWaalsContact C-N 3.26Å; P132-Q134 PolarHBondContact O-N 3.1Å; Q134-F138 WeakPolarHBondContact O-CB 3.5Å; Q134-F138 PolarHBondContact O-N 3.38Å
135K95.8Very high96Very high129 Ų12970.2 Ų70.256%0.56134%0.344SS*.Hα-helixtrans-69.3-37.2177.2-70.8-176.3-177.5179.60111.4P132 P133 F138 L139P132-K135 HydrophobicContact CG-CB 4.18Å; P132-K135 HydrophobicContact CG-CD 3.82Å; P132-K135 HydrophobicContact CG-CG 3.94Å; P132-K135 PolarHBondContact O-N 3.31Å; P132-K135 VanDerWaalsContact O-N 3.11Å; P133-K135 VanDerWaalsContact C-N 3.34Å; P133-K135 PolarHBondContact O-N 3.4Å; K135-F138 PolarHBondContact O-N 3.36Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 WeakPolarHBondContact O-CG 3.19Å; K135-L139 PolarHBondContact O-N 2.97Å
136L95.1Very high96.1Very high17 Ų1772.7 Ų72.79%0.08936%0.356CS..Hα-helixtrans-62.9-49.4176.1-74.3170.5000111.2F104 M127 L131 P132 P133 F138 L139 I140F104-L136 HydrophobicContact CD1-CD2 4.47Å; F104-L136 HydrophobicContact CE1-CD2 4.4Å; M127-L136 HydrophobicContact CE-CD2 4.48Å; M127-L136 HydrophobicContact SD-CD2 4.31Å; L131-L136 HydrophobicContact CB-CD1 4.33Å; L131-L136 HydrophobicContact CB-CD2 4.09Å; L131-L136 HydrophobicContact CB-CG 3.88Å; L131-L136 HydrophobicContact CD1-CD2 4.02Å; P132-L136 PolarHBondContact O-N 2.93Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.79Å; P133-L136 VanDerWaalsContact O-N 3.14Å; L136-F138 VanDerWaalsContact C-N 3.32Å; L136-F138 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 2.81Å; L136-I140 WeakPolarHBondContact O-CB 3.47Å; L136-I140 WeakPolarHBondContact O-CD1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.9Å
137Y96.6Very high96.2Very high174 Ų17470.4 Ų70.468%0.68234%0.344SS*.Hα-helixtrans-61.4-39.5176.8-75.4-65.3000112.6P133 I140 G141P133-Y137 HydrophobicContact CB-CD2 4.34Å; P133-Y137 HydrophobicContact CB-CE2 4.19Å; P133-Y137 WeakPolarHBondContact O-CD2 3.29Å; P133-Y137 PolarHBondContact O-N 3.06Å; Y137-I140 HydrophobicContact CD1-CD1 4.49Å; Y137-I140 PolarHBondContact O-N 3.01Å; Y137-G141 PolarHBondContact O-N 2.99Å
138F97.5Very high96.3Very high143 Ų14371.9 Ų71.963%0.62736%0.355SS*.Hα-helixtrans-59.1-50.3173.3174.2-95.5000111.8Q134 K135 L136 I140 G141 Y142Q134-F138 WeakPolarHBondContact O-CB 3.5Å; Q134-F138 PolarHBondContact O-N 3.38Å; K135-F138 PolarHBondContact O-N 3.36Å; L136-F138 VanDerWaalsContact C-N 3.32Å; L136-F138 PolarHBondContact O-N 3.45Å; F138-I140 VanDerWaalsContact C-N 3.33Å; F138-I140 PolarHBondContact O-N 3.26Å; F138-G141 PolarHBondContact O-N 2.78Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.1Å
