A0A061INE8_CRIGR Loading...

Prickle planar cell polarity protein 4

AlphaFold DB , UniProt , Accession A0A061INE8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Prickle4, Length 369 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
1M34.3Very low29.1Very low246 Ų246163.5 Ų163.5100%1.21286%0.864SS**  01020-76.7176.8153.100106.9
2S26.4Very low29.3Very low119 Ų119164 Ų16483%0.83286%0.858SS**  trans-91.3134.8-179.4-510000108.6
3V29.4Very low29.2Very low143 Ų143162.9 Ų162.987%0.86785%0.854SS**  trans-128.6118.1164.4-174.30000106.7
4Q29.3Very low29.3Very low182 Ų182158.7 Ų158.785%0.8584%0.843SS**  trans-83.7147.3-177.1-79.5166.1-44.700111.4
5N24.5Very low29.3Very low154 Ų154157.1 Ų157.182%0.82485%0.845SS**  trans-62.3156.3168.1-71.8-29.6000112.6
6S29.5Very low29.6Very low116 Ų116156.2 Ų156.281%0.81184%0.838SS**  trans-148.3114.7150.8-58.30000110.6
7D27.5Very low29.6Very low151 Ų151158.9 Ų158.981%0.80784%0.841SS**  trans-49.9136.4167.3-78.8-56.3000112.8
8W29.9Very low29.7Very low253 Ų253163.6 Ų163.696%0.95885%0.845SS**  trans-98.588.9160.6-93.276.4000109
9S27.9Very low29.9Very low95 Ų95163.6 Ų163.666%0.66484%0.841SS**  trans-77.1130.4166.6-67.10000110Q11S9-Q11 PolarHBondContact O-N 2.92Å
10L31.2Very low30.1Very low160 Ų160161.5 Ų161.584%0.83884%0.838SS**  trans-49.9121.7170.6-83.384.9000110.9
11Q30.7Very low30.5Very low179 Ų179161.1 Ų161.184%0.83684%0.837SS**  trans-103.1101.3159.3-101.6174-54.300109.8S9S9-Q11 PolarHBondContact O-N 2.92Å
12Q31.4Very low30.8Very low170 Ų170154.6 Ų154.679%0.79481%0.813SS**  trans-58.8122.9158.6-72.4160.1-1500109.3
13N27.2Very low31.3Very low150 Ų150155.1 Ų155.180%0.80281%0.814SS**  trans-137.675.8157.9-86.7-38.3000107.7
14C31.2Very low31.6Very low104 Ų104155.9 Ų155.970%0.70381%0.811SS**  trans-90.5132.9154.7-77.20000106.8I16C14-I16 VanDerWaalsContact C-N 3.27Å; C14-I16 HydrophobicContact CB-CG1 4.39Å; C14-I16 PolarHBondContact O-N 3.26Å
15P29.8Very low31.6Very low134 Ų134152.4 Ų152.487%0.8781%0.807SS**  trans-74.189.8171.730.1-28.7000107.8
16I32.9Very low32.1Very low143 Ų143150.3 Ų150.373%0.73380%0.804SS**  trans-82.4125.7165.5-64.6-178.8000106.5C14 R18C14-I16 VanDerWaalsContact C-N 3.27Å; C14-I16 HydrophobicContact CB-CG1 4.39Å; C14-I16 PolarHBondContact O-N 3.26Å; I16-R18 PolarHBondContact O-N 3.43Å; I16-R18 VanDerWaalsContact O-N 3.15Å
17F29.8Very low32.2Very low202 Ų202152.3 Ų152.389%0.88681%0.806SS**  trans-43.6115.7164.2-95.1-103.6000109.3E19F17-E19 PolarHBondContact O-N 3.38Å
18R31.1Very low32.4Very low243 Ų243150.6 Ų150.692%0.91781%0.806SS**  trans-80.9113167.1-80.2-152.2173.9-158.7-0.3108.4I16I16-R18 PolarHBondContact O-N 3.43Å; I16-R18 VanDerWaalsContact O-N 3.15Å
19E34.5Very low32.5Very low164 Ų164147 Ų14777%0.76680%0.8SS**PPolyproline II helixtrans-71.6146.8158.3-81.5-172.2117.500109.9F17F17-E19 PolarHBondContact O-N 3.38Å
20P33.7Very low32.7Very low121 Ų121148.1 Ų148.179%0.78681%0.807SS**PPolyproline II helixtrans-80.313517319.6-9000111.1
21D39.2Very low32.6Very low155 Ų155144.1 Ų144.183%0.82981%0.805SS**PPolyproline II helixtrans-59.2141.4175-64.4-57.6000111.8
22P39.4Very low32.7Very low109 Ų109144.8 Ų144.871%0.70881%0.808SS**PPolyproline II helixtrans-72.2147.7173.629.3-32.9000111.4I24P22-I24 PolarHBondContact O-N 3.49Å
23P36.7Very low32.5Very low129 Ų129145.2 Ų145.284%0.83881%0.81SS**PPolyproline II helixtrans-72.6125.4-176.828.9-32.3000111.1S25P23-S25 PolarHBondContact O-N 3.45Å
24I36.2Very low32.5Very low159 Ų159144.7 Ų144.782%0.81581%0.806SS**  trans-72114.2169.1-63.9170.9000108P22P22-I24 PolarHBondContact O-N 3.49Å
25S29.6Very low32.3Very low109 Ų109146 Ų14676%0.76281%0.811SS**  trans-80.5125.6166.956.70000110.2P23P23-S25 PolarHBondContact O-N 3.45Å
26S35.3Very low32.3Very low110 Ų110148 Ų14877%0.76981%0.808SS**  trans-127.1119.1161.7-66.70000108.6
27D30.1Very low32Very low158 Ų158145.8 Ų145.885%0.84581%0.805SS**  trans-61142.7177.2-71-50.2000112.9
28S33.5Very low31.9Very low115 Ų115146.2 Ų146.280%0.80480%0.802SS**  trans-172.3106.9135.7-80.60000112.6
29H30.8Very low32Very low178 Ų178142.6 Ų142.682%0.82480%0.797SS**  trans55.1115.5140.5-79.5-80.3000123.6
30S33.1Very low31.8Very low118 Ų118141.8 Ų141.883%0.82580%0.798SS**  77.8123.8127.965.20000120.8
31G28.5Very low31.6Very low77 Ų77141.4 Ų141.479%0.79479%0.794SS**  trans14489.1154.200000114.4
32H32.8Very low31.3Very low193 Ų193139.6 Ų139.689%0.89479%0.793SS**  trans-60.7141.1161-70-99.1000110.1
33Q26.7Very low31Very low178 Ų178138.1 Ų138.183%0.83280%0.798SS**  168.2120.7110.9-161.3137.637.600112.8
34L26.7Very low30.9Very low140 Ų140141.7 Ų141.773%0.73380%0.804SS**  trans6.5125.9143.9-94.4143.3000118.6
35V28.9Very low30.6Very low131 Ų131138.2 Ų138.279%0.79480%0.799SS**  -152.1109.9128-179.40000109.1C37V35-C37 HydrophobicContact CG1-CB 4.24Å
36E28.5Very low30.6Very low176 Ų176137.9 Ų137.982%0.82280%0.797SS**  trans-71.7140.5151.8-72-178.413300108.4
37C26.7Very low30.5Very low97 Ų97139.1 Ų139.166%0.65580%0.8SS**  trans-165.6102.7158.6-103.40000113V35V35-C37 HydrophobicContact CG1-CB 4.24Å
38Y27Very low30.5Very low211 Ų211139.1 Ų139.183%0.82780%0.8SS**  trans56.6139.5136.678.8-94.6000123.5
39M35.2Very low30.7Very low167 Ų167139.1 Ų139.182%0.82380%0.799SS**  trans-70.3145.2167.1-61.9-78.6175.800111.9
40D28.7Very low30.7Very low146 Ų146136.3 Ų136.378%0.78180%0.8SS**  -177118.6117.7-106.2-25.5000114.4
41T30.7Very low30.8Very low113 Ų113139.3 Ų139.369%0.69381%0.806SS**  55.6126.3120.3-38.70000122.3
42S33Very low31.3Very low117 Ų117137.8 Ų137.882%0.81879%0.79SS**  trans99.2113.4144.8-42.10000118.2
43G32.4Very low31.7Very low79 Ų79134.2 Ų134.281%0.81478%0.784SS**  trans173.487.6162.700000112.3
44Q34.5Very low32.4Very low203 Ų203131.1 Ų131.195%0.94978%0.779SS**  trans-68.1133.8166.5-73.3178.6-28.700109.9
45A29.6Very low33.2Very low87 Ų87130.5 Ų130.572%0.71979%0.785SS**  trans173.3116.5132.900000112.6
46S30.8Very low33.8Very low102 Ų102131.8 Ų131.871%0.71379%0.787SS**  trans52.6125.7139.332.10000123
47T32.9Very low34.1Very low136 Ų136129 Ų12983%0.83478%0.778SS**  trans61.8106140.262.60000118.3
48D30.1Very low35.2Very low158 Ų158131.4 Ų131.485%0.84578%0.783SS**  -169.3156.1107.4-145.3-12.6000111.5
49S36.4Very low36.2Very low114 Ų114128.6 Ų128.680%0.79778%0.782SS**  trans-71125.7-178.3-52.90000111.6
50S32.5Very low36.7Very low119 Ų119128.9 Ų128.983%0.83278%0.781SS**  trans-158.284.8149.8-162.10000109.6G52S50-G52 PolarHBondContact O-N 3.09Å
51L34.2Very low37.5Very low181 Ų181125.4 Ų125.495%0.94877%0.773SS**  trans-68.990.4161.7-85.4153.7000107
52G39Very low38.6Very low45 Ų45125.6 Ų125.646%0.46478%0.779SS.*PPolyproline II helixtrans-58.5151158.700000109.6S50S50-G52 PolarHBondContact O-N 3.09Å
53P42.3Very low39.7Very low119 Ų119126.6 Ų126.677%0.77378%0.775SS**PPolyproline II helixtrans-58.7132.7179.724.9-31.5000108.8C55P53-C55 PolarHBondContact O-N 2.89Å; P53-C55 VanDerWaalsContact O-N 3.1Å
54P40.4Very low41.5Very low113 Ų113130.3 Ų130.373%0.73476%0.764SS**PPolyproline II helixtrans-61.5121.1176.324.4-29.8000107.6L56P54-L56 PolarHBondContact O-N 2.84Å
55C43.3Very low43.6Very low127 Ų127124.8 Ų124.886%0.85875%0.746SS**  trans-51.2111.1167.1-73.50000107.1P53 D57P53-C55 PolarHBondContact O-N 2.89Å; P53-C55 VanDerWaalsContact O-N 3.1Å; C55-D57 PolarHBondContact O-N 2.8Å
56L41.6Very low46.1Very low157 Ų157126.8 Ų126.882%0.82274%0.741SS**  trans-66107173.3-72.3171000106.7P54 I58P54-L56 PolarHBondContact O-N 2.84Å; L56-I58 PolarHBondContact O-N 3.4Å
57D34.2Very low48.8Very low119 Ų119127.4 Ų127.464%0.63673%0.731SS**  trans-55.3107.3168.4-103-36.1000108.7C55 N59 Q60C55-D57 PolarHBondContact O-N 2.8Å; D57-N59 PolarHBondContact O-N 2.84Å; D57-Q60 PolarHBondContact O-N 2.84Å; D57-Q60 VanDerWaalsContact O-N 3.16Å
58I51.3Low51.6Low147 Ų147129.7 Ų129.775%0.75472%0.724SS**G310 helixtrans-62.2-11.5-178.9-66.6170.9000111.6L56 Q60L56-I58 PolarHBondContact O-N 3.4Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.29Å
59N48Very low54.4Low151 Ų151125.5 Ų125.581%0.80770%0.701SS**G310 helixtrans-86.62.8178.5-66.5-39.8000114.6D57D57-N59 PolarHBondContact O-N 2.84Å
60Q44.2Very low57.1Low174 Ų174123.2 Ų123.281%0.81368%0.679SS**G310 helixtrans-110.36.6178.6-125.1175.293.600114.5D57 I58D57-Q60 PolarHBondContact O-N 2.84Å; D57-Q60 VanDerWaalsContact O-N 3.16Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.29Å
61A46.5Very low60Low73 Ų73121.2 Ų121.260%0.60366%0.659SS**  trans-9612.9-171.200000115.4N63A61-N63 PolarHBondContact O-N 3.23Å
62S53.7Low62.9Low117 Ų117116.6 Ų116.682%0.81863%0.632SS**THydrogen-bonded Turntrans-92.110.4-166.6-650000116.2
63N56.6Low65.6Low137 Ų137114.6 Ų114.673%0.73361%0.611SS**THydrogen-bonded Turntrans-152.853177-147.4-1.9000114.7A61 P65A61-N63 PolarHBondContact O-N 3.23Å; N63-P65 WeakPolarHBondContact O-CD 3.42Å
64W69.8Low68.1Low158 Ų158111.1 Ų111.160%0.59859%0.586SS**  trans-94.6111.3170.1-163.7-99.4000110.1E66 F67 R68W64-E66 VanDerWaalsContact CD1-CB 3.41Å; W64-E66 VanDerWaalsContact NE1-CB 3.32Å; W64-E66 PolarHBondContact NE1-OE2 3.39Å; W64-E66 PolarHBondContact O-N 2.66Å; W64-E66 VanDerWaalsContact O-N 3.13Å; W64-F67 HydrophobicContact CB-CB 4.22Å; W64-F67 WeakPolarHBondContact O-CB 3.49Å; W64-F67 PolarHBondContact O-N 3.16Å; W64-R68 PolarHBondContact O-N 2.96Å
65P78.1Confident70.7Confident87 Ų87105.9 Ų105.957%0.56555%0.552SS**Hα-helixtrans-54.1-33.3-179.5-27.935.9000113.6N63 F67 R68 I69N63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-F67 VanDerWaalsContact C-N 3.34Å; P65-F67 PolarHBondContact O-N 2.85Å; P65-R68 PolarHBondContact O-N 3.36Å; P65-I69 WeakPolarHBondContact O-CG1 3.31Å; P65-I69 PolarHBondContact O-N 2.84Å
66E83.1Confident73.2Confident129 Ų129101.8 Ų101.860%0.60352%0.523SS*.Hα-helixtrans-70.3-30179.1-45.3177.2151.100112.5W64 I69 L70W64-E66 VanDerWaalsContact CD1-CB 3.41Å; W64-E66 VanDerWaalsContact NE1-CB 3.32Å; W64-E66 PolarHBondContact NE1-OE2 3.39Å; W64-E66 PolarHBondContact O-N 2.66Å; W64-E66 VanDerWaalsContact O-N 3.13Å; E66-I69 PolarHBondContact O-N 3.07Å; E66-L70 WeakPolarHBondContact O-CB 3.08Å; E66-L70 PolarHBondContact O-N 3.26Å
67F87.6Confident75.8Confident115 Ų11596 Ų9650%0.50449%0.492SS..Hα-helixtrans-69.1-38.6177.5-178.4-108.9000110.9W64 P65 I69 L70 L71W64-F67 HydrophobicContact CB-CB 4.22Å; W64-F67 WeakPolarHBondContact O-CB 3.49Å; W64-F67 PolarHBondContact O-N 3.16Å; P65-F67 VanDerWaalsContact C-N 3.34Å; P65-F67 PolarHBondContact O-N 2.85Å; F67-I69 VanDerWaalsContact C-N 3.35Å; F67-L70 WeakPolarHBondContact O-CB 3.16Å; F67-L70 PolarHBondContact O-N 3.32Å; F67-L71 HydrophobicContact CD1-CD1 3.95Å; F67-L71 HydrophobicContact CD1-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.38Å; F67-L71 HydrophobicContact CE1-CG 4.01Å; F67-L71 HydrophobicContact CE2-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.14Å; F67-L71 HydrophobicContact CZ-CG 3.97Å; F67-L71 WeakPolarHBondContact O-CG 3.47Å; F67-L71 PolarHBondContact O-N 3.37Å
68R89.9Confident78.8Confident183 Ų18390.4 Ų90.469%0.69146%0.462SS*.Hα-helixtrans-63.4-41.6173.7-63.5-172.370.7-150.21111.7W64 P65 L70 L71 Q72W64-R68 PolarHBondContact O-N 2.96Å; P65-R68 PolarHBondContact O-N 3.36Å; R68-L70 VanDerWaalsContact C-N 3.33Å; R68-L71 PolarHBondContact O-N 3.38Å; R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 PolarHBondContact O-N 3.3Å
69I90.6Very high80.7Confident71 Ų7186.3 Ų86.336%0.36445%0.447SS..Hα-helixtrans-61.7-44.3175.2-67.2167.3000110.1P65 E66 F67 Q72 Q73P65-I69 WeakPolarHBondContact O-CG1 3.31Å; P65-I69 PolarHBondContact O-N 2.84Å; E66-I69 PolarHBondContact O-N 3.07Å; F67-I69 VanDerWaalsContact C-N 3.35Å; I69-Q72 WeakPolarHBondContact O-CB 3.3Å; I69-Q72 PolarHBondContact O-N 3.33Å; I69-Q73 HydrophobicContact CG2-CG 4.29Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 WeakPolarHBondContact O-CG 3.09Å; I69-Q73 PolarHBondContact O-N 2.9Å
70L92.1Very high82.9Confident65 Ų6582.1 Ų82.134%0.3442%0.424SS..Hα-helixtrans-60.2-49.6178.6-178.962.2000112E66 F67 R68 Q72 Q73 L74 L166E66-L70 WeakPolarHBondContact O-CB 3.08Å; E66-L70 PolarHBondContact O-N 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.16Å; F67-L70 PolarHBondContact O-N 3.32Å; R68-L70 VanDerWaalsContact C-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.5Å; L70-Q73 PolarHBondContact O-N 3.36Å; L70-Q73 VanDerWaalsContact O-N 3.14Å; L70-L74 HydrophobicContact CD1-CD1 3.87Å; L70-L74 HydrophobicContact CD1-CG 4.47Å; L70-L74 PolarHBondContact O-N 2.77Å; L70-L166 HydrophobicContact CD1-CD1 4.28Å; L70-L166 HydrophobicContact CD1-CD2 3.7Å
71L93.8Very high85.2Confident77 Ų7776.8 Ų76.840%0.40340%0.399SS..Hα-helixtrans-61.4-36.1177-71.8-179.9000112.3F67 R68 L74 P75F67-L71 HydrophobicContact CD1-CD1 3.95Å; F67-L71 HydrophobicContact CD1-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.38Å; F67-L71 HydrophobicContact CE1-CG 4.01Å; F67-L71 HydrophobicContact CE2-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.14Å; F67-L71 HydrophobicContact CZ-CG 3.97Å; F67-L71 WeakPolarHBondContact O-CG 3.47Å; F67-L71 PolarHBondContact O-N 3.37Å; R68-L71 PolarHBondContact O-N 3.38Å; L71-L74 CarbonylContact O-C 3.51Å; L71-P75 WeakPolarHBondContact O-CA 3.42Å
72Q94Very high87.4Confident84 Ų8480.9 Ų80.939%0.39341%0.406SS..Hα-helixtrans-67.1-41174.6-172.7-172.26.900111.7R68 I69 L70 R179R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 PolarHBondContact O-N 3.3Å; I69-Q72 WeakPolarHBondContact O-CB 3.3Å; I69-Q72 PolarHBondContact O-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.5Å; Q72-R179 VanDerWaalsContact O-CB 3.23Å; Q72-R179 WeakPolarHBondContact O-CB 3.16Å; Q72-R179 WeakPolarHBondContact O-CD 3.49Å
73Q95.6Very high89.3Confident4 Ų481.3 Ų81.32%0.01939%0.39CS..Hα-helixtrans-76.6-33-177.8-74.2-176.7-46.400112.9I69 L70 A162 C177 G178 R179I69-Q73 HydrophobicContact CG2-CG 4.29Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 WeakPolarHBondContact O-CG 3.09Å; I69-Q73 PolarHBondContact O-N 2.9Å; L70-Q73 PolarHBondContact O-N 3.36Å; L70-Q73 VanDerWaalsContact O-N 3.14Å; Q73-A162 PolarHBondContact NE2-O 3.41Å; Q73-C177 HydrophobicContact CB-CB 3.9Å; Q73-C177 HydrophobicContact CG-CB 4.01Å; Q73-G178 CarbonylContact O-C 3.58Å; Q73-G178 VanDerWaalsContact O-CA 3.32Å; Q73-G178 WeakPolarHBondContact O-CA 3.3Å; Q73-G178 PolarHBondContact O-N 3.47Å; Q73-R179 PolarHBondContact O-N 2.87Å
74L95.6Very high91Very high46 Ų4675.8 Ų75.824%0.24136%0.362CS..SBendtrans-132.671.7-177.2-58.3177.2000110.4L70 L71 I167 F169L70-L74 HydrophobicContact CD1-CD1 3.87Å; L70-L74 HydrophobicContact CD1-CG 4.47Å; L70-L74 PolarHBondContact O-N 2.77Å; L71-L74 CarbonylContact O-C 3.51Å; L74-I167 HydrophobicContact CD1-CD1 3.96Å; L74-I167 HydrophobicContact CD1-CG1 3.75Å; L74-I167 HydrophobicContact CD2-CD1 3.84Å; L74-I167 HydrophobicContact CD2-CG1 3.73Å; L74-I167 HydrophobicContact CG-CG1 4.42Å; L74-F169 HydrophobicContact CD2-CE2 4.43Å
75P96.2Very high91.7Very high3 Ų374 Ų742%0.01936%0.364CS..  trans-60.8125.5178.1-19.631.7000109.9L71 Q77 D78 R179L71-P75 WeakPolarHBondContact O-CA 3.42Å; P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 HydrophobicContact CB-CG 4.36Å; P75-Q77 PolarHBondContact O-N 3.4Å; P75-D78 WeakPolarHBondContact O-CB 3.02Å; P75-D78 PolarHBondContact O-N 2.91Å; P75-R179 HydrophobicContact CG-CB 3.96Å; P75-R179 HydrophobicContact CG-CG 4.24Å
76P95.6Very high91.7Very high40 Ų4074.9 Ų74.926%0.2638%0.378SS..G310 helixtrans-62.2-36.3-173.723.8-33.9000112.3D78 S79 D80 Y83P76-D78 PolarHBondContact O-N 2.89Å; P76-S79 PolarHBondContact O-N 3.37Å; P76-D80 PolarHBondContact O-N 2.85Å; P76-Y83 HydrophobicContact CB-CD1 4Å; P76-Y83 HydrophobicContact CB-CD2 3.75Å; P76-Y83 HydrophobicContact CB-CE1 4.29Å; P76-Y83 HydrophobicContact CB-CE2 4.03Å; P76-Y83 HydrophobicContact CB-CG 3.7Å; P76-Y83 HydrophobicContact CG-CD1 3.99Å; P76-Y83 HydrophobicContact CG-CE1 4.46Å; P76-Y83 HydrophobicContact CG-CG 4.05Å
77Q95.6Very high91.9Very high35 Ų3570.5 Ų70.516%0.16436%0.358CS..G310 helixtrans-60.5-15.7174.966.2-91.421.100114.6P75 S79 C84 D193 Q194P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 HydrophobicContact CB-CG 4.36Å; P75-Q77 PolarHBondContact O-N 3.4Å; Q77-S79 VanDerWaalsContact C-N 3.29Å; Q77-C84 PolarHBondContact O-SG 2.86Å; Q77-D193 PolarHBondContact NE2-O 3.14Å; Q77-Q194 HydrophobicContact CB-CG 4.13Å; Q77-Q194 HydrophobicContact CG-CG 3.79Å
