A0A087X4A9_POEFO Loading...

Neuropilin and tolloid like 1

AlphaFold DB , UniProt , Accession A0A087X4A9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M30.1Very low32.9Very low252 Ų252150.7 Ų150.7100%1.24181%0.805SS**  0157.60-81166.9158.500108.7
2V33.6Very low32.8Very low129 Ų129145.4 Ų145.478%0.78280%0.798SS**  trans-100.8154.3-171.5176.80000110.7
3H32.3Very low32.5Very low197 Ų197142.3 Ų142.391%0.91279%0.793SS**  trans161.7133.6141.2-86.597.4000108.4
4G34Very low32.3Very low55 Ų55142.6 Ų142.657%0.56779%0.791SS**  cis152.5116.8-14.700000113.7
5H39.6Very low32.1Very low194 Ų194142.7 Ų142.790%0.89879%0.789SS**  trans64.7162.3165.5-69.1-93.9000117.7
6S36.1Very low32.5Very low86 Ų86143.3 Ų143.360%0.60179%0.788SS**  cis-171.1144.9-27177.70000111.1
7F30.9Very low32.4Very low187 Ų187144.1 Ų144.182%0.8279%0.79SS**  trans16136.4151.8-73.8-111.7000121.8
8L30.1Very low32Very low140 Ų140140.3 Ų140.373%0.73379%0.79SS**  174.4152.3104.2-98.8140.4000114.7
9H30.3Very low32Very low161 Ų161142 Ų14275%0.74580%0.796SS**  trans54.7125.7167.8-63.3-63.4000120.8
10V31.8Very low32Very low123 Ų123141.4 Ų141.475%0.74580%0.801SS**  cis101100.39.2-171.70000116.9
11V33.3Very low31.9Very low134 Ų134138.7 Ų138.781%0.81281%0.805SS**  trans87144.8142.6164.50000122.5
12A31.1Very low32Very low87 Ų87131.5 Ų131.572%0.71979%0.785SS**  trans83.2152.7158.400000120.8
13S29.7Very low31.8Very low105 Ų105132.3 Ų132.373%0.73479%0.791SS**  cis-178.3139.9-41.8-104.70000112.5
14L29.6Very low31.7Very low147 Ų147131.8 Ų131.877%0.7779%0.786SS**  trans65.8140.8150.5-100.170.3000122.8
15L29.6Very low31.4Very low144 Ų144138.5 Ų138.575%0.75480%0.799SS**  trans70149.6157.7-58162.8000115.9
16I37.3Very low30.9Very low151 Ų151136.1 Ų136.177%0.77479%0.793SS**  cis-132.4137.217-68.7173.8000112.5
17L31.1Very low30.5Very low158 Ų158138 Ų13883%0.82780%0.801SS**  trans-8.6149.1147.9-63.4140.1000121.1
18G26.3Very low30.4Very low76 Ų76133.2 Ų133.278%0.78480%0.796SS**  trans172.161.5167.100000120.4
19L31.1Very low30.2Very low172 Ų172132.9 Ų132.990%0.90180%0.8SS**  trans28.4114.5153.2-67.8166000121.5
20S31.9Very low30.3Very low130 Ų130131 Ų13191%0.90980%0.8SS**  -164.1132.6119.2-82.70000110.4
21G29.9Very low30Very low84 Ų84133.8 Ų133.887%0.86680%0.802SS**  trans-106.4140.2-172.700000113.5
22A31.8Very low30.1Very low101 Ų101134.2 Ų134.284%0.83580%0.8SS**  trans-131.2107.1161.100000107.7K24A22-K24 PolarHBondContact O-N 3.49Å; A22-K24 VanDerWaalsContact O-N 3.14Å
23T31.1Very low30.5Very low146 Ų146137 Ų13790%0.89680%0.802SS**  trans-71.6106179.836.60000109.9K25T23-K25 PolarHBondContact O-N 2.91Å
24K29.3Very low30.9Very low187 Ų187133.6 Ų133.681%0.81378%0.779SS**  trans-60.1122.2159.6-91.9-170.7172.2-174.50107.7A22 D26A22-K24 PolarHBondContact O-N 3.49Å; A22-K24 VanDerWaalsContact O-N 3.14Å; K24-D26 PolarHBondContact O-N 3.14Å; K24-D26 VanDerWaalsContact O-N 3.16Å
25K28.3Very low31Very low195 Ų195129.9 Ų129.985%0.84878%0.776SS**  trans-78.494.2170.7-164.2179.2-173.7-174.60106.1T23 T27T23-K25 PolarHBondContact O-N 2.91Å; K25-T27 PolarHBondContact O-N 3.05Å
26D27.7Very low31.5Very low145 Ų145127.1 Ų127.178%0.77577%0.765SS**  trans-6599.8178.1-75.1-32.3000109K24 A28K24-D26 PolarHBondContact O-N 3.14Å; K24-D26 VanDerWaalsContact O-N 3.16Å; D26-A28 PolarHBondContact O-N 2.9Å
27T29Very low31.1Very low125 Ų125127.4 Ų127.477%0.76776%0.76SS**  trans-64.2102.8170.1-56.10000107.4K25 T29K25-T27 PolarHBondContact O-N 3.05Å; T27-T29 PolarHBondContact O-N 2.93Å
28A27.7Very low31.4Very low86 Ų86125.6 Ų125.671%0.71176%0.758SS**  trans-61.1105.2178.100000109.5D26 V30D26-A28 PolarHBondContact O-N 2.9Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 3.39Å
29T27.2Very low32Very low134 Ų134126.1 Ų126.182%0.82276%0.755SS**  trans-65.794.7168.315.90000108.2T27 K31T27-T29 PolarHBondContact O-N 2.93Å; T29-K31 PolarHBondContact O-N 3.39Å
30V30.8Very low32.5Very low122 Ų122121.2 Ų121.274%0.73975%0.746SS**  trans-52.8127.6169.2179.50000107.4A28 N32A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 3.39Å; V30-N32 PolarHBondContact O-N 2.96Å
31K27.3Very low33.2Very low180 Ų180122.4 Ų122.478%0.78374%0.737SS**  trans-73.1128174.7-67.1179.2-179.6176.70107.9T29 N33T29-K31 PolarHBondContact O-N 3.39Å; K31-N33 PolarHBondContact O-N 3.21Å
32N35.2Very low34.8Very low144 Ų144120.1 Ų120.177%0.7771%0.707SS**  trans-61.299.4170-66.913.8000108.9V30 S34V30-N32 PolarHBondContact O-N 2.96Å; N32-S34 VanDerWaalsContact C-N 3.26Å
33N38.5Very low36.1Very low145 Ų145117.2 Ų117.278%0.77569%0.688SS**  trans-82.9-8.2166.1-85.83.5000112K31 G35K31-N33 PolarHBondContact O-N 3.21Å; N33-G35 PolarHBondContact O-N 3.05Å
34S38Very low37.3Very low33 Ų33113.5 Ų113.523%0.23167%0.671CS.*  trans-52128.5-177.5-51.50000112.2N32 V36 E48N32-S34 VanDerWaalsContact C-N 3.26Å; S34-V36 PolarHBondContact O-N 3.25Å; S34-E48 WeakPolarHBondContact CA-OE1 3.29Å
35G31.6Very low38.3Very low69 Ų69107.7 Ų107.771%0.71164%0.644SS**  trans-66.415.317100000115.2N33 K37 E48N33-G35 PolarHBondContact O-N 3.05Å; G35-K37 PolarHBondContact O-N 3.43Å; G35-E48 PolarHBondContact N-OE1 3.21Å
36V39.8Very low39.6Very low86 Ų8699.3 Ų99.352%0.52161%0.61SS.*  trans-76.4111.7-178175.40000109.5S34S34-V36 PolarHBondContact O-N 3.25Å
37K30.1Very low40.8Very low157 Ų15796.7 Ų96.768%0.68359%0.591SS**  trans-60.8148.1168.1-74.6-179.8-179.2173.10110.2G35G35-K37 PolarHBondContact O-N 3.43Å
38P35.9Very low42.6Very low121 Ų12193.1 Ų93.179%0.78657%0.566SS**SBendtrans-61.5151.7-177.225.9-35.2000112.8
39A39.1Very low44.2Very low86 Ų8692.9 Ų92.971%0.71156%0.564SS**SBendtrans-15.2125.7-179.600000117.7
40G41.8Very low46.4Very low69 Ų6995.8 Ų95.871%0.71157%0.568SS**SBendtrans127.8-10.3168.700000115.5
41Q47.8Very low48.7Very low156 Ų15690.4 Ų90.473%0.72954%0.538SS*.  trans-135.1123.3173-69.4-178.8-21.600109.8
42C63.3Low51.5Low35 Ų3582.8 Ų82.824%0.23651%0.51CS..  trans-117.4162.4167.767.90000109.2P57 T67 C69C42-P57 HydrophobicContact CB-CB 4.39Å; C42-P57 HydrophobicContact CB-CG 4.1Å; C42-T67 VanDerWaalsContact SG-CG2 3.58Å; C42-C69 HydrophobicContact CB-CB 3.61Å; C42-C69 WeakPolarHBondContact CB-SG 3.42Å; C42-C69 VanDerWaalsContact SG-CA 3.51Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.93Å
43G58.7Low54Low41 Ų4178.8 Ų78.842%0.42349%0.488SS..  trans87.789.8-168.600000111.8V70G43-V70 VanDerWaalsContact CA-O 3.31Å; G43-V70 WeakPolarHBondContact CA-O 3.35Å
44A56.9Low56.3Low67 Ų6772 Ų7255%0.55445%0.452SS*.  trans-156.1152.2175.500000110.6V46A44-V46 PolarHBondContact O-N 2.95Å; A44-V46 VanDerWaalsContact O-N 3.16Å
45W50.3Low58.7Low65 Ų6572.2 Ų72.225%0.24645%0.452CS..  trans-69.6104.6179.1-75.387.7000112.5K47 I72 V244 E245W45-K47 HydrophobicContact CB-CG 4.46Å; W45-K47 VanDerWaalsContact CE3-CE 3.43Å; W45-K47 PolarHBondContact O-N 3.31Å; W45-K47 VanDerWaalsContact O-N 3.15Å; W45-I72 HydrophobicContact CE3-CB 4.12Å; W45-I72 HydrophobicContact CE3-CG2 4.45Å; W45-I72 HydrophobicContact CH2-CB 3.59Å; W45-I72 HydrophobicContact CH2-CD1 3.53Å; W45-I72 HydrophobicContact CH2-CG1 4.11Å; W45-I72 HydrophobicContact CH2-CG2 3.54Å; W45-I72 HydrophobicContact CZ2-CB 4.25Å; W45-I72 HydrophobicContact CZ2-CD1 3.61Å; W45-I72 HydrophobicContact CZ2-CG1 4.41Å; W45-I72 HydrophobicContact CZ3-CB 3.56Å; W45-I72 HydrophobicContact CZ3-CD1 4.4Å; W45-I72 HydrophobicContact CZ3-CG2 3.48Å; W45-I72 VanDerWaalsContact CZ3-CG2 3.48Å; W45-V244 HydrophobicContact CH2-CB 3.59Å; W45-V244 HydrophobicContact CH2-CG2 3.69Å; W45-V244 HydrophobicContact CZ2-CB 4.48Å; W45-V244 VanDerWaalsContact CZ2-N 3.31Å; W45-V244 HydrophobicContact CZ3-CB 4.26Å; W45-V244 HydrophobicContact CZ3-CG2 3.82Å; W45-E245 HydrophobicContact CZ2-CB 4Å; W45-E245 HydrophobicContact CZ2-CG 4.19Å; W45-E245 PolarHBondContact NE1-OE1 2.7Å; W45-E245 PolarHBondContact NE1-OE2 3.2Å
46V53.9Low61.5Low19 Ų1969 Ų6912%0.11542%0.418CS..  trans-84.588.7173.4-158.10000109.1A44 E48 L73 Y153A44-V46 PolarHBondContact O-N 2.95Å; A44-V46 VanDerWaalsContact O-N 3.16Å; V46-E48 HydrophobicContact CG1-CG 4.15Å; V46-L73 HydrophobicContact CB-CD2 4.12Å; V46-Y153 HydrophobicContact CG1-CE1 4.17Å; V46-Y153 VanDerWaalsContact CG1-OH 3.22Å; V46-Y153 WeakPolarHBondContact CG1-OH 2.98Å
47K53.6Low63.8Low91 Ų9165.6 Ų65.640%0.39640%0.398SS..  trans-103.153176.8-67.8-168178.9-153.70111.5W45 E74 S242W45-K47 HydrophobicContact CB-CG 4.46Å; W45-K47 VanDerWaalsContact CE3-CE 3.43Å; W45-K47 PolarHBondContact O-N 3.31Å; W45-K47 VanDerWaalsContact O-N 3.15Å; K47-E74 WeakPolarHBondContact CE-OE2 3.4Å; K47-E74 IonicContact NZ-OE2 3.8Å; K47-E74 PolarHBondContact NZ-OE2 2.93Å; K47-S242 PolarHBondContact NZ-O 3.25Å