139L97.1Very high96.4Very high35 Ų3577.5 Ų77.518%0.18338%0.38CS..Hα-helixtrans-65.1-37.7179.7-70.4175.3000111.9T103 F104 L131 K135 L136 Y142 T143T103-L139 HydrophobicContact CG2-CD2 3.97Å; F104-L139 HydrophobicContact CD1-CB 4.27Å; F104-L139 HydrophobicContact CD1-CD1 3.88Å; F104-L139 HydrophobicContact CE1-CB 3.39Å; F104-L139 HydrophobicContact CE1-CD1 3.84Å; F104-L139 HydrophobicContact CE1-CG 4.27Å; F104-L139 HydrophobicContact CZ-CB 3.72Å; L131-L139 HydrophobicContact CD1-CD1 4.32Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 WeakPolarHBondContact O-CG 3.19Å; K135-L139 PolarHBondContact O-N 2.97Å; L136-L139 PolarHBondContact O-N 2.81Å; L139-Y142 PolarHBondContact O-N 3.44Å; L139-T143 VanDerWaalsContact O-CG2 3.32Å; L139-T143 WeakPolarHBondContact O-CG2 3.47Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.95Å; L139-T143 VanDerWaalsContact O-OG1 3.1Å
140I97.3Very high96.6Very high26 Ų2677.5 Ų77.513%0.13338%0.379CS..Hα-helixtrans-57.1-55.1173.9-71.4164000109.6F104 L136 Y137 F138 Y142 T143 E144 M157 V159F104-I140 HydrophobicContact CZ-CG1 4.45Å; L136-I140 WeakPolarHBondContact O-CB 3.47Å; L136-I140 WeakPolarHBondContact O-CD1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.9Å; Y137-I140 HydrophobicContact CD1-CD1 4.49Å; Y137-I140 PolarHBondContact O-N 3.01Å; F138-I140 VanDerWaalsContact C-N 3.33Å; F138-I140 PolarHBondContact O-N 3.26Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 3.02Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.13Å; I140-T143 PolarHBondContact O-OG1 3.46Å; I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.8Å; I140-M157 HydrophobicContact CG2-CB 4.07Å; I140-V159 HydrophobicContact CD1-CB 4.29Å; I140-V159 HydrophobicContact CD1-CG2 3.84Å; I140-V159 HydrophobicContact CG1-CG2 4.03Å
141G98.1Very high96.9Very high29 Ų2973.7 Ų73.730%0.29936%0.361SS..Hα-helixtrans-61.6-39.3178.600000113.3Y137 F138 E144 T145Y137-G141 PolarHBondContact O-N 2.99Å; F138-G141 PolarHBondContact O-N 2.78Å; G141-E144 PolarHBondContact O-N 3.4Å; G141-T145 WeakPolarHBondContact O-CB 3.32Å; G141-T145 WeakPolarHBondContact O-CG2 3.46Å; G141-T145 PolarHBondContact O-N 2.85Å; G141-T145 PolarHBondContact O-OG1 2.85Å
142Y98.1Very high97.2Very high100 Ų10079 Ų7939%0.39238%0.382SS..Hα-helixtrans-58.6-46.9172.8165-101.7000111.8F99 T103 F138 L139 I140 T145 L146F99-Y142 HydrophobicContact CE2-CE1 4.41Å; F99-Y142 AromaticContact CZ-CE1 3.86Å; F99-Y142 HydrophobicContact CZ-CE1 3.86Å; T103-Y142 HydrophobicContact CG2-CD1 4.19Å; T103-Y142 HydrophobicContact CG2-CE1 4.15Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.1Å; L139-Y142 PolarHBondContact O-N 3.44Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 3.02Å; Y142-T145 PolarHBondContact O-OG1 3.13Å; Y142-T145 VanDerWaalsContact O-OG1 3.12Å; Y142-L146 HydrophobicContact CE1-CD1 4.32Å; Y142-L146 HydrophobicContact CE2-CD1 3.66Å; Y142-L146 VanDerWaalsContact CZ-CD1 3.5Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L146 VanDerWaalsContact OH-CD1 3.25Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.2Å