78D96Very high92Very high3 Ų366.8 Ų66.82%0.01635%0.353CS..G310 helixtrans-82.9-8.9176.1-69.11.6000112.7P75 P76 C99 R188 L195P75-D78 WeakPolarHBondContact O-CB 3.02Å; P75-D78 PolarHBondContact O-N 2.91Å; P76-D78 PolarHBondContact O-N 2.89Å; D78-C99 PolarHBondContact O-SG 3.13Å; D78-R188 VanDerWaalsContact CG-NH2 3.34Å; D78-R188 IonicContact OD1-CZ 3.78Å; D78-R188 IonicContact OD1-NH1 3.74Å; D78-R188 PolarHBondContact OD1-NH1 3.22Å; D78-R188 IonicContact OD1-NH2 3.75Å; D78-R188 PolarHBondContact OD1-NH2 2.78Å; D78-R188 IonicContact OD2-CZ 3.21Å; D78-R188 IonicContact OD2-NH1 3.82Å; D78-R188 IonicContact OD2-NH2 3.86Å; D78-R188 PolarHBondContact OD2-NH2 3.02Å; D78-L195 HydrophobicContact CB-CD1 4.29Å
79S93.1Very high92.2Very high61 Ų6166.5 Ų66.543%0.42736%0.359SS..THydrogen-bonded Turntrans-130.8-20.4-172.4-630000113.9P76 Q77 C99P76-S79 PolarHBondContact O-N 3.37Å; Q77-S79 VanDerWaalsContact C-N 3.29Å; S79-C99 VanDerWaalsContact CA-SG 3.58Å
80D93.2Very high92.3Very high62 Ų6269.3 Ų69.333%0.33238%0.375SS..  trans-140.6129.6-172.3-171.6-24.8000110.7P76 H82 Y83P76-D80 PolarHBondContact O-N 2.85Å; D80-H82 VanDerWaalsContact C-N 3.31Å; D80-H82 PolarHBondContact O-N 2.91Å; D80-H82 WeakPolarHBondContact OD1-CB 3.37Å; D80-H82 IonicContact OD1-CD2 3.37Å; D80-H82 PolarHBondContact OD1-CD2 2.99Å; D80-H82 IonicContact OD1-CG 2.65Å; D80-H82 PolarHBondContact OD1-N 3.15Å; D80-Y83 HydrophobicContact CB-CD2 3.8Å; D80-Y83 HydrophobicContact CB-CE2 4.14Å; D80-Y83 PolarHBondContact O-N 3.44Å
81E92.6Very high92.4Very high63 Ų6368.2 Ų68.229%0.29437%0.368SS..G310 helixtrans-68.7-26.2-177.760.6-166.1-132.700113.9Y83 C84 L92 L95 R96E81-Y83 PolarHBondContact O-N 2.88Å; E81-Y83 VanDerWaalsContact O-N 3.15Å; E81-C84 WeakPolarHBondContact O-CB 3.45Å; E81-C84 PolarHBondContact O-N 2.94Å; E81-L92 HydrophobicContact CB-CD1 3.32Å; E81-L92 HydrophobicContact CG-CD1 4.07Å; E81-L92 VanDerWaalsContact OE2-CD1 3.26Å; E81-L92 WeakPolarHBondContact OE2-CD1 3.34Å; E81-L95 HydrophobicContact CB-CD2 4.3Å; E81-R96 IonicContact OE1-CZ 3.24Å; E81-R96 IonicContact OE1-NH2 3.6Å; E81-R96 PolarHBondContact OE1-NH2 2.86Å; E81-R96 IonicContact OE2-CZ 3Å; E81-R96 IonicContact OE2-NE 3.62Å; E81-R96 PolarHBondContact OE2-NE 2.83Å; E81-R96 IonicContact OE2-NH2 2.68Å; E81-R96 PolarHBondContact OE2-NH2 2.85Å
82H92.8Very high92.5Very high159 Ų15966.2 Ų66.274%0.73636%0.358SS*.G310 helixtrans-63.2-22.1179.5-68.9-64.8000113D80D80-H82 VanDerWaalsContact C-N 3.31Å; D80-H82 PolarHBondContact O-N 2.91Å; D80-H82 WeakPolarHBondContact OD1-CB 3.37Å; D80-H82 IonicContact OD1-CD2 3.37Å; D80-H82 PolarHBondContact OD1-CD2 2.99Å; D80-H82 IonicContact OD1-CG 2.65Å; D80-H82 PolarHBondContact OD1-N 3.15Å
83Y93.8Very high92.5Very high126 Ų12664.9 Ų64.949%0.49436%0.361SS..G310 helixtrans-97.70.2178.7-59.2-87.1000113.1P76 D80 E81P76-Y83 HydrophobicContact CB-CD1 4Å; P76-Y83 HydrophobicContact CB-CD2 3.75Å; P76-Y83 HydrophobicContact CB-CE1 4.29Å; P76-Y83 HydrophobicContact CB-CE2 4.03Å; P76-Y83 HydrophobicContact CB-CG 3.7Å; P76-Y83 HydrophobicContact CG-CD1 3.99Å; P76-Y83 HydrophobicContact CG-CE1 4.46Å; P76-Y83 HydrophobicContact CG-CG 4.05Å; D80-Y83 HydrophobicContact CB-CD2 3.8Å; D80-Y83 HydrophobicContact CB-CE2 4.14Å; D80-Y83 PolarHBondContact O-N 3.44Å; E81-Y83 PolarHBondContact O-N 2.88Å; E81-Y83 VanDerWaalsContact O-N 3.15Å
84C91.5Very high92.6Very high21 Ų2167.8 Ų67.814%0.14238%0.375CS..SBendtrans-87.6147.6178.2-62.50000111.3Q77 E81 A86 L87Q77-C84 PolarHBondContact O-SG 2.86Å; E81-C84 WeakPolarHBondContact O-CB 3.45Å; E81-C84 PolarHBondContact O-N 2.94Å; C84-A86 PolarHBondContact O-N 3.07Å; C84-L87 HydrophobicContact CB-CD1 3.64Å; C84-L87 HydrophobicContact CB-CG 3.82Å
85L85.2Confident92.6Very high120 Ų12065.8 Ų65.863%0.62836%0.364SS*.SBendtrans-85.298176-68.7170.5000108.9L87 Q194L85-L87 PolarHBondContact O-N 3.29Å; L85-Q194 VanDerWaalsContact CG-NE2 3.25Å
86A78.3Confident92.6Very high105 Ų10572 Ų7287%0.86839%0.387SS*.SBendtrans42.661.2167.600000115.2C84C84-A86 PolarHBondContact O-N 3.07Å
87L86.8Confident92.7Very high37 Ų3774.9 Ų74.919%0.19440%0.4CS..  trans-69.5143.1172.4-63.6177.8000111.2C84 L85 E91 L95C84-L87 HydrophobicContact CB-CD1 3.64Å; C84-L87 HydrophobicContact CB-CG 3.82Å; L85-L87 PolarHBondContact O-N 3.29Å; L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.28Å; L87-L95 HydrophobicContact CD1-CD2 3.84Å
88G90.6Very high92.8Very high38 Ų3873.9 Ų73.939%0.39240%0.395SS..  trans-69.416516900000112.5D90 E91 L92G88-D90 VanDerWaalsContact C-N 3.32Å; G88-D90 PolarHBondContact O-N 3.29Å; G88-E91 PolarHBondContact N-OE2 3.37Å; G88-E91 PolarHBondContact O-N 3.32Å; G88-E91 VanDerWaalsContact O-N 3.14Å; G88-L92 WeakPolarHBondContact O-CB 3.41Å; G88-L92 PolarHBondContact O-N 2.95Å
89E93.4Very high92.8Very high176 Ų17674.3 Ų74.382%0.82240%0.398SS*.Hα-helixtrans-56.3-42.7-177.9-65.3-177.3167.500113L92 A93E89-L92 WeakPolarHBondContact O-CB 3.48Å; E89-L92 PolarHBondContact O-N 3.45Å; E89-A93 PolarHBondContact O-N 3.11Å
90D93.5Very high93Very high131 Ų13173.9 Ų73.970%0.70140%0.399SS*.Hα-helixtrans-64.8-42178.2-71.3-24.8000112.3G88 L92 A93 Q94G88-D90 VanDerWaalsContact C-N 3.32Å; G88-D90 PolarHBondContact O-N 3.29Å; D90-L92 VanDerWaalsContact C-N 3.34Å; D90-A93 PolarHBondContact O-N 3.43Å; D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.38Å; D90-Q94 PolarHBondContact O-N 2.87Å
91E94.1Very high93.2Very high41 Ų4174.9 Ų74.919%0.19240%0.401CS..Hα-helixtrans-68.1-38.6178.8-65.1-175.7123.200111.2L87 G88 Q94 L95 F197 S198L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.28Å; G88-E91 PolarHBondContact N-OE2 3.37Å; G88-E91 PolarHBondContact O-N 3.32Å; G88-E91 VanDerWaalsContact O-N 3.14Å; E91-Q94 WeakPolarHBondContact O-CB 3.16Å; E91-Q94 PolarHBondContact O-N 3.48Å; E91-L95 PolarHBondContact O-N 2.82Å; E91-F197 HydrophobicContact CB-CB 3.93Å; E91-F197 HydrophobicContact CG-CB 4.09Å; E91-S198 WeakPolarHBondContact OE1-CA 3.45Å; E91-S198 WeakPolarHBondContact OE1-CB 3.13Å; E91-S198 PolarHBondContact OE1-N 2.78Å
92L94.6Very high93.4Very high36 Ų3672.3 Ų72.319%0.18839%0.389CS..Hα-helixtrans-62.2-44.9175.2-171.861.6000111.6E81 G88 E89 D90 Q94 L95 R96E81-L92 HydrophobicContact CB-CD1 3.32Å; E81-L92 HydrophobicContact CG-CD1 4.07Å; E81-L92 VanDerWaalsContact OE2-CD1 3.26Å; E81-L92 WeakPolarHBondContact OE2-CD1 3.34Å; G88-L92 WeakPolarHBondContact O-CB 3.41Å; G88-L92 PolarHBondContact O-N 2.95Å; E89-L92 WeakPolarHBondContact O-CB 3.48Å; E89-L92 PolarHBondContact O-N 3.45Å; D90-L92 VanDerWaalsContact C-N 3.34Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 2.85Å; L92-L95 PolarHBondContact O-N 3.45Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.41Å
93A95.6Very high93.5Very high56 Ų5670.1 Ų70.146%0.46338%0.377SS..Hα-helixtrans-59.7-41.3174.100000111.5E89 D90 R96 L97E89-A93 PolarHBondContact O-N 3.11Å; D90-A93 PolarHBondContact O-N 3.43Å; A93-R96 PolarHBondContact O-N 3.04Å; A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 3.1Å
94Q96.3Very high93.6Very high65 Ų6570.9 Ų70.930%0.30439%0.385SS..Hα-helixtrans-67-40.1176-68.9176.112.100112.9D90 E91 L92 L97 F98 F197D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.38Å; D90-Q94 PolarHBondContact O-N 2.87Å; E91-Q94 WeakPolarHBondContact O-CB 3.16Å; E91-Q94 PolarHBondContact O-N 3.48Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 2.85Å; Q94-L97 PolarHBondContact O-N 3.21Å; Q94-F98 WeakPolarHBondContact O-CB 3.38Å; Q94-F98 PolarHBondContact O-N 3.04Å; Q94-F197 HydrophobicContact CB-CB 4.47Å; Q94-F197 HydrophobicContact CB-CD1 3.66Å; Q94-F197 HydrophobicContact CB-CE1 4.4Å; Q94-F197 HydrophobicContact CB-CG 4.4Å; Q94-F197 PolarHBondContact OE1-O 2.74Å
95L96Very high93.7Very high3 Ų375.9 Ų75.92%0.01641%0.405CS..Hα-helixtrans-59.6-48.8174.3173.162.7000110.6E81 L87 E91 L92 L97 F98 C99 F197E81-L95 HydrophobicContact CB-CD2 4.3Å; L87-L95 HydrophobicContact CD1-CD2 3.84Å; E91-L95 PolarHBondContact O-N 2.82Å; L92-L95 PolarHBondContact O-N 3.45Å; L95-L97 PolarHBondContact O-N 3.49Å; L95-F98 WeakPolarHBondContact O-CB 3.25Å; L95-F98 PolarHBondContact O-N 2.91Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.87Å; L95-C99 PolarHBondContact O-SG 2.95Å; L95-F197 HydrophobicContact CB-CD2 4.42Å; L95-F197 HydrophobicContact CB-CE1 4.25Å; L95-F197 HydrophobicContact CB-CE2 3.99Å; L95-F197 HydrophobicContact CB-CZ 3.91Å; L95-F197 HydrophobicContact CD1-CE2 3.68Å; L95-F197 HydrophobicContact CD1-CZ 3.53Å; L95-F197 HydrophobicContact CG-CE2 4.36Å; L95-F197 HydrophobicContact CG-CZ 4.33Å
96R96.4Very high94.2Very high133 Ų13370.7 Ų70.750%0.50238%0.379SS..Hα-helixtrans-58.6-47.3178.6-71170.7179.3170.3-1.3111.9E81 L92 A93 C99 A100E81-R96 IonicContact OE1-CZ 3.24Å; E81-R96 IonicContact OE1-NH2 3.6Å; E81-R96 PolarHBondContact OE1-NH2 2.86Å; E81-R96 IonicContact OE2-CZ 3Å; E81-R96 IonicContact OE2-NE 3.62Å; E81-R96 PolarHBondContact OE2-NE 2.83Å; E81-R96 IonicContact OE2-NH2 2.68Å; E81-R96 PolarHBondContact OE2-NH2 2.85Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.41Å; A93-R96 PolarHBondContact O-N 3.04Å; R96-C99 PolarHBondContact O-N 3.31Å; R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.33Å
97L97.1Very high95Very high101 Ų10167.7 Ų67.753%0.52935%0.348SS..Hα-helixtrans-61.8-45177-18060.9000111.5A93 Q94 L95 A100 Q101A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 3.1Å; Q94-L97 PolarHBondContact O-N 3.21Å; L95-L97 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 3.05Å; L97-Q101 HydrophobicContact CD1-CG 4.15Å; L97-Q101 HydrophobicContact CG-CG 4.43Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 VanDerWaalsContact O-CG 3.28Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 2.79Å
98F97.2Very high95.4Very high15 Ų1566.6 Ų66.67%0.06635%0.345CS..Hα-helixtrans-58.7-48.4177.5174.4-103000112Q94 L95 A100 Q101 R102 A182 L185 R186 L195 F197Q94-F98 WeakPolarHBondContact O-CB 3.38Å; Q94-F98 PolarHBondContact O-N 3.04Å; L95-F98 WeakPolarHBondContact O-CB 3.25Å; L95-F98 PolarHBondContact O-N 2.91Å; F98-A100 PolarHBondContact O-N 2.91Å; F98-Q101 PolarHBondContact O-N 3.48Å; F98-R102 HydrophobicContact CE2-CG 4.41Å; F98-R102 HydrophobicContact CZ-CG 4.45Å; F98-R102 VanDerWaalsContact O-CG 3.3Å; F98-R102 WeakPolarHBondContact O-CG 3.23Å; F98-R102 PolarHBondContact O-N 3.13Å; F98-A182 HydrophobicContact CE1-CB 4.28Å; F98-A182 HydrophobicContact CZ-CB 4.01Å; F98-L185 HydrophobicContact CE2-CB 3.7Å; F98-L185 HydrophobicContact CE2-CD1 3.94Å; F98-L185 HydrophobicContact CE2-CG 4.49Å; F98-L185 HydrophobicContact CZ-CB 4.36Å; F98-R186 HydrophobicContact CD2-CG 4.1Å; F98-R186 HydrophobicContact CE2-CB 4.34Å; F98-R186 HydrophobicContact CE2-CG 3.7Å; F98-R186 HydrophobicContact CZ-CB 4.4Å; F98-R186 HydrophobicContact CZ-CG 4.18Å; F98-L195 HydrophobicContact CD1-CD1 4.37Å; F98-L195 HydrophobicContact CE1-CD1 3.49Å; F98-L195 VanDerWaalsContact CE1-CD1 3.49Å; F98-L195 HydrophobicContact CZ-CD1 3.88Å; F98-F197 HydrophobicContact CB-CE1 3.87Å; F98-F197 HydrophobicContact CB-CZ 4.31Å; F98-F197 HydrophobicContact CD1-CE1 4.28Å; F98-F197 AromaticContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CE1-CZ 4.46Å; F98-F197 HydrophobicContact CG-CE1 4.05Å; F98-F197 HydrophobicContact CG-CZ 4.2Å
99C96.6Very high95.5Very high11 Ų1171.1 Ų71.17%0.07436%0.356CS..Hα-helixtrans-59.1-48.1176.1-67.90000111.6D78 S79 L95 R96 Q101 R102 K103D78-C99 PolarHBondContact O-SG 3.13Å; S79-C99 VanDerWaalsContact CA-SG 3.58Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.87Å; L95-C99 PolarHBondContact O-SG 2.95Å; R96-C99 PolarHBondContact O-N 3.31Å; C99-Q101 PolarHBondContact O-N 2.84Å; C99-R102 PolarHBondContact O-N 3.43Å; C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 VanDerWaalsContact O-CG 3.24Å; C99-K103 WeakPolarHBondContact O-CG 3.18Å; C99-K103 PolarHBondContact O-N 3.35Å
100A97.1Very high95.4Very high53 Ų5363.3 Ų63.344%0.43832%0.323SS..Hα-helixtrans-60-47.1179.300000111.8R96 L97 F98 R102 K103 Q104R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 3.05Å; F98-A100 PolarHBondContact O-N 2.91Å; A100-R102 PolarHBondContact O-N 3.06Å; A100-K103 PolarHBondContact O-N 3.06Å; A100-Q104 WeakPolarHBondContact O-CB 3.36Å; A100-Q104 PolarHBondContact O-N 3.44Å
101Q97.1Very high95.3Very high83 Ų8360.2 Ų60.239%0.38831%0.308SS..Hα-helixtrans-61.7-45179.1-73.7176.1-6.100112.1L97 F98 C99 Q104 K105L97-Q101 HydrophobicContact CD1-CG 4.15Å; L97-Q101 HydrophobicContact CG-CG 4.43Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 VanDerWaalsContact O-CG 3.28Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 2.79Å; F98-Q101 PolarHBondContact O-N 3.48Å; C99-Q101 PolarHBondContact O-N 2.84Å; Q101-Q104 PolarHBondContact O-N 2.82Å; Q101-K105 WeakPolarHBondContact O-CB 3.24Å; Q101-K105 WeakPolarHBondContact O-CG 3.29Å; Q101-K105 PolarHBondContact O-N 3.16Å
102R96.8Very high95.1Very high9 Ų960.6 Ų60.63%0.03432%0.318CS..Hα-helixtrans-64.2-42.6178.4-70.817954.8-161.13.1112.3F98 C99 A100 Q104 S106 L107 F169 G178 H181 A182 L185F98-R102 HydrophobicContact CE2-CG 4.41Å; F98-R102 HydrophobicContact CZ-CG 4.45Å; F98-R102 VanDerWaalsContact O-CG 3.3Å; F98-R102 WeakPolarHBondContact O-CG 3.23Å; F98-R102 PolarHBondContact O-N 3.13Å; C99-R102 PolarHBondContact O-N 3.43Å; A100-R102 PolarHBondContact O-N 3.06Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; R102-S106 PolarHBondContact O-N 3.4Å; R102-L107 PolarHBondContact O-N 3.45Å; R102-F169 HydrophobicContact CB-CD1 4.34Å; R102-F169 HydrophobicContact CB-CE1 3.93Å; R102-G178 PolarHBondContact NH2-O 2.96Å; R102-H181 PolarHBondContact NE-ND1 3.24Å; R102-H181 VanDerWaalsContact NE-ND1 3.17Å; R102-A182 VanDerWaalsContact NH1-CB 3.34Å; R102-L185 HydrophobicContact CG-CD1 4.03Å
103K95.4Very high94.9Very high112 Ų11264.9 Ų64.949%0.48733%0.332SS..Hα-helixtrans-61.1-42.6175.2-72.2176.4-179.5178.60111.3C99 A100 L107 R142C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 VanDerWaalsContact O-CG 3.24Å; C99-K103 WeakPolarHBondContact O-CG 3.18Å; C99-K103 PolarHBondContact O-N 3.35Å; A100-K103 PolarHBondContact O-N 3.06Å; K103-L107 HydrophobicContact CB-CD2 4.28Å; K103-L107 HydrophobicContact CG-CD2 4.07Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; K103-R142 PolarHBondContact O-NH2 2.65Å
104Q95.4Very high94.6Very high142 Ų14266.7 Ų66.766%0.66433%0.334SS*.Hα-helixtrans-74-43.2-177.8-172.8-179.57.300113.1A100 Q101 R102 R142A100-Q104 WeakPolarHBondContact O-CB 3.36Å; A100-Q104 PolarHBondContact O-N 3.44Å; Q101-Q104 PolarHBondContact O-N 2.82Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-R142 VanDerWaalsContact O-CZ 3.23Å; Q104-R142 PolarHBondContact O-NH1 3.28Å; Q104-R142 PolarHBondContact O-NH2 2.99Å
105K94.8Very high94Very high126 Ų12664 Ų6455%0.54832%0.321SS..Hα-helixtrans-92.5-39.2-168.2-64-174.5177.4-1710113.5Q101 R142Q101-K105 WeakPolarHBondContact O-CB 3.24Å; Q101-K105 WeakPolarHBondContact O-CG 3.29Å; Q101-K105 PolarHBondContact O-N 3.16Å; K105-R142 PolarHBondContact O-NH1 3.28Å; K105-R142 VanDerWaalsContact O-NH1 3.13Å
106S95.3Very high93.1Very high12 Ų1266.7 Ų66.78%0.08434%0.339CS..THydrogen-bonded Turntrans-120.3-26.4-165-51.60000113.9R102 F169 Y170 H181R102-S106 PolarHBondContact O-N 3.4Å; S106-F169 CarbonylContact O-C 3.55Å; S106-F169 WeakPolarHBondContact O-CA 3.23Å; S106-Y170 VanDerWaalsContact CB-O 3.3Å; S106-Y170 WeakPolarHBondContact CB-O 3.4Å; S106-Y170 PolarHBondContact O-N 3.04Å; S106-Y170 PolarHBondContact OG-O 3.28Å; S106-H181 VanDerWaalsContact CB-NE2 3.31Å; S106-H181 WeakPolarHBondContact CB-NE2 3.43Å; S106-H181 PolarHBondContact OG-NE2 3.49Å; S106-H181 VanDerWaalsContact OG-NE2 3.1Å