48E67.4Low66.6Low49 Ų4961.3 Ų61.323%0.22938%0.383CS..  trans-84.1129.7172.4-63.6177.8-164.200109.4S34 G35 V46 E50 G51 F155S34-E48 WeakPolarHBondContact CA-OE1 3.29Å; G35-E48 PolarHBondContact N-OE1 3.21Å; V46-E48 HydrophobicContact CG1-CG 4.15Å; E48-E50 PolarHBondContact O-N 2.9Å; E48-G51 VanDerWaalsContact CB-O 3.26Å; E48-G51 WeakPolarHBondContact CB-O 3.3Å; E48-F155 WeakPolarHBondContact O-CE2 3.45Å
49A61.2Low69.1Low82 Ų8257.6 Ų57.668%0.67835%0.354SS*.THydrogen-bonded Turntrans-83.2-11.4-160.800000115.5
50E72.6Confident71.6Confident194 Ų19457.6 Ų57.691%0.90735%0.346SS*.THydrogen-bonded Turntrans-120.618.4-173.9-61-174.8175.600112.3E48E48-E50 PolarHBondContact O-N 2.9Å
51G79.8Confident73.9Confident10 Ų1059.8 Ų59.810%0.10334%0.341CS..  trans94.8-171.8-161.500000111.3E48 Y153 F155E48-G51 VanDerWaalsContact CB-O 3.26Å; E48-G51 WeakPolarHBondContact CB-O 3.3Å; G51-Y153 CarbonylContact C-O 3.46Å; G51-Y153 WeakPolarHBondContact CA-O 3.3Å; G51-F155 VanDerWaalsContact N-CE2 3.34Å
52G86.1Confident76Confident19 Ų1957.7 Ų57.720%0.19633%0.33CS..EExtended strand (participates in β ladder)trans176.6-171.2-178.500000114.6S152 Y153G52-S152 WeakPolarHBondContact O-CA 3.09Å; G52-Y153 VanDerWaalsContact C-CE1 3.49Å; G52-Y153 PolarHBondContact N-O 2.7Å; G52-Y153 WeakPolarHBondContact O-CD1 3.47Å; G52-Y153 PolarHBondContact O-N 3.25Å
53L87.2Confident77.4Confident60 Ų6056.2 Ų56.231%0.31432%0.319SS..EExtended strand (participates in β ladder)trans-137.8130.4-177.6162.963.1000109.9T55 S150L53-T55 HydrophobicContact CD1-CG2 4.43Å; L53-S150 VanDerWaalsContact CD1-OG 3.23Å; L53-S150 WeakPolarHBondContact CD1-OG 3.45Å
54F86.4Confident78.9Confident2 Ų256.1 Ų56.11%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-134.2154.6170.468.9-79000111.3Y71 L73 L83 I136 F149 A151 Y153F54-Y71 HydrophobicContact CB-CD1 4.18Å; F54-Y71 HydrophobicContact CB-CE1 4.15Å; F54-Y71 AromaticContact CD2-CD1 3.5Å; F54-Y71 HydrophobicContact CD2-CD1 3.5Å; F54-Y71 VanDerWaalsContact CD2-CD1 3.5Å; F54-Y71 HydrophobicContact CD2-CD2 4.17Å; F54-Y71 AromaticContact CD2-CE1 3.56Å; F54-Y71 HydrophobicContact CD2-CE1 3.56Å; F54-Y71 HydrophobicContact CD2-CE2 4.25Å; F54-Y71 AromaticContact CD2-CG 3.82Å; F54-Y71 HydrophobicContact CD2-CG 3.82Å; F54-Y71 AromaticContact CD2-CZ 3.95Å; F54-Y71 HydrophobicContact CE2-CD1 4.16Å; F54-Y71 HydrophobicContact CE2-CD2 4.1Å; F54-Y71 HydrophobicContact CE2-CE1 4.41Å; F54-Y71 HydrophobicContact CE2-CE2 4.39Å; F54-Y71 AromaticContact CE2-CG 3.99Å; F54-Y71 HydrophobicContact CE2-CG 3.99Å; F54-Y71 HydrophobicContact CG-CD1 4.03Å; F54-Y71 HydrophobicContact CG-CE1 4.24Å; F54-L73 HydrophobicContact CE1-CD1 4.3Å; F54-L83 HydrophobicContact CE1-CD1 3.75Å; F54-L83 HydrophobicContact CZ-CD1 3.93Å; F54-I136 HydrophobicContact CE1-CD1 4.29Å; F54-I136 HydrophobicContact CE2-CD1 4.4Å; F54-I136 HydrophobicContact CE2-CG2 4.44Å; F54-I136 HydrophobicContact CZ-CD1 3.61Å; F54-F149 AromaticContact CD2-CE2 3.89Å; F54-F149 HydrophobicContact CD2-CE2 3.89Å; F54-F149 AromaticContact CE2-CE2 3.69Å; F54-F149 HydrophobicContact CE2-CE2 3.69Å; F54-F149 HydrophobicContact CE2-CZ 4.32Å; F54-A151 HydrophobicContact CD1-CB 4.21Å; F54-A151 WeakPolarHBondContact CD1-O 3.42Å; F54-A151 HydrophobicContact CD2-CB 4.45Å; F54-A151 HydrophobicContact CE1-CB 3.7Å; F54-A151 HydrophobicContact CE2-CB 3.98Å; F54-A151 HydrophobicContact CZ-CB 3.56Å; F54-A151 PolarHBondContact N-O 2.72Å; F54-A151 PolarHBondContact O-N 2.72Å; F54-A151 VanDerWaalsContact O-O 3.13Å; F54-Y153 AromaticContact CD1-CD1 3.9Å; F54-Y153 HydrophobicContact CD1-CD1 3.9Å; F54-Y153 HydrophobicContact CD1-CE1 4.15Å; F54-Y153 HydrophobicContact CE1-CD1 4.01Å
55T89.8Confident80.6Confident39 Ų3955.1 Ų55.124%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-130.5166.5-178.270.70000110.6L53 Y59 Y71 F149L53-T55 HydrophobicContact CD1-CG2 4.43Å; T55-Y59 HydrophobicContact CG2-CD1 3.83Å; T55-Y59 HydrophobicContact CG2-CE1 4.46Å; T55-Y59 HydrophobicContact CG2-CG 4.32Å; T55-Y71 PolarHBondContact O-OH 3.5Å; T55-F149 CarbonylContact C-O 3.44Å; T55-F149 VanDerWaalsContact CA-O 3.28Å; T55-F149 WeakPolarHBondContact CA-O 3.2Å; T55-F149 WeakPolarHBondContact CB-O 3.14Å
56S90.5Very high82.5Confident0 Ų058.3 Ų58.30%032%0.321CS..  trans-59.3152.6157.854.50000110.5Y59 G148 F149S56-Y59 WeakPolarHBondContact O-CB 3.31Å; S56-Y59 PolarHBondContact O-N 3.47Å; S56-G148 WeakPolarHBondContact OG-CA 3.21Å; S56-F149 PolarHBondContact N-O 2.94Å; S56-F149 PolarHBondContact OG-N 2.82Å; S56-F149 PolarHBondContact OG-O 3.34Å
57P87.8Confident84Confident16 Ų1658.8 Ų58.810%0.10432%0.324CS..THydrogen-bonded Turntrans-52.5145.2168.517.6-28.8000111.8C42 Y59 Y63 P64 T67C42-P57 HydrophobicContact CB-CB 4.39Å; C42-P57 HydrophobicContact CB-CG 4.1Å; P57-Y59 PolarHBondContact O-N 2.96Å; P57-Y59 VanDerWaalsContact O-N 3.13Å; P57-Y63 WeakPolarHBondContact O-CA 3.39Å; P57-P64 HydrophobicContact CB-CG 4.21Å; P57-P64 HydrophobicContact CG-CG 4.13Å; P57-T67 HydrophobicContact CG-CG2 4.18Å
58N88.8Confident85.7Confident66 Ų6659.7 Ų59.735%0.35333%0.33SS..THydrogen-bonded Turntrans64.7-6.8-178.4-60.6-13.1000118.4N61 K62N58-N61 CarbonylContact C-O 3.45Å; N58-N61 HydrophobicContact CB-CB 4.48Å; N58-N61 WeakPolarHBondContact O-CA 3.35Å; N58-N61 VanDerWaalsContact O-CB 3.31Å; N58-N61 WeakPolarHBondContact O-CB 3.28Å; N58-N61 PolarHBondContact O-N 3.29Å; N58-N61 PolarHBondContact O-ND2 3.33Å; N58-N61 VanDerWaalsContact O-ND2 3.1Å; N58-K62 VanDerWaalsContact CB-O 3.26Å; N58-K62 WeakPolarHBondContact CB-O 3.3Å; N58-K62 PolarHBondContact ND2-O 3.25Å
59Y87.4Confident86.7Confident44 Ų4457.3 Ų57.317%0.17332%0.319CS..THydrogen-bonded Turntrans-48.2136.7179.1-176.5-93.6000112.4T55 S56 P57 E86 N88 V147 S150T55-Y59 HydrophobicContact CG2-CD1 3.83Å; T55-Y59 HydrophobicContact CG2-CE1 4.46Å; T55-Y59 HydrophobicContact CG2-CG 4.32Å; S56-Y59 WeakPolarHBondContact O-CB 3.31Å; S56-Y59 PolarHBondContact O-N 3.47Å; P57-Y59 PolarHBondContact O-N 2.96Å; P57-Y59 VanDerWaalsContact O-N 3.13Å; Y59-E86 PolarHBondContact OH-OE2 2.96Å; Y59-N88 WeakPolarHBondContact CE2-ND2 3.3Å; Y59-N88 PolarHBondContact OH-ND2 2.92Å; Y59-V147 HydrophobicContact CD2-CG1 4.17Å; Y59-V147 HydrophobicContact CE2-CG1 4.09Å; Y59-S150 VanDerWaalsContact CE1-CB 3.49Å; Y59-S150 VanDerWaalsContact CZ-CB 3.46Å
60P91.5Very high87.8Confident86 Ų8655.3 Ų55.356%0.55830%0.298SS*.THydrogen-bonded Turncis-89.3224.538-37.8000114.3
61N91.3Very high88.5Confident114 Ų11446.7 Ų46.761%0.6126%0.257SS*.SBendtrans-88.7165.3165.8-47.8-88.7000109.5N58 Y63N58-N61 CarbonylContact C-O 3.45Å; N58-N61 HydrophobicContact CB-CB 4.48Å; N58-N61 WeakPolarHBondContact O-CA 3.35Å; N58-N61 VanDerWaalsContact O-CB 3.31Å; N58-N61 WeakPolarHBondContact O-CB 3.28Å; N58-N61 PolarHBondContact O-N 3.29Å; N58-N61 PolarHBondContact O-ND2 3.33Å; N58-N61 VanDerWaalsContact O-ND2 3.1Å; N61-Y63 PolarHBondContact O-N 3.49Å
62K92.1Very high88.6Confident112 Ų11247 Ų4749%0.48726%0.256SS..PPolyproline II helixtrans-50.1136.5175.4-79.2177.9161.1-114.30112.5N58 E145 G146N58-K62 VanDerWaalsContact CB-O 3.26Å; N58-K62 WeakPolarHBondContact CB-O 3.3Å; N58-K62 PolarHBondContact ND2-O 3.25Å; K62-E145 HydrophobicContact CB-CB 4.36Å; K62-E145 HydrophobicContact CD-CB 4.33Å; K62-E145 WeakPolarHBondContact CE-O 3.47Å; K62-E145 HydrophobicContact CG-CB 4.44Å; K62-E145 PolarHBondContact NZ-O 2.9Å; K62-E145 IonicContact NZ-OE2 2.74Å; K62-E145 PolarHBondContact NZ-OE2 2.95Å; K62-G146 VanDerWaalsContact CA-O 3.27Å; K62-G146 WeakPolarHBondContact CA-O 3.41Å