143T97.9Very high97.3Very high0 Ų077 Ų770%037%0.37CS..Hα-helixtrans-68-41.8-179.954.50000112.7F99 T103 F104 L139 I140 L147 M157F99-T143 HydrophobicContact CE1-CG2 3.6Å; F99-T143 HydrophobicContact CZ-CG2 4.13Å; T103-T143 HydrophobicContact CG2-CG2 3.82Å; F104-T143 HydrophobicContact CE2-CG2 3.84Å; F104-T143 HydrophobicContact CZ-CG2 4.24Å; L139-T143 VanDerWaalsContact O-CG2 3.32Å; L139-T143 WeakPolarHBondContact O-CG2 3.47Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.95Å; L139-T143 VanDerWaalsContact O-OG1 3.1Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.13Å; I140-T143 PolarHBondContact O-OG1 3.46Å; T143-L147 VanDerWaalsContact O-CB 3.24Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 2.95Å; T143-M157 WeakPolarHBondContact OG1-CG 3.18Å
144E98.2Very high97.4Very high55 Ų5576 Ų7626%0.25736%0.363SS..Hα-helixtrans-63.3-48.3178.6-71.7-177.1154.800111.3I140 G141 S148 M157I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.8Å; G141-E144 PolarHBondContact O-N 3.4Å; E144-S148 WeakPolarHBondContact O-CB 3.09Å; E144-S148 PolarHBondContact O-N 3.45Å; E144-S148 PolarHBondContact O-OG 2.88Å; E144-M157 HydrophobicContact CG-CB 3.92Å; E144-M157 HydrophobicContact CG-CG 3.7Å; E144-M157 PolarHBondContact OE1-N 3Å
145T98.4Very high97.5Very high79 Ų7968.9 Ų68.949%0.48533%0.33SS..Hα-helixtrans-65.9-49.6-179.651.90000111.8G141 Y142 S148 H149G141-T145 WeakPolarHBondContact O-CB 3.32Å; G141-T145 WeakPolarHBondContact O-CG2 3.46Å; G141-T145 PolarHBondContact O-N 2.85Å; G141-T145 PolarHBondContact O-OG1 2.85Å; Y142-T145 PolarHBondContact O-OG1 3.13Å; Y142-T145 VanDerWaalsContact O-OG1 3.12Å; T145-S148 PolarHBondContact O-N 3.04Å; T145-H149 PolarHBondContact O-CD2 2.91Å; T145-H149 PolarHBondContact O-N 3.14Å
146L98.3Very high97.6Very high54 Ų5467.3 Ų67.328%0.28332%0.324SS..Hα-helixtrans-61.2-50.5-179.1-174.1157.7000111.4F99 Y142 S148 H149 F150F99-L146 HydrophobicContact CE2-CD1 4.46Å; F99-L146 HydrophobicContact CE2-CD2 4.33Å; F99-L146 HydrophobicContact CZ-CD1 4.29Å; F99-L146 HydrophobicContact CZ-CD2 4.1Å; Y142-L146 HydrophobicContact CE1-CD1 4.32Å; Y142-L146 HydrophobicContact CE2-CD1 3.66Å; Y142-L146 VanDerWaalsContact CZ-CD1 3.5Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L146 VanDerWaalsContact OH-CD1 3.25Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.2Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.38Å; L146-H149 PolarHBondContact O-N 3.22Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 PolarHBondContact O-N 3.35Å
147L98Very high97.7Very high0 Ų067.1 Ų67.10%032%0.322CS..Hα-helixtrans-66.8-34-178.3-65.8177.7000111.4F95 F99 T143 F150 Y151 V155F95-L147 HydrophobicContact CE1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CD1 4.09Å; F99-L147 HydrophobicContact CD1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CG 4.24Å; F99-L147 HydrophobicContact CE1-CD1 4.05Å; F99-L147 HydrophobicContact CE1-CD2 3.97Å; F99-L147 HydrophobicContact CE1-CG 3.93Å; T143-L147 VanDerWaalsContact O-CB 3.24Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 2.95Å; L147-F150 PolarHBondContact O-N 3.01Å; L147-Y151 HydrophobicContact CB-CD2 4.45Å; L147-Y151 HydrophobicContact CD2-CD2 4.38Å; L147-Y151 HydrophobicContact CD2-CE2 4.04Å; L147-Y151 PolarHBondContact O-N 3.41Å; L147-V155 HydrophobicContact CB-CB 4.19Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.2Å