107L95.9Very high91.8Very high42 Ų4265.3 Ų65.322%0.2235%0.347CS..EExtended strand (participates in β ladder)trans-68.4133.9-174-176.476.7000112.5R102 K103 R142 I167 Y168 F169R102-L107 PolarHBondContact O-N 3.45Å; K103-L107 HydrophobicContact CB-CD2 4.28Å; K103-L107 HydrophobicContact CG-CD2 4.07Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; L107-R142 PolarHBondContact O-NE 2.97Å; L107-R142 PolarHBondContact O-NH2 2.83Å; L107-I167 HydrophobicContact CD1-CB 3.73Å; L107-I167 HydrophobicContact CD1-CD1 3.81Å; L107-I167 HydrophobicContact CD1-CG1 4.05Å; L107-I167 HydrophobicContact CD1-CG2 4.35Å; L107-Y168 WeakPolarHBondContact CA-O 3.42Å; L107-F169 HydrophobicContact CB-CD1 4.32Å; L107-F169 HydrophobicContact CB-CE1 4.08Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CD2 4.45Å; L107-F169 HydrophobicContact CD1-CE1 3.75Å; L107-F169 HydrophobicContact CD1-CE2 3.89Å; L107-F169 HydrophobicContact CD1-CZ 3.52Å
108G94.6Very high90.2Very high13 Ų1370.3 Ų70.313%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-148.1174.6168.300000112.5I167 Y168G108-I167 WeakPolarHBondContact O-CA 3.24Å; G108-Y168 PolarHBondContact N-O 3.42Å; G108-Y168 WeakPolarHBondContact O-CD1 3.04Å; G108-Y168 PolarHBondContact O-N 3.42Å
109Q92.8Very high88.5Confident134 Ų13474.4 Ų74.463%0.62639%0.387SS*.EExtended strand (participates in β ladder)trans-122.7129.1175.2-172176.98.300109.5
110G90.9Very high87Confident12 Ų1282.5 Ų82.512%0.12442%0.423CS..  trans-75.3127.3-179.800000110
111V90.6Very high85.6Confident65 Ų6582 Ų8239%0.39442%0.423SS..EExtended strand (participates in β ladder)trans-104.5112.1178.3-174.90000108.9R113 F139V111-R113 HydrophobicContact CG1-CG 3.89Å; V111-F139 PolarHBondContact N-O 2.99Å; V111-F139 PolarHBondContact O-N 3.35Å
112A91.4Very high85Confident49 Ų4979.4 Ų79.441%0.40541%0.411SS..EExtended strand (participates in β ladder)trans-73.9125171.800000109.7G137A112-G137 CarbonylContact C-O 3.57Å; A112-G137 WeakPolarHBondContact CA-O 3.3Å
113R89.9Confident84.8Confident127 Ų12782.3 Ų82.348%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-131.4142177.9-56.3-179.8-168.3164.52.6109.6V111 Y136 G137 F139V111-R113 HydrophobicContact CG1-CG 3.89Å; R113-Y136 WeakPolarHBondContact O-CA 3.36Å; R113-G137 PolarHBondContact N-O 2.91Å; R113-G137 PolarHBondContact O-N 3.32Å; R113-F139 HydrophobicContact CB-CD2 3.97Å; R113-F139 HydrophobicContact CB-CE2 3.88Å; R113-F139 HydrophobicContact CG-CD2 4Å; R113-F139 HydrophobicContact CG-CE2 4.36Å
114L89.5Confident84.7Confident94 Ų9477 Ų7749%0.49241%0.407SS..EExtended strand (participates in β ladder)trans-72.4129.6170-173.769.8000108.8P116 G134 Y136L114-P116 WeakPolarHBondContact O-CD 3.19Å; L114-G134 WeakPolarHBondContact CD1-O 3.38Å; L114-Y136 HydrophobicContact CB-CD1 4.41Å; L114-Y136 HydrophobicContact CB-CE1 4.13Å; L114-Y136 HydrophobicContact CD1-CD2 3.96Å; L114-Y136 HydrophobicContact CD1-CE2 3.79Å; L114-Y136 HydrophobicContact CD1-CG 4.4Å
115L84.1Confident84.7Confident7 Ų773.8 Ų73.84%0.03739%0.392CS..PPolyproline II helixtrans-77.8121.1176.9-66.5178.2000110.6H122 L131 G134 E135 F139L115-H122 HydrophobicContact CD2-CB 4.41Å; L115-L131 HydrophobicContact CD1-CB 3.25Å; L115-L131 HydrophobicContact CD1-CD2 3.72Å; L115-L131 HydrophobicContact CD1-CG 4.09Å; L115-G134 WeakPolarHBondContact O-CA 3.33Å; L115-G134 PolarHBondContact O-N 3.49Å; L115-E135 WeakPolarHBondContact CB-O 3.34Å; L115-E135 HydrophobicContact CD1-CG 4.44Å; L115-E135 PolarHBondContact N-O 3.22Å; L115-F139 HydrophobicContact CD2-CE2 3.96Å; L115-F139 HydrophobicContact CD2-CZ 3.66Å
116P76.6Confident84.6Confident60 Ų6072.6 Ų72.639%0.3939%0.387SS..PPolyproline II helixtrans-56.8140.3177.8-2735.1000112.4L114 K118 L119L114-P116 WeakPolarHBondContact O-CD 3.19Å; P116-K118 PolarHBondContact O-N 2.93Å; P116-L119 HydrophobicContact CB-CD1 3.98Å; P116-L119 HydrophobicContact CB-CG 4.25Å; P116-L119 HydrophobicContact CG-CD1 3.54Å; P116-L119 HydrophobicContact CG-CG 4.34Å; P116-L119 PolarHBondContact O-N 3.03Å
117P69.5Low84.6Confident105 Ų10574.4 Ų74.468%0.68240%0.399SS*.THydrogen-bonded Turntrans-60.8-10.7177.4-24.633.6000115.6
118K63.5Low84.6Confident206 Ų20678.9 Ų78.990%0.89642%0.417SS*.THydrogen-bonded Turntrans-115.41.4-169.1-62-176.4179.5-179.40114.4P116P116-K118 PolarHBondContact O-N 2.93Å
119L60.5Low84.5Confident100 Ų10085.2 Ų85.252%0.52444%0.44SS..SBendtrans-92.7149.2-179.2-84.8168.9000111.7P116 G121P116-L119 HydrophobicContact CB-CD1 3.98Å; P116-L119 HydrophobicContact CB-CG 4.25Å; P116-L119 HydrophobicContact CG-CD1 3.54Å; P116-L119 HydrophobicContact CG-CG 4.34Å; P116-L119 PolarHBondContact O-N 3.03Å; L119-G121 PolarHBondContact O-N 2.9Å
120E65.4Low84.5Confident181 Ų18183.9 Ų83.985%0.84644%0.437SS*.PPolyproline II helixtrans-51.5130.9164.7-70.8178163.900108.9H122E120-H122 PolarHBondContact O-N 3.01Å; E120-H122 PolarHBondContact O-ND1 2.9Å
121G68.6Low84.5Confident42 Ų4283.5 Ų83.543%0.43343%0.432SS..PPolyproline II helixtrans-57.2132.8-17000000111.6L119L119-G121 PolarHBondContact O-N 2.9Å
122H83.2Confident84.3Confident29 Ų2985.2 Ų85.213%0.13444%0.439CS..PPolyproline II helixtrans-79.7134.6175.6-69.355.7000109.5L115 E120 L130 L131 F139 C148L115-H122 HydrophobicContact CD2-CB 4.41Å; E120-H122 PolarHBondContact O-N 3.01Å; E120-H122 PolarHBondContact O-ND1 2.9Å; H122-L130 WeakPolarHBondContact O-CA 3.32Å; H122-L131 VanDerWaalsContact O-CD1 3.3Å; H122-L131 WeakPolarHBondContact O-CD1 3.31Å; H122-L131 PolarHBondContact O-N 3.4Å; H122-F139 AromaticContact CD2-CE1 3.41Å; H122-F139 VanDerWaalsContact CD2-CE1 3.41Å; H122-F139 WeakPolarHBondContact CD2-CE1 3.43Å; H122-F139 AromaticContact CD2-CZ 3.52Å; H122-F139 AromaticContact NE2-CE1 3.62Å; H122-F139 AromaticContact NE2-CZ 3.67Å; H122-C148 HydrophobicContact CB-CB 4.48Å; H122-C148 WeakPolarHBondContact CB-SG 3.41Å
123T91.8Very high84Confident70 Ų7086.8 Ų86.843%0.42945%0.445SS..BIsolated β-bridgetrans-92.7127.3178.8-590000109.9E125 L130 C148T123-E125 PolarHBondContact O-N 3.02Å; T123-L130 WeakPolarHBondContact OG1-CD2 3.4Å; T123-C148 PolarHBondContact O-SG 2.97Å
124C94.3Very high83.6Confident0 Ų082.8 Ų82.80%044%0.444CS..BIsolated β-bridgetrans-67.2128.2177.41760000111.1K126 C127 K128 K129 L131 C148 H150C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.04Å; C124-C127 VanDerWaalsContact SG-SG 3.63Å; C124-K128 WeakPolarHBondContact O-CA 3.41Å; C124-K128 PolarHBondContact O-N 3.38Å; C124-K129 VanDerWaalsContact CB-O 3.31Å; C124-K129 WeakPolarHBondContact CB-O 3.43Å; C124-K129 PolarHBondContact N-O 2.92Å; C124-L131 HydrophobicContact CB-CD1 3.67Å; C124-C148 CarbonylContact C-O 3.58Å; C124-C148 WeakPolarHBondContact CA-O 3.38Å; C124-H150 WeakPolarHBondContact CB-CE1 3.41Å; C124-H150 WeakPolarHBondContact CB-ND1 3.49Å; C124-H150 PolarHBondContact SG-ND1 3.24Å
125E94.6Very high83.6Confident75 Ų7580.8 Ų80.835%0.3543%0.432SS..THydrogen-bonded Turntrans-65.5-30.1-177.8-79.3-57.3155.600114.3T123 K128 C148 W149T123-E125 PolarHBondContact O-N 3.02Å; E125-K128 WeakPolarHBondContact O-CD 3.37Å; E125-K128 WeakPolarHBondContact O-CE 3.25Å; E125-K128 PolarHBondContact O-NZ 2.9Å; E125-K128 IonicContact OE2-NZ 2.8Å; E125-K128 PolarHBondContact OE2-NZ 3.48Å; E125-C148 PolarHBondContact N-O 3.17Å; E125-W149 HydrophobicContact CB-CD2 4.25Å; E125-W149 HydrophobicContact CB-CH2 4.28Å; E125-W149 HydrophobicContact CB-CZ2 3.54Å; E125-W149 HydrophobicContact CG-CH2 4.03Å; E125-W149 HydrophobicContact CG-CZ2 3.77Å
126K94.5Very high83.9Confident102 Ų10286.8 Ų86.844%0.44346%0.455SS..THydrogen-bonded Turntrans-82.4-54.2-178.9-175174-178.6174.80113.2C124 C153C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.04Å; K126-C153 HydrophobicContact CB-CB 3.91Å; K126-C153 HydrophobicContact CD-CB 3.98Å; K126-C153 WeakPolarHBondContact CD-O 3.4Å; K126-C153 HydrophobicContact CG-CB 4.45Å
127C95.3Very high84.6Confident50 Ų5083.9 Ų83.934%0.33844%0.436SS..THydrogen-bonded Turntrans-96.8-5.7-173.669.60000113.9C124 K129 H150C124-C127 VanDerWaalsContact SG-SG 3.63Å; C127-K129 PolarHBondContact O-N 3.16Å; C127-K129 VanDerWaalsContact O-N 3.09Å; C127-H150 PolarHBondContact SG-CE1 3.03Å; C127-H150 PolarHBondContact SG-ND1 3.43Å
128K94.4Very high85.8Confident136 Ų13678.9 Ų78.959%0.59140%0.404SS*.  trans58.118.9-178.9-51.4-56.3-173.7-173.30114.5C124 E125C124-K128 WeakPolarHBondContact O-CA 3.41Å; C124-K128 PolarHBondContact O-N 3.38Å; E125-K128 WeakPolarHBondContact O-CD 3.37Å; E125-K128 WeakPolarHBondContact O-CE 3.25Å; E125-K128 PolarHBondContact O-NZ 2.9Å; E125-K128 IonicContact OE2-NZ 2.8Å; E125-K128 PolarHBondContact OE2-NZ 3.48Å
129K93.4Very high87.3Confident145 Ų14569.7 Ų69.763%0.6336%0.363SS*.PPolyproline II helixtrans-95.8150.3172.9-59.2-179.9-176.5-179.80110.3C124 C127C124-K129 VanDerWaalsContact CB-O 3.31Å; C124-K129 WeakPolarHBondContact CB-O 3.43Å; C124-K129 PolarHBondContact N-O 2.92Å; C127-K129 PolarHBondContact O-N 3.16Å; C127-K129 VanDerWaalsContact O-N 3.09Å
130L91.4Very high88.8Confident107 Ų10765 Ų6556%0.5634%0.339SS*.BIsolated β-bridgetrans-67.7140.6174.2-70169.6000110.8H122 T123H122-L130 WeakPolarHBondContact O-CA 3.32Å; T123-L130 WeakPolarHBondContact OG1-CD2 3.4Å
131L90.9Very high90Very high3 Ų360.1 Ų60.12%0.01633%0.33CS..PPolyproline II helixtrans-79.2140.3166.1-7580.9000109.6L115 H122 C124 E135 G137 C148L115-L131 HydrophobicContact CD1-CB 3.25Å; L115-L131 HydrophobicContact CD1-CD2 3.72Å; L115-L131 HydrophobicContact CD1-CG 4.09Å; H122-L131 VanDerWaalsContact O-CD1 3.3Å; H122-L131 WeakPolarHBondContact O-CD1 3.31Å; H122-L131 PolarHBondContact O-N 3.4Å; C124-L131 HydrophobicContact CB-CD1 3.67Å; L131-E135 WeakPolarHBondContact CA-OE1 3.36Å; L131-E135 HydrophobicContact CB-CG 4.37Å; L131-E135 WeakPolarHBondContact CB-OE1 3.33Å; L131-E135 WeakPolarHBondContact CG-OE1 3.39Å; L131-G137 VanDerWaalsContact CD2-CA 3.47Å; L131-C148 WeakPolarHBondContact CD1-SG 3.3Å
132N86.9Confident91.2Very high101 Ų10163.2 Ų63.254%0.5433%0.328SS..PPolyproline II helixtrans-72.9139.7179.8-57.7-64.6000111.3G134 E135N132-G134 PolarHBondContact O-N 3.49Å; N132-E135 HydrophobicContact CB-CG 4.38Å; N132-E135 WeakPolarHBondContact CB-OE2 3.4Å; N132-E135 PolarHBondContact N-OE1 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.87Å; N132-E135 VanDerWaalsContact O-CG 3.25Å; N132-E135 WeakPolarHBondContact O-CG 3.48Å; N132-E135 PolarHBondContact O-N 3.02Å; N132-E135 VanDerWaalsContact O-N 3.13Å
133P85Confident91.6Very high83 Ų8362.6 Ų62.654%0.53933%0.328SS..THydrogen-bonded Turntrans-57134.7170.5-20.931.5000110.9
134G83.2Confident91.5Very high43 Ų4360.6 Ų60.644%0.44332%0.322SS..THydrogen-bonded Turntrans840.4-17700000115.4L114 L115 N132L114-G134 WeakPolarHBondContact CD1-O 3.38Å; L115-G134 WeakPolarHBondContact O-CA 3.33Å; L115-G134 PolarHBondContact O-N 3.49Å; N132-G134 PolarHBondContact O-N 3.49Å
135E88.4Confident91Very high52 Ų5268.2 Ų68.224%0.24336%0.358CS..SBendtrans-94.7164170.691.3-170.3178.400112.4L115 L131 N132 H150L115-E135 WeakPolarHBondContact CB-O 3.34Å; L115-E135 HydrophobicContact CD1-CG 4.44Å; L115-E135 PolarHBondContact N-O 3.22Å; L131-E135 WeakPolarHBondContact CA-OE1 3.36Å; L131-E135 HydrophobicContact CB-CG 4.37Å; L131-E135 WeakPolarHBondContact CB-OE1 3.33Å; L131-E135 WeakPolarHBondContact CG-OE1 3.39Å; N132-E135 HydrophobicContact CB-CG 4.38Å; N132-E135 WeakPolarHBondContact CB-OE2 3.4Å; N132-E135 PolarHBondContact N-OE1 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.87Å; N132-E135 VanDerWaalsContact O-CG 3.25Å; N132-E135 WeakPolarHBondContact O-CG 3.48Å; N132-E135 PolarHBondContact O-N 3.02Å; N132-E135 VanDerWaalsContact O-N 3.13Å; E135-H150 IonicContact OE1-CD2 3.5Å; E135-H150 PolarHBondContact OE1-CD2 2.85Å; E135-H150 IonicContact OE1-NE2 3.76Å
136Y90.4Very high90.5Very high132 Ų13271.2 Ų71.252%0.51837%0.372SS..EExtended strand (participates in β ladder)trans-86.2121.7176-76.6-93.7000111.3R113 L114R113-Y136 WeakPolarHBondContact O-CA 3.36Å; L114-Y136 HydrophobicContact CB-CD1 4.41Å; L114-Y136 HydrophobicContact CB-CE1 4.13Å; L114-Y136 HydrophobicContact CD1-CD2 3.96Å; L114-Y136 HydrophobicContact CD1-CE2 3.79Å; L114-Y136 HydrophobicContact CD1-CG 4.4Å
137G92.4Very high90.3Very high0 Ų067.1 Ų67.10%036%0.356CS..EExtended strand (participates in β ladder)trans-102.6149.7167.800000111.5A112 R113 L131A112-G137 CarbonylContact C-O 3.57Å; A112-G137 WeakPolarHBondContact CA-O 3.3Å; R113-G137 PolarHBondContact N-O 2.91Å; R113-G137 PolarHBondContact O-N 3.32Å; L131-G137 VanDerWaalsContact CD2-CA 3.47Å
138V94.6Very high90.2Very high0 Ų064.8 Ų64.80%034%0.34CS..EExtended strand (participates in β ladder)trans-99.5128.3171.4-172.80000108.4C148 W149 R151 F154 I164V138-C148 CarbonylContact O-C 3.52Å; V138-C148 VanDerWaalsContact O-CA 3.29Å; V138-C148 WeakPolarHBondContact O-CA 3.24Å; V138-W149 PolarHBondContact N-O 2.75Å; V138-W149 PolarHBondContact O-N 3Å; V138-R151 HydrophobicContact CG2-CG 4.33Å; V138-F154 HydrophobicContact CB-CB 4.11Å; V138-F154 HydrophobicContact CB-CD2 4Å; V138-F154 HydrophobicContact CB-CG 3.96Å; V138-F154 HydrophobicContact CG1-CB 4.31Å; V138-F154 HydrophobicContact CG1-CD1 3.85Å; V138-F154 HydrophobicContact CG1-CD2 3.68Å; V138-F154 HydrophobicContact CG1-CE1 4.04Å; V138-F154 HydrophobicContact CG1-CE2 3.89Å; V138-F154 HydrophobicContact CG1-CG 3.65Å; V138-F154 HydrophobicContact CG1-CZ 4.06Å; V138-F154 HydrophobicContact CG2-CB 4.18Å; V138-F154 HydrophobicContact CG2-CG 4.41Å; V138-I164 HydrophobicContact CG2-CD1 3.67Å; V138-I164 HydrophobicContact CG2-CG1 4.01Å
139F93.1Very high90.3Very high12 Ų1258.9 Ų58.95%0.05331%0.314CS..EExtended strand (participates in β ladder)trans-109.2140.4179.7-69-100.5000110.4V111 R113 L115 H122 C148V111-F139 PolarHBondContact N-O 2.99Å; V111-F139 PolarHBondContact O-N 3.35Å; R113-F139 HydrophobicContact CB-CD2 3.97Å; R113-F139 HydrophobicContact CB-CE2 3.88Å; R113-F139 HydrophobicContact CG-CD2 4Å; R113-F139 HydrophobicContact CG-CE2 4.36Å; L115-F139 HydrophobicContact CD2-CE2 3.96Å; L115-F139 HydrophobicContact CD2-CZ 3.66Å; H122-F139 AromaticContact CD2-CE1 3.41Å; H122-F139 VanDerWaalsContact CD2-CE1 3.41Å; H122-F139 WeakPolarHBondContact CD2-CE1 3.43Å; H122-F139 AromaticContact CD2-CZ 3.52Å; H122-F139 AromaticContact NE2-CE1 3.62Å; H122-F139 AromaticContact NE2-CZ 3.67Å; F139-C148 HydrophobicContact CD1-CB 3.98Å; F139-C148 HydrophobicContact CE1-CB 3.82Å; F139-C148 HydrophobicContact CE2-CB 4.5Å; F139-C148 HydrophobicContact CG-CB 4.42Å; F139-C148 HydrophobicContact CZ-CB 4.09Å
140A93.6Very high90.3Very high1 Ų153.9 Ų53.91%0.00829%0.293CS..  trans-130.7100.8-178.500000111R142 A143 S147 W149 F154 Y168A140-R142 PolarHBondContact O-N 3.47Å; A140-R142 VanDerWaalsContact O-N 3.11Å; A140-A143 HydrophobicContact CB-CB 4.35Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 3.28Å; A140-S147 PolarHBondContact N-O 3.15Å; A140-W149 HydrophobicContact CB-CE3 4.21Å; A140-W149 HydrophobicContact CB-CH2 3.92Å; A140-W149 HydrophobicContact CB-CZ3 3.47Å; A140-W149 VanDerWaalsContact CB-CZ3 3.47Å; A140-F154 HydrophobicContact CB-CE2 3.85Å; A140-F154 HydrophobicContact CB-CZ 4.23Å; A140-Y168 WeakPolarHBondContact CA-OH 3.43Å; A140-Y168 HydrophobicContact CB-CE1 3.82Å; A140-Y168 HydrophobicContact CB-CE2 4.15Å; A140-Y168 VanDerWaalsContact CB-CZ 3.47Å; A140-Y168 VanDerWaalsContact CB-OH 3.23Å; A140-Y168 WeakPolarHBondContact CB-OH 3.43Å
141A91Very high90.4Very high80 Ų8055.9 Ų55.966%0.66129%0.293SS*.G310 helixtrans-55.6-33.1-175.800000113.9A143 G144A141-A143 PolarHBondContact O-N 3.08Å; A141-G144 PolarHBondContact O-N 2.93Å
142R92.4Very high90.5Very high106 Ų10660.1 Ų60.140%0.433%0.328SS..G310 helixtrans-64.3-26.1177.6-72.2-65.6-173.2162.1-0.5113.9K103 Q104 K105 L107 A140 Y168 Y170K103-R142 PolarHBondContact O-NH2 2.65Å; Q104-R142 VanDerWaalsContact O-CZ 3.23Å; Q104-R142 PolarHBondContact O-NH1 3.28Å; Q104-R142 PolarHBondContact O-NH2 2.99Å; K105-R142 PolarHBondContact O-NH1 3.28Å; K105-R142 VanDerWaalsContact O-NH1 3.13Å; L107-R142 PolarHBondContact O-NE 2.97Å; L107-R142 PolarHBondContact O-NH2 2.83Å; A140-R142 PolarHBondContact O-N 3.47Å; A140-R142 VanDerWaalsContact O-N 3.11Å; R142-Y168 HydrophobicContact CB-CE2 3.99Å; R142-Y168 HydrophobicContact CG-CE2 4.32Å; R142-Y168 PolarHBondContact N-OH 3.4Å; R142-Y170 HydrophobicContact CB-CD1 4.49Å; R142-Y170 HydrophobicContact CB-CG 4.42Å; R142-Y170 WeakPolarHBondContact O-CD1 3.36Å