63Y92Very high88.7Confident4 Ų446 Ų462%0.01625%0.247CC..PPolyproline II helixtrans-67.1154.917050.4-102.5000111.4P57 N61 E92 D100 F138 T140 E145 G146 G148P57-Y63 WeakPolarHBondContact O-CA 3.39Å; N61-Y63 PolarHBondContact O-N 3.49Å; Y63-E92 PolarHBondContact OH-N 3.36Å; Y63-E92 VanDerWaalsContact OH-N 3.13Å; Y63-D100 WeakPolarHBondContact CE2-OD2 3.02Å; Y63-D100 PolarHBondContact OH-OD2 3.01Å; Y63-F138 HydrophobicContact CD1-CE1 4.43Å; Y63-F138 AromaticContact CD1-CZ 3.77Å; Y63-F138 HydrophobicContact CD1-CZ 3.77Å; Y63-F138 HydrophobicContact CD2-CZ 4.04Å; Y63-F138 AromaticContact CE1-CZ 3.96Å; Y63-F138 HydrophobicContact CE1-CZ 3.96Å; Y63-F138 HydrophobicContact CE2-CZ 4.21Å; Y63-F138 HydrophobicContact CG-CE1 4.18Å; Y63-F138 AromaticContact CG-CZ 3.78Å; Y63-F138 HydrophobicContact CG-CZ 3.78Å; Y63-T140 HydrophobicContact CD2-CG2 3.36Å; Y63-T140 HydrophobicContact CE2-CG2 3.43Å; Y63-T140 VanDerWaalsContact CE2-CG2 3.43Å; Y63-T140 HydrophobicContact CG-CG2 4.17Å; Y63-E145 HydrophobicContact CD2-CB 3.77Å; Y63-E145 HydrophobicContact CD2-CG 4.33Å; Y63-E145 HydrophobicContact CE2-CB 3.59Å; Y63-E145 HydrophobicContact CE2-CG 4.27Å; Y63-E145 WeakPolarHBondContact O-CB 3.46Å; Y63-G146 WeakPolarHBondContact CD1-O 3.32Å; Y63-G146 VanDerWaalsContact CE1-N 3.33Å; Y63-G146 VanDerWaalsContact CE1-O 3.28Å; Y63-G146 WeakPolarHBondContact CE1-O 3.35Å; Y63-G146 PolarHBondContact N-O 3.16Å; Y63-G146 PolarHBondContact OH-N 3.47Å; Y63-G148 VanDerWaalsContact CD1-CA 3.42Å
64P91.3Very high88.5Confident39 Ų3944.3 Ų44.325%0.25324%0.237SC..PPolyproline II helixtrans-71148.1171.628.7-34.1000112.5P57 T67 T140P57-P64 HydrophobicContact CB-CG 4.21Å; P57-P64 HydrophobicContact CG-CG 4.13Å; P64-T67 HydrophobicContact CG-CG2 4.24Å; P64-T67 WeakPolarHBondContact CG-OG1 3.39Å; P64-T67 PolarHBondContact O-OG1 2.9Å; P64-T140 PolarHBondContact O-OG1 2.81Å
65P92Very high88.3Confident47 Ų4744.3 Ų44.331%0.30524%0.237SC..SBendtrans-71.2169.3170.330.8-35.7000112.1T67 D141 E145P65-T67 PolarHBondContact O-N 3.48Å; P65-T67 PolarHBondContact O-OG1 3.34Å; P65-D141 CarbonylContact C-O 3.51Å; P65-D141 VanDerWaalsContact CA-O 3.24Å; P65-D141 WeakPolarHBondContact CA-O 3.48Å; P65-D141 WeakPolarHBondContact CB-O 3.25Å; P65-E145 HydrophobicContact CB-CG 4.46Å
66N89.6Confident87.7Confident131 Ų13144.4 Ų44.470%0.70124%0.239SC*.SBendtrans49.438.3177.6-62.5-87.4000113.9T140 D141N66-T140 WeakPolarHBondContact CA-O 3.44Å; N66-T140 PolarHBondContact N-O 2.86Å; N66-T140 PolarHBondContact N-OG1 2.81Å; N66-D141 PolarHBondContact N-O 3.08Å
67T86.5Confident86.9Confident29 Ų2945.6 Ų45.618%0.17825%0.246CC..  trans-116.3131.5-170.1-660000110.9C42 P57 P64 P65 V139 T140C42-T67 VanDerWaalsContact SG-CG2 3.58Å; P57-T67 HydrophobicContact CG-CG2 4.18Å; P64-T67 HydrophobicContact CG-CG2 4.24Å; P64-T67 WeakPolarHBondContact CG-OG1 3.39Å; P64-T67 PolarHBondContact O-OG1 2.9Å; P65-T67 PolarHBondContact O-N 3.48Å; P65-T67 PolarHBondContact O-OG1 3.34Å; T67-V139 CarbonylContact O-C 3.59Å; T67-V139 WeakPolarHBondContact O-CA 3.47Å; T67-T140 WeakPolarHBondContact CB-OG1 3.42Å; T67-T140 PolarHBondContact N-O 3.49Å; T67-T140 PolarHBondContact N-OG1 3.03Å; T67-T140 PolarHBondContact O-N 3.28Å; T67-T140 PolarHBondContact O-OG1 3.01Å
68E88.9Confident86.2Confident110 Ų11046.2 Ų46.251%0.51425%0.246SC..EExtended strand (participates in β ladder)trans-115.3123.8173177.6166.6151.600110.1V70 K137 F138E68-V70 HydrophobicContact CG-CG2 4.42Å; E68-K137 VanDerWaalsContact OE1-CE 3.31Å; E68-K137 WeakPolarHBondContact OE1-CE 3.07Å; E68-K137 IonicContact OE1-NZ 3.47Å; E68-K137 PolarHBondContact OE1-NZ 2.77Å; E68-K137 VanDerWaalsContact OE2-CE 3.24Å; E68-K137 WeakPolarHBondContact OE2-CE 3.32Å; E68-K137 IonicContact OE2-NZ 2.64Å; E68-K137 PolarHBondContact OE2-NZ 2.04Å; E68-F138 WeakPolarHBondContact CA-O 3.21Å
69C87.1Confident85.9Confident0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-121.6123.9178.7-47.90000109.6C42 Y71 K137 F138C42-C69 HydrophobicContact CB-CB 3.61Å; C42-C69 WeakPolarHBondContact CB-SG 3.42Å; C42-C69 VanDerWaalsContact SG-CA 3.51Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.93Å; C69-Y71 HydrophobicContact CB-CD2 4.43Å; C69-Y71 HydrophobicContact CB-CE2 3.54Å; C69-K137 CarbonylContact O-C 3.54Å; C69-K137 WeakPolarHBondContact O-CA 3.41Å; C69-F138 HydrophobicContact CB-CB 4.24Å; C69-F138 HydrophobicContact CB-CD1 4.43Å; C69-F138 PolarHBondContact N-O 3.24Å; C69-F138 PolarHBondContact O-N 3.2Å
70V86Confident86Confident39 Ų3944 Ų4424%0.23624%0.236CC..EExtended strand (participates in β ladder)trans-116.8118.9175.5179.40000110.4G43 E68 I72 W135 I136 K137G43-V70 VanDerWaalsContact CA-O 3.31Å; G43-V70 WeakPolarHBondContact CA-O 3.35Å; E68-V70 HydrophobicContact CG-CG2 4.42Å; V70-I72 HydrophobicContact CG1-CD1 4.31Å; V70-I72 HydrophobicContact CG1-CG1 4.1Å; V70-W135 HydrophobicContact CG1-CZ2 4.17Å; V70-W135 HydrophobicContact CG2-CZ2 4.37Å; V70-I136 CarbonylContact C-O 3.59Å; V70-I136 WeakPolarHBondContact CA-O 3.36Å; V70-K137 HydrophobicContact CG2-CB 4.33Å; V70-K137 HydrophobicContact CG2-CD 4.38Å; V70-K137 HydrophobicContact CG2-CG 4.22Å
71Y86.1Confident86Confident14 Ų1439.9 Ų39.96%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-110.9131.9177-46.2-103.5000108.1F54 T55 C69 I136 F149F54-Y71 HydrophobicContact CB-CD1 4.18Å; F54-Y71 HydrophobicContact CB-CE1 4.15Å; F54-Y71 AromaticContact CD2-CD1 3.5Å; F54-Y71 HydrophobicContact CD2-CD1 3.5Å; F54-Y71 VanDerWaalsContact CD2-CD1 3.5Å; F54-Y71 HydrophobicContact CD2-CD2 4.17Å; F54-Y71 AromaticContact CD2-CE1 3.56Å; F54-Y71 HydrophobicContact CD2-CE1 3.56Å; F54-Y71 HydrophobicContact CD2-CE2 4.25Å; F54-Y71 AromaticContact CD2-CG 3.82Å; F54-Y71 HydrophobicContact CD2-CG 3.82Å; F54-Y71 AromaticContact CD2-CZ 3.95Å; F54-Y71 HydrophobicContact CE2-CD1 4.16Å; F54-Y71 HydrophobicContact CE2-CD2 4.1Å; F54-Y71 HydrophobicContact CE2-CE1 4.41Å; F54-Y71 HydrophobicContact CE2-CE2 4.39Å; F54-Y71 AromaticContact CE2-CG 3.99Å; F54-Y71 HydrophobicContact CE2-CG 3.99Å; F54-Y71 HydrophobicContact CG-CD1 4.03Å; F54-Y71 HydrophobicContact CG-CE1 4.24Å; T55-Y71 PolarHBondContact O-OH 3.5Å; C69-Y71 HydrophobicContact CB-CD2 4.43Å; C69-Y71 HydrophobicContact CB-CE2 3.54Å; Y71-I136 HydrophobicContact CD2-CG2 4.4Å; Y71-I136 PolarHBondContact N-O 2.86Å; Y71-I136 PolarHBondContact O-N 3.23Å; Y71-F149 HydrophobicContact CE2-CZ 4.19Å
72I83Confident86.2Confident15 Ų1536.2 Ų36.28%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-126.6118.1177.3-53.2176.1000108W45 V70 P108 L134 W135W45-I72 HydrophobicContact CE3-CB 4.12Å; W45-I72 HydrophobicContact CE3-CG2 4.45Å; W45-I72 HydrophobicContact CH2-CB 3.59Å; W45-I72 HydrophobicContact CH2-CD1 3.53Å; W45-I72 HydrophobicContact CH2-CG1 4.11Å; W45-I72 HydrophobicContact CH2-CG2 3.54Å; W45-I72 HydrophobicContact CZ2-CB 4.25Å; W45-I72 HydrophobicContact CZ2-CD1 3.61Å; W45-I72 HydrophobicContact CZ2-CG1 4.41Å; W45-I72 HydrophobicContact CZ3-CB 3.56Å; W45-I72 HydrophobicContact CZ3-CD1 4.4Å; W45-I72 HydrophobicContact CZ3-CG2 3.48Å; W45-I72 VanDerWaalsContact CZ3-CG2 3.48Å; V70-I72 HydrophobicContact CG1-CD1 4.31Å; V70-I72 HydrophobicContact CG1-CG1 4.1Å; I72-P108 HydrophobicContact CG2-CB 4.32Å; I72-L134 WeakPolarHBondContact CA-O 3.33Å; I72-W135 HydrophobicContact CG1-CG 4.34Å
73L86.4Confident86.3Confident0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-98.2132-177.8-56.9-179.6000108.8V46 F54 I81 Y133 L134 I136 Y153V46-L73 HydrophobicContact CB-CD2 4.12Å; F54-L73 HydrophobicContact CE1-CD1 4.3Å; L73-I81 HydrophobicContact CB-CD1 3.77Å; L73-I81 HydrophobicContact CD1-CG2 4.1Å; L73-Y133 WeakPolarHBondContact O-CA 3.24Å; L73-L134 HydrophobicContact CB-CB 4.39Å; L73-L134 HydrophobicContact CD1-CB 4.5Å; L73-L134 PolarHBondContact N-O 3.34Å; L73-L134 PolarHBondContact O-N 3.01Å; L73-I136 HydrophobicContact CD1-CD1 3.91Å; L73-I136 HydrophobicContact CG-CD1 4.41Å; L73-Y153 HydrophobicContact CD1-CD1 3.95Å; L73-Y153 HydrophobicContact CD1-CD2 4.19Å; L73-Y153 HydrophobicContact CD1-CE1 4.5Å; L73-Y153 HydrophobicContact CD1-CG 3.78Å; L73-Y153 HydrophobicContact CD2-CD1 3.97Å; L73-Y153 HydrophobicContact CD2-CD2 4.47Å; L73-Y153 HydrophobicContact CD2-CE1 3.68Å; L73-Y153 HydrophobicContact CD2-CE2 4.23Å; L73-Y153 HydrophobicContact CD2-CG 4.36Å
74E83.8Confident86.5Confident24 Ų2434.7 Ų34.711%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-122.1103.3176.4175174-170.100108.7K47 R132 Y133 R269K47-E74 WeakPolarHBondContact CE-OE2 3.4Å; K47-E74 IonicContact NZ-OE2 3.8Å; K47-E74 PolarHBondContact NZ-OE2 2.93Å; E74-R132 IonicContact OE1-CZ 2.8Å; E74-R132 IonicContact OE1-NH1 2.72Å; E74-R132 IonicContact OE1-NH2 3.33Å; E74-R132 PolarHBondContact OE1-NH2 2.89Å; E74-Y133 HydrophobicContact CB-CD1 4.03Å; E74-Y133 HydrophobicContact CB-CE1 3.8Å; E74-Y133 HydrophobicContact CG-CD1 4.18Å; E74-Y133 HydrophobicContact CG-CE1 3.52Å; E74-Y133 PolarHBondContact OE1-OH 2.95Å; E74-R269 IonicContact OE1-CZ 2.8Å; E74-R269 VanDerWaalsContact OE1-CZ 3.23Å; E74-R269 IonicContact OE1-NH1 3.2Å; E74-R269 PolarHBondContact OE1-NH1 2.86Å; E74-R269 IonicContact OE1-NH2 3.7Å; E74-R269 PolarHBondContact OE1-NH2 3.35Å