148S98.1Very high97.7Very high32 Ų3262.4 Ų62.422%0.22431%0.307CS..Hα-helixtrans-64.6-42.3174.9-60.20000112.1E144 T145 L146 K152 C153 V155E144-S148 WeakPolarHBondContact O-CB 3.09Å; E144-S148 PolarHBondContact O-N 3.45Å; E144-S148 PolarHBondContact O-OG 2.88Å; T145-S148 PolarHBondContact O-N 3.04Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.38Å; S148-K152 VanDerWaalsContact O-CA 3.25Å; S148-K152 WeakPolarHBondContact O-CA 3.41Å; S148-K152 PolarHBondContact O-N 3.26Å; S148-C153 WeakPolarHBondContact CA-O 3.24Å; S148-C153 WeakPolarHBondContact CB-O 3.46Å; S148-C153 PolarHBondContact O-N 3.41Å; S148-C153 PolarHBondContact OG-O 3.1Å; S148-V155 PolarHBondContact OG-N 3.33Å; S148-V155 VanDerWaalsContact OG-N 3.1Å
149H98.3Very high97.7Very high137 Ų13757.9 Ų57.963%0.63429%0.291SS*.Hα-helixtrans-70.7-31.4175.6-76.1-65.7000113.5T145 L146 K152T145-H149 PolarHBondContact O-CD2 2.91Å; T145-H149 PolarHBondContact O-N 3.14Å; L146-H149 PolarHBondContact O-N 3.22Å; H149-K152 WeakPolarHBondContact O-CD 3.27Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.49Å; H149-K152 PolarHBondContact O-NZ 3.37Å
150F97.7Very high97.6Very high125 Ų12561.9 Ų61.955%0.54831%0.308SS..Hα-helixtrans-74.5-51179.8-173.7-105000111.8F95 L146 L147F95-F150 HydrophobicContact CE1-CD1 4.38Å; F95-F150 HydrophobicContact CE1-CE1 4.24Å; F95-F150 HydrophobicContact CZ-CE1 4.38Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 PolarHBondContact O-N 3.35Å; L147-F150 PolarHBondContact O-N 3.01Å
151Y96.6Very high97.6Very high50 Ų5063.8 Ų63.820%0.19632%0.321CS..Hα-helixtrans-88.3-5.7-178-69.9-58.3000114.6E92 F95 V96 L147 C153E92-Y151 HydrophobicContact CB-CE1 4.23Å; E92-Y151 HydrophobicContact CG-CD1 4.22Å; E92-Y151 HydrophobicContact CG-CE1 3.66Å; F95-Y151 WeakPolarHBondContact CB-OH 3.49Å; F95-Y151 HydrophobicContact CD1-CE2 4.18Å; F95-Y151 AromaticContact CD1-CZ 3.91Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.47Å; F95-Y151 HydrophobicContact CE1-CE2 4.46Å; F95-Y151 WeakPolarHBondContact CG-OH 2.98Å; V96-Y151 HydrophobicContact CG2-CE2 3.92Å; L147-Y151 HydrophobicContact CB-CD2 4.45Å; L147-Y151 HydrophobicContact CD2-CD2 4.38Å; L147-Y151 HydrophobicContact CD2-CE2 4.04Å; L147-Y151 PolarHBondContact O-N 3.41Å; Y151-C153 PolarHBondContact O-N 3.01Å
152K97.7Very high97.4Very high165 Ų16564.5 Ų64.572%0.71732%0.318SS*.THydrogen-bonded Turntrans57.530.6-177.4-48.9-58.6-179.7-166.40113S148 H149S148-K152 VanDerWaalsContact O-CA 3.25Å; S148-K152 WeakPolarHBondContact O-CA 3.41Å; S148-K152 PolarHBondContact O-N 3.26Å; H149-K152 WeakPolarHBondContact O-CD 3.27Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.49Å; H149-K152 PolarHBondContact O-NZ 3.37Å