143A91.7Very high91Very high16 Ų1656.3 Ų56.313%0.13231%0.309CS..G310 helixtrans-93.20.5177.800000112.6A140 A141 S147 W149 Y170A140-A143 HydrophobicContact CB-CB 4.35Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 3.28Å; A141-A143 PolarHBondContact O-N 3.08Å; A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-OG 2.79Å; A143-W149 HydrophobicContact CB-CH2 3.45Å; A143-W149 VanDerWaalsContact CB-CH2 3.45Å; A143-W149 HydrophobicContact CB-CZ2 4.13Å; A143-W149 HydrophobicContact CB-CZ3 4.41Å; A143-Y170 HydrophobicContact CB-CD1 4.34Å; A143-Y170 HydrophobicContact CB-CD2 3.78Å; A143-Y170 HydrophobicContact CB-CE1 4.03Å; A143-Y170 HydrophobicContact CB-CE2 3.41Å; A143-Y170 VanDerWaalsContact CB-CE2 3.41Å; A143-Y170 HydrophobicContact CB-CG 4.21Å
144G90.3Very high91.5Very high29 Ų2952.4 Ų52.430%0.29928%0.284SS..  trans118.3146.1-173.800000112.3A141 Q146 S147A141-G144 PolarHBondContact O-N 2.93Å; G144-Q146 PolarHBondContact O-N 2.92Å; G144-S147 WeakPolarHBondContact O-CB 3.36Å; G144-S147 PolarHBondContact O-N 3.06Å; G144-S147 VanDerWaalsContact O-N 3.16Å
145E83.4Confident92.2Very high160 Ų16050.7 Ų50.775%0.74827%0.265SS*.THydrogen-bonded Turntrans-63-29.9-175.2-67.7-178.3173.100113.8
146Q83.4Confident92.6Very high138 Ų13848.2 Ų48.265%0.64525%0.254SS*.THydrogen-bonded Turntrans-98.6-3.3-179.6-57.3-57.3-40.500112.8G144 C148G144-Q146 PolarHBondContact O-N 2.92Å; Q146-C148 PolarHBondContact O-N 3Å
147S91.9Very high93Very high16 Ų1646.9 Ų46.911%0.11225%0.252CS..  trans-72.4126.4-177.2-560000109.5A140 A143 G144 W149A140-S147 PolarHBondContact N-O 3.15Å; A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-OG 2.79Å; G144-S147 WeakPolarHBondContact O-CB 3.36Å; G144-S147 PolarHBondContact O-N 3.06Å; G144-S147 VanDerWaalsContact O-N 3.16Å; S147-W149 VanDerWaalsContact O-CZ3 3.24Å; S147-W149 WeakPolarHBondContact O-CZ3 3.42Å
148C92.9Very high93.2Very high0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-137.7157.6-174.182.40000112.5H122 T123 C124 E125 L131 V138 F139 Q146H122-C148 HydrophobicContact CB-CB 4.48Å; H122-C148 WeakPolarHBondContact CB-SG 3.41Å; T123-C148 PolarHBondContact O-SG 2.97Å; C124-C148 CarbonylContact C-O 3.58Å; C124-C148 WeakPolarHBondContact CA-O 3.38Å; E125-C148 PolarHBondContact N-O 3.17Å; L131-C148 WeakPolarHBondContact CD1-SG 3.3Å; V138-C148 CarbonylContact O-C 3.52Å; V138-C148 VanDerWaalsContact O-CA 3.29Å; V138-C148 WeakPolarHBondContact O-CA 3.24Å; F139-C148 HydrophobicContact CD1-CB 3.98Å; F139-C148 HydrophobicContact CE1-CB 3.82Å; F139-C148 HydrophobicContact CE2-CB 4.5Å; F139-C148 HydrophobicContact CG-CB 4.42Å; F139-C148 HydrophobicContact CZ-CB 4.09Å; Q146-C148 PolarHBondContact O-N 3Å
149W95.3Very high93.3Very high13 Ų1352 Ų525%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-135.4147.3176.6-64.2-105.5000109.9E125 V138 A140 A143 S147 C153 F154 L175E125-W149 HydrophobicContact CB-CD2 4.25Å; E125-W149 HydrophobicContact CB-CH2 4.28Å; E125-W149 HydrophobicContact CB-CZ2 3.54Å; E125-W149 HydrophobicContact CG-CH2 4.03Å; E125-W149 HydrophobicContact CG-CZ2 3.77Å; V138-W149 PolarHBondContact N-O 2.75Å; V138-W149 PolarHBondContact O-N 3Å; A140-W149 HydrophobicContact CB-CE3 4.21Å; A140-W149 HydrophobicContact CB-CH2 3.92Å; A140-W149 HydrophobicContact CB-CZ3 3.47Å; A140-W149 VanDerWaalsContact CB-CZ3 3.47Å; A143-W149 HydrophobicContact CB-CH2 3.45Å; A143-W149 VanDerWaalsContact CB-CH2 3.45Å; A143-W149 HydrophobicContact CB-CZ2 4.13Å; A143-W149 HydrophobicContact CB-CZ3 4.41Å; S147-W149 VanDerWaalsContact O-CZ3 3.24Å; S147-W149 WeakPolarHBondContact O-CZ3 3.42Å; W149-C153 HydrophobicContact CB-CB 4.15Å; W149-F154 HydrophobicContact CB-CB 3.97Å; W149-F154 HydrophobicContact CB-CD2 3.89Å; W149-F154 HydrophobicContact CB-CG 4.46Å; W149-F154 AromaticContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CE2 4.11Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CG-CB 4.48Å; W149-F154 AromaticContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CZ3-CE2 4.37Å; W149-L175 HydrophobicContact CD2-CD1 4.15Å; W149-L175 HydrophobicContact CG-CD1 4.47Å; W149-L175 HydrophobicContact CZ2-CD1 4.16Å
150H94.9Very high93.4Very high39 Ų3953.8 Ų53.818%0.18131%0.313CS..EExtended strand (participates in β ladder)trans-56.2150.6156.4-58.3100.5000109.5C124 C127 E135 A152 C153 F154C124-H150 WeakPolarHBondContact CB-CE1 3.41Å; C124-H150 WeakPolarHBondContact CB-ND1 3.49Å; C124-H150 PolarHBondContact SG-ND1 3.24Å; C127-H150 PolarHBondContact SG-CE1 3.03Å; C127-H150 PolarHBondContact SG-ND1 3.43Å; E135-H150 IonicContact OE1-CD2 3.5Å; E135-H150 PolarHBondContact OE1-CD2 2.85Å; E135-H150 IonicContact OE1-NE2 3.76Å; H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 2.68Å; H150-C153 HydrophobicContact CB-CB 3.94Å; H150-C153 CarbonylContact O-C 3.57Å; H150-C153 WeakPolarHBondContact O-CA 3.28Å; H150-C153 WeakPolarHBondContact O-CB 3.28Å; H150-C153 PolarHBondContact O-N 2.86Å; H150-F154 PolarHBondContact O-N 2.95Å
151R92.8Very high93.4Very high150 Ų15055.8 Ų55.857%0.56632%0.322SS*.G310 helixtrans-50.9-46177.9-62176.568.1-153.21.7112.7V138 C153 F154 I164V138-R151 HydrophobicContact CG2-CG 4.33Å; R151-C153 VanDerWaalsContact C-N 3.31Å; R151-C153 PolarHBondContact O-N 2.71Å; R151-F154 PolarHBondContact O-N 2.83Å; R151-I164 HydrophobicContact CB-CD1 4Å; R151-I164 HydrophobicContact CG-CD1 3.93Å
152A93.5Very high93.6Very high91 Ų9154.5 Ų54.575%0.75231%0.312SS*.G310 helixtrans-73.4-21.3177.600000113.8H150H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 2.68Å
153C96.1Very high93.7Very high22 Ų2249.5 Ų49.515%0.14929%0.293CS..G310 helixtrans-81.8-20.9176.6-74.80000112.6K126 W149 H150 R151 A155K126-C153 HydrophobicContact CB-CB 3.91Å; K126-C153 HydrophobicContact CD-CB 3.98Å; K126-C153 WeakPolarHBondContact CD-O 3.4Å; K126-C153 HydrophobicContact CG-CB 4.45Å; W149-C153 HydrophobicContact CB-CB 4.15Å; H150-C153 HydrophobicContact CB-CB 3.94Å; H150-C153 CarbonylContact O-C 3.57Å; H150-C153 WeakPolarHBondContact O-CA 3.28Å; H150-C153 WeakPolarHBondContact O-CB 3.28Å; H150-C153 PolarHBondContact O-N 2.86Å; R151-C153 VanDerWaalsContact C-N 3.31Å; R151-C153 PolarHBondContact O-N 2.71Å; C153-A155 VanDerWaalsContact C-N 3.27Å; C153-A155 PolarHBondContact O-N 3.23Å
154F96.9Very high93.5Very high0 Ų050.3 Ų50.30%030%0.295CS..  trans-78.876.3178-159.4-97.4000111V138 A140 W149 H150 R151 L163 Y168 L175V138-F154 HydrophobicContact CB-CB 4.11Å; V138-F154 HydrophobicContact CB-CD2 4Å; V138-F154 HydrophobicContact CB-CG 3.96Å; V138-F154 HydrophobicContact CG1-CB 4.31Å; V138-F154 HydrophobicContact CG1-CD1 3.85Å; V138-F154 HydrophobicContact CG1-CD2 3.68Å; V138-F154 HydrophobicContact CG1-CE1 4.04Å; V138-F154 HydrophobicContact CG1-CE2 3.89Å; V138-F154 HydrophobicContact CG1-CG 3.65Å; V138-F154 HydrophobicContact CG1-CZ 4.06Å; V138-F154 HydrophobicContact CG2-CB 4.18Å; V138-F154 HydrophobicContact CG2-CG 4.41Å; A140-F154 HydrophobicContact CB-CE2 3.85Å; A140-F154 HydrophobicContact CB-CZ 4.23Å; W149-F154 HydrophobicContact CB-CB 3.97Å; W149-F154 HydrophobicContact CB-CD2 3.89Å; W149-F154 HydrophobicContact CB-CG 4.46Å; W149-F154 AromaticContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CE2 4.11Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CG-CB 4.48Å; W149-F154 AromaticContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CZ3-CE2 4.37Å; H150-F154 PolarHBondContact O-N 2.95Å; R151-F154 PolarHBondContact O-N 2.83Å; F154-L163 HydrophobicContact CD1-CB 3.82Å; F154-L163 HydrophobicContact CE1-CB 3.79Å; F154-L163 PolarHBondContact O-N 3.21Å; F154-Y168 HydrophobicContact CE1-CD1 4Å; F154-Y168 HydrophobicContact CE1-CG 4.46Å; F154-Y168 AromaticContact CZ-CD1 3.48Å; F154-Y168 HydrophobicContact CZ-CD1 3.48Å; F154-Y168 VanDerWaalsContact CZ-CD1 3.48Å; F154-Y168 AromaticContact CZ-CE1 3.82Å; F154-Y168 HydrophobicContact CZ-CE1 3.82Å; F154-Y168 AromaticContact CZ-CG 3.96Å; F154-Y168 HydrophobicContact CZ-CG 3.96Å; F154-L175 HydrophobicContact CD2-CD1 3.49Å; F154-L175 VanDerWaalsContact CD2-CD1 3.49Å; F154-L175 HydrophobicContact CE2-CD1 3.4Å; F154-L175 HydrophobicContact CE2-CD2 4.11Å; F154-L175 HydrophobicContact CE2-CG 4.42Å; F154-L175 HydrophobicContact CG-CD1 4.21Å; F154-L175 HydrophobicContact CZ-CD1 4.05Å; F154-L175 HydrophobicContact CZ-CD2 4.28Å
155A97Very high93.1Very high7 Ų754.9 Ų54.96%0.05831%0.312CS..BIsolated β-bridgetrans-140.4155.3-171.200000111.2C153 Q157 G160 Q161C153-A155 VanDerWaalsContact C-N 3.27Å; C153-A155 PolarHBondContact O-N 3.23Å; A155-Q157 PolarHBondContact O-N 2.92Å; A155-G160 WeakPolarHBondContact CB-O 3.49Å; A155-Q161 CarbonylContact C-O 3.48Å; A155-Q161 VanDerWaalsContact CA-O 3.25Å; A155-Q161 WeakPolarHBondContact CA-O 3.36Å; A155-Q161 WeakPolarHBondContact CB-O 3.49Å
156C97.5Very high93.2Very high1 Ų149.4 Ų49.41%0.00729%0.288CS..  trans-61.8133.5176177.60000110.6A158 G160 Q161 L163 L175 C177C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.03Å; C156-A158 PolarHBondContact SG-N 3.25Å; C156-G160 WeakPolarHBondContact O-CA 3.37Å; C156-G160 PolarHBondContact O-N 3.02Å; C156-Q161 PolarHBondContact N-O 3.45Å; C156-L163 HydrophobicContact CB-CD1 4.12Å; C156-L163 HydrophobicContact CB-CD2 4.33Å; C156-L163 HydrophobicContact CB-CG 4.33Å; C156-L175 CarbonylContact C-O 3.54Å; C156-L175 WeakPolarHBondContact CA-O 3.32Å; C156-C177 HydrophobicContact CB-CB 4.36Å; C156-C177 PolarHBondContact SG-N 2.95Å; C156-C177 VanDerWaalsContact SG-N 3.42Å
157Q97.6Very high93.7Very high103 Ų10346 Ų4648%0.48127%0.274SS..THydrogen-bonded Turntrans-63.1-33.1178.6-177.66029.200112.7A155 H174 L175 Y176A155-Q157 PolarHBondContact O-N 2.92Å; Q157-H174 HydrophobicContact CB-CB 4.22Å; Q157-H174 HydrophobicContact CG-CB 4.35Å; Q157-L175 PolarHBondContact N-O 3.03Å; Q157-Y176 HydrophobicContact CB-CD1 4.37Å; Q157-Y176 HydrophobicContact CB-CE1 3.9Å; Q157-Y176 HydrophobicContact CG-CE1 4.47Å
158A97.3Very high93.9Very high63 Ų6345.3 Ų45.352%0.52127%0.269SS..THydrogen-bonded Turntrans-82.8-49.6-175.600000113.4C156 H180C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.03Å; C156-A158 PolarHBondContact SG-N 3.25Å; A158-H180 HydrophobicContact CB-CB 3.86Å; A158-H180 VanDerWaalsContact CB-CG 3.46Å
159C96Very high94.1Very high46 Ų4645.7 Ų45.731%0.31127%0.27SS..THydrogen-bonded Turntrans-103-7.9-178.659.50000115.5Q161 H180C159-Q161 HydrophobicContact CB-CG 4.36Å; C159-Q161 PolarHBondContact O-N 3.27Å; C159-Q161 PolarHBondContact SG-OE1 2.83Å; C159-H180 WeakPolarHBondContact CB-CE1 3.45Å; C159-H180 VanDerWaalsContact SG-CE1 3.54Å
160G95.6Very high94.2Very high48 Ų4848 Ų4850%0.49528%0.279SS..  trans69.6-1.5-177.400000115.3A155 C156A155-G160 WeakPolarHBondContact CB-O 3.49Å; C156-G160 WeakPolarHBondContact O-CA 3.37Å; C156-G160 PolarHBondContact O-N 3.02Å
161Q94.5Very high94.3Very high43 Ų4348.6 Ų48.620%0.20128%0.282CS..  trans-66.7141.4177.3-68.7174.7-33.400110.9A155 C156 C159A155-Q161 CarbonylContact C-O 3.48Å; A155-Q161 VanDerWaalsContact CA-O 3.25Å; A155-Q161 WeakPolarHBondContact CA-O 3.36Å; A155-Q161 WeakPolarHBondContact CB-O 3.49Å; C156-Q161 PolarHBondContact N-O 3.45Å; C159-Q161 HydrophobicContact CB-CG 4.36Å; C159-Q161 PolarHBondContact O-N 3.27Å; C159-Q161 PolarHBondContact SG-OE1 2.83Å
162A94Very high94.4Very high53 Ų5346.7 Ų46.744%0.43828%0.283SS..BIsolated β-bridgetrans-61141.8178.100000111.1Q73 I164Q73-A162 PolarHBondContact NE2-O 3.41Å; A162-I164 HydrophobicContact CB-CG2 4.25Å
163L95.1Very high94.4Very high2 Ų244.6 Ų44.61%0.0127%0.27CS..  trans-112.55.1176-62174.7000111.7F154 C156 N165 L166 L175 C177F154-L163 HydrophobicContact CD1-CB 3.82Å; F154-L163 HydrophobicContact CE1-CB 3.79Å; F154-L163 PolarHBondContact O-N 3.21Å; C156-L163 HydrophobicContact CB-CD1 4.12Å; C156-L163 HydrophobicContact CB-CD2 4.33Å; C156-L163 HydrophobicContact CB-CG 4.33Å; L163-N165 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-L166 VanDerWaalsContact O-N 3.16Å; L163-L175 HydrophobicContact CD1-CB 4.06Å; L163-C177 HydrophobicContact CD2-CB 3.78Å
164I87.6Confident94.4Very high32 Ų3247.4 Ų47.416%0.16428%0.281CS..THydrogen-bonded Turntrans-62.1136.7177.5-165.1168.4000109.2V138 R151 A162 L166V138-I164 HydrophobicContact CG2-CD1 3.67Å; V138-I164 HydrophobicContact CG2-CG1 4.01Å; R151-I164 HydrophobicContact CB-CD1 4Å; R151-I164 HydrophobicContact CG-CD1 3.93Å; A162-I164 HydrophobicContact CB-CG2 4.25Å; I164-L166 PolarHBondContact O-N 2.86Å
165N82.5Confident94.4Very high126 Ų12647.8 Ų47.867%0.67428%0.283SS*.THydrogen-bonded Turntrans67.82.9-175.1-47.4-39.6000115.9L163L163-N165 PolarHBondContact O-N 3.42Å
166L84.8Confident94.5Very high45 Ų4548.9 Ų48.924%0.23629%0.286CS..SBendtrans-113.2168.9175.8-59.4179.7000110.9L70 L163 I164L70-L166 HydrophobicContact CD1-CD1 4.28Å; L70-L166 HydrophobicContact CD1-CD2 3.7Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-L166 VanDerWaalsContact O-N 3.16Å; I164-L166 PolarHBondContact O-N 2.86Å
167I93.4Very high94.5Very high67 Ų6748.9 Ų48.934%0.34429%0.286SS..EExtended strand (participates in β ladder)trans-71.2143.3164.465.1-177.6000109.7L74 L107 G108 F169L74-I167 HydrophobicContact CD1-CD1 3.96Å; L74-I167 HydrophobicContact CD1-CG1 3.75Å; L74-I167 HydrophobicContact CD2-CD1 3.84Å; L74-I167 HydrophobicContact CD2-CG1 3.73Å; L74-I167 HydrophobicContact CG-CG1 4.42Å; L107-I167 HydrophobicContact CD1-CB 3.73Å; L107-I167 HydrophobicContact CD1-CD1 3.81Å; L107-I167 HydrophobicContact CD1-CG1 4.05Å; L107-I167 HydrophobicContact CD1-CG2 4.35Å; G108-I167 WeakPolarHBondContact O-CA 3.24Å; I167-F169 HydrophobicContact CD1-CE2 4.49Å
168Y96.6Very high94.5Very high1 Ų144.2 Ų44.20%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-123.1163.2173.968.9-93.5000109.9L107 G108 A140 R142 F154 L175L107-Y168 WeakPolarHBondContact CA-O 3.42Å; G108-Y168 PolarHBondContact N-O 3.42Å; G108-Y168 WeakPolarHBondContact O-CD1 3.04Å; G108-Y168 PolarHBondContact O-N 3.42Å; A140-Y168 WeakPolarHBondContact CA-OH 3.43Å; A140-Y168 HydrophobicContact CB-CE1 3.82Å; A140-Y168 HydrophobicContact CB-CE2 4.15Å; A140-Y168 VanDerWaalsContact CB-CZ 3.47Å; A140-Y168 VanDerWaalsContact CB-OH 3.23Å; A140-Y168 WeakPolarHBondContact CB-OH 3.43Å; R142-Y168 HydrophobicContact CB-CE2 3.99Å; R142-Y168 HydrophobicContact CG-CE2 4.32Å; R142-Y168 PolarHBondContact N-OH 3.4Å; F154-Y168 HydrophobicContact CE1-CD1 4Å; F154-Y168 HydrophobicContact CE1-CG 4.46Å; F154-Y168 AromaticContact CZ-CD1 3.48Å; F154-Y168 HydrophobicContact CZ-CD1 3.48Å; F154-Y168 VanDerWaalsContact CZ-CD1 3.48Å; F154-Y168 AromaticContact CZ-CE1 3.82Å; F154-Y168 HydrophobicContact CZ-CE1 3.82Å; F154-Y168 AromaticContact CZ-CG 3.96Å; F154-Y168 HydrophobicContact CZ-CG 3.96Å; Y168-L175 HydrophobicContact CD2-CD2 3.47Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.47Å; Y168-L175 HydrophobicContact CE2-CD2 3.86Å; Y168-L175 HydrophobicContact CG-CD2 4.03Å
169F97.4Very high94.5Very high8 Ų843.4 Ų43.44%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-118.8122.9170.2-63-100.4000109.2L74 R102 S106 L107 I167 Y176 H181L74-F169 HydrophobicContact CD2-CE2 4.43Å; R102-F169 HydrophobicContact CB-CD1 4.34Å; R102-F169 HydrophobicContact CB-CE1 3.93Å; S106-F169 CarbonylContact O-C 3.55Å; S106-F169 WeakPolarHBondContact O-CA 3.23Å; L107-F169 HydrophobicContact CB-CD1 4.32Å; L107-F169 HydrophobicContact CB-CE1 4.08Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CD2 4.45Å; L107-F169 HydrophobicContact CD1-CE1 3.75Å; L107-F169 HydrophobicContact CD1-CE2 3.89Å; L107-F169 HydrophobicContact CD1-CZ 3.52Å; I167-F169 HydrophobicContact CD1-CE2 4.49Å; F169-Y176 PolarHBondContact N-O 3.24Å; F169-Y176 PolarHBondContact O-N 3.09Å; F169-H181 HydrophobicContact CB-CB 3.63Å; F169-H181 WeakPolarHBondContact CB-CD2 3.41Å; F169-H181 VanDerWaalsContact CB-CG 3.4Å; F169-H181 HydrophobicContact CD1-CB 4.48Å; F169-H181 AromaticContact CD1-CG 3.98Å; F169-H181 AromaticContact CD1-ND1 3.87Å; F169-H181 HydrophobicContact CD2-CB 4.28Å; F169-H181 HydrophobicContact CG-CB 3.89Å; F169-H181 AromaticContact CG-CG 3.76Å