75A82.2Confident86.7Confident1 Ų132.9 Ų32.91%0.00817%0.172CC..PPolyproline II helixtrans-71.4158.2172.300000111.3Q79 I81 R132 F155A75-Q79 HydrophobicContact CB-CB 4.25Å; A75-I81 HydrophobicContact CB-CD1 4.35Å; A75-I81 HydrophobicContact CB-CG1 3.69Å; A75-R132 HydrophobicContact CB-CB 4.04Å; A75-R132 PolarHBondContact N-O 2.96Å; A75-R132 VanDerWaalsContact O-CZ 3.25Å; A75-R132 PolarHBondContact O-NE 3.17Å; A75-R132 PolarHBondContact O-NH2 3.42Å; A75-F155 HydrophobicContact CB-CB 4.41Å; A75-F155 HydrophobicContact CB-CD1 3.43Å; A75-F155 VanDerWaalsContact CB-CD1 3.43Å; A75-F155 HydrophobicContact CB-CE1 3.72Å; A75-F155 HydrophobicContact CB-CG 3.94Å; A75-F155 HydrophobicContact CB-CZ 4.42Å
76P77.2Confident86.8Confident42 Ų4234.2 Ų34.227%0.27317%0.174SC..PPolyproline II helixtrans-51.3158.2163.5-25.434.3000112.5Q79 F155P76-Q79 VanDerWaalsContact CD-OE1 3.31Å; P76-Q79 VanDerWaalsContact CG-OE1 3.25Å; P76-Q79 PolarHBondContact O-N 2.95Å; P76-F155 HydrophobicContact CG-CD2 4Å; P76-F155 HydrophobicContact CG-CE2 4.33Å
77P73Confident87Confident24 Ų2434.9 Ų34.916%0.15618%0.178CC..THydrogen-bonded Turntrans-65.6147.3-179.5-21.635.1000112.9Q79 L170 W271P77-Q79 VanDerWaalsContact C-N 3.25Å; P77-Q79 PolarHBondContact O-N 3.29Å; P77-L170 HydrophobicContact CB-CD1 4.29Å; P77-L170 HydrophobicContact CG-CD1 3.72Å; P77-W271 HydrophobicContact CB-CD2 4.13Å; P77-W271 HydrophobicContact CB-CE3 3.95Å; P77-W271 HydrophobicContact CB-CH2 3.2Å; P77-W271 HydrophobicContact CB-CZ2 3.36Å; P77-W271 HydrophobicContact CB-CZ3 3.51Å; P77-W271 HydrophobicContact CG-CD2 4.42Å; P77-W271 HydrophobicContact CG-CE3 3.87Å; P77-W271 HydrophobicContact CG-CH2 3.78Å; P77-W271 HydrophobicContact CG-CZ2 4.3Å; P77-W271 HydrophobicContact CG-CZ3 3.52Å
78R73.2Confident87.3Confident29 Ų2937.4 Ų37.411%0.10919%0.19CC..THydrogen-bonded Turntrans61.426.3-172.7-42.3-175.2-162.1-145.915.1114.6D158 F161 L164 A200 W271 E274R78-D158 VanDerWaalsContact O-CB 3.31Å; R78-D158 WeakPolarHBondContact O-CB 3.35Å; R78-D158 PolarHBondContact O-N 2.9Å; R78-F161 HydrophobicContact CB-CB 4.28Å; R78-F161 HydrophobicContact CB-CD1 4.2Å; R78-F161 HydrophobicContact CB-CD2 4.13Å; R78-F161 HydrophobicContact CB-CE1 4.48Å; R78-F161 HydrophobicContact CB-CE2 4.43Å; R78-F161 HydrophobicContact CB-CG 3.97Å; R78-F161 HydrophobicContact CG-CD1 3.8Å; R78-F161 HydrophobicContact CG-CE1 3.86Å; R78-F161 HydrophobicContact CG-CG 4.11Å; R78-F161 HydrophobicContact CG-CZ 4.23Å; R78-L164 VanDerWaalsContact NH1-CD1 3.25Å; R78-A200 VanDerWaalsContact NH2-CB 3.31Å; R78-W271 HydrophobicContact CG-CZ2 4.38Å; R78-E274 IonicContact CZ-OE1 2.72Å; R78-E274 IonicContact NH1-OE1 3.84Å; R78-E274 PolarHBondContact NH1-OE1 3.29Å; R78-E274 IonicContact NH2-OE1 2.67Å; R78-E274 PolarHBondContact NH2-OE1 3.48Å
79Q82.4Confident87.6Confident62 Ų6232.5 Ų32.529%0.2917%0.167SC..EExtended strand (participates in β ladder)trans-125.4143.8173.9-65-179.8-7.800111.1A75 P76 P77 R132 F155 T156A75-Q79 HydrophobicContact CB-CB 4.25Å; P76-Q79 VanDerWaalsContact CD-OE1 3.31Å; P76-Q79 VanDerWaalsContact CG-OE1 3.25Å; P76-Q79 PolarHBondContact O-N 2.95Å; P77-Q79 VanDerWaalsContact C-N 3.25Å; P77-Q79 PolarHBondContact O-N 3.29Å; Q79-R132 WeakPolarHBondContact O-CA 3.04Å; Q79-R132 VanDerWaalsContact O-CB 3.31Å; Q79-R132 WeakPolarHBondContact O-CB 3.15Å; Q79-R132 PolarHBondContact O-N 2.02Å; Q79-F155 HydrophobicContact CB-CB 4.31Å; Q79-F155 VanDerWaalsContact OE1-CB 3.23Å; Q79-T156 CarbonylContact C-O 3.5Å; Q79-T156 WeakPolarHBondContact CA-O 3.48Å; Q79-T156 VanDerWaalsContact CB-O 3.28Å; Q79-T156 WeakPolarHBondContact CB-O 3.4Å
80C90.4Very high88Confident2 Ų233.3 Ų33.31%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-83.3169.7164.6-69.80000110R128 S129 F155 T156C80-R128 HydrophobicContact CB-CG 4.37Å; C80-S129 PolarHBondContact SG-O 2.74Å; C80-F155 WeakPolarHBondContact O-CA 3.46Å; C80-T156 PolarHBondContact N-O 3.17Å; C80-T156 PolarHBondContact O-N 3.06Å
81I92.2Very high88.5Confident0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-111.3125167-56.1156000106.6L73 A75 R128 S129 L134 Y153 N154 F155L73-I81 HydrophobicContact CB-CD1 3.77Å; L73-I81 HydrophobicContact CD1-CG2 4.1Å; A75-I81 HydrophobicContact CB-CD1 4.35Å; A75-I81 HydrophobicContact CB-CG1 3.69Å; I81-R128 WeakPolarHBondContact O-CA 3.5Å; I81-S129 PolarHBondContact N-OG 2.03Å; I81-S129 PolarHBondContact O-N 2.82Å; I81-S129 PolarHBondContact O-OG 3.04Å; I81-L134 HydrophobicContact CB-CD1 4Å; I81-L134 HydrophobicContact CB-CG 4.29Å; I81-L134 HydrophobicContact CD1-CB 4.1Å; I81-L134 HydrophobicContact CD1-CD1 4.48Å; I81-L134 HydrophobicContact CD1-CG 4.02Å; I81-L134 HydrophobicContact CG2-CD1 3.82Å; I81-Y153 HydrophobicContact CG2-CD2 4.38Å; I81-N154 WeakPolarHBondContact CA-O 3.35Å; I81-F155 HydrophobicContact CG1-CD1 4Å; I81-F155 HydrophobicContact CG1-CE1 4.07Å
82D94.4Very high89Confident36 Ų3631.9 Ų31.919%0.19316%0.164CC..EExtended strand (participates in β ladder)trans-102.5122.7166.6-65.1-44.4000107.6R128 Y153 N154 T156D82-R128 VanDerWaalsContact OD1-CB 3.23Å; D82-R128 WeakPolarHBondContact OD1-CB 3.3Å; D82-R128 WeakPolarHBondContact OD1-CD 3.25Å; D82-R128 WeakPolarHBondContact OD1-CG 3.22Å; D82-R128 IonicContact OD1-CZ 3.51Å; D82-R128 IonicContact OD1-NE 2.73Å; D82-R128 IonicContact OD1-NH1 3.23Å; D82-R128 IonicContact OD2-NH1 3.48Å; D82-Y153 VanDerWaalsContact O-CA 3.3Å; D82-Y153 WeakPolarHBondContact O-CA 3.41Å; D82-N154 PolarHBondContact N-O 2.8Å; D82-N154 VanDerWaalsContact N-O 3.14Å; D82-N154 PolarHBondContact O-N 3.24Å; D82-T156 WeakPolarHBondContact OD2-CB 3.31Å; D82-T156 WeakPolarHBondContact OD2-CG2 3.31Å; D82-T156 PolarHBondContact OD2-OG1 3Å
83L95.3Very high89.6Confident2 Ų235.6 Ų35.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-116.9124.3-172.7173.571.2000109.9F54 F85 V104 I127 L134 I136 A151F54-L83 HydrophobicContact CE1-CD1 3.75Å; F54-L83 HydrophobicContact CZ-CD1 3.93Å; L83-F85 HydrophobicContact CD2-CE2 3.76Å; L83-F85 HydrophobicContact CD2-CZ 4.03Å; L83-F85 HydrophobicContact CG-CE2 3.91Å; L83-F85 HydrophobicContact CG-CZ 4.38Å; L83-V104 HydrophobicContact CD2-CG1 4.37Å; L83-I127 HydrophobicContact CB-CB 4.34Å; L83-I127 HydrophobicContact CD2-CB 4.49Å; L83-I127 HydrophobicContact CD2-CD1 4.41Å; L83-I127 PolarHBondContact N-O 3.18Å; L83-I127 PolarHBondContact O-N 3.36Å; L83-L134 HydrophobicContact CB-CD1 4.07Å; L83-L134 HydrophobicContact CD2-CD1 4.14Å; L83-I136 HydrophobicContact CD1-CD1 4.33Å; L83-I136 HydrophobicContact CD2-CD1 3.64Å; L83-A151 HydrophobicContact CD1-CB 4.17Å
84H95.6Very high90Very high82 Ų8236.4 Ų36.438%0.3820%0.197SC..EExtended strand (participates in β ladder)trans-126132.5-176.117470.5000111D126 A151 S152H84-D126 IonicContact CE1-OD1 3.8Å; H84-D126 IonicContact CG-OD1 3.59Å; H84-D126 IonicContact ND1-OD1 2.74Å; H84-D126 PolarHBondContact ND1-OD1 3.45Å; H84-A151 CarbonylContact O-C 3.51Å; H84-A151 WeakPolarHBondContact O-CA 3.39Å; H84-S152 PolarHBondContact N-O 3.12Å; H84-S152 PolarHBondContact O-N 3.02Å; H84-S152 VanDerWaalsContact O-O 3.12Å; H84-S152 PolarHBondContact O-OG 3.45Å
85F95.4Very high90.4Very high1 Ų144.9 Ų44.90%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-102.9133178.2-71-91.7000111L83 Y89 I102 P124 I127 F149 A151L83-F85 HydrophobicContact CD2-CE2 3.76Å; L83-F85 HydrophobicContact CD2-CZ 4.03Å; L83-F85 HydrophobicContact CG-CE2 3.91Å; L83-F85 HydrophobicContact CG-CZ 4.38Å; F85-Y89 HydrophobicContact CD1-CD2 4.41Å; F85-Y89 HydrophobicContact CD1-CE2 4.44Å; F85-I102 HydrophobicContact CE1-CD1 3.68Å; F85-I102 HydrophobicContact CZ-CD1 3.78Å; F85-P124 HydrophobicContact CB-CG 4.48Å; F85-P124 HydrophobicContact CD1-CG 4.35Å; F85-P124 HydrophobicContact CD2-CB 3.71Å; F85-P124 HydrophobicContact CD2-CG 3.61Å; F85-P124 HydrophobicContact CE2-CB 4.01Å; F85-P124 HydrophobicContact CE2-CG 3.83Å; F85-P124 HydrophobicContact CG-CB 4.38Å; F85-P124 HydrophobicContact CG-CG 3.89Å; F85-P124 HydrophobicContact CZ-CG 4.3Å; F85-I127 HydrophobicContact CE2-CD1 4.21Å; F85-F149 HydrophobicContact CD1-CB 4.26Å; F85-F149 HydrophobicContact CD1-CD2 4.21Å; F85-F149 HydrophobicContact CD1-CG 4.46Å; F85-F149 AromaticContact CE1-CD2 3.92Å; F85-F149 HydrophobicContact CE1-CD2 3.92Å; F85-F149 HydrophobicContact CE1-CE2 4.46Å; F85-F149 HydrophobicContact CE1-CG 4.31Å; F85-A151 HydrophobicContact CD1-CB 3.7Å; F85-A151 HydrophobicContact CE1-CB 3.62Å; F85-A151 HydrophobicContact CG-CB 4.37Å; F85-A151 HydrophobicContact CZ-CB 4.25Å