153C96.8Very high97.2Very high21 Ų2163.2 Ų63.214%0.14233%0.328CS..SBendtrans-135.1152.7-179.772.90000110.3N119 S148 Y151 V155N119-C153 WeakPolarHBondContact O-CB 3.42Å; N119-C153 WeakPolarHBondContact OD1-CB 3.22Å; S148-C153 WeakPolarHBondContact CA-O 3.24Å; S148-C153 WeakPolarHBondContact CB-O 3.46Å; S148-C153 PolarHBondContact O-N 3.41Å; S148-C153 PolarHBondContact OG-O 3.1Å; Y151-C153 PolarHBondContact O-N 3.01Å; C153-V155 PolarHBondContact O-N 2.64Å
154P98Very high97Very high63 Ų6369.6 Ų69.641%0.40936%0.362SS..  trans-68.8119.6176.625.9-31.6000110.5N119 M120 L121N119-P154 WeakPolarHBondContact O-CD 3.37Å; M120-P154 WeakPolarHBondContact CA-O 3.37Å; M120-P154 HydrophobicContact CB-CG 4.37Å; L121-P154 PolarHBondContact N-O 3.33Å
155V98.3Very high96.8Very high12 Ų1271.4 Ų71.47%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-106.8130.8176.7-175.40000110.1L121 V123 L147 S148 C153L121-V155 HydrophobicContact CB-CG1 4.46Å; L121-V155 HydrophobicContact CB-CG2 4.13Å; L121-V155 HydrophobicContact CD2-CG1 3.97Å; L121-V155 HydrophobicContact CD2-CG2 3.95Å; L121-V155 HydrophobicContact CG-CG1 4.45Å; L121-V155 CarbonylContact O-C 3.59Å; L121-V155 WeakPolarHBondContact O-CA 3.28Å; V123-V155 HydrophobicContact CG2-CG1 4.46Å; L147-V155 HydrophobicContact CB-CB 4.19Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.2Å; S148-V155 PolarHBondContact OG-N 3.33Å; S148-V155 VanDerWaalsContact OG-N 3.1Å; C153-V155 PolarHBondContact O-N 2.64Å
156K97.9Very high96.6Very high97 Ų9770.1 Ų70.142%0.42237%0.367SS..EExtended strand (participates in β ladder)trans-121.8129.7176.1-173.5-175.4178.7-154.10110.3L121 V122 V123 E158L121-K156 PolarHBondContact O-N 2.98Å; V122-K156 WeakPolarHBondContact CA-O 3.48Å; V123-K156 PolarHBondContact N-O 2.78Å; K156-E158 HydrophobicContact CD-CG 4.45Å; K156-E158 IonicContact NZ-OE1 3.88Å; K156-E158 PolarHBondContact NZ-OE1 2.99Å
157M97.3Very high96.5Very high13 Ų1370.8 Ų70.86%0.06437%0.373CS..EExtended strand (participates in β ladder)trans-99.7122.1175.6-73.2-74.7-63.100110F104 V123 I140 T143 E144F104-M157 HydrophobicContact CE2-CE 3.94Å; F104-M157 HydrophobicContact CZ-CE 4.39Å; V123-M157 HydrophobicContact CB-SD 3.47Å; V123-M157 WeakPolarHBondContact CB-SD 3.33Å; V123-M157 HydrophobicContact CG1-CE 4.15Å; V123-M157 HydrophobicContact CG1-SD 3.44Å; V123-M157 WeakPolarHBondContact CG1-SD 3.49Å; V123-M157 HydrophobicContact CG2-SD 4.19Å; V123-M157 WeakPolarHBondContact O-CA 3.49Å; I140-M157 HydrophobicContact CG2-CB 4.07Å; T143-M157 WeakPolarHBondContact OG1-CG 3.18Å; E144-M157 HydrophobicContact CG-CB 3.92Å; E144-M157 HydrophobicContact CG-CG 3.7Å; E144-M157 PolarHBondContact OE1-N 3Å
158E97.1Very high96.4Very high75 Ų7577 Ų7735%0.3540%0.397SS..EExtended strand (participates in β ladder)trans-110.2109.5174.8-66.6-174.3165.900109.3V122 V123 C124 A125 K156V122-E158 HydrophobicContact CG1-CG 3.93Å; V123-E158 PolarHBondContact O-N 3.48Å; C124-E158 CarbonylContact C-O 3.44Å; C124-E158 VanDerWaalsContact CA-O 3.28Å; C124-E158 WeakPolarHBondContact CA-O 3.17Å; A125-E158 PolarHBondContact N-O 2.65Å; K156-E158 HydrophobicContact CD-CG 4.45Å; K156-E158 IonicContact NZ-OE1 3.88Å; K156-E158 PolarHBondContact NZ-OE1 2.99Å