170Y97.5Very high94.6Very high61 Ų6143 Ų4324%0.23924%0.242CC..EExtended strand (participates in β ladder)trans-95.1125.6175.9-172.4-110.3000110S106 R142 A143 G173 H174 L175S106-Y170 VanDerWaalsContact CB-O 3.3Å; S106-Y170 WeakPolarHBondContact CB-O 3.4Å; S106-Y170 PolarHBondContact O-N 3.04Å; S106-Y170 PolarHBondContact OG-O 3.28Å; R142-Y170 HydrophobicContact CB-CD1 4.49Å; R142-Y170 HydrophobicContact CB-CG 4.42Å; R142-Y170 WeakPolarHBondContact O-CD1 3.36Å; A143-Y170 HydrophobicContact CB-CD1 4.34Å; A143-Y170 HydrophobicContact CB-CD2 3.78Å; A143-Y170 HydrophobicContact CB-CE1 4.03Å; A143-Y170 HydrophobicContact CB-CE2 3.41Å; A143-Y170 VanDerWaalsContact CB-CE2 3.41Å; A143-Y170 HydrophobicContact CB-CG 4.21Å; Y170-G173 VanDerWaalsContact CE2-C 3.42Å; Y170-G173 WeakPolarHBondContact CE2-O 3.29Å; Y170-G173 WeakPolarHBondContact OH-CA 3.43Å; Y170-H174 WeakPolarHBondContact CA-O 3.38Å; Y170-H174 WeakPolarHBondContact CD2-O 3.46Å; Y170-L175 HydrophobicContact CD2-CD2 3.96Å
171H96.6Very high94.7Very high51 Ų5140.8 Ų40.824%0.23622%0.219CC..EExtended strand (participates in β ladder)trans-148.4128.9-178-170.478.8000109.2G173 H174 Y176H171-G173 VanDerWaalsContact C-N 3.27Å; H171-G173 PolarHBondContact O-N 3.47Å; H171-G173 VanDerWaalsContact O-N 3.15Å; H171-H174 PolarHBondContact N-O 2.97Å; H171-H174 PolarHBondContact O-N 3.49Å; H171-Y176 HydrophobicContact CB-CD2 4.08Å; H171-Y176 HydrophobicContact CB-CE2 4.05Å
172D94.7Very high94.9Very high111 Ų11138.8 Ų38.859%0.59421%0.209SC*.THydrogen-bonded Turntrans45.646.5177.3-62.2-13.3000114.4H174D172-H174 VanDerWaalsContact C-N 3.31Å; D172-H174 PolarHBondContact O-CE1 3.45Å; D172-H174 PolarHBondContact O-N 3.15Å; D172-H174 PolarHBondContact O-ND1 3.4Å
173G93.9Very high95Very high47 Ų4739.3 Ų39.349%0.48520%0.203SC..THydrogen-bonded Turntrans86-6.9178.100000115.4Y170 H171Y170-G173 VanDerWaalsContact CE2-C 3.42Å; Y170-G173 WeakPolarHBondContact CE2-O 3.29Å; Y170-G173 WeakPolarHBondContact OH-CA 3.43Å; H171-G173 VanDerWaalsContact C-N 3.27Å; H171-G173 PolarHBondContact O-N 3.47Å; H171-G173 VanDerWaalsContact O-N 3.15Å
174H96.4Very high95.1Very high81 Ų8143.4 Ų43.438%0.37522%0.224SC..EExtended strand (participates in β ladder)trans-119.9155.4-170.6-57.390.6000112.7Q157 Y170 H171 D172 Y176Q157-H174 HydrophobicContact CB-CB 4.22Å; Q157-H174 HydrophobicContact CG-CB 4.35Å; Y170-H174 WeakPolarHBondContact CA-O 3.38Å; Y170-H174 WeakPolarHBondContact CD2-O 3.46Å; H171-H174 PolarHBondContact N-O 2.97Å; H171-H174 PolarHBondContact O-N 3.49Å; D172-H174 VanDerWaalsContact C-N 3.31Å; D172-H174 PolarHBondContact O-CE1 3.45Å; D172-H174 PolarHBondContact O-N 3.15Å; D172-H174 PolarHBondContact O-ND1 3.4Å; H174-Y176 HydrophobicContact CB-CD2 4.4Å; H174-Y176 HydrophobicContact CB-CE2 3.58Å
175L97.6Very high95.5Very high8 Ų844.8 Ų44.84%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-98.1134.4176.6-63.3168.9000110.4W149 F154 C156 Q157 L163 Y168 Y170W149-L175 HydrophobicContact CD2-CD1 4.15Å; W149-L175 HydrophobicContact CG-CD1 4.47Å; W149-L175 HydrophobicContact CZ2-CD1 4.16Å; F154-L175 HydrophobicContact CD2-CD1 3.49Å; F154-L175 VanDerWaalsContact CD2-CD1 3.49Å; F154-L175 HydrophobicContact CE2-CD1 3.4Å; F154-L175 HydrophobicContact CE2-CD2 4.11Å; F154-L175 HydrophobicContact CE2-CG 4.42Å; F154-L175 HydrophobicContact CG-CD1 4.21Å; F154-L175 HydrophobicContact CZ-CD1 4.05Å; F154-L175 HydrophobicContact CZ-CD2 4.28Å; C156-L175 CarbonylContact C-O 3.54Å; C156-L175 WeakPolarHBondContact CA-O 3.32Å; Q157-L175 PolarHBondContact N-O 3.03Å; L163-L175 HydrophobicContact CD1-CB 4.06Å; Y168-L175 HydrophobicContact CD2-CD2 3.47Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.47Å; Y168-L175 HydrophobicContact CE2-CD2 3.86Å; Y168-L175 HydrophobicContact CG-CD2 4.03Å; Y170-L175 HydrophobicContact CD2-CD2 3.96Å
176Y98.1Very high96.1Very high30 Ų3039.6 Ų39.612%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-130.3149.3178.3-63.2-85.8000111.6Q157 F169 H171 H174 H180 L184Q157-Y176 HydrophobicContact CB-CD1 4.37Å; Q157-Y176 HydrophobicContact CB-CE1 3.9Å; Q157-Y176 HydrophobicContact CG-CE1 4.47Å; F169-Y176 PolarHBondContact N-O 3.24Å; F169-Y176 PolarHBondContact O-N 3.09Å; H171-Y176 HydrophobicContact CB-CD2 4.08Å; H171-Y176 HydrophobicContact CB-CE2 4.05Å; H174-Y176 HydrophobicContact CB-CD2 4.4Å; H174-Y176 HydrophobicContact CB-CE2 3.58Å; Y176-H180 HydrophobicContact CD1-CB 4.2Å; Y176-L184 HydrophobicContact CD1-CD1 4.09Å; Y176-L184 HydrophobicContact CD2-CD1 4.11Å; Y176-L184 HydrophobicContact CE1-CD1 3.82Å; Y176-L184 HydrophobicContact CE2-CD1 3.83Å; Y176-L184 HydrophobicContact CG-CD1 4.23Å
177C97.6Very high96.6Very high1 Ų138.8 Ų38.81%0.00720%0.2CC..  trans-70.6168.3162.566.70000110.2Q73 C156 L163 R179 H180 H181Q73-C177 HydrophobicContact CB-CB 3.9Å; Q73-C177 HydrophobicContact CG-CB 4.01Å; C156-C177 HydrophobicContact CB-CB 4.36Å; C156-C177 PolarHBondContact SG-N 2.95Å; C156-C177 VanDerWaalsContact SG-N 3.42Å; L163-C177 HydrophobicContact CD2-CB 3.78Å; C177-R179 VanDerWaalsContact C-N 3.32Å; C177-R179 PolarHBondContact O-N 2.79Å; C177-H180 PolarHBondContact SG-N 2.65Å; C177-H180 PolarHBondContact SG-ND1 2.88Å; C177-H181 WeakPolarHBondContact O-CB 3.41Å; C177-H181 PolarHBondContact O-N 2.99Å
178G96.9Very high96.8Very high4 Ų436.9 Ų36.94%0.04119%0.189CC..Hα-helixtrans-57.6-43.5178.500000113.1Q73 R102 A182Q73-G178 CarbonylContact O-C 3.58Å; Q73-G178 VanDerWaalsContact O-CA 3.32Å; Q73-G178 WeakPolarHBondContact O-CA 3.3Å; Q73-G178 PolarHBondContact O-N 3.47Å; R102-G178 PolarHBondContact NH2-O 2.96Å; G178-A182 WeakPolarHBondContact O-CB 3.3Å; G178-A182 PolarHBondContact O-N 2.96Å
179R97.8Very high96.7Very high47 Ų4736.8 Ų36.818%0.17719%0.189CC..Hα-helixtrans-59.4-57.8178.3178.1170.3-176.4137.94112.9Q72 Q73 P75 C177 H181 A182 E183 D193Q72-R179 VanDerWaalsContact O-CB 3.23Å; Q72-R179 WeakPolarHBondContact O-CB 3.16Å; Q72-R179 WeakPolarHBondContact O-CD 3.49Å; Q73-R179 PolarHBondContact O-N 2.87Å; P75-R179 HydrophobicContact CG-CB 3.96Å; P75-R179 HydrophobicContact CG-CG 4.24Å; C177-R179 VanDerWaalsContact C-N 3.32Å; C177-R179 PolarHBondContact O-N 2.79Å; R179-H181 VanDerWaalsContact C-N 3.35Å; R179-H181 PolarHBondContact O-N 3.37Å; R179-A182 WeakPolarHBondContact O-CA 3.44Å; R179-A182 VanDerWaalsContact O-CB 3.29Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 2.91Å; R179-E183 VanDerWaalsContact CG-OE1 3.24Å; R179-E183 WeakPolarHBondContact CG-OE1 3.27Å; R179-E183 IonicContact CZ-OE1 3.46Å; R179-E183 IonicContact NE-OE1 2.78Å; R179-E183 PolarHBondContact NE-OE1 2.72Å; R179-E183 IonicContact NH2-OE1 3.47Å; R179-E183 WeakPolarHBondContact O-CG 3.4Å; R179-E183 PolarHBondContact O-N 3.26Å; R179-D193 IonicContact CZ-OD1 2.88Å; R179-D193 IonicContact CZ-OD2 3.18Å; R179-D193 IonicContact NH1-OD1 2.74Å; R179-D193 PolarHBondContact NH1-OD1 3.29Å; R179-D193 IonicContact NH1-OD2 3.06Å; R179-D193 PolarHBondContact NH1-OD2 3.41Å; R179-D193 IonicContact NH2-OD1 2.77Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.6Å
180H98.3Very high96.4Very high38 Ų3838.9 Ų38.918%0.17620%0.203CC..Hα-helixtrans-68.2-34.9-175.5-69.1119.2000112.2A158 C159 Y176 C177 A182 E183 L184A158-H180 HydrophobicContact CB-CB 3.86Å; A158-H180 VanDerWaalsContact CB-CG 3.46Å; C159-H180 WeakPolarHBondContact CB-CE1 3.45Å; C159-H180 VanDerWaalsContact SG-CE1 3.54Å; Y176-H180 HydrophobicContact CD1-CB 4.2Å; C177-H180 PolarHBondContact SG-N 2.65Å; C177-H180 PolarHBondContact SG-ND1 2.88Å; H180-A182 PolarHBondContact O-N 3.46Å; H180-E183 IonicContact CD2-OE2 3.28Å; H180-E183 PolarHBondContact CD2-OE2 3.14Å; H180-E183 VanDerWaalsContact CD2-OE2 3.28Å; H180-E183 IonicContact NE2-OE2 3.97Å; H180-E183 PolarHBondContact O-N 2.86Å; H180-L184 WeakPolarHBondContact O-CG 3.28Å; H180-L184 PolarHBondContact O-N 3.06Å
181H98.1Very high96.1Very high1 Ų138.9 Ų38.91%0.00522%0.216CC..Hα-helixtrans-63.3-34.9171.8-176.1-81.1000111.9R102 S106 F169 C177 R179R102-H181 PolarHBondContact NE-ND1 3.24Å; R102-H181 VanDerWaalsContact NE-ND1 3.17Å; S106-H181 VanDerWaalsContact CB-NE2 3.31Å; S106-H181 WeakPolarHBondContact CB-NE2 3.43Å; S106-H181 PolarHBondContact OG-NE2 3.49Å; S106-H181 VanDerWaalsContact OG-NE2 3.1Å; F169-H181 HydrophobicContact CB-CB 3.63Å; F169-H181 WeakPolarHBondContact CB-CD2 3.41Å; F169-H181 VanDerWaalsContact CB-CG 3.4Å; F169-H181 HydrophobicContact CD1-CB 4.48Å; F169-H181 AromaticContact CD1-CG 3.98Å; F169-H181 AromaticContact CD1-ND1 3.87Å; F169-H181 HydrophobicContact CD2-CB 4.28Å; F169-H181 HydrophobicContact CG-CB 3.89Å; F169-H181 AromaticContact CG-CG 3.76Å; C177-H181 WeakPolarHBondContact O-CB 3.41Å; C177-H181 PolarHBondContact O-N 2.99Å; R179-H181 VanDerWaalsContact C-N 3.35Å; R179-H181 PolarHBondContact O-N 3.37Å
182A97.9Very high95.8Very high0 Ų037.8 Ų37.80%021%0.213CC..Hα-helixtrans-66.5-44.3175.400000111.4F98 R102 G178 R179 H180 L184 L185 R186 L195F98-A182 HydrophobicContact CE1-CB 4.28Å; F98-A182 HydrophobicContact CZ-CB 4.01Å; R102-A182 VanDerWaalsContact NH1-CB 3.34Å; G178-A182 WeakPolarHBondContact O-CB 3.3Å; G178-A182 PolarHBondContact O-N 2.96Å; R179-A182 WeakPolarHBondContact O-CA 3.44Å; R179-A182 VanDerWaalsContact O-CB 3.29Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 2.91Å; H180-A182 PolarHBondContact O-N 3.46Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.46Å; A182-L185 PolarHBondContact O-N 3.01Å; A182-R186 PolarHBondContact O-N 3.42Å; A182-L195 HydrophobicContact CB-CD1 3.78Å; A182-L195 HydrophobicContact CB-CD2 3.99Å; A182-L195 HydrophobicContact CB-CG 4.46Å
183E97.2Very high95.8Very high65 Ų6535 Ų3530%0.30420%0.198SC..Hα-helixtrans-65-26.3-179.4-71.3169.5-176.100113.4R179 H180 L185 R186 R188R179-E183 VanDerWaalsContact CG-OE1 3.24Å; R179-E183 WeakPolarHBondContact CG-OE1 3.27Å; R179-E183 IonicContact CZ-OE1 3.46Å; R179-E183 IonicContact NE-OE1 2.78Å; R179-E183 PolarHBondContact NE-OE1 2.72Å; R179-E183 IonicContact NH2-OE1 3.47Å; R179-E183 WeakPolarHBondContact O-CG 3.4Å; R179-E183 PolarHBondContact O-N 3.26Å; H180-E183 IonicContact CD2-OE2 3.28Å; H180-E183 PolarHBondContact CD2-OE2 3.14Å; H180-E183 VanDerWaalsContact CD2-OE2 3.28Å; H180-E183 IonicContact NE2-OE2 3.97Å; H180-E183 PolarHBondContact O-N 2.86Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.34Å; E183-R186 WeakPolarHBondContact CA-O 3.24Å; E183-R188 HydrophobicContact CG-CB 4.12Å; E183-R188 WeakPolarHBondContact OE1-CD 3.44Å; E183-R188 IonicContact OE1-CZ 3.85Å; E183-R188 IonicContact OE1-NE 2.79Å; E183-R188 PolarHBondContact OE1-NE 2.74Å; E183-R188 IonicContact OE1-NH2 3.06Å
184L96.4Very high95.9Very high88 Ų8833.4 Ų33.446%0.46118%0.178SC..Hα-helixtrans-64-31.2170.3-72.4174.4000113Y176 H180 A182Y176-L184 HydrophobicContact CD1-CD1 4.09Å; Y176-L184 HydrophobicContact CD2-CD1 4.11Å; Y176-L184 HydrophobicContact CE1-CD1 3.82Å; Y176-L184 HydrophobicContact CE2-CD1 3.83Å; Y176-L184 HydrophobicContact CG-CD1 4.23Å; H180-L184 WeakPolarHBondContact O-CG 3.28Å; H180-L184 PolarHBondContact O-N 3.06Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.46Å
185L95.9Very high95.9Very high61 Ų6129.8 Ų29.832%0.31916%0.162SC..Hα-helixtrans-104.6-28.6-170.2-61.5179.2000112.8F98 R102 A182 E183F98-L185 HydrophobicContact CE2-CB 3.7Å; F98-L185 HydrophobicContact CE2-CD1 3.94Å; F98-L185 HydrophobicContact CE2-CG 4.49Å; F98-L185 HydrophobicContact CZ-CB 4.36Å; R102-L185 HydrophobicContact CG-CD1 4.03Å; A182-L185 PolarHBondContact O-N 3.01Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.34Å
186R95.9Very high95.8Very high16 Ų1629.4 Ų29.46%0.0616%0.16CC..SBendtrans-142.7137-177.1-76.1-62.5-138.6148.5-6.2110.1F98 A182 E183 L195 I196 F197F98-R186 HydrophobicContact CD2-CG 4.1Å; F98-R186 HydrophobicContact CE2-CB 4.34Å; F98-R186 HydrophobicContact CE2-CG 3.7Å; F98-R186 HydrophobicContact CZ-CB 4.4Å; F98-R186 HydrophobicContact CZ-CG 4.18Å; A182-R186 PolarHBondContact O-N 3.42Å; E183-R186 WeakPolarHBondContact CA-O 3.24Å; R186-L195 HydrophobicContact CB-CB 4.36Å; R186-L195 HydrophobicContact CB-CD2 4.11Å; R186-I196 PolarHBondContact NH1-O 2.77Å; R186-F197 HydrophobicContact CG-CE1 4.49Å; R186-F197 PolarHBondContact NH1-O 2.89Å; R186-F197 VanDerWaalsContact NH2-CD1 3.31Å; R186-F197 PolarHBondContact NH2-O 2.83Å
187P95.6Very high95.6Very high29 Ų2928.2 Ų28.219%0.18816%0.155CC..PPolyproline II helixtrans-67.7144.5176.329.1-34.6000111.2L195 I196 R208P187-L195 WeakPolarHBondContact O-CA 3.49Å; P187-I196 HydrophobicContact CB-CD1 4.49Å; P187-I196 HydrophobicContact CG-CB 4.2Å; P187-I196 HydrophobicContact CG-CD1 4.42Å; P187-I196 PolarHBondContact O-N 2.88Å; P187-R208 HydrophobicContact CB-CB 3.9Å; P187-R208 HydrophobicContact CB-CG 4.35Å; P187-R208 HydrophobicContact CG-CB 4.33Å
188R95.9Very high95.3Very high26 Ų2629.3 Ų29.310%0.09816%0.163CC..BIsolated β-bridgetrans-103.3131.4173.9-172179.2-58.4-81.1-7.6110.6D78 E183 P190 D193 L195D78-R188 VanDerWaalsContact CG-NH2 3.34Å; D78-R188 IonicContact OD1-CZ 3.78Å; D78-R188 IonicContact OD1-NH1 3.74Å; D78-R188 PolarHBondContact OD1-NH1 3.22Å; D78-R188 IonicContact OD1-NH2 3.75Å; D78-R188 PolarHBondContact OD1-NH2 2.78Å; D78-R188 IonicContact OD2-CZ 3.21Å; D78-R188 IonicContact OD2-NH1 3.82Å; D78-R188 IonicContact OD2-NH2 3.86Å; D78-R188 PolarHBondContact OD2-NH2 3.02Å; E183-R188 HydrophobicContact CG-CB 4.12Å; E183-R188 WeakPolarHBondContact OE1-CD 3.44Å; E183-R188 IonicContact OE1-CZ 3.85Å; E183-R188 IonicContact OE1-NE 2.79Å; E183-R188 PolarHBondContact OE1-NE 2.74Å; E183-R188 IonicContact OE1-NH2 3.06Å; R188-P190 WeakPolarHBondContact O-CD 3.09Å; R188-D193 WeakPolarHBondContact CD-OD1 3.38Å; R188-D193 PolarHBondContact NH1-O 3.43Å; R188-L195 HydrophobicContact CB-CD2 4.26Å
189C94.3Very high94.8Very high0 Ų035.5 Ų35.50%019%0.19CC..PPolyproline II helixtrans-71.2120.8175.9179.40000110.7A191 C192 D193 Q194 I196 R208 H210C189-A191 VanDerWaalsContact C-N 3.26Å; C189-A191 PolarHBondContact O-N 3.27Å; C189-C192 PolarHBondContact O-N 3.04Å; C189-D193 WeakPolarHBondContact O-CA 3.31Å; C189-D193 PolarHBondContact O-N 3.2Å; C189-Q194 PolarHBondContact N-O 3.31Å; C189-I196 HydrophobicContact CB-CD1 4.02Å; C189-I196 HydrophobicContact CB-CG1 3.92Å; C189-R208 WeakPolarHBondContact CA-O 3.4Å; C189-H210 VanDerWaalsContact CB-ND1 3.31Å; C189-H210 WeakPolarHBondContact CB-ND1 3.42Å
190P91.8Very high94.3Very high51 Ų5141 Ų4133%0.33121%0.212SC..THydrogen-bonded Turntrans-64.2-26.3-178.6-21.831.8000114.5R188 R207 R208 W209R188-P190 WeakPolarHBondContact O-CD 3.09Å; P190-R207 HydrophobicContact CG-CB 4.23Å; P190-R208 VanDerWaalsContact CD-O 3.24Å; P190-R208 WeakPolarHBondContact CD-O 3.4Å; P190-W209 HydrophobicContact CB-CE3 4.36Å; P190-W209 HydrophobicContact CB-CH2 3.61Å; P190-W209 HydrophobicContact CB-CZ2 3.85Å; P190-W209 HydrophobicContact CB-CZ3 3.89Å; P190-W209 HydrophobicContact CG-CD2 4.15Å; P190-W209 HydrophobicContact CG-CE3 4.38Å; P190-W209 HydrophobicContact CG-CH2 4.01Å; P190-W209 HydrophobicContact CG-CZ2 3.73Å; P190-W209 HydrophobicContact CG-CZ3 4.32Å
191A90.5Very high94Very high62 Ų6240.1 Ų40.151%0.51221%0.209SC..THydrogen-bonded Turntrans-73.9-39.7-17900000114.1C189 W209 H213C189-A191 VanDerWaalsContact C-N 3.26Å; C189-A191 PolarHBondContact O-N 3.27Å; A191-W209 HydrophobicContact CB-CE3 3.82Å; A191-W209 HydrophobicContact CB-CZ3 3.57Å; A191-H213 HydrophobicContact CB-CB 3.76Å
192C92.2Very high93.6Very high27 Ų2740.9 Ų40.918%0.18221%0.214CC..THydrogen-bonded Turntrans-119.10.7-170.370.60000113.8C189 Q194 H210 H213C189-C192 PolarHBondContact O-N 3.04Å; C192-Q194 PolarHBondContact O-N 2.98Å; C192-H210 PolarHBondContact SG-ND1 3.06Å; C192-H213 WeakPolarHBondContact CB-CE1 3.48Å; C192-H213 WeakPolarHBondContact CB-ND1 3.35Å; C192-H213 PolarHBondContact SG-CE1 2.97Å; C192-H213 PolarHBondContact SG-ND1 3.36Å
193D94.3Very high93.1Very high52 Ų5243.6 Ų43.628%0.27823%0.226SC..  trans5525.1179.7-148.746.2000114.8Q77 R179 R188 C189Q77-D193 PolarHBondContact NE2-O 3.14Å; R179-D193 IonicContact CZ-OD1 2.88Å; R179-D193 IonicContact CZ-OD2 3.18Å; R179-D193 IonicContact NH1-OD1 2.74Å; R179-D193 PolarHBondContact NH1-OD1 3.29Å; R179-D193 IonicContact NH1-OD2 3.06Å; R179-D193 PolarHBondContact NH1-OD2 3.41Å; R179-D193 IonicContact NH2-OD1 2.77Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.6Å; R188-D193 WeakPolarHBondContact CD-OD1 3.38Å; R188-D193 PolarHBondContact NH1-O 3.43Å; C189-D193 WeakPolarHBondContact O-CA 3.31Å; C189-D193 PolarHBondContact O-N 3.2Å