86E94.1Very high90.8Very high75 Ų7550.6 Ų50.635%0.3526%0.255SS..  trans-61.4146175.1-74.1174.6-153.500111.9Y59 N88 S150Y59-E86 PolarHBondContact OH-OE2 2.96Å; E86-N88 PolarHBondContact O-N 2.96Å; E86-S150 PolarHBondContact N-O 2.85Å; E86-S150 VanDerWaalsContact OE1-CB 3.28Å; E86-S150 WeakPolarHBondContact OE1-CB 3.23Å; E86-S150 PolarHBondContact OE1-OG 2.93Å; E86-S150 WeakPolarHBondContact OE2-CB 3.27Å
87D92.9Very high91.6Very high146 Ų14649.3 Ų49.378%0.78125%0.246SC*.SBendtrans-56.5-22.4175.4-64.2-35.8000113.9Y89D87-Y89 PolarHBondContact O-N 3.33Å
88N92.8Very high92.6Very high81 Ų8153.8 Ų53.843%0.43326%0.264SS..  trans-79.260.4174.7-174.558.2000111.1Y59 E86Y59-N88 WeakPolarHBondContact CE2-ND2 3.3Å; Y59-N88 PolarHBondContact OH-ND2 2.92Å; E86-N88 PolarHBondContact O-N 2.96Å
89Y95.8Very high93.6Very high7 Ų757.5 Ų57.53%0.02728%0.281CS..  trans-111.2129.8-177.1178.3-83.6000110.7F85 D87 I91 I102 Y118 C119 G120 H122 P124 F149F85-Y89 HydrophobicContact CD1-CD2 4.41Å; F85-Y89 HydrophobicContact CD1-CE2 4.44Å; D87-Y89 PolarHBondContact O-N 3.33Å; Y89-I91 HydrophobicContact CE1-CB 4.43Å; Y89-I91 HydrophobicContact CE1-CD1 4.47Å; Y89-I91 HydrophobicContact CE1-CG1 4.25Å; Y89-I91 HydrophobicContact CE2-CD1 3.83Å; Y89-I91 HydrophobicContact CE2-CG1 4.21Å; Y89-I91 WeakPolarHBondContact OH-CD1 3.42Å; Y89-I102 HydrophobicContact CE2-CG2 4.4Å; Y89-Y118 WeakPolarHBondContact OH-CB 3.4Å; Y89-C119 PolarHBondContact OH-N 2.76Å; Y89-G120 WeakPolarHBondContact CD1-O 3.08Å; Y89-G120 VanDerWaalsContact CE1-O 3.22Å; Y89-G120 WeakPolarHBondContact CE1-O 3.43Å; Y89-H122 VanDerWaalsContact CD1-C 3.46Å; Y89-H122 WeakPolarHBondContact CD1-O 3.48Å; Y89-H122 WeakPolarHBondContact CE1-O 3.37Å; Y89-P124 HydrophobicContact CE2-CG 4.1Å; Y89-F149 HydrophobicContact CD2-CB 3.62Å; Y89-F149 HydrophobicContact CE2-CB 3.97Å
90S96.4Very high94.3Very high17 Ų1754.5 Ų54.512%0.11927%0.267CS..BIsolated β-bridgetrans-155.498-179.3-176.70000109.9Q121 G146 V147 G148S90-Q121 PolarHBondContact OG-NE2 3.41Å; S90-Q121 PolarHBondContact OG-OE1 3.29Å; S90-G146 CarbonylContact O-C 3.59Å; S90-G146 VanDerWaalsContact O-C 3.32Å; S90-G146 VanDerWaalsContact O-CA 3.25Å; S90-G146 WeakPolarHBondContact O-CA 3.43Å; S90-V147 PolarHBondContact O-N 2.87Å; S90-V147 VanDerWaalsContact O-N 3.13Å; S90-G148 PolarHBondContact N-O 2.97Å; S90-G148 WeakPolarHBondContact O-CA 3.44Å; S90-G148 PolarHBondContact O-N 3.36Å
91I96.7Very high94.5Very high0 Ų055 Ų550%027%0.269CS..  trans-110.1156.2168.8-60.8-175.7000107.4Y89 D100 I102 C119 G120 Q121 F138 F149Y89-I91 HydrophobicContact CE1-CB 4.43Å; Y89-I91 HydrophobicContact CE1-CD1 4.47Å; Y89-I91 HydrophobicContact CE1-CG1 4.25Å; Y89-I91 HydrophobicContact CE2-CD1 3.83Å; Y89-I91 HydrophobicContact CE2-CG1 4.21Å; Y89-I91 WeakPolarHBondContact OH-CD1 3.42Å; I91-D100 HydrophobicContact CG2-CB 3.49Å; I91-D100 VanDerWaalsContact CG2-CB 3.49Å; I91-I102 HydrophobicContact CD1-CB 4.25Å; I91-I102 HydrophobicContact CD1-CG2 3.97Å; I91-C119 HydrophobicContact CG2-CB 4.08Å; I91-G120 PolarHBondContact N-O 3.33Å; I91-G120 CarbonylContact O-C 3.32Å; I91-G120 VanDerWaalsContact O-C 3.32Å; I91-G120 WeakPolarHBondContact O-CA 3.19Å; I91-G120 PolarHBondContact O-N 3.3Å; I91-G120 VanDerWaalsContact O-N 3.13Å; I91-G120 VanDerWaalsContact O-O 3.12Å; I91-Q121 PolarHBondContact O-NE2 3.49Å; I91-F138 HydrophobicContact CD1-CD2 4.15Å; I91-F138 HydrophobicContact CD1-CE2 3.81Å; I91-F138 HydrophobicContact CG1-CE2 4.29Å; I91-F138 HydrophobicContact CG2-CE2 4.42Å; I91-F149 HydrophobicContact CD1-CD1 4.2Å
92E96.9Very high94.7Very high24 Ų2455 Ų5511%0.11227%0.269CS..  trans-52.7146.8172.8-165.8-97.9168.500111.1Y63 S94 F99 D100 C119 G120 L144Y63-E92 PolarHBondContact OH-N 3.36Å; Y63-E92 VanDerWaalsContact OH-N 3.13Å; E92-S94 WeakPolarHBondContact OE2-CB 3.45Å; E92-S94 PolarHBondContact OE2-OG 3.47Å; E92-F99 WeakPolarHBondContact OE2-CB 3.1Å; E92-D100 HydrophobicContact CB-CB 3.84Å; E92-D100 VanDerWaalsContact CB-OD2 3.32Å; E92-D100 WeakPolarHBondContact CB-OD2 3.46Å; E92-C119 VanDerWaalsContact O-CB 3.28Å; E92-C119 WeakPolarHBondContact O-CB 3.4Å; E92-G120 PolarHBondContact O-N 2.97Å; E92-L144 HydrophobicContact CG-CB 3.64Å; E92-L144 HydrophobicContact CG-CD1 4.26Å
93S94.8Very high94.7Very high93 Ų9354.1 Ų54.165%0.6526%0.264SS*.  trans-110.793.8-169.4-170.40000110.6
94S94.5Very high94.8Very high17 Ų1754 Ų5412%0.11926%0.263CS..  trans-118.6154.9-177.1550000113.3E92 E96 C97 K98 F99E92-S94 WeakPolarHBondContact OE2-CB 3.45Å; E92-S94 PolarHBondContact OE2-OG 3.47Å; S94-E96 PolarHBondContact O-N 2.87Å; S94-C97 PolarHBondContact O-N 3.49Å; S94-K98 PolarHBondContact OG-N 2.93Å; S94-K98 VanDerWaalsContact OG-N 3.14Å; S94-F99 VanDerWaalsContact CB-CD2 3.44Å; S94-F99 PolarHBondContact OG-N 2.94Å
95W92.1Very high94.7Very high201 Ų20152 Ų5276%0.76125%0.253SS*.THydrogen-bonded Turntrans-61.5124.9179.7179.2-80.3000110.9C97 K98W95-C97 PolarHBondContact O-N 3.34Å; W95-K98 WeakPolarHBondContact O-CD 3.49Å; W95-K98 VanDerWaalsContact O-CG 3.29Å; W95-K98 WeakPolarHBondContact O-CG 3.49Å
96E90.8Very high94.6Very high121 Ų12153.3 Ų53.357%0.56526%0.259SS*.THydrogen-bonded Turntrans57.218.9-172.7-68.6158.2-159.700114.3S94 K98S94-E96 PolarHBondContact O-N 2.87Å; E96-K98 HydrophobicContact CB-CG 4.36Å; E96-K98 WeakPolarHBondContact OE2-CE 3.35Å; E96-K98 IonicContact OE2-NZ 3.19Å; E96-K98 PolarHBondContact OE2-NZ 3.09Å
97C94.6Very high94.1Very high15 Ų1550.3 Ų50.310%0.10125%0.249CC..SBendtrans51.464-176.4-54.40000111.4S94 W95 N101 R117 Y118 C119S94-C97 PolarHBondContact O-N 3.49Å; W95-C97 PolarHBondContact O-N 3.34Å; C97-N101 HydrophobicContact CB-CB 3.77Å; C97-R117 HydrophobicContact CB-CG 3.93Å; C97-R117 VanDerWaalsContact O-CD 3.25Å; C97-R117 WeakPolarHBondContact O-CD 3.41Å; C97-R117 PolarHBondContact O-NH1 3.25Å; C97-Y118 VanDerWaalsContact SG-C 3.58Å; C97-C119 WeakPolarHBondContact CA-SG 3.34Å; C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.41Å; C97-C119 WeakPolarHBondContact SG-CB 3.22Å; C97-C119 PolarHBondContact SG-N 2.96Å; C97-C119 VanDerWaalsContact SG-N 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.36Å
98K93.1Very high93.5Very high119 Ų11944.1 Ų44.152%0.51722%0.217SC..  trans-94.8-27.1-173-82.8174.7-179.91600114.3S94 W95 E96S94-K98 PolarHBondContact OG-N 2.93Å; S94-K98 VanDerWaalsContact OG-N 3.14Å; W95-K98 WeakPolarHBondContact O-CD 3.49Å; W95-K98 VanDerWaalsContact O-CG 3.29Å; W95-K98 WeakPolarHBondContact O-CG 3.49Å; E96-K98 HydrophobicContact CB-CG 4.36Å; E96-K98 WeakPolarHBondContact OE2-CE 3.35Å; E96-K98 IonicContact OE2-NZ 3.19Å; E96-K98 PolarHBondContact OE2-NZ 3.09Å
99F94Very high92.8Very high106 Ų10642.7 Ų42.747%0.46521%0.207SC..SBendtrans-92.8-117.7171.2-50.7-42.4000107.5E92 S94 N101 D141E92-F99 WeakPolarHBondContact OE2-CB 3.1Å; S94-F99 VanDerWaalsContact CB-CD2 3.44Å; S94-F99 PolarHBondContact OG-N 2.94Å; F99-N101 PolarHBondContact O-N 3.46Å; F99-N101 PolarHBondContact O-ND2 3.33Å; F99-D141 HydrophobicContact CB-CB 4.41Å; F99-D141 WeakPolarHBondContact CD1-OD2 3.31Å
100D96.7Very high92Very high0 Ų044.1 Ų44.10%022%0.223CC..SBendtrans-63.2132.2177.4-55.6-14.7000111.3Y63 I91 E92 C119 V139 T140 D141Y63-D100 WeakPolarHBondContact CE2-OD2 3.02Å; Y63-D100 PolarHBondContact OH-OD2 3.01Å; I91-D100 HydrophobicContact CG2-CB 3.49Å; I91-D100 VanDerWaalsContact CG2-CB 3.49Å; E92-D100 HydrophobicContact CB-CB 3.84Å; E92-D100 VanDerWaalsContact CB-OD2 3.32Å; E92-D100 WeakPolarHBondContact CB-OD2 3.46Å; D100-C119 WeakPolarHBondContact O-CB 3.08Å; D100-V139 VanDerWaalsContact CA-O 3.31Å; D100-V139 WeakPolarHBondContact CA-O 3.29Å; D100-T140 WeakPolarHBondContact OD1-CA 3.37Å; D100-D141 PolarHBondContact OD1-N 3.41Å
101N96.2Very high91.3Very high13 Ų1350.9 Ų50.97%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-159.4150.8-179.369.6103.6000112.5C97 F99 R117 Y118 F138 V139C97-N101 HydrophobicContact CB-CB 3.77Å; F99-N101 PolarHBondContact O-N 3.46Å; F99-N101 PolarHBondContact O-ND2 3.33Å; N101-R117 HydrophobicContact CB-CG 3.79Å; N101-R117 WeakPolarHBondContact OD1-CD 3.23Å; N101-Y118 WeakPolarHBondContact CA-O 3.3Å; N101-F138 WeakPolarHBondContact O-CA 3.43Å; N101-F138 WeakPolarHBondContact O-CD2 3.42Å; N101-V139 PolarHBondContact N-O 2.93Å; N101-V139 PolarHBondContact O-N 2.88Å