159V96.2Very high96.3Very high48 Ų4878.9 Ų78.929%0.29140%0.401SS..EExtended strand (participates in β ladder)trans-107.8129.4-176.2173.10000110.1A125 M127 I140 T161A125-V159 WeakPolarHBondContact O-CA 3.26Å; M127-V159 HydrophobicContact CB-CG1 4.19Å; M127-V159 HydrophobicContact CG-CG1 3.78Å; M127-V159 HydrophobicContact SD-CB 4.2Å; M127-V159 HydrophobicContact SD-CG1 3.33Å; M127-V159 WeakPolarHBondContact SD-CG1 3.36Å; M127-V159 HydrophobicContact SD-CG2 3.78Å; I140-V159 HydrophobicContact CD1-CB 4.29Å; I140-V159 HydrophobicContact CD1-CG2 3.84Å; I140-V159 HydrophobicContact CG1-CG2 4.03Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å
160Q96.4Very high96.1Very high119 Ų11979.1 Ų79.156%0.55640%0.398SS*.EExtended strand (participates in β ladder)trans-117.5126.7167.4174.2-178.711.700108.8A125 L126 M127A125-Q160 PolarHBondContact O-N 3.12Å; L126-Q160 WeakPolarHBondContact CA-O 3.33Å; L126-Q160 HydrophobicContact CD2-CB 3.8Å; L126-Q160 HydrophobicContact CD2-CG 4Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; M127-Q160 PolarHBondContact N-O 2.87Å
161T95.5Very high95.8Very high65 Ų6574.9 Ų74.940%0.39938%0.38SS..EExtended strand (participates in β ladder)trans-93146.1-179.465.30000111.9M127 Q129 V159M127-T161 CarbonylContact O-C 3.55Å; M127-T161 VanDerWaalsContact O-CA 3.26Å; M127-T161 WeakPolarHBondContact O-CA 3.37Å; Q129-T161 HydrophobicContact CG-CG2 4.47Å; Q129-T161 PolarHBondContact NE2-OG1 2.86Å; Q129-T161 VanDerWaalsContact NE2-OG1 3.16Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å
162L95.4Very high95.7Very high45 Ų4576.2 Ų76.224%0.23639%0.39CS..EExtended strand (participates in β ladder)trans-130.5145.1177.2-63172.1000108.2A109 L126 M127 L128 Q129A109-L162 HydrophobicContact CB-CD1 4.07Å; L126-L162 HydrophobicContact CB-CD1 4.34Å; M127-L162 PolarHBondContact O-N 3.34Å; L128-L162 WeakPolarHBondContact CA-O 3.25Å; Q129-L162 PolarHBondContact N-O 2.95Å; Q129-L162 VanDerWaalsContact N-O 3.16Å
163A94Very high95.6Very high72 Ų7271.5 Ų71.560%0.59537%0.372SS*.SBendtrans-65.8-53.4172.600000110
164D93.4Very high95.6Very high135 Ų13574.3 Ų74.372%0.72239%0.385SS*.SBendtrans-127.5166.8-178.5-71.6-47000112.6A166D164-A166 PolarHBondContact O-N 3.25Å
165K93.7Very high95.4Very high92 Ų9274.9 Ų74.940%0.438%0.384SS..  trans-70124.5178.2-161-176.1-165.4-165.40110T56 A109 V167T56-K165 HydrophobicContact CG2-CD 4.05Å; T56-K165 VanDerWaalsContact CG2-CE 3.43Å; T56-K165 HydrophobicContact CG2-CG 4.1Å; A109-K165 WeakPolarHBondContact O-CE 3.34Å; K165-V167 WeakPolarHBondContact O-CG2 3.22Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-V167 VanDerWaalsContact O-N 3.12Å
166A93.7Very high95.3Very high53 Ų5378.9 Ų78.944%0.43840%0.403SS..  trans-64.5112.4178.900000111.6D164D164-A166 PolarHBondContact O-N 3.25Å