194Q95.3Very high92.6Very high15 Ų1540.7 Ų40.77%0.0721%0.214CC..  trans-107149.5176-78.3169.559.400111.6Q77 L85 C189 C192Q77-Q194 HydrophobicContact CB-CG 4.13Å; Q77-Q194 HydrophobicContact CG-CG 3.79Å; L85-Q194 VanDerWaalsContact CG-NE2 3.25Å; C189-Q194 PolarHBondContact N-O 3.31Å; C192-Q194 PolarHBondContact O-N 2.98Å
195L96.4Very high92.1Very high5 Ų540.3 Ų40.33%0.02621%0.209CC..BIsolated β-bridgetrans-68.9137.1173.5-60.8169.4000110D78 F98 A182 R186 P187 R188 F197D78-L195 HydrophobicContact CB-CD1 4.29Å; F98-L195 HydrophobicContact CD1-CD1 4.37Å; F98-L195 HydrophobicContact CE1-CD1 3.49Å; F98-L195 VanDerWaalsContact CE1-CD1 3.49Å; F98-L195 HydrophobicContact CZ-CD1 3.88Å; A182-L195 HydrophobicContact CB-CD1 3.78Å; A182-L195 HydrophobicContact CB-CD2 3.99Å; A182-L195 HydrophobicContact CB-CG 4.46Å; R186-L195 HydrophobicContact CB-CB 4.36Å; R186-L195 HydrophobicContact CB-CD2 4.11Å; P187-L195 WeakPolarHBondContact O-CA 3.49Å; R188-L195 HydrophobicContact CB-CD2 4.26Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.16Å; L195-F197 HydrophobicContact CD1-CE2 4.44Å; L195-F197 HydrophobicContact CD1-CZ 4.27Å; L195-F197 WeakPolarHBondContact O-CD2 3.48Å; L195-F197 PolarHBondContact O-N 2.97Å
196I95.5Very high91.6Very high0 Ų040.8 Ų40.80%023%0.229CC..  trans-88.1109.6-179.1-55.7165.4000108.2R186 P187 C189 C201 R208 H210R186-I196 PolarHBondContact NH1-O 2.77Å; P187-I196 HydrophobicContact CB-CD1 4.49Å; P187-I196 HydrophobicContact CG-CB 4.2Å; P187-I196 HydrophobicContact CG-CD1 4.42Å; P187-I196 PolarHBondContact O-N 2.88Å; C189-I196 HydrophobicContact CB-CD1 4.02Å; C189-I196 HydrophobicContact CB-CG1 3.92Å; I196-C201 HydrophobicContact CG2-CB 4.07Å; I196-R208 VanDerWaalsContact CD1-C 3.41Å; I196-R208 HydrophobicContact CD1-CB 3.83Å; I196-R208 VanDerWaalsContact CD1-O 3.28Å; I196-R208 WeakPolarHBondContact CD1-O 3.26Å; I196-H210 WeakPolarHBondContact CA-NE2 3.17Å
197F94.4Very high91.4Very high4 Ų447.4 Ų47.42%0.01825%0.254CS..  trans-88.1-38176.9-73.2-83.3000112.6E91 Q94 L95 F98 R186 L195E91-F197 HydrophobicContact CB-CB 3.93Å; E91-F197 HydrophobicContact CG-CB 4.09Å; Q94-F197 HydrophobicContact CB-CB 4.47Å; Q94-F197 HydrophobicContact CB-CD1 3.66Å; Q94-F197 HydrophobicContact CB-CE1 4.4Å; Q94-F197 HydrophobicContact CB-CG 4.4Å; Q94-F197 PolarHBondContact OE1-O 2.74Å; L95-F197 HydrophobicContact CB-CD2 4.42Å; L95-F197 HydrophobicContact CB-CE1 4.25Å; L95-F197 HydrophobicContact CB-CE2 3.99Å; L95-F197 HydrophobicContact CB-CZ 3.91Å; L95-F197 HydrophobicContact CD1-CE2 3.68Å; L95-F197 HydrophobicContact CD1-CZ 3.53Å; L95-F197 HydrophobicContact CG-CE2 4.36Å; L95-F197 HydrophobicContact CG-CZ 4.33Å; F98-F197 HydrophobicContact CB-CE1 3.87Å; F98-F197 HydrophobicContact CB-CZ 4.31Å; F98-F197 HydrophobicContact CD1-CE1 4.28Å; F98-F197 AromaticContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CE1-CZ 4.46Å; F98-F197 HydrophobicContact CG-CE1 4.05Å; F98-F197 HydrophobicContact CG-CZ 4.2Å; R186-F197 HydrophobicContact CG-CE1 4.49Å; R186-F197 PolarHBondContact NH1-O 2.89Å; R186-F197 VanDerWaalsContact NH2-CD1 3.31Å; R186-F197 PolarHBondContact NH2-O 2.83Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.16Å; L195-F197 HydrophobicContact CD1-CE2 4.44Å; L195-F197 HydrophobicContact CD1-CZ 4.27Å; L195-F197 WeakPolarHBondContact O-CD2 3.48Å; L195-F197 PolarHBondContact O-N 2.97Å
198S90.7Very high91.2Very high24 Ų2448 Ų4817%0.16825%0.253CS..SBendtrans-46.7144.1174.6-174.80000114.2E91 R200E91-S198 WeakPolarHBondContact OE1-CA 3.45Å; E91-S198 WeakPolarHBondContact OE1-CB 3.13Å; E91-S198 PolarHBondContact OE1-N 2.78Å; S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 WeakPolarHBondContact CB-O 3.39Å; S198-R200 PolarHBondContact OG-N 3.27Å; S198-R200 PolarHBondContact OG-O 2.85Å
199Q86.2Confident91Very high134 Ų13447.9 Ų47.963%0.62625%0.252SS*.SBendtrans-71.6-27.4169-64.2-179.82800112
200R88.4Confident90.9Very high164 Ų16449.2 Ų49.262%0.61926%0.258SS*.  trans-95.2126.3177-55.2-169.6-63.7-89.1-2.8110.1S198 E211S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 WeakPolarHBondContact CB-O 3.39Å; S198-R200 PolarHBondContact OG-N 3.27Å; S198-R200 PolarHBondContact OG-O 2.85Å; R200-E211 VanDerWaalsContact CB-CD 3.42Å; R200-E211 HydrophobicContact CB-CG 4.13Å; R200-E211 WeakPolarHBondContact CB-OE1 3.44Å; R200-E211 WeakPolarHBondContact CD-OE1 3.49Å; R200-E211 IonicContact CZ-OE2 2.84Å; R200-E211 IonicContact NE-OE1 3.08Å; R200-E211 PolarHBondContact NE-OE1 3.49Å; R200-E211 IonicContact NE-OE2 2.82Å; R200-E211 PolarHBondContact NE-OE2 2.95Å; R200-E211 IonicContact NH2-OE2 3.06Å
201C90.3Very high90.6Very high19 Ų1951 Ų5113%0.12826%0.262CS..  trans-152.9161.1177.666.80000109.6I196 R208 W209I196-C201 HydrophobicContact CG2-CB 4.07Å; C201-R208 VanDerWaalsContact SG-CZ 3.53Å; C201-R208 PolarHBondContact SG-NE 3.37Å; C201-R208 PolarHBondContact SG-NH2 2.9Å; C201-W209 WeakPolarHBondContact CA-O 3.35Å; C201-W209 VanDerWaalsContact CB-O 3.27Å; C201-W209 WeakPolarHBondContact CB-O 3.48Å
202T90.1Very high90.5Very high17 Ų1755 Ų5510%0.10428%0.275CS..EExtended strand (participates in β ladder)trans-95.2127.9172-56.20000109.1R208 W209 F214T202-R208 CarbonylContact O-C 3.49Å; T202-R208 WeakPolarHBondContact O-CA 3.45Å; T202-W209 PolarHBondContact N-O 2.95Å; T202-W209 PolarHBondContact O-N 3.13Å; T202-F214 HydrophobicContact CG2-CB 3.91Å; T202-F214 HydrophobicContact CG2-CD1 3.57Å; T202-F214 HydrophobicContact CG2-CD2 4.46Å; T202-F214 HydrophobicContact CG2-CE1 4.21Å; T202-F214 HydrophobicContact CG2-CG 3.72Å
203E88.4Confident90.5Very high56 Ų5656.4 Ų56.426%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-108.8128.3174.2-171.1171.1164.900109.6R207 R208E203-R207 WeakPolarHBondContact CA-O 3.42Å; E203-R208 HydrophobicContact CB-CG 4.31Å; E203-R208 HydrophobicContact CG-CG 4.1Å
204A86.6Confident90.3Very high4 Ų454.2 Ų54.23%0.03327%0.267CS..EExtended strand (participates in β ladder)trans-152.9130.6-175.400000108.3G206 R207 F214 Y228A204-G206 VanDerWaalsContact C-N 3.28Å; A204-G206 PolarHBondContact O-N 3.18Å; A204-R207 PolarHBondContact N-O 3.17Å; A204-R207 WeakPolarHBondContact O-CA 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.36Å; A204-R207 PolarHBondContact O-N 3.47Å; A204-F214 HydrophobicContact CB-CD2 4.36Å; A204-F214 HydrophobicContact CB-CE2 3.62Å; A204-F214 HydrophobicContact CB-CZ 3.72Å; A204-Y228 VanDerWaalsContact CB-OH 3.3Å; A204-Y228 WeakPolarHBondContact CB-OH 3.37Å
205E86Confident90.2Very high80 Ų8055.3 Ų55.337%0.37428%0.276SS..THydrogen-bonded Turntrans53.936.9-178.6-49.9-51128.600115.3R207 Y228 L230 G341E205-R207 PolarHBondContact O-N 3.24Å; E205-R207 VanDerWaalsContact O-N 3.08Å; E205-Y228 PolarHBondContact OE1-OH 3.4Å; E205-L230 VanDerWaalsContact CD-CD1 3.42Å; E205-L230 HydrophobicContact CG-CD1 3.16Å; E205-L230 HydrophobicContact CG-CG 4.49Å; E205-G341 VanDerWaalsContact OE1-CA 3.28Å; E205-G341 WeakPolarHBondContact OE1-CA 3.25Å
206G86Confident89.9Confident71 Ų7155.1 Ų55.173%0.73228%0.275SS*.THydrogen-bonded Turntrans64.413-175.100000114A204A204-G206 VanDerWaalsContact C-N 3.28Å; A204-G206 PolarHBondContact O-N 3.18Å
207R89.8Confident89.6Confident156 Ų15660.1 Ų60.159%0.58930%0.298SS*.EExtended strand (participates in β ladder)trans-111.5151.1172.2-62.6179-176.7-109.60.9109.7P190 E203 A204 E205P190-R207 HydrophobicContact CG-CB 4.23Å; E203-R207 WeakPolarHBondContact CA-O 3.42Å; A204-R207 PolarHBondContact N-O 3.17Å; A204-R207 WeakPolarHBondContact O-CA 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.36Å; A204-R207 PolarHBondContact O-N 3.47Å; E205-R207 PolarHBondContact O-N 3.24Å; E205-R207 VanDerWaalsContact O-N 3.08Å
208R92Very high89.5Confident42 Ų4263.3 Ų63.316%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-113.7139.2178.9-63.717768.5-173.91.7109.8P187 C189 P190 I196 C201 T202 E203P187-R208 HydrophobicContact CB-CB 3.9Å; P187-R208 HydrophobicContact CB-CG 4.35Å; P187-R208 HydrophobicContact CG-CB 4.33Å; C189-R208 WeakPolarHBondContact CA-O 3.4Å; P190-R208 VanDerWaalsContact CD-O 3.24Å; P190-R208 WeakPolarHBondContact CD-O 3.4Å; I196-R208 VanDerWaalsContact CD1-C 3.41Å; I196-R208 HydrophobicContact CD1-CB 3.83Å; I196-R208 VanDerWaalsContact CD1-O 3.28Å; I196-R208 WeakPolarHBondContact CD1-O 3.26Å; C201-R208 VanDerWaalsContact SG-CZ 3.53Å; C201-R208 PolarHBondContact SG-NE 3.37Å; C201-R208 PolarHBondContact SG-NH2 2.9Å; T202-R208 CarbonylContact O-C 3.49Å; T202-R208 WeakPolarHBondContact O-CA 3.45Å; E203-R208 HydrophobicContact CB-CG 4.31Å; E203-R208 HydrophobicContact CG-CG 4.1Å
209W92.7Very high89.5Confident23 Ų2365.6 Ų65.69%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-125.9149.2-176.6-56.777.4000109.1P190 A191 C201 T202 F214 P235P190-W209 HydrophobicContact CB-CE3 4.36Å; P190-W209 HydrophobicContact CB-CH2 3.61Å; P190-W209 HydrophobicContact CB-CZ2 3.85Å; P190-W209 HydrophobicContact CB-CZ3 3.89Å; P190-W209 HydrophobicContact CG-CD2 4.15Å; P190-W209 HydrophobicContact CG-CE3 4.38Å; P190-W209 HydrophobicContact CG-CH2 4.01Å; P190-W209 HydrophobicContact CG-CZ2 3.73Å; P190-W209 HydrophobicContact CG-CZ3 4.32Å; A191-W209 HydrophobicContact CB-CE3 3.82Å; A191-W209 HydrophobicContact CB-CZ3 3.57Å; C201-W209 WeakPolarHBondContact CA-O 3.35Å; C201-W209 VanDerWaalsContact CB-O 3.27Å; C201-W209 WeakPolarHBondContact CB-O 3.48Å; T202-W209 PolarHBondContact N-O 2.95Å; T202-W209 PolarHBondContact O-N 3.13Å; W209-F214 HydrophobicContact CB-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.84Å; W209-F214 AromaticContact CD2-CD2 3.92Å; W209-F214 HydrophobicContact CD2-CD2 3.92Å; W209-F214 AromaticContact CE2-CD2 3.97Å; W209-F214 HydrophobicContact CG-CB 4.27Å; W209-F214 AromaticContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CG 4.5Å; W209-F214 AromaticContact NE1-CD2 3.91Å; W209-P235 HydrophobicContact CH2-CG 4.28Å
210H91.2Very high89.8Confident27 Ų2762.7 Ų62.713%0.12533%0.33CS..  trans-58.7147.6162.2-64.6113.2000109.5C189 C192 I196 N212 H213 F214C189-H210 VanDerWaalsContact CB-ND1 3.31Å; C189-H210 WeakPolarHBondContact CB-ND1 3.42Å; C192-H210 PolarHBondContact SG-ND1 3.06Å; I196-H210 WeakPolarHBondContact CA-NE2 3.17Å; H210-N212 PolarHBondContact O-N 3.2Å; H210-N212 VanDerWaalsContact O-N 3.13Å; H210-H213 HydrophobicContact CB-CB 4.1Å; H210-H213 AromaticContact CG-ND1 3.9Å; H210-H213 AromaticContact ND1-CE1 3.83Å; H210-H213 AromaticContact ND1-ND1 3.4Å; H210-H213 PolarHBondContact ND1-ND1 3.31Å; H210-H213 PolarHBondContact O-N 3.4Å; H210-F214 PolarHBondContact O-N 3.07Å
211E86.5Confident89.8Confident88 Ų8856 Ų5641%0.41131%0.311SS..G310 helixtrans-52-40.5-176.6-62.1-171.6119.600111.9R200R200-E211 VanDerWaalsContact CB-CD 3.42Å; R200-E211 HydrophobicContact CB-CG 4.13Å; R200-E211 WeakPolarHBondContact CB-OE1 3.44Å; R200-E211 WeakPolarHBondContact CD-OE1 3.49Å; R200-E211 IonicContact CZ-OE2 2.84Å; R200-E211 IonicContact NE-OE1 3.08Å; R200-E211 PolarHBondContact NE-OE1 3.49Å; R200-E211 IonicContact NE-OE2 2.82Å; R200-E211 PolarHBondContact NE-OE2 2.95Å; R200-E211 IonicContact NH2-OE2 3.06Å
212N88.1Confident89.8Confident147 Ų14760.7 Ų60.779%0.78634%0.341SS*.G310 helixtrans-84.9-6.7-177.5-60.8-24000114.4H210H210-N212 PolarHBondContact O-N 3.2Å; H210-N212 VanDerWaalsContact O-N 3.13Å
213H91Very high89.7Confident56 Ų5660.2 Ų60.226%0.25934%0.338SS..G310 helixtrans-103.9-6.7-175.6-70172.4000113.6A191 C192 H210 C215A191-H213 HydrophobicContact CB-CB 3.76Å; C192-H213 WeakPolarHBondContact CB-CE1 3.48Å; C192-H213 WeakPolarHBondContact CB-ND1 3.35Å; C192-H213 PolarHBondContact SG-CE1 2.97Å; C192-H213 PolarHBondContact SG-ND1 3.36Å; H210-H213 HydrophobicContact CB-CB 4.1Å; H210-H213 AromaticContact CG-ND1 3.9Å; H210-H213 AromaticContact ND1-CE1 3.83Å; H210-H213 AromaticContact ND1-ND1 3.4Å; H210-H213 PolarHBondContact ND1-ND1 3.31Å; H210-H213 PolarHBondContact O-N 3.4Å; H213-C215 VanDerWaalsContact C-N 3.33Å; H213-C215 PolarHBondContact O-N 3.45Å
214F91.5Very high89Confident6 Ų659.6 Ų59.63%0.02635%0.347CS..  trans-86.879.1170.9-167.4-112.1000110T202 A204 W209 H210 L223 Y228 P235T202-F214 HydrophobicContact CG2-CB 3.91Å; T202-F214 HydrophobicContact CG2-CD1 3.57Å; T202-F214 HydrophobicContact CG2-CD2 4.46Å; T202-F214 HydrophobicContact CG2-CE1 4.21Å; T202-F214 HydrophobicContact CG2-CG 3.72Å; A204-F214 HydrophobicContact CB-CD2 4.36Å; A204-F214 HydrophobicContact CB-CE2 3.62Å; A204-F214 HydrophobicContact CB-CZ 3.72Å; W209-F214 HydrophobicContact CB-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.84Å; W209-F214 AromaticContact CD2-CD2 3.92Å; W209-F214 HydrophobicContact CD2-CD2 3.92Å; W209-F214 AromaticContact CE2-CD2 3.97Å; W209-F214 HydrophobicContact CG-CB 4.27Å; W209-F214 AromaticContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CG 4.5Å; W209-F214 AromaticContact NE1-CD2 3.91Å; H210-F214 PolarHBondContact O-N 3.07Å; F214-L223 HydrophobicContact CD1-CB 3.54Å; F214-L223 HydrophobicContact CE1-CB 3.38Å; F214-L223 HydrophobicContact CE1-CD1 4.44Å; F214-L223 HydrophobicContact CG-CB 4.45Å; F214-L223 HydrophobicContact CZ-CB 4.18Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 PolarHBondContact O-N 2.91Å; F214-Y228 AromaticContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CE1 4.05Å; F214-Y228 HydrophobicContact CE1-CG 4.44Å; F214-Y228 AromaticContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD2 4.04Å; F214-Y228 AromaticContact CZ-CE1 3.63Å; F214-Y228 HydrophobicContact CZ-CE1 3.63Å; F214-Y228 AromaticContact CZ-CE2 3.97Å; F214-Y228 HydrophobicContact CZ-CE2 3.97Å; F214-Y228 AromaticContact CZ-CG 3.94Å; F214-Y228 HydrophobicContact CZ-CG 3.94Å; F214-Y228 AromaticContact CZ-CZ 3.77Å; F214-P235 HydrophobicContact CD2-CB 4.49Å; F214-P235 HydrophobicContact CD2-CG 4.34Å; F214-P235 HydrophobicContact CE2-CB 3.82Å; F214-P235 HydrophobicContact CE2-CG 4.1Å; F214-P235 HydrophobicContact CZ-CB 4.23Å
215C91.7Very high88.3Confident38 Ų3864.7 Ų64.726%0.25739%0.389SS..BIsolated β-bridgetrans-128.6156.9-176.259.90000112H213 Q217 A220 G221H213-C215 VanDerWaalsContact C-N 3.33Å; H213-C215 PolarHBondContact O-N 3.45Å; C215-Q217 PolarHBondContact O-N 3.3Å; C215-A220 WeakPolarHBondContact CB-O 3.37Å; C215-G221 CarbonylContact C-O 3.58Å; C215-G221 WeakPolarHBondContact CA-O 3.45Å; C215-G221 WeakPolarHBondContact CB-O 3.43Å
216C91.1Very high87.9Confident1 Ų162.6 Ų62.61%0.00739%0.389CS..  trans-62130.2176.2178.60000110.3D218 C219 A220 G221 L223 P235 C237C216-D218 PolarHBondContact O-N 3.02Å; C216-D218 PolarHBondContact SG-N 3.13Å; C216-C219 WeakPolarHBondContact CB-SG 3.5Å; C216-C219 VanDerWaalsContact SG-SG 3.64Å; C216-A220 WeakPolarHBondContact O-CA 3.48Å; C216-A220 PolarHBondContact O-N 2.99Å; C216-G221 PolarHBondContact N-O 3.18Å; C216-L223 HydrophobicContact CB-CD1 4.31Å; C216-L223 HydrophobicContact CB-CD2 4.19Å; C216-L223 HydrophobicContact CB-CG 4.33Å; C216-P235 CarbonylContact C-O 3.59Å; C216-P235 WeakPolarHBondContact CA-O 3.44Å; C216-C237 HydrophobicContact CB-CB 4.11Å; C216-C237 PolarHBondContact SG-N 3.35Å
217Q89.9Confident87.7Confident106 Ų10662.8 Ų62.850%0.49538%0.377SS..THydrogen-bonded Turntrans-58.3-29.6177.9-173.3179.544.200113.2C215 S234 P235C215-Q217 PolarHBondContact O-N 3.3Å; Q217-S234 PolarHBondContact NE2-OG 3.03Å; Q217-P235 PolarHBondContact N-O 3.1Å
218D90.4Very high87.6Confident71 Ų7155.8 Ų55.838%0.3835%0.351SS..THydrogen-bonded Turntrans-86.3-52.9-176.9-69.5-64.9000113.8C216 C236 C240 R244C216-D218 PolarHBondContact O-N 3.02Å; C216-D218 PolarHBondContact SG-N 3.13Å; D218-C236 PolarHBondContact OD2-SG 3.26Å; D218-C240 HydrophobicContact CB-CB 3.69Å; D218-C240 VanDerWaalsContact CB-SG 3.56Å; D218-C240 WeakPolarHBondContact OD2-CB 3.46Å; D218-R244 VanDerWaalsContact CG-CZ 3.42Å; D218-R244 IonicContact OD1-CZ 3.53Å; D218-R244 IonicContact OD1-NE 2.86Å; D218-R244 PolarHBondContact OD1-NE 3.26Å; D218-R244 IonicContact OD1-NH2 3.72Å; D218-R244 PolarHBondContact OD1-NH2 2.83Å; D218-R244 IonicContact OD2-CZ 3.46Å; D218-R244 IonicContact OD2-NE 3.58Å; D218-R244 PolarHBondContact OD2-NE 3.44Å; D218-R244 IonicContact OD2-NH1 2.61Å; D218-R244 IonicContact OD2-NH2 4Å; D218-R244 PolarHBondContact OD2-NH2 3.48Å; D218-R244 VanDerWaalsContact OD2-NH2 3.08Å