102I95.6Very high90.8Very high0 Ų051.4 Ų51.40%025%0.254CS..EExtended strand (participates in β ladder)trans-109.7120.2162.9-170.2171.8000109.8F85 Y89 I91 R117 Y118 I136 K137 F138 F149F85-I102 HydrophobicContact CE1-CD1 3.68Å; F85-I102 HydrophobicContact CZ-CD1 3.78Å; Y89-I102 HydrophobicContact CE2-CG2 4.4Å; I91-I102 HydrophobicContact CD1-CB 4.25Å; I91-I102 HydrophobicContact CD1-CG2 3.97Å; I102-R117 CarbonylContact O-C 3.56Å; I102-R117 WeakPolarHBondContact O-CA 3.49Å; I102-Y118 HydrophobicContact CG2-CD2 4.35Å; I102-Y118 PolarHBondContact N-O 3.29Å; I102-Y118 PolarHBondContact O-N 2.76Å; I102-I136 HydrophobicContact CD1-CG2 3.73Å; I102-I136 HydrophobicContact CG1-CG2 3.83Å; I102-K137 CarbonylContact C-O 3.53Å; I102-K137 WeakPolarHBondContact CA-O 3.4Å; I102-F138 HydrophobicContact CB-CD2 4.37Å; I102-F138 HydrophobicContact CG1-CB 4.43Å; I102-F149 HydrophobicContact CD1-CD1 4.24Å; I102-F149 HydrophobicContact CD1-CD2 4.44Å; I102-F149 HydrophobicContact CD1-CE1 3.87Å; I102-F149 HydrophobicContact CD1-CE2 4.1Å; I102-F149 HydrophobicContact CD1-CZ 3.8Å
103E95.5Very high90.4Very high16 Ų1654.6 Ų54.68%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-105.5129.9177.7-174.6176.4-102.300110R105 T114 R117 I136 K137E103-R105 HydrophobicContact CG-CG 4.42Å; E103-R105 IonicContact OE1-NH2 3.93Å; E103-R105 PolarHBondContact OE1-NH2 2.97Å; E103-R105 IonicContact OE2-CZ 3.76Å; E103-R105 IonicContact OE2-NE 3.15Å; E103-R105 PolarHBondContact OE2-NE 3.37Å; E103-R105 IonicContact OE2-NH2 2.93Å; E103-R105 PolarHBondContact OE2-NH2 2.8Å; E103-T114 HydrophobicContact CG-CG2 4.05Å; E103-R117 HydrophobicContact CB-CG 4.37Å; E103-R117 IonicContact OE1-CZ 2.85Å; E103-R117 IonicContact OE1-NE 3.98Å; E103-R117 PolarHBondContact OE1-NE 2.94Å; E103-R117 IonicContact OE1-NH2 2.68Å; E103-R117 PolarHBondContact OE1-NH2 2.88Å; E103-I136 WeakPolarHBondContact O-CA 3.03Å; E103-K137 PolarHBondContact N-O 3.37Å; E103-K137 PolarHBondContact O-N 2.88Å
104V96.4Very high90.3Very high0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-118.4131-179.2-177.50000109.5L83 L115 G116 Y118 I127 L134 I136L83-V104 HydrophobicContact CD2-CG1 4.37Å; V104-L115 HydrophobicContact CG1-CD1 4.33Å; V104-L115 PolarHBondContact O-N 2.77Å; V104-G116 PolarHBondContact N-O 3.05Å; V104-G116 PolarHBondContact O-N 2.84Å; V104-Y118 HydrophobicContact CB-CE2 4.42Å; V104-Y118 HydrophobicContact CG2-CD2 4.49Å; V104-Y118 HydrophobicContact CG2-CE2 4.15Å; V104-I127 HydrophobicContact CB-CD1 4.1Å; V104-I127 HydrophobicContact CG1-CD1 4.08Å; V104-I127 HydrophobicContact CG1-CG2 4.17Å; V104-I127 HydrophobicContact CG2-CD1 3.91Å; V104-L134 HydrophobicContact CG1-CD2 4.18Å; V104-I136 HydrophobicContact CG1-CG1 4.29Å; V104-I136 HydrophobicContact CG2-CG1 4.4Å; V104-I136 HydrophobicContact CG2-CG2 4.29Å
105R94.2Very high90.4Very high41 Ų4155.9 Ų55.916%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-128.3142.3-176.3-60.2-177.1173.9-96-3.7111.9E103 G107 G110 S112 P113 T114 L134 W135E103-R105 HydrophobicContact CG-CG 4.42Å; E103-R105 IonicContact OE1-NH2 3.93Å; E103-R105 PolarHBondContact OE1-NH2 2.97Å; E103-R105 IonicContact OE2-CZ 3.76Å; E103-R105 IonicContact OE2-NE 3.15Å; E103-R105 PolarHBondContact OE2-NE 3.37Å; E103-R105 IonicContact OE2-NH2 2.93Å; E103-R105 PolarHBondContact OE2-NH2 2.8Å; R105-G107 PolarHBondContact O-N 3.06Å; R105-G110 VanDerWaalsContact CZ-O 3.24Å; R105-G110 PolarHBondContact NE-O 3.42Å; R105-S112 WeakPolarHBondContact CD-O 2.95Å; R105-S112 PolarHBondContact NH1-O 3.48Å; R105-P113 CarbonylContact C-O 3.59Å; R105-P113 VanDerWaalsContact CA-O 3.22Å; R105-P113 WeakPolarHBondContact CA-O 3.08Å; R105-T114 VanDerWaalsContact CZ-OG1 3.25Å; R105-T114 PolarHBondContact NH1-OG1 2.78Å; R105-T114 PolarHBondContact NH2-OG1 2.82Å; R105-L134 WeakPolarHBondContact O-CD2 3.14Å; R105-W135 HydrophobicContact CB-CB 4.36Å; R105-W135 HydrophobicContact CB-CE3 4.14Å; R105-W135 VanDerWaalsContact CD-CE3 3.49Å; R105-W135 HydrophobicContact CG-CE3 3.82Å; R105-W135 HydrophobicContact CG-CZ3 4.15Å; R105-W135 PolarHBondContact N-O 2.77Å; R105-W135 PolarHBondContact O-N 2.85Å
106D91.5Very high90.5Very high27 Ų2747 Ų4714%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-85.2108.1-178.3-168.733.1000111.1S112 P113 L115 S129 S130D106-S112 WeakPolarHBondContact O-CB 3.44Å; D106-S112 PolarHBondContact O-OG 2.83Å; D106-P113 PolarHBondContact N-O 3Å; D106-L115 HydrophobicContact CB-CD1 3.98Å; D106-L115 HydrophobicContact CB-CD2 3.91Å; D106-L115 HydrophobicContact CB-CG 3.85Å; D106-S129 WeakPolarHBondContact OD1-CA 3.35Å; D106-S129 WeakPolarHBondContact OD1-CB 2.97Å; D106-S130 PolarHBondContact OD1-N 3.25Å; D106-S130 WeakPolarHBondContact OD2-CB 3.31Å; D106-S130 PolarHBondContact OD2-OG 2.87Å
107G85.2Confident90.8Very high12 Ų1246.6 Ų46.612%0.12424%0.242CC..SBendtrans107.9179.4-166.800000113.4R105 S112 Y133 L134 W135R105-G107 PolarHBondContact O-N 3.06Å; G107-S112 VanDerWaalsContact CA-OG 3.3Å; G107-S112 WeakPolarHBondContact CA-OG 3.28Å; G107-Y133 WeakPolarHBondContact CA-O 3.19Å; G107-Y133 PolarHBondContact N-O 2.9Å; G107-L134 CarbonylContact O-C 3.59Å; G107-L134 VanDerWaalsContact O-C 3.31Å; G107-W135 VanDerWaalsContact O-CB 3.32Å; G107-W135 WeakPolarHBondContact O-CB 3.45Å; G107-W135 PolarHBondContact O-N 2.68Å
108P79.9Confident90.9Very high17 Ų1748 Ų4811%0.1125%0.245CC..SBendtrans-959.8-162.436.8-36.7000115.5I72 Y133 V244I72-P108 HydrophobicContact CG2-CB 4.32Å; P108-Y133 HydrophobicContact CB-CD1 3.91Å; P108-Y133 HydrophobicContact CB-CD2 4.49Å; P108-Y133 HydrophobicContact CB-CG 3.9Å; P108-Y133 HydrophobicContact CG-CD2 4.37Å; P108-Y133 HydrophobicContact CG-CG 4.25Å; P108-V244 HydrophobicContact CB-CB 3.93Å; P108-V244 HydrophobicContact CB-CG1 3.6Å; P108-V244 HydrophobicContact CB-CG2 4.2Å; P108-V244 HydrophobicContact CG-CG1 3.73Å
109F78.3Confident91Very high51 Ų5143.5 Ų43.522%0.22423%0.229CC..SBendtrans-128.2154-168.3-60.6-63.2000113.9F111 S112 V244 L247F109-F111 HydrophobicContact CB-CD1 3.86Å; F109-F111 HydrophobicContact CB-CD2 4.07Å; F109-F111 HydrophobicContact CB-CE1 3.67Å; F109-F111 HydrophobicContact CB-CE2 3.9Å; F109-F111 HydrophobicContact CB-CG 4.05Å; F109-F111 HydrophobicContact CB-CZ 3.7Å; F109-F111 AromaticContact CD1-CE1 3.92Å; F109-F111 HydrophobicContact CD1-CE1 3.92Å; F109-F111 AromaticContact CD1-CZ 3.83Å; F109-F111 HydrophobicContact CD1-CZ 3.83Å; F109-F111 HydrophobicContact CD2-CD2 4.36Å; F109-F111 HydrophobicContact CD2-CE1 4.14Å; F109-F111 AromaticContact CD2-CE2 3.46Å; F109-F111 HydrophobicContact CD2-CE2 3.46Å; F109-F111 VanDerWaalsContact CD2-CE2 3.46Å; F109-F111 AromaticContact CD2-CZ 3.32Å; F109-F111 HydrophobicContact CD2-CZ 3.32Å; F109-F111 HydrophobicContact CE1-CE1 4.49Å; F109-F111 HydrophobicContact CE1-CZ 4.16Å; F109-F111 HydrophobicContact CE2-CE2 4.02Å; F109-F111 AromaticContact CE2-CZ 3.69Å; F109-F111 HydrophobicContact CE2-CZ 3.69Å; F109-F111 HydrophobicContact CG-CD1 4.38Å; F109-F111 HydrophobicContact CG-CD2 4.49Å; F109-F111 AromaticContact CG-CE1 3.69Å; F109-F111 HydrophobicContact CG-CE1 3.69Å; F109-F111 AromaticContact CG-CE2 3.82Å; F109-F111 HydrophobicContact CG-CE2 3.82Å; F109-F111 AromaticContact CG-CZ 3.37Å; F109-F111 HydrophobicContact CG-CZ 3.37Å; F109-F111 HydrophobicContact CZ-CZ 4.07Å; F109-F111 PolarHBondContact O-N 3.24Å; F109-F111 VanDerWaalsContact O-N 3.08Å; F109-S112 VanDerWaalsContact O-CB 3.24Å; F109-S112 WeakPolarHBondContact O-CB 3.45Å; F109-S112 PolarHBondContact O-N 2.68Å; F109-V244 HydrophobicContact CE1-CG1 4.28Å; F109-V244 HydrophobicContact CZ-CG1 4.45Å; F109-L247 HydrophobicContact CE1-CB 4.09Å; F109-L247 HydrophobicContact CE1-CD2 4.3Å; F109-L247 HydrophobicContact CE1-CG 4.34Å; F109-L247 HydrophobicContact CE2-CD2 4.31Å; F109-L247 HydrophobicContact CZ-CB 4.09Å; F109-L247 HydrophobicContact CZ-CD2 3.57Å; F109-L247 HydrophobicContact CZ-CG 3.82Å
110G78.9Confident91.1Very high36 Ų3638.6 Ų38.637%0.37121%0.208SC..THydrogen-bonded Turntrans-65.5-7.4170.200000115.3R105 W135R105-G110 VanDerWaalsContact CZ-O 3.24Å; R105-G110 PolarHBondContact NE-O 3.42Å; G110-W135 VanDerWaalsContact CA-CE2 3.42Å