167V96.4Very high95.1Very high68 Ų6877.7 Ų77.741%0.41240%0.402SS..  trans-92.1129.2178.3-173.40000109.7P54 K165 Y170P54-V167 HydrophobicContact CB-CG1 3.85Å; P54-V167 HydrophobicContact CB-CG2 3.87Å; K165-V167 WeakPolarHBondContact O-CG2 3.22Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-V167 VanDerWaalsContact O-N 3.12Å; V167-Y170 HydrophobicContact CG1-CD2 4.17Å; V167-Y170 HydrophobicContact CG1-CE1 4.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å
168Y96.3Very high94.9Very high130 Ų13082.3 Ų82.351%0.5143%0.426SS..  trans-99.6-44.5176.3174.6-110.9000112.2L55 Y57 A60L55-Y168 PolarHBondContact O-N 2.78Å; Y57-Y168 HydrophobicContact CD2-CD1 4.28Å; Y57-Y168 AromaticContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CE1 4.29Å; Y57-Y168 AromaticContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CG 4.03Å; Y57-Y168 HydrophobicContact CE2-CE2 4.2Å; A60-Y168 HydrophobicContact CB-CD1 3.61Å; A60-Y168 HydrophobicContact CB-CE1 4.13Å
169K95.1Very high94.8Very high72 Ų7282.8 Ų82.831%0.31343%0.432SS..EExtended strand (participates in β ladder)trans-153.1160.5177.674.2-176.8-170.8-168.40111.2L55 A60L55-K169 HydrophobicContact CB-CG 4.39Å; L55-K169 PolarHBondContact N-O 3.41Å; L55-K169 PolarHBondContact O-N 3.26Å; A60-K169 HydrophobicContact CB-CD 3.85Å; A60-K169 VanDerWaalsContact CB-CE 3.42Å; A60-K169 HydrophobicContact CB-CG 4.03Å; A60-K169 PolarHBondContact O-NZ 3.01Å
170Y95.6Very high94.6Very high142 Ų14285.8 Ų85.856%0.55744%0.444SS*.EExtended strand (participates in β ladder)trans-104.7141.1170.5-66.9-96.2000110.5G51 R53 P54 V167G51-Y170 VanDerWaalsContact O-CB 3.28Å; G51-Y170 WeakPolarHBondContact O-CB 3.33Å; R53-Y170 WeakPolarHBondContact O-CA 3.34Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.72Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å; V167-Y170 HydrophobicContact CG1-CD2 4.17Å; V167-Y170 HydrophobicContact CG1-CE1 4.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å
171L90.4Very high94.5Very high36 Ų3682.7 Ų82.719%0.18843%0.434CS..  trans-128.40177.7-78.6-168.5000112.5V48 G49 G51 D52 R53 L55V48-L171 HydrophobicContact CG2-CD1 4.48Å; V48-L171 HydrophobicContact CG2-CD2 4.2Å; G49-L171 WeakPolarHBondContact CA-OXT 3.41Å; G49-L171 PolarHBondContact N-OXT 2.73Å; G51-L171 CarbonylContact C-O 3.3Å; G51-L171 VanDerWaalsContact C-O 3.3Å; G51-L171 VanDerWaalsContact CA-O 3.23Å; G51-L171 WeakPolarHBondContact CA-O 3.19Å; G51-L171 VanDerWaalsContact N-C 3.27Å; G51-L171 PolarHBondContact N-O 3.11Å; G51-L171 PolarHBondContact N-OXT 3.06Å; G51-L171 VanDerWaalsContact N-OXT 3.07Å; D52-L171 PolarHBondContact N-O 2.99Å; R53-L171 WeakPolarHBondContact CB-O 3.25Å; R53-L171 PolarHBondContact N-O 3.1Å; R53-L171 PolarHBondContact O-N 3.46Å; L55-L171 HydrophobicContact CD1-CB 4.14Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 3.76Å

Retrieved 171 of 171 residues in 26.4 ms (Link to these results)