219C92.5Very high87.3Confident72 Ų7254 Ų5449%0.48635%0.345SS..THydrogen-bonded Turntrans-103-2.1-171.867.50000113.4C216 G221C216-C219 WeakPolarHBondContact CB-SG 3.5Å; C216-C219 VanDerWaalsContact SG-SG 3.64Å; C219-G221 PolarHBondContact O-N 3.47Å; C219-G221 PolarHBondContact SG-N 3.15Å
220A91.3Very high86.9Confident73 Ų7355.6 Ų55.660%0.60336%0.355SS*.  trans5512.6-171.900000114.6C215 C216C215-A220 WeakPolarHBondContact CB-O 3.37Å; C216-A220 WeakPolarHBondContact O-CA 3.48Å; C216-A220 PolarHBondContact O-N 2.99Å
221G89.4Confident86.3Confident22 Ų2255.3 Ų55.323%0.22736%0.356CS..  trans-70.5142.4178.200000112C215 C216 C219C215-G221 CarbonylContact C-O 3.58Å; C215-G221 WeakPolarHBondContact CA-O 3.45Å; C215-G221 WeakPolarHBondContact CB-O 3.43Å; C216-G221 PolarHBondContact N-O 3.18Å; C219-G221 PolarHBondContact O-N 3.47Å; C219-G221 PolarHBondContact SG-N 3.15Å
222P89.3Confident85.8Confident118 Ų11855.4 Ų55.477%0.76638%0.38SS*.BIsolated β-bridgetrans-65.5138.6-17927.8-34.8000111.5
223L88.3Confident85.4Confident8 Ų850.9 Ų50.94%0.04237%0.368CS..  trans-107.8-1.3-177.2-66.9174.3000113.6F214 C216 A225 G226 P235 C237F214-L223 HydrophobicContact CD1-CB 3.54Å; F214-L223 HydrophobicContact CE1-CB 3.38Å; F214-L223 HydrophobicContact CE1-CD1 4.44Å; F214-L223 HydrophobicContact CG-CB 4.45Å; F214-L223 HydrophobicContact CZ-CB 4.18Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 PolarHBondContact O-N 2.91Å; C216-L223 HydrophobicContact CB-CD1 4.31Å; C216-L223 HydrophobicContact CB-CD2 4.19Å; C216-L223 HydrophobicContact CB-CG 4.33Å; L223-A225 PolarHBondContact O-N 3.15Å; L223-G226 PolarHBondContact O-N 3.48Å; L223-P235 HydrophobicContact CD1-CB 3.59Å; L223-P235 HydrophobicContact CD1-CG 4.3Å; L223-C237 HydrophobicContact CD2-CB 3.6Å
224G73.9Confident85.2Confident43 Ų4350.1 Ų50.144%0.44337%0.369SS..THydrogen-bonded Turntrans-62.1-7.5-166.700000117.6
225A72.2Confident85Confident111 Ų11150.1 Ų50.192%0.91737%0.37SS*.THydrogen-bonded Turntrans-130.2-3.9-178.900000114.5L223L223-A225 PolarHBondContact O-N 3.15Å
226G76.5Confident84.9Confident36 Ų3648.3 Ų48.337%0.37136%0.358SS..SBendtrans-121.1166.2-17200000113.3L223L223-G226 PolarHBondContact O-N 3.48Å
227P83.1Confident85Confident74 Ų7449.2 Ų49.248%0.48136%0.364SS..  trans-59.8145.716925.5-31.8000109.9P238 F340P227-P238 HydrophobicContact CB-CG 4.26Å; P227-P238 HydrophobicContact CG-CG 3.87Å; P227-P238 WeakPolarHBondContact O-CD 3.47Å; P227-P238 WeakPolarHBondContact O-CG 3.18Å; P227-F340 HydrophobicContact CB-CD1 3.58Å; P227-F340 HydrophobicContact CB-CE1 3.99Å; P227-F340 HydrophobicContact CB-CG 4.25Å
228Y87.4Confident84.9Confident9 Ų946.6 Ų46.64%0.03536%0.356CS..  trans-141.9156.7175.265.4-89.3000109.8A204 E205 F214 L230 P235 C236 G341A204-Y228 VanDerWaalsContact CB-OH 3.3Å; A204-Y228 WeakPolarHBondContact CB-OH 3.37Å; E205-Y228 PolarHBondContact OE1-OH 3.4Å; F214-Y228 AromaticContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CE1 4.05Å; F214-Y228 HydrophobicContact CE1-CG 4.44Å; F214-Y228 AromaticContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD2 4.04Å; F214-Y228 AromaticContact CZ-CE1 3.63Å; F214-Y228 HydrophobicContact CZ-CE1 3.63Å; F214-Y228 AromaticContact CZ-CE2 3.97Å; F214-Y228 HydrophobicContact CZ-CE2 3.97Å; F214-Y228 AromaticContact CZ-CG 3.94Å; F214-Y228 HydrophobicContact CZ-CG 3.94Å; F214-Y228 AromaticContact CZ-CZ 3.77Å; Y228-L230 HydrophobicContact CD2-CD1 4.43Å; Y228-L230 HydrophobicContact CD2-CD2 4.37Å; Y228-L230 HydrophobicContact CD2-CG 4.01Å; Y228-L230 HydrophobicContact CE2-CD1 3.76Å; Y228-L230 HydrophobicContact CE2-CD2 4.18Å; Y228-L230 HydrophobicContact CE2-CG 3.81Å; Y228-P235 HydrophobicContact CD2-CB 4.4Å; Y228-C236 CarbonylContact C-O 3.55Å; Y228-C236 WeakPolarHBondContact CA-O 3.46Å; Y228-C236 WeakPolarHBondContact CB-O 3.21Å; Y228-G341 WeakPolarHBondContact CE1-O 3.37Å; Y228-G341 VanDerWaalsContact OH-CA 3.28Å; Y228-G341 WeakPolarHBondContact OH-CA 3.47Å
229A86.4Confident84.9Confident5 Ų547 Ų474%0.04136%0.364CS..BIsolated β-bridgetrans-110.7157.5172.100000109.7P231 P235 C236 F241 F338A229-P231 WeakPolarHBondContact O-CD 3.49Å; A229-P235 CarbonylContact O-C 3.56Å; A229-P235 WeakPolarHBondContact O-CA 3.46Å; A229-C236 PolarHBondContact N-O 3.19Å; A229-C236 PolarHBondContact O-N 2.75Å; A229-F241 HydrophobicContact CB-CB 4.29Å; A229-F241 HydrophobicContact CB-CD2 3.55Å; A229-F241 HydrophobicContact CB-CE2 4.19Å; A229-F241 HydrophobicContact CB-CG 3.92Å; A229-F338 HydrophobicContact CB-CE1 4.05Å
230L84Confident84.8Confident56 Ų5644.5 Ų44.529%0.29335%0.348SS..  trans-122.259178.1-70.2157.8000112.4E205 Y228 G232 G233 S234 P235E205-L230 VanDerWaalsContact CD-CD1 3.42Å; E205-L230 HydrophobicContact CG-CD1 3.16Å; E205-L230 HydrophobicContact CG-CG 4.49Å; Y228-L230 HydrophobicContact CD2-CD1 4.43Å; Y228-L230 HydrophobicContact CD2-CD2 4.37Å; Y228-L230 HydrophobicContact CD2-CG 4.01Å; Y228-L230 HydrophobicContact CE2-CD1 3.76Å; Y228-L230 HydrophobicContact CE2-CD2 4.18Å; Y228-L230 HydrophobicContact CE2-CG 3.81Å; L230-G232 PolarHBondContact O-N 3.37Å; L230-G233 PolarHBondContact O-N 2.83Å; L230-G233 VanDerWaalsContact O-N 3.09Å; L230-S234 WeakPolarHBondContact CA-O 3.5Å; L230-P235 HydrophobicContact CD2-CB 3.91Å
231P78.8Confident84.7Confident22 Ų2242.8 Ų42.814%0.14333%0.327CS..G310 helixtrans-59.6115.8175.526.4-33.2000109.8A229 G233 S234 C236 F241 Y245A229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-G233 PolarHBondContact O-N 3.36Å; P231-S234 WeakPolarHBondContact CD-O 3.47Å; P231-C236 HydrophobicContact CG-CB 3.85Å; P231-F241 HydrophobicContact CB-CD2 4.48Å; P231-F241 HydrophobicContact CB-CE2 4.26Å; P231-F241 HydrophobicContact CG-CD2 4.13Å; P231-F241 HydrophobicContact CG-CE2 4.4Å; P231-Y245 HydrophobicContact CB-CE2 4.1Å; P231-Y245 WeakPolarHBondContact CB-OH 3.36Å; P231-Y245 HydrophobicContact CG-CE2 4.5Å
232G75.9Confident84.7Confident89 Ų8946.8 Ų46.892%0.91834%0.339SS*.G310 helixtrans64.422.1-178.800000114.5L230L230-G232 PolarHBondContact O-N 3.37Å
233G79.8Confident84.6Confident53 Ų5346.3 Ų46.355%0.54633%0.33SS..G310 helixtrans84.92.9174.400000115.9L230 P231L230-G233 PolarHBondContact O-N 2.83Å; L230-G233 VanDerWaalsContact O-N 3.09Å; P231-G233 PolarHBondContact O-N 3.36Å
234S84.9Confident84.4Confident39 Ų3950.6 Ų50.627%0.27335%0.346SS..SBendtrans-104.7134.7173.3-67.20000110.8Q217 L230 P231Q217-S234 PolarHBondContact NE2-OG 3.03Å; L230-S234 WeakPolarHBondContact CA-O 3.5Å; P231-S234 WeakPolarHBondContact CD-O 3.47Å
235P88.5Confident84.4Confident7 Ų754.1 Ų54.15%0.04535%0.347CS..  trans-72135.5-173.931-36000111.2W209 F214 C216 Q217 L223 Y228 A229 L230W209-P235 HydrophobicContact CH2-CG 4.28Å; F214-P235 HydrophobicContact CD2-CB 4.49Å; F214-P235 HydrophobicContact CD2-CG 4.34Å; F214-P235 HydrophobicContact CE2-CB 3.82Å; F214-P235 HydrophobicContact CE2-CG 4.1Å; F214-P235 HydrophobicContact CZ-CB 4.23Å; C216-P235 CarbonylContact C-O 3.59Å; C216-P235 WeakPolarHBondContact CA-O 3.44Å; Q217-P235 PolarHBondContact N-O 3.1Å; L223-P235 HydrophobicContact CD1-CB 3.59Å; L223-P235 HydrophobicContact CD1-CG 4.3Å; Y228-P235 HydrophobicContact CD2-CB 4.4Å; A229-P235 CarbonylContact O-C 3.56Å; A229-P235 WeakPolarHBondContact O-CA 3.46Å; L230-P235 HydrophobicContact CD2-CB 3.91Å
236C90.3Very high84.2Confident0 Ų054 Ų540%033%0.327CS..BIsolated β-bridgetrans-136.4136.5-174.2-175.30000109.4D218 Y228 A229 P231 F241D218-C236 PolarHBondContact OD2-SG 3.26Å; Y228-C236 CarbonylContact C-O 3.55Å; Y228-C236 WeakPolarHBondContact CA-O 3.46Å; Y228-C236 WeakPolarHBondContact CB-O 3.21Å; A229-C236 PolarHBondContact N-O 3.19Å; A229-C236 PolarHBondContact O-N 2.75Å; P231-C236 HydrophobicContact CG-CB 3.85Å; C236-F241 PolarHBondContact SG-N 2.84Å; C236-F241 VanDerWaalsContact SG-N 3.37Å
237C91.6Very high83.3Confident20 Ų2057.1 Ų57.114%0.13534%0.343CS..  trans-74.2157176.274.70000110.7C216 L223 S239 C240 F241C216-C237 HydrophobicContact CB-CB 4.11Å; C216-C237 PolarHBondContact SG-N 3.35Å; L223-C237 HydrophobicContact CD2-CB 3.6Å; C237-S239 VanDerWaalsContact C-N 3.29Å; C237-S239 PolarHBondContact O-N 2.87Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 VanDerWaalsContact SG-CB 3.56Å; C237-C240 PolarHBondContact SG-N 3.21Å; C237-C240 VanDerWaalsContact SG-N 3.39Å; C237-C240 PolarHBondContact SG-SG 3.39Å; C237-F241 WeakPolarHBondContact O-CB 3.36Å; C237-F241 PolarHBondContact O-N 2.82Å
238P88.6Confident81.9Confident50 Ų5058.1 Ų58.133%0.32536%0.358SS..Hα-helixtrans-57.9-40.3-177.4-23.632.9000112.8P227 F241 E242P227-P238 HydrophobicContact CB-CG 4.26Å; P227-P238 HydrophobicContact CG-CG 3.87Å; P227-P238 WeakPolarHBondContact O-CD 3.47Å; P227-P238 WeakPolarHBondContact O-CG 3.18Å; P238-F241 PolarHBondContact O-N 3.27Å; P238-E242 WeakPolarHBondContact O-CB 3.46Å; P238-E242 PolarHBondContact O-N 3.46Å
239S90.1Very high80.2Confident79 Ų7961.2 Ų61.255%0.55239%0.392SS*.Hα-helixtrans-65-42.3179.7-500000112.6C237 N243C237-S239 VanDerWaalsContact C-N 3.29Å; C237-S239 PolarHBondContact O-N 2.87Å; S239-N243 WeakPolarHBondContact O-CB 3.16Å; S239-N243 PolarHBondContact O-N 2.88Å; S239-N243 VanDerWaalsContact O-N 3.1Å; S239-N243 PolarHBondContact O-ND2 3.46Å
240C91.4Very high78.4Confident21 Ų2165 Ų6514%0.14242%0.418CS..Hα-helixtrans-71.9-36.9176.7-70.90000111.6D218 C237 N243 R244D218-C240 HydrophobicContact CB-CB 3.69Å; D218-C240 VanDerWaalsContact CB-SG 3.56Å; D218-C240 WeakPolarHBondContact OD2-CB 3.46Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 VanDerWaalsContact SG-CB 3.56Å; C237-C240 PolarHBondContact SG-N 3.21Å; C237-C240 VanDerWaalsContact SG-N 3.39Å; C237-C240 PolarHBondContact SG-SG 3.39Å; C240-N243 PolarHBondContact O-N 2.82Å; C240-R244 WeakPolarHBondContact O-CG 3.39Å; C240-R244 PolarHBondContact O-N 3.24Å
241F88.3Confident76.4Confident37 Ų3770.8 Ų70.816%0.16245%0.45CS..Hα-helixtrans-59.9-53174.5-178.5-87.9000110.2A229 P231 C236 C237 P238 N243 R244 Y245 F338A229-F241 HydrophobicContact CB-CB 4.29Å; A229-F241 HydrophobicContact CB-CD2 3.55Å; A229-F241 HydrophobicContact CB-CE2 4.19Å; A229-F241 HydrophobicContact CB-CG 3.92Å; P231-F241 HydrophobicContact CB-CD2 4.48Å; P231-F241 HydrophobicContact CB-CE2 4.26Å; P231-F241 HydrophobicContact CG-CD2 4.13Å; P231-F241 HydrophobicContact CG-CE2 4.4Å; C236-F241 PolarHBondContact SG-N 2.84Å; C236-F241 VanDerWaalsContact SG-N 3.37Å; C237-F241 WeakPolarHBondContact O-CB 3.36Å; C237-F241 PolarHBondContact O-N 2.82Å; P238-F241 PolarHBondContact O-N 3.27Å; F241-N243 VanDerWaalsContact C-N 3.34Å; F241-N243 PolarHBondContact O-N 3.08Å; F241-R244 WeakPolarHBondContact O-CB 3.22Å; F241-R244 PolarHBondContact O-N 2.61Å; F241-Y245 HydrophobicContact CD1-CD2 4.09Å; F241-Y245 AromaticContact CD2-CD2 3.61Å; F241-Y245 HydrophobicContact CD2-CD2 3.61Å; F241-Y245 AromaticContact CD2-CE2 3.5Å; F241-Y245 HydrophobicContact CD2-CE2 3.5Å; F241-Y245 AromaticContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CE2 4.46Å; F241-Y245 HydrophobicContact CE1-CG 4.26Å; F241-Y245 AromaticContact CE2-CD2 3.2Å; F241-Y245 HydrophobicContact CE2-CD2 3.2Å; F241-Y245 AromaticContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CG 4.2Å; F241-Y245 AromaticContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CE2 4.31Å; F241-Y245 AromaticContact CZ-CD2 3.16Å; F241-Y245 HydrophobicContact CZ-CD2 3.16Å; F241-Y245 AromaticContact CZ-CE2 3.58Å; F241-Y245 HydrophobicContact CZ-CE2 3.58Å; F241-Y245 AromaticContact CZ-CG 3.78Å; F241-Y245 HydrophobicContact CZ-CG 3.78Å; F241-Y245 WeakPolarHBondContact O-CD2 3.43Å; F241-Y245 PolarHBondContact O-N 3.23Å; F241-Y245 VanDerWaalsContact O-N 3.1Å; F241-F338 HydrophobicContact CD1-CE1 4.14Å; F241-F338 HydrophobicContact CD1-CZ 4.21Å; F241-F338 HydrophobicContact CD2-CE1 4.48Å; F241-F338 HydrophobicContact CD2-CZ 4.45Å; F241-F338 AromaticContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE2 4.15Å; F241-F338 AromaticContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE2-CE1 4.05Å; F241-F338 AromaticContact CE2-CZ 3.6Å; F241-F338 HydrophobicContact CE2-CZ 3.6Å; F241-F338 AromaticContact CZ-CE1 3.72Å; F241-F338 HydrophobicContact CZ-CE1 3.72Å; F241-F338 AromaticContact CZ-CE2 3.91Å; F241-F338 HydrophobicContact CZ-CE2 3.91Å; F241-F338 AromaticContact CZ-CZ 3.03Å; F241-F338 HydrophobicContact CZ-CZ 3.03Å
242E88.6Confident74.5Confident105 Ų10574.8 Ų74.849%0.49148%0.478SS..Hα-helixtrans-57.2-46.9179.6-176.6163.4-142.700111.4P238 R244 Y245 Q246P238-E242 WeakPolarHBondContact O-CB 3.46Å; P238-E242 PolarHBondContact O-N 3.46Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-Y245 PolarHBondContact O-N 3.48Å; E242-Q246 HydrophobicContact CG-CG 3.6Å; E242-Q246 VanDerWaalsContact O-CB 3.25Å; E242-Q246 WeakPolarHBondContact O-CB 3.2Å; E242-Q246 WeakPolarHBondContact O-CG 3.42Å; E242-Q246 PolarHBondContact O-N 3.28Å; E242-Q246 PolarHBondContact OE1-NE2 3.43Å
243N88.3Confident72.9Confident109 Ų10979.4 Ų79.458%0.58348%0.476SS*.Hα-helixtrans-59.6-35.3174.8-70.3-21000113.9S239 C240 F241S239-N243 WeakPolarHBondContact O-CB 3.16Å; S239-N243 PolarHBondContact O-N 2.88Å; S239-N243 VanDerWaalsContact O-N 3.1Å; S239-N243 PolarHBondContact O-ND2 3.46Å; C240-N243 PolarHBondContact O-N 2.82Å; F241-N243 VanDerWaalsContact C-N 3.34Å; F241-N243 PolarHBondContact O-N 3.08Å
244R82.9Confident70.6Confident97 Ų9786.3 Ų86.337%0.36649%0.494SS..Hα-helixtrans-70.9-33.8178.4-79.3-178.4174.4-166.87.4112.5D218 C240 F241 E242D218-R244 VanDerWaalsContact CG-CZ 3.42Å; D218-R244 IonicContact OD1-CZ 3.53Å; D218-R244 IonicContact OD1-NE 2.86Å; D218-R244 PolarHBondContact OD1-NE 3.26Å; D218-R244 IonicContact OD1-NH2 3.72Å; D218-R244 PolarHBondContact OD1-NH2 2.83Å; D218-R244 IonicContact OD2-CZ 3.46Å; D218-R244 IonicContact OD2-NE 3.58Å; D218-R244 PolarHBondContact OD2-NE 3.44Å; D218-R244 IonicContact OD2-NH1 2.61Å; D218-R244 IonicContact OD2-NH2 4Å; D218-R244 PolarHBondContact OD2-NH2 3.48Å; D218-R244 VanDerWaalsContact OD2-NH2 3.08Å; C240-R244 WeakPolarHBondContact O-CG 3.39Å; C240-R244 PolarHBondContact O-N 3.24Å; F241-R244 WeakPolarHBondContact O-CB 3.22Å; F241-R244 PolarHBondContact O-N 2.61Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.18Å
245Y75Confident68.1Low117 Ų11788.8 Ų88.846%0.45952%0.517SS..Hα-helixtrans-113.1-10.3-168.6-63.7-77.5000115P231 F241 E242 S247 A248P231-Y245 HydrophobicContact CB-CE2 4.1Å; P231-Y245 WeakPolarHBondContact CB-OH 3.36Å; P231-Y245 HydrophobicContact CG-CE2 4.5Å; F241-Y245 HydrophobicContact CD1-CD2 4.09Å; F241-Y245 AromaticContact CD2-CD2 3.61Å; F241-Y245 HydrophobicContact CD2-CD2 3.61Å; F241-Y245 AromaticContact CD2-CE2 3.5Å; F241-Y245 HydrophobicContact CD2-CE2 3.5Å; F241-Y245 AromaticContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CE2 4.46Å; F241-Y245 HydrophobicContact CE1-CG 4.26Å; F241-Y245 AromaticContact CE2-CD2 3.2Å; F241-Y245 HydrophobicContact CE2-CD2 3.2Å; F241-Y245 AromaticContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CG 4.2Å; F241-Y245 AromaticContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CE2 4.31Å; F241-Y245 AromaticContact CZ-CD2 3.16Å; F241-Y245 HydrophobicContact CZ-CD2 3.16Å; F241-Y245 AromaticContact CZ-CE2 3.58Å; F241-Y245 HydrophobicContact CZ-CE2 3.58Å; F241-Y245 AromaticContact CZ-CG 3.78Å; F241-Y245 HydrophobicContact CZ-CG 3.78Å; F241-Y245 WeakPolarHBondContact O-CD2 3.43Å; F241-Y245 PolarHBondContact O-N 3.23Å; F241-Y245 VanDerWaalsContact O-N 3.1Å; E242-Y245 PolarHBondContact O-N 3.48Å; Y245-S247 VanDerWaalsContact C-N 3.25Å; Y245-S247 PolarHBondContact O-N 3.1Å; Y245-A248 PolarHBondContact O-N 3.19Å
246Q67.6Low66.1Low109 Ų10994.2 Ų94.251%0.50955%0.552SS.*G310 helixtrans-65.8-25172.4-82.4-177.6-12.200113.3E242 A248E242-Q246 HydrophobicContact CG-CG 3.6Å; E242-Q246 VanDerWaalsContact O-CB 3.25Å; E242-Q246 WeakPolarHBondContact O-CB 3.2Å; E242-Q246 WeakPolarHBondContact O-CG 3.42Å; E242-Q246 PolarHBondContact O-N 3.28Å; E242-Q246 PolarHBondContact OE1-NE2 3.43Å; Q246-A248 PolarHBondContact O-N 3.02Å
247S57.4Low63.3Low101 Ų101103.7 Ų103.771%0.70660%0.596SS**G310 helixtrans-75.9-3.4-179.8-51.20000114.6Y245Y245-S247 VanDerWaalsContact C-N 3.25Å; Y245-S247 PolarHBondContact O-N 3.1Å