111F80.3Confident91Very high159 Ų15944 Ų4470%0.69723%0.233SC*.THydrogen-bonded Turntrans-108.25171.259.8-100.7000113.4F109F109-F111 HydrophobicContact CB-CD1 3.86Å; F109-F111 HydrophobicContact CB-CD2 4.07Å; F109-F111 HydrophobicContact CB-CE1 3.67Å; F109-F111 HydrophobicContact CB-CE2 3.9Å; F109-F111 HydrophobicContact CB-CG 4.05Å; F109-F111 HydrophobicContact CB-CZ 3.7Å; F109-F111 AromaticContact CD1-CE1 3.92Å; F109-F111 HydrophobicContact CD1-CE1 3.92Å; F109-F111 AromaticContact CD1-CZ 3.83Å; F109-F111 HydrophobicContact CD1-CZ 3.83Å; F109-F111 HydrophobicContact CD2-CD2 4.36Å; F109-F111 HydrophobicContact CD2-CE1 4.14Å; F109-F111 AromaticContact CD2-CE2 3.46Å; F109-F111 HydrophobicContact CD2-CE2 3.46Å; F109-F111 VanDerWaalsContact CD2-CE2 3.46Å; F109-F111 AromaticContact CD2-CZ 3.32Å; F109-F111 HydrophobicContact CD2-CZ 3.32Å; F109-F111 HydrophobicContact CE1-CE1 4.49Å; F109-F111 HydrophobicContact CE1-CZ 4.16Å; F109-F111 HydrophobicContact CE2-CE2 4.02Å; F109-F111 AromaticContact CE2-CZ 3.69Å; F109-F111 HydrophobicContact CE2-CZ 3.69Å; F109-F111 HydrophobicContact CG-CD1 4.38Å; F109-F111 HydrophobicContact CG-CD2 4.49Å; F109-F111 AromaticContact CG-CE1 3.69Å; F109-F111 HydrophobicContact CG-CE1 3.69Å; F109-F111 AromaticContact CG-CE2 3.82Å; F109-F111 HydrophobicContact CG-CE2 3.82Å; F109-F111 AromaticContact CG-CZ 3.37Å; F109-F111 HydrophobicContact CG-CZ 3.37Å; F109-F111 HydrophobicContact CZ-CZ 4.07Å; F109-F111 PolarHBondContact O-N 3.24Å; F109-F111 VanDerWaalsContact O-N 3.08Å
112S86.5Confident90.9Very high11 Ų1151 Ų518%0.07727%0.265CS..SBendtrans-61.5154.9170.2-950000111.5R105 D106 G107 F109 T114R105-S112 WeakPolarHBondContact CD-O 2.95Å; R105-S112 PolarHBondContact NH1-O 3.48Å; D106-S112 WeakPolarHBondContact O-CB 3.44Å; D106-S112 PolarHBondContact O-OG 2.83Å; G107-S112 VanDerWaalsContact CA-OG 3.3Å; G107-S112 WeakPolarHBondContact CA-OG 3.28Å; F109-S112 VanDerWaalsContact O-CB 3.24Å; F109-S112 WeakPolarHBondContact O-CB 3.45Å; F109-S112 PolarHBondContact O-N 2.68Å; S112-T114 PolarHBondContact O-N 2.92Å
113P89.7Confident90.8Very high92 Ų9252.8 Ų52.860%0.59728%0.278SS*.PPolyproline II helixtrans-51.2129.7173.6-27.335.4000112.3R105 D106 L115R105-P113 CarbonylContact C-O 3.59Å; R105-P113 VanDerWaalsContact CA-O 3.22Å; R105-P113 WeakPolarHBondContact CA-O 3.08Å; D106-P113 PolarHBondContact N-O 3Å; P113-L115 PolarHBondContact O-N 2.64Å
114T93.1Very high90.8Very high68 Ų6852.4 Ų52.442%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-74.5123.9177.6-530000110.2E103 R105 S112 G116E103-T114 HydrophobicContact CG-CG2 4.05Å; R105-T114 VanDerWaalsContact CZ-OG1 3.25Å; R105-T114 PolarHBondContact NH1-OG1 2.78Å; R105-T114 PolarHBondContact NH2-OG1 2.82Å; S112-T114 PolarHBondContact O-N 2.92Å; T114-G116 WeakPolarHBondContact CG2-O 3.41Å
115L95.5Very high90.7Very high69 Ų6956.7 Ų56.736%0.36131%0.305SS..EExtended strand (participates in β ladder)trans-80.4-37.6169.9-66.8177.4000110.7V104 D106 P113 I127 L134V104-L115 HydrophobicContact CG1-CD1 4.33Å; V104-L115 PolarHBondContact O-N 2.77Å; D106-L115 HydrophobicContact CB-CD1 3.98Å; D106-L115 HydrophobicContact CB-CD2 3.91Å; D106-L115 HydrophobicContact CB-CG 3.85Å; P113-L115 PolarHBondContact O-N 2.64Å; L115-I127 HydrophobicContact CB-CG2 4.24Å; L115-I127 HydrophobicContact CD1-CG2 3.52Å; L115-I127 HydrophobicContact CG-CG2 4.49Å; L115-L134 HydrophobicContact CD1-CD2 3.77Å
116G94.6Very high90.8Very high15 Ų1560.6 Ų60.616%0.15533%0.328CS..EExtended strand (participates in β ladder)trans-176.7173.1170.700000113.3V104 T114V104-G116 PolarHBondContact N-O 3.05Å; V104-G116 PolarHBondContact O-N 2.84Å; T114-G116 WeakPolarHBondContact CG2-O 3.41Å
117R96Very high91Very high111 Ų11159.9 Ų59.942%0.41933%0.325SS..EExtended strand (participates in β ladder)trans-132.9132.9168.4-174.5-174.5-65.3-172.5-1.9108C97 N101 I102 E103C97-R117 HydrophobicContact CB-CG 3.93Å; C97-R117 VanDerWaalsContact O-CD 3.25Å; C97-R117 WeakPolarHBondContact O-CD 3.41Å; C97-R117 PolarHBondContact O-NH1 3.25Å; N101-R117 HydrophobicContact CB-CG 3.79Å; N101-R117 WeakPolarHBondContact OD1-CD 3.23Å; I102-R117 CarbonylContact O-C 3.56Å; I102-R117 WeakPolarHBondContact O-CA 3.49Å; E103-R117 HydrophobicContact CB-CG 4.37Å; E103-R117 IonicContact OE1-CZ 2.85Å; E103-R117 IonicContact OE1-NE 3.98Å; E103-R117 PolarHBondContact OE1-NE 2.94Å; E103-R117 IonicContact OE1-NH2 2.68Å; E103-R117 PolarHBondContact OE1-NH2 2.88Å
118Y96.8Very high91.4Very high45 Ų4564.6 Ų64.618%0.17634%0.339CS..EExtended strand (participates in β ladder)trans-134.1148.8-167.4-45.5-88.4000111Y89 C97 N101 I102 V104 P124 I127Y89-Y118 WeakPolarHBondContact OH-CB 3.4Å; C97-Y118 VanDerWaalsContact SG-C 3.58Å; N101-Y118 WeakPolarHBondContact CA-O 3.3Å; I102-Y118 HydrophobicContact CG2-CD2 4.35Å; I102-Y118 PolarHBondContact N-O 3.29Å; I102-Y118 PolarHBondContact O-N 2.76Å; V104-Y118 HydrophobicContact CB-CE2 4.42Å; V104-Y118 HydrophobicContact CG2-CD2 4.49Å; V104-Y118 HydrophobicContact CG2-CE2 4.15Å; Y118-P124 HydrophobicContact CD1-CB 3.79Å; Y118-P124 HydrophobicContact CD1-CG 4.04Å; Y118-P124 HydrophobicContact CD2-CB 4.1Å; Y118-P124 HydrophobicContact CD2-CG 3.96Å; Y118-P124 HydrophobicContact CE1-CB 3.96Å; Y118-P124 HydrophobicContact CE2-CB 4.27Å; Y118-P124 HydrophobicContact CG-CB 3.86Å; Y118-P124 HydrophobicContact CG-CG 3.66Å; Y118-I127 HydrophobicContact CE2-CD1 3.63Å; Y118-I127 WeakPolarHBondContact OH-CD1 3.07Å
119C96.3Very high92Very high25 Ų2564 Ų6417%0.16933%0.334CS..  trans-164179-178.665.70000109.1Y89 I91 E92 C97 D100Y89-C119 PolarHBondContact OH-N 2.76Å; I91-C119 HydrophobicContact CG2-CB 4.08Å; E92-C119 VanDerWaalsContact O-CB 3.28Å; E92-C119 WeakPolarHBondContact O-CB 3.4Å; C97-C119 WeakPolarHBondContact CA-SG 3.34Å; C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.41Å; C97-C119 WeakPolarHBondContact SG-CB 3.22Å; C97-C119 PolarHBondContact SG-N 2.96Å; C97-C119 VanDerWaalsContact SG-N 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.36Å; D100-C119 WeakPolarHBondContact O-CB 3.08Å
120G95.6Very high92.5Very high3 Ų364.3 Ų64.33%0.03134%0.343CS..SBendtrans81.5-158.7-178.800000115.3Y89 I91 E92Y89-G120 WeakPolarHBondContact CD1-O 3.08Å; Y89-G120 VanDerWaalsContact CE1-O 3.22Å; Y89-G120 WeakPolarHBondContact CE1-O 3.43Å; I91-G120 PolarHBondContact N-O 3.33Å; I91-G120 CarbonylContact O-C 3.32Å; I91-G120 VanDerWaalsContact O-C 3.32Å; I91-G120 WeakPolarHBondContact O-CA 3.19Å; I91-G120 PolarHBondContact O-N 3.3Å; I91-G120 VanDerWaalsContact O-N 3.13Å; I91-G120 VanDerWaalsContact O-O 3.12Å; E92-G120 PolarHBondContact O-N 2.97Å
121Q94.5Very high92.9Very high112 Ų11263.3 Ų63.352%0.52333%0.333SS..SBendtrans-107.218.3-166.7-52.2-61.7-67.500114S90 I91S90-Q121 PolarHBondContact OG-NE2 3.41Å; S90-Q121 PolarHBondContact OG-OE1 3.29Å; I91-Q121 PolarHBondContact O-NE2 3.49Å
122H93.6Very high93.1Very high160 Ų16057 Ų5774%0.74131%0.305SS*.SBendtrans-126.1130.5175.4-64.8-48.7000108.6Y89Y89-H122 VanDerWaalsContact CD1-C 3.46Å; Y89-H122 WeakPolarHBondContact CD1-O 3.48Å; Y89-H122 WeakPolarHBondContact CE1-O 3.37Å
123S93.8Very high93.1Very high39 Ų3957.5 Ų57.527%0.27331%0.305SS..PPolyproline II helixtrans-58.4145.7175.635.90000111.1
124P95.4Very high93.2Very high8 Ų853.1 Ų53.15%0.05228%0.277CS..PPolyproline II helixtrans-55.2148.5167.2-23.832.5000111.3F85 Y89 Y118 I127F85-P124 HydrophobicContact CB-CG 4.48Å; F85-P124 HydrophobicContact CD1-CG 4.35Å; F85-P124 HydrophobicContact CD2-CB 3.71Å; F85-P124 HydrophobicContact CD2-CG 3.61Å; F85-P124 HydrophobicContact CE2-CB 4.01Å; F85-P124 HydrophobicContact CE2-CG 3.83Å; F85-P124 HydrophobicContact CG-CB 4.38Å; F85-P124 HydrophobicContact CG-CG 3.89Å; F85-P124 HydrophobicContact CZ-CG 4.3Å; Y89-P124 HydrophobicContact CE2-CG 4.1Å; Y118-P124 HydrophobicContact CD1-CB 3.79Å; Y118-P124 HydrophobicContact CD1-CG 4.04Å; Y118-P124 HydrophobicContact CD2-CB 4.1Å; Y118-P124 HydrophobicContact CD2-CG 3.96Å; Y118-P124 HydrophobicContact CE1-CB 3.96Å; Y118-P124 HydrophobicContact CE2-CB 4.27Å; Y118-P124 HydrophobicContact CG-CB 3.86Å; Y118-P124 HydrophobicContact CG-CG 3.66Å; P124-I127 HydrophobicContact CB-CD1 4.43Å
125P95.2Very high93Very high89 Ų8951.2 Ų51.258%0.57826%0.262SS*.PPolyproline II helixtrans-62.7159.4166.931.3-36.2000110.3I127P125-I127 WeakPolarHBondContact O-CG1 3.25Å; P125-I127 PolarHBondContact O-N 2.88Å
126D95.4Very high92.9Very high123 Ų12347.9 Ų47.966%0.65825%0.245SC*.PPolyproline II helixtrans-54.6127.4177.1-62.8-34.5000111.4H84H84-D126 IonicContact CE1-OD1 3.8Å; H84-D126 IonicContact CG-OD1 3.59Å; H84-D126 IonicContact ND1-OD1 2.74Å; H84-D126 PolarHBondContact ND1-OD1 3.45Å