248A53.5Low60.4Low95 Ų95105.8 Ų105.879%0.78562%0.622SS**G310 helixtrans-92.1-5.4179.900000113.9Y245 Q246Y245-A248 PolarHBondContact O-N 3.19Å; Q246-A248 PolarHBondContact O-N 3.02Å
249G52.4Low57.9Low74 Ų74113.1 Ų113.176%0.76365%0.651SS**SBendtrans-114.4-2.3-171.800000116.6
250S47.9Very low55.1Low84 Ų84113.5 Ų113.559%0.58766%0.659SS**  trans-127.367-174.558.60000112.6
251N42.9Very low52.4Low178 Ų178117.6 Ų117.695%0.95269%0.688SS**  trans-97.780.9142.4-83.8-8.2000107.2
252S39.1Very low49.7Very low106 Ų106124 Ų12474%0.74172%0.723SS**  trans-119.9121.1145.1420000105.7
253E41.7Very low46.9Very low187 Ų187122.9 Ų122.987%0.87474%0.74SS**  trans-54.1131.4172.1-65.3161122.400109.1
254E32.2Very low44Very low197 Ų197120.8 Ų120.892%0.92174%0.744SS**  trans-157.2124.6134.2-112.1172.5170.500110.5
255A31Very low41.4Very low91 Ų91123.4 Ų123.475%0.75277%0.771SS**  trans-81.4174.3-178.900000110.6
256P46.6Very low39.3Very low122 Ų122121.1 Ų121.179%0.79278%0.783SS**  trans-92.9137.6-153.135.8-33.1000114.1
257E32.1Very low37.8Very low198 Ų198122.4 Ų122.493%0.92580%0.801SS**  trans-142.9119.1155.4-63.6-172.7150.700105.3
258G30.5Very low36.6Very low65 Ų65124.6 Ų124.667%0.6781%0.805SS**  cis1026929.100000109.9
259H36.9Very low36.3Very low204 Ų204124.9 Ų124.994%0.94480%0.798SS**  trans-158.5125.6153.6-101.3-72.7000112.2
260A31Very low35.2Very low87 Ų87126.6 Ų126.672%0.71980%0.799SS**  trans-93.5152.9-176.600000113.1
261S33.8Very low34.6Very low106 Ų106128.8 Ų128.874%0.74181%0.809SS**  172125117.8-830000115.9
262L32.4Very low33.8Very low171 Ų171123.8 Ų123.890%0.89580%0.799SS**  71.6115.1128.6-68.8163.8000123.7
263G28.7Very low33.4Very low82 Ų82129.9 Ų129.985%0.84581%0.806SS**  trans95.1129135.800000115.8
264G29Very low32.8Very low66 Ų66129.1 Ų129.168%0.6881%0.807SS**  cis173.6177.83.400000108.7
265T28.7Very low32.7Very low151 Ų151131.1 Ų131.193%0.92681%0.806SS**  trans81114.3172.959.60000118.8
266G30.8Very low32.6Very low69 Ų69131 Ų13171%0.71181%0.806SS**  trans-72.6-178.5159.800000112
267P36.2Very low31.9Very low137 Ų137131.8 Ų131.889%0.8981%0.812SS**  -143.6172.766.835.9-16.1000115.8
268D31.1Very low31.9Very low147 Ų147127.5 Ų127.579%0.78681%0.805SS**  trans-90.1-175.6171.8-152.515.2000110.2
269P46.5Very low32.1Very low100 Ų100132 Ų13265%0.64981%0.813SS**  -111.4-173.5-82.729.1-11.6000113.6
270S30.3Very low31.8Very low110 Ų110130.1 Ų130.177%0.76981%0.81SS**  trans90.8100.115775.30000119.6
271V35Very low31.8Very low131 Ų131135.5 Ų135.579%0.79482%0.817SS**  trans-147.9114.9143.8-171.20000109.1
272G27.3Very low31.7Very low72 Ų72137.7 Ų137.774%0.74282%0.819SS**  trans-74.5141.7174.900000112.5
273W28.8Very low31.6Very low235 Ų235136.8 Ų136.889%0.8981%0.813SS**  trans-11288.2171.7-75.825.2000109
274N29Very low31.5Very low170 Ų170142.2 Ų142.291%0.90981%0.814SS**  trans-77.5120.7152.5-74.2-40.6000107.3
275R32Very low31.5Very low239 Ų239150.1 Ų150.190%0.90282%0.823SS**  trans-139.2103.3158.8-165.3167.1-79.2-176.4-3.6109.3
276A28.8Very low31.5Very low90 Ų90150.8 Ų150.874%0.74482%0.822SS**PPolyproline II helixtrans-61.9139.7169.200000110.3
277C31.9Very low31.4Very low137 Ų137151 Ų15193%0.92682%0.824SS**PPolyproline II helixtrans-93.8119164.7-118.90000107.6
278S32Very low31.3Very low109 Ų109151.5 Ų151.576%0.76282%0.818SS**PPolyproline II helixtrans-82.7156.9177.1-58.20000112
279D33.4Very low31.1Very low158 Ų158153.7 Ų153.785%0.84582%0.821SS**PPolyproline II helixtrans-51.2136.4-179.7-58.8-62.8000115.1
280D31.5Very low30.2Very low165 Ų165153.3 Ų153.388%0.88282%0.821SS**  trans-117.6117.9157.7-94.7-38.9000110.4
281K30.8Very low30.1Very low200 Ų200154.1 Ų154.187%0.8782%0.821SS**  trans-96.9103.9-177.8-155.6-176.6-168.5-175.50107.7
282I31.8Very low29.7Very low153 Ų153154.9 Ų154.979%0.78583%0.826SS**  trans-86119.8174.9-66.6-165.2000110.6
283I30.3Very low29.7Very low151 Ų151155.6 Ų155.677%0.77483%0.825SS**  trans-74.6127.1172.8-63.7-179.2000109
284F25.7Very low29.7Very low196 Ų196149.5 Ų149.586%0.8682%0.818SS**  trans-108.9137.4163.1-123.9-92.4000110.2
285R29.4Very low29.5Very low232 Ų232146.4 Ų146.488%0.87581%0.81SS**  trans-90.2123-168.7179.6166.365.8-164.22.6110.3
286D28.9Very low29.3Very low166 Ų166140.7 Ų140.789%0.88880%0.802SS**  trans-68.9139.5171.9-75.2-46.2000112.3
287G29.3Very low29.2Very low74 Ų74144.5 Ų144.576%0.76381%0.808SS**  trans-137.3120.116700000109.5
288L32.3Very low28.9Very low146 Ų146141.2 Ų141.276%0.76480%0.798SS**  trans-65.1154.2-176.4-79.8106.2000115
289F27.3Very low29.3Very low194 Ų194142 Ų14285%0.85180%0.801SS**  170.9105.7113.9-83.1-64.9000108.5
290S27.8Very low29.6Very low92 Ų92139.7 Ų139.764%0.64379%0.794SS**  77108.192.8-75.40000117.7
291T27.6Very low29.5Very low127 Ų127137.2 Ų137.278%0.77979%0.79SS**  trans48.5133.8133.148.10000120.1
292V28.2Very low30.1Very low146 Ų146133.3 Ų133.389%0.88579%0.785SS**  -173.5175.463.1-79.10000111.4
293A26.8Very low29.8Very low87 Ų87130.2 Ų130.272%0.71978%0.782SS**  trans-91.7161.9-16500000118.6
294S27.8Very low29.7Very low108 Ų108127.7 Ų127.776%0.75578%0.778SS**  trans58.4123.4137-64.10000124.9
295S26.7Very low29.8Very low105 Ų105128.4 Ų128.473%0.73478%0.781SS**  82.8132.9126.6-55.70000124.4
296T25.8Very low29.7Very low119 Ų119120.3 Ų120.373%0.7377%0.769SS**  trans84.6124.9136.126.10000124.5
297L26.8Very low29.7Very low169 Ų169121.2 Ų121.289%0.88577%0.768SS**  trans68.2127.1133.3-72.5159.2000122.3
298G26Very low29.7Very low69 Ų69123.7 Ų123.771%0.71176%0.764SS**  trans130.3121.6131.500000118.1
299P41.2Very low29.6Very low125 Ų125127 Ų12781%0.81277%0.766SS**  trans-92.2-164.2177.242.9-36.1000110.5
300P39.7Very low29.7Very low110 Ų110125.2 Ų125.271%0.71477%0.765SS**  cis-145.8170.111.743.2-22000118.6
301S28.5Very low29.8Very low112 Ų112131.4 Ų131.478%0.78378%0.775SS**  trans44.1171.9130.8-62.30000123.3
302P43.5Very low30.9Very low118 Ų118129.5 Ų129.577%0.76676%0.764SS**  cis-139.8-160.9-42.438.7-19.7000112.5
303A25.8Very low30.9Very low89 Ų89131.6 Ų131.674%0.73676%0.764SS**  trans96.8136.7157.600000115.5
304S28.5Very low30.9Very low97 Ų97133.7 Ų133.768%0.67877%0.768SS**  cis-177.6150.4832.80000110.1
305K27.3Very low31.7Very low212 Ų212134.5 Ų134.592%0.92277%0.771SS**  trans55.7142.8139.6-63.1174.4177.7-177.10118.3
306G28.8Very low31.7Very low61 Ų61133.2 Ų133.263%0.62977%0.774SS**  cis-171.3159.311.400000108.2
307Q28.7Very low32Very low186 Ų186135.1 Ų135.187%0.86978%0.78SS**  52.7125.5115.6-70178.2-76.300114.7
308D28.6Very low33.1Very low125 Ų125131.9 Ų131.967%0.66877%0.769SS**  cis-162.4143.749.6-114.4-54.5000108.7
309R30.6Very low33.3Very low216 Ų216136.9 Ų136.982%0.81577%0.771SS**  35.6122.9105.4-59.5-173.8157-165.8-5.3114.2
310D29.5Very low32.9Very low156 Ų156137.7 Ų137.783%0.83476%0.764SS**  -171.4172.164.6-122.5-56.2000112.9
311R30.1Very low32.5Very low223 Ų223139.3 Ų139.384%0.84277%0.767SS**  trans-92.9-165.1-165.9-157.3-158.1162169.1-7.3112.9
312P49.6Very low32.7Very low87 Ų87138.7 Ų138.757%0.56576%0.762SS**  -112.8-179.4-101.641.1-25.1000115.4
313Q28.5Very low32.2Very low189 Ų189142.6 Ų142.688%0.88377%0.768SS**  177.2137.5125.1-94.7168.630.300113.5
314T26.8Very low33Very low131 Ų131144.1 Ų144.180%0.80477%0.772SS**  trans-72.1-172.4163.7-4.50000110.8
315P43.9Very low33.7Very low126 Ų126144.9 Ų144.982%0.81877%0.774SS**  cis-138.5-179.9-12.132.7-10000115.1
316G27.8Very low34.2Very low77 Ų77140.7 Ų140.779%0.79477%0.767SS**  trans168.895.8160.900000115.1
317N31.7Very low34.4Very low159 Ų159143.2 Ų143.285%0.8577%0.773SS**  trans-85.1174156.8-129.8-13.7000107.7
318P48.9Very low34.7Very low101 Ų101139.8 Ų139.866%0.65677%0.77SS**  cis-145.5-162.224.433.8-7.5000115.2
319K30.4Very low35.1Very low174 Ų174139.1 Ų139.176%0.75778%0.775SS**  trans93.4131.7154.9-86-177.6168.1-143.70116
320E33.7Very low35.2Very low142 Ų142133.7 Ų133.766%0.66477%0.77SS**  cis-158.6149.920-55.4-172.613300110.9
321D30.4Very low35.8Very low144 Ų144132.1 Ų132.177%0.7777%0.771SS**  30.3142.6129.7-52.1-38.9000119.5
322S34.5Very low36.1Very low99 Ų99129.1 Ų129.169%0.69277%0.767SS**  cis177.1139.920.827.80000110.1
323F31.6Very low35.7Very low200 Ų200130.4 Ų130.488%0.87778%0.778SS**  trans49.8122.9140.7-67.7-81.6000124.9
324C43.3Very low36.3Very low121 Ų121128.8 Ų128.882%0.81877%0.771SS**  trans-53.6151.2144.3-56.60000111.3
325P43.1Very low36.9Very low113 Ų113127.8 Ų127.873%0.73477%0.766SS**  -152.3173.9107.934.1-14.9000116.2
326T36.9Very low37Very low124 Ų124131.2 Ų131.276%0.76177%0.772SS**  trans110.885.3159.873.20000115.7
327C34.2Very low37.4Very low114 Ų114130.3 Ų130.377%0.7776%0.762SS**  trans-39134.6141.149.10000112
328S33.8Very low38.2Very low115 Ų115128.6 Ų128.680%0.80475%0.747SS**  trans-120.9104.2148.6-71.80000106.1S330S328-S330 PolarHBondContact O-N 3.42Å
329S37Very low37.9Very low110 Ų110130.7 Ų130.777%0.76975%0.746SS**  trans-64.1121.2162.1-62.80000108
330S34.3Very low39.1Very low102 Ų102127.4 Ų127.471%0.71373%0.732SS**  trans-114.9104154.8-70.80000107.1S328 E332S328-S330 PolarHBondContact O-N 3.42Å; S330-E332 PolarHBondContact O-N 3.49Å
331S41.7Very low40.2Very low123 Ų123121.1 Ų121.186%0.8671%0.706SS**  trans-69.7107.4157.7-70.50000107.1
332E36.1Very low41.4Very low161 Ų161122.1 Ų122.175%0.75271%0.705SS**  trans-105.4105.5164.9-57.3-164.5121.900106.4S330 E334S330-E332 PolarHBondContact O-N 3.49Å; E332-E334 PolarHBondContact O-N 2.97Å
333S42Very low42.2Very low114 Ų114125.4 Ų125.480%0.79770%0.703SS**  trans-68.4109.1165.530.30000108.2
334E39.8Very low42.5Very low155 Ų155121.2 Ų121.272%0.72469%0.689SS**  trans-65.1125.2168.7-59.9-71.3119.400108.8E332E332-E334 PolarHBondContact O-N 2.97Å
335P39.8Very low41.9Very low110 Ų110121.1 Ų121.171%0.71469%0.687SS**  trans-66.6141.5154.330.4-29.9000107.1G337P335-G337 VanDerWaalsContact C-N 3.31Å; P335-G337 WeakPolarHBondContact O-CA 3.19Å; P335-G337 PolarHBondContact O-N 3.48Å
336E46.9Very low41.8Very low198 Ų198118.6 Ų118.693%0.92568%0.682SS**  trans-39.493177.4-112.2103.5173.900111.6F338E336-F338 PolarHBondContact O-N 3.01Å
337G35.8Very low42Very low57 Ų57117.6 Ų117.659%0.58868%0.677SS**  trans-87.8115.3-17200000107.5P335 F339P335-G337 VanDerWaalsContact C-N 3.31Å; P335-G337 WeakPolarHBondContact O-CA 3.19Å; P335-G337 PolarHBondContact O-N 3.48Å; G337-F339 PolarHBondContact O-N 3.16Å
338F47.1Very low42.3Very low123 Ų123115.6 Ų115.654%0.53965%0.654SS.*  trans-58.9107.5175.4-118.4-96.3000110.1A229 F241 E336 F340A229-F338 HydrophobicContact CB-CE1 4.05Å; F241-F338 HydrophobicContact CD1-CE1 4.14Å; F241-F338 HydrophobicContact CD1-CZ 4.21Å; F241-F338 HydrophobicContact CD2-CE1 4.48Å; F241-F338 HydrophobicContact CD2-CZ 4.45Å; F241-F338 AromaticContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE2 4.15Å; F241-F338 AromaticContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE2-CE1 4.05Å; F241-F338 AromaticContact CE2-CZ 3.6Å; F241-F338 HydrophobicContact CE2-CZ 3.6Å; F241-F338 AromaticContact CZ-CE1 3.72Å; F241-F338 HydrophobicContact CZ-CE1 3.72Å; F241-F338 AromaticContact CZ-CE2 3.91Å; F241-F338 HydrophobicContact CZ-CE2 3.91Å; F241-F338 AromaticContact CZ-CZ 3.03Å; F241-F338 HydrophobicContact CZ-CZ 3.03Å; E336-F338 PolarHBondContact O-N 3.01Å; F338-F340 HydrophobicContact CD1-CZ 4.41Å; F338-F340 PolarHBondContact O-N 3Å
339F44.6Very low42.3Very low145 Ų145119.8 Ų119.864%0.63666%0.657SS**  trans-88.3101.8178.6-165.8-101000109.6G337 G341G337-F339 PolarHBondContact O-N 3.16Å; F339-G341 PolarHBondContact O-N 3Å
340F54.7Low42.2Very low105 Ų105118.7 Ų118.746%0.46165%0.646SS.*  trans-78.1112.4165-67.8-72.2000108.1P227 F338P227-F340 HydrophobicContact CB-CD1 3.58Å; P227-F340 HydrophobicContact CB-CE1 3.99Å; P227-F340 HydrophobicContact CB-CG 4.25Å; F338-F340 HydrophobicContact CD1-CZ 4.41Å; F338-F340 PolarHBondContact O-N 3Å
341G56.2Low42.2Very low11 Ų11119.3 Ų119.311%0.11365%0.648CS.*  trans-66.1148.8-177.800000112.9E205 Y228 F339E205-G341 VanDerWaalsContact OE1-CA 3.28Å; E205-G341 WeakPolarHBondContact OE1-CA 3.25Å; Y228-G341 WeakPolarHBondContact CE1-O 3.37Å; Y228-G341 VanDerWaalsContact OH-CA 3.28Å; Y228-G341 WeakPolarHBondContact OH-CA 3.47Å; F339-G341 PolarHBondContact O-N 3Å
342Q56Low41.8Very low164 Ų164122.1 Ų122.177%0.76665%0.647SS**  trans-114.8147.9-177.3-65.4-176-10.100111.4
343R51Low41.6Very low168 Ų168120.9 Ų120.963%0.63465%0.646SS**PPolyproline II helixtrans-82.1139173.3-178.2-179.6-178.4-137.24.3110.8
344L37.5Very low41.3Very low112 Ų112122.6 Ų122.659%0.58665%0.645SS**PPolyproline II helixtrans-91.2142.4162.8-65.1179.6000111.2
345P32.2Very low41Very low119 Ų119124 Ų12477%0.77365%0.652SS**PPolyproline II helixtrans-88.7133178.332.2-29.5000112.8
346G41.2Very low40.5Very low61 Ų61123.6 Ų123.663%0.62966%0.658SS**  trans111.7151.8145.900000118.1
347P39.3Very low39.9Very low103 Ų103121.8 Ų121.867%0.66965%0.654SS**PPolyproline II helixtrans-73.9149.6-162.730.5-34.6000114.2
348W41Very low39.7Very low72 Ų72124.7 Ų124.727%0.27366%0.656SS.*PPolyproline II helixtrans-68.3140179.172.1-51.2000113.5T350W348-T350 HydrophobicContact CE3-CG2 3.98Å; W348-T350 HydrophobicContact CH2-CG2 3.19Å; W348-T350 HydrophobicContact CZ2-CG2 3.91Å; W348-T350 HydrophobicContact CZ3-CG2 3.25Å
349K34.8Very low39.1Very low203 Ų203128.9 Ų128.988%0.88367%0.669SS**PPolyproline II helixtrans-94.3126.5157.9-62.4-175.4-178.5-176.50107.8
350T35Very low38.7Very low87 Ų87129 Ų12953%0.53468%0.676SS.*PPolyproline II helixtrans-58.9146.3168.234.90000110.6W348 E352W348-T350 HydrophobicContact CE3-CG2 3.98Å; W348-T350 HydrophobicContact CH2-CG2 3.19Å; W348-T350 HydrophobicContact CZ2-CG2 3.91Å; W348-T350 HydrophobicContact CZ3-CG2 3.25Å; T350-E352 PolarHBondContact O-N 2.94Å
351P34Very low37.7Very low115 Ų115130.7 Ų130.775%0.74769%0.688SS**  trans-62.8111.4164.6-13.126.9000108.9N353P351-N353 PolarHBondContact O-N 3.1Å
352E32.6Very low36.8Very low182 Ų182134.8 Ų134.885%0.8572%0.715SS**  trans-67.1116169.8-110.6177146.300109.5T350T350-E352 PolarHBondContact O-N 2.94Å
353N31.4Very low35.9Very low134 Ų134137.8 Ų137.872%0.71772%0.719SS**  trans34.287.6141-140.2-2.9000117.8P351 Q355P351-N353 PolarHBondContact O-N 3.1Å; N353-Q355 PolarHBondContact O-N 2.99Å
354L36.1Very low35.4Very low151 Ų151140 Ų14079%0.79173%0.734SS**  trans-80.196.8160.8-73.3168.7000110.1
355Q33Very low35.4Very low185 Ų185142.8 Ų142.886%0.86474%0.743SS**  trans179113.8135.1-106.7175.7-24.500112.2N353N353-Q355 PolarHBondContact O-N 2.99Å
356A31.1Very low35.4Very low101 Ų101143.4 Ų143.484%0.83575%0.749SS**  176.7127.4113.800000110.8
357D34.1Very low35.6Very low160 Ų160144.9 Ų144.986%0.85675%0.746SS**  trans-47.8147.1168.9-83-62.4000114.3
358D31.3Very low35.4Very low118 Ų118147.1 Ų147.163%0.63175%0.751SS**  175.6135.389.2-153.917.1000112.3
359R34.9Very low35.3Very low210 Ų210153.1 Ų153.179%0.79280%0.801SS**  trans51.7109149.3-76.8161.6-151.3-1130.6123.6
360D35.6Very low35.3Very low149 Ų149150.6 Ų150.680%0.79780%0.797SS**  81.5143.4108.8-145.77.8000122.1
361I33.4Very low35.3Very low140 Ų140153.9 Ų153.972%0.71881%0.811SS**  trans96.887.9160.9-44.1173.8000118.4
362S37.4Very low35.4Very low96 Ų96156.1 Ų156.167%0.67182%0.815SS**  47.2130.6110.9-156.30000121.6
363R38.1Very low35.6Very low227 Ų227154.6 Ų154.686%0.85781%0.812SS**  trans78.1116.8157.3-74.7169.6176.5174.8-0.4117.7
364K40.5Very low35.8Very low215 Ų215155.9 Ų155.994%0.93582%0.818SS**  -146141.5104.4-61.3-163.5-177.7170.10112
365H35.9Very low35.8Very low170 Ų170156.2 Ų156.279%0.78782%0.82SS**  trans-46.1147.9175.8-124.3-114.2000115.2T367H365-T367 PolarHBondContact CE1-OG1 3.35Å; H365-T367 VanDerWaalsContact CE1-OG1 3.26Å; H365-T367 PolarHBondContact ND1-OG1 3.36Å
366C32.3Very low36Very low133 Ų133154.1 Ų154.190%0.89982%0.817SS**  trans-138.3123.3141-158.60000109.3
367T45.2Very low36.4Very low91 Ų91158.2 Ų158.256%0.55882%0.816SS**  trans-103.2141.2173.8-53.90000106.2H365H365-T367 PolarHBondContact CE1-OG1 3.35Å; H365-T367 VanDerWaalsContact CE1-OG1 3.26Å; H365-T367 PolarHBondContact ND1-OG1 3.36Å
368I34.9Very low36.6Very low151 Ų151158.1 Ų158.177%0.77481%0.813SS**  trans142.4120.5145.6-72160.1000111.4
369C39.6Very low37.1Very low197 Ų197161.7 Ų161.7100%1.33183%0.829SS**  trans61.90178.113.10000119

Retrieved 369 of 369 residues in 145.8 ms (Link to these results)