127I96.3Very high92.8Very high12 Ų1249.4 Ų49.46%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-110.1120.5-173.8-49.3-176.2000109.8L83 F85 V104 L115 Y118 P124 P125L83-I127 HydrophobicContact CB-CB 4.34Å; L83-I127 HydrophobicContact CD2-CB 4.49Å; L83-I127 HydrophobicContact CD2-CD1 4.41Å; L83-I127 PolarHBondContact N-O 3.18Å; L83-I127 PolarHBondContact O-N 3.36Å; F85-I127 HydrophobicContact CE2-CD1 4.21Å; V104-I127 HydrophobicContact CB-CD1 4.1Å; V104-I127 HydrophobicContact CG1-CD1 4.08Å; V104-I127 HydrophobicContact CG1-CG2 4.17Å; V104-I127 HydrophobicContact CG2-CD1 3.91Å; L115-I127 HydrophobicContact CB-CG2 4.24Å; L115-I127 HydrophobicContact CD1-CG2 3.52Å; L115-I127 HydrophobicContact CG-CG2 4.49Å; Y118-I127 HydrophobicContact CE2-CD1 3.63Å; Y118-I127 WeakPolarHBondContact OH-CD1 3.07Å; P124-I127 HydrophobicContact CB-CD1 4.43Å; P125-I127 WeakPolarHBondContact O-CG1 3.25Å; P125-I127 PolarHBondContact O-N 2.88Å
128R93.8Very high92.6Very high112 Ų11244.1 Ų44.142%0.42323%0.227SC..EExtended strand (participates in β ladder)trans-106.5132.1172.6-179.1164.4-172.41402.2111.4C80 I81 D82 T156 A157C80-R128 HydrophobicContact CB-CG 4.37Å; I81-R128 WeakPolarHBondContact O-CA 3.5Å; D82-R128 VanDerWaalsContact OD1-CB 3.23Å; D82-R128 WeakPolarHBondContact OD1-CB 3.3Å; D82-R128 WeakPolarHBondContact OD1-CD 3.25Å; D82-R128 WeakPolarHBondContact OD1-CG 3.22Å; D82-R128 IonicContact OD1-CZ 3.51Å; D82-R128 IonicContact OD1-NE 2.73Å; D82-R128 IonicContact OD1-NH1 3.23Å; D82-R128 IonicContact OD2-NH1 3.48Å; R128-T156 PolarHBondContact NH1-OG1 3Å; R128-T156 PolarHBondContact NH2-OG1 2.82Å; R128-A157 PolarHBondContact NH2-O 2.86Å
129S93.5Very high92.5Very high3 Ų343.8 Ų43.82%0.02123%0.23CC..  trans-80.2152.1173.564.50000113C80 I81 D106 G131C80-S129 PolarHBondContact SG-O 2.74Å; I81-S129 PolarHBondContact N-OG 2.03Å; I81-S129 PolarHBondContact O-N 2.82Å; I81-S129 PolarHBondContact O-OG 3.04Å; D106-S129 WeakPolarHBondContact OD1-CA 3.35Å; D106-S129 WeakPolarHBondContact OD1-CB 2.97Å; S129-G131 VanDerWaalsContact CB-O 3.28Å; S129-G131 WeakPolarHBondContact CB-O 3.32Å; S129-G131 PolarHBondContact O-N 2.78Å; S129-G131 PolarHBondContact OG-O 2.74Å
130S88.8Confident92.4Very high58 Ų5842.9 Ų42.941%0.40622%0.223SC..SBendtrans-85.622.1174.585.20000113.4D106 K231D106-S130 PolarHBondContact OD1-N 3.25Å; D106-S130 WeakPolarHBondContact OD2-CB 3.31Å; D106-S130 PolarHBondContact OD2-OG 2.87Å; S130-K231 PolarHBondContact O-NZ 3.31Å; S130-K231 PolarHBondContact OG-NZ 3.24Å
131G85.7Confident92.3Very high16 Ų1645.2 Ų45.217%0.16524%0.235CC..SBendtrans164.8-172.5178.200000112S129 Y133S129-G131 VanDerWaalsContact CB-O 3.28Å; S129-G131 WeakPolarHBondContact CB-O 3.32Å; S129-G131 PolarHBondContact O-N 2.78Å; S129-G131 PolarHBondContact OG-O 2.74Å; G131-Y133 PolarHBondContact O-N 3.28Å
132R85Confident92.1Very high27 Ų2741.8 Ų41.810%0.10223%0.23CC..SBendtrans-72.417.7-164.470.2-178.8-64.6-119.5-19.2118.9E74 A75 Q79 R269E74-R132 IonicContact OE1-CZ 2.8Å; E74-R132 IonicContact OE1-NH1 2.72Å; E74-R132 IonicContact OE1-NH2 3.33Å; E74-R132 PolarHBondContact OE1-NH2 2.89Å; A75-R132 HydrophobicContact CB-CB 4.04Å; A75-R132 PolarHBondContact N-O 2.96Å; A75-R132 VanDerWaalsContact O-CZ 3.25Å; A75-R132 PolarHBondContact O-NE 3.17Å; A75-R132 PolarHBondContact O-NH2 3.42Å; Q79-R132 WeakPolarHBondContact O-CA 3.04Å; Q79-R132 VanDerWaalsContact O-CB 3.31Å; Q79-R132 WeakPolarHBondContact O-CB 3.15Å; Q79-R132 PolarHBondContact O-N 2.02Å; R132-R269 VanDerWaalsContact NH1-NH2 3.11Å
133Y87.6Confident91.9Very high21 Ų2140.8 Ų40.88%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-142.6138.9-177.4-65-74.3000113L73 E74 G107 P108 G131 V244 R269L73-Y133 WeakPolarHBondContact O-CA 3.24Å; E74-Y133 HydrophobicContact CB-CD1 4.03Å; E74-Y133 HydrophobicContact CB-CE1 3.8Å; E74-Y133 HydrophobicContact CG-CD1 4.18Å; E74-Y133 HydrophobicContact CG-CE1 3.52Å; E74-Y133 PolarHBondContact OE1-OH 2.95Å; G107-Y133 WeakPolarHBondContact CA-O 3.19Å; G107-Y133 PolarHBondContact N-O 2.9Å; P108-Y133 HydrophobicContact CB-CD1 3.91Å; P108-Y133 HydrophobicContact CB-CD2 4.49Å; P108-Y133 HydrophobicContact CB-CG 3.9Å; P108-Y133 HydrophobicContact CG-CD2 4.37Å; P108-Y133 HydrophobicContact CG-CG 4.25Å; G131-Y133 PolarHBondContact O-N 3.28Å; Y133-V244 HydrophobicContact CD1-CG2 4.43Å; Y133-V244 HydrophobicContact CE1-CG2 3.83Å; Y133-R269 PolarHBondContact OH-NH1 2.89Å
134L91.1Very high91.8Very high0 Ų044.5 Ų44.50%024%0.242CC..EExtended strand (participates in β ladder)trans-127.3141.7163.4-75.6176.9000109.6I72 L73 I81 L83 V104 R105 G107 L115 I136I72-L134 WeakPolarHBondContact CA-O 3.33Å; L73-L134 HydrophobicContact CB-CB 4.39Å; L73-L134 HydrophobicContact CD1-CB 4.5Å; L73-L134 PolarHBondContact N-O 3.34Å; L73-L134 PolarHBondContact O-N 3.01Å; I81-L134 HydrophobicContact CB-CD1 4Å; I81-L134 HydrophobicContact CB-CG 4.29Å; I81-L134 HydrophobicContact CD1-CB 4.1Å; I81-L134 HydrophobicContact CD1-CD1 4.48Å; I81-L134 HydrophobicContact CD1-CG 4.02Å; I81-L134 HydrophobicContact CG2-CD1 3.82Å; L83-L134 HydrophobicContact CB-CD1 4.07Å; L83-L134 HydrophobicContact CD2-CD1 4.14Å; V104-L134 HydrophobicContact CG1-CD2 4.18Å; R105-L134 WeakPolarHBondContact O-CD2 3.14Å; G107-L134 CarbonylContact O-C 3.59Å; G107-L134 VanDerWaalsContact O-C 3.31Å; L115-L134 HydrophobicContact CD1-CD2 3.77Å; L134-I136 HydrophobicContact CB-CG1 4.4Å
135W89.1Confident91.7Very high27 Ų2746.7 Ų46.710%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-115.1127.3169.7-178.6102.2000108.1V70 I72 R105 G107 G110 K137V70-W135 HydrophobicContact CG1-CZ2 4.17Å; V70-W135 HydrophobicContact CG2-CZ2 4.37Å; I72-W135 HydrophobicContact CG1-CG 4.34Å; R105-W135 HydrophobicContact CB-CB 4.36Å; R105-W135 HydrophobicContact CB-CE3 4.14Å; R105-W135 VanDerWaalsContact CD-CE3 3.49Å; R105-W135 HydrophobicContact CG-CE3 3.82Å; R105-W135 HydrophobicContact CG-CZ3 4.15Å; R105-W135 PolarHBondContact N-O 2.77Å; R105-W135 PolarHBondContact O-N 2.85Å; G107-W135 VanDerWaalsContact O-CB 3.32Å; G107-W135 WeakPolarHBondContact O-CB 3.45Å; G107-W135 PolarHBondContact O-N 2.68Å; G110-W135 VanDerWaalsContact CA-CE2 3.42Å; W135-K137 HydrophobicContact CE3-CB 4.14Å; W135-K137 HydrophobicContact CH2-CB 3.37Å; W135-K137 HydrophobicContact CH2-CD 3.48Å; W135-K137 VanDerWaalsContact CH2-CD 3.48Å; W135-K137 HydrophobicContact CH2-CG 4.04Å; W135-K137 HydrophobicContact CZ2-CB 4.02Å; W135-K137 HydrophobicContact CZ2-CD 4.11Å; W135-K137 HydrophobicContact CZ3-CB 3.41Å; W135-K137 VanDerWaalsContact CZ3-CB 3.41Å; W135-K137 HydrophobicContact CZ3-CD 4.27Å; W135-K137 HydrophobicContact CZ3-CG 4.46Å
136I92.6Very high91.6Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-131.5123.6-170.6-55.8173.9000107.6F54 V70 Y71 L73 L83 I102 E103 V104 L134F54-I136 HydrophobicContact CE1-CD1 4.29Å; F54-I136 HydrophobicContact CE2-CD1 4.4Å; F54-I136 HydrophobicContact CE2-CG2 4.44Å; F54-I136 HydrophobicContact CZ-CD1 3.61Å; V70-I136 CarbonylContact C-O 3.59Å; V70-I136 WeakPolarHBondContact CA-O 3.36Å; Y71-I136 HydrophobicContact CD2-CG2 4.4Å; Y71-I136 PolarHBondContact N-O 2.86Å; Y71-I136 PolarHBondContact O-N 3.23Å; L73-I136 HydrophobicContact CD1-CD1 3.91Å; L73-I136 HydrophobicContact CG-CD1 4.41Å; L83-I136 HydrophobicContact CD1-CD1 4.33Å; L83-I136 HydrophobicContact CD2-CD1 3.64Å; I102-I136 HydrophobicContact CD1-CG2 3.73Å; I102-I136 HydrophobicContact CG1-CG2 3.83Å; E103-I136 WeakPolarHBondContact O-CA 3.03Å; V104-I136 HydrophobicContact CG1-CG1 4.29Å; V104-I136 HydrophobicContact CG2-CG1 4.4Å; V104-I136 HydrophobicContact CG2-CG2 4.29Å; L134-I136 HydrophobicContact CB-CG1 4.4Å
137K91.9Very high91.5Very high46 Ų4639.1 Ų39.120%0.221%0.209CC..EExtended strand (participates in β ladder)trans-123.1121.7178.6172.6170.9172.2154.40110.2E68 C69 V70 I102 E103 W135 V139E68-K137 VanDerWaalsContact OE1-CE 3.31Å; E68-K137 WeakPolarHBondContact OE1-CE 3.07Å; E68-K137 IonicContact OE1-NZ 3.47Å; E68-K137 PolarHBondContact OE1-NZ 2.77Å; E68-K137 VanDerWaalsContact OE2-CE 3.24Å; E68-K137 WeakPolarHBondContact OE2-CE 3.32Å; E68-K137 IonicContact OE2-NZ 2.64Å; E68-K137 PolarHBondContact OE2-NZ 2.04Å; C69-K137 CarbonylContact O-C 3.54Å; C69-K137 WeakPolarHBondContact O-CA 3.41Å; V70-K137 HydrophobicContact CG2-CB 4.33Å; V70-K137 HydrophobicContact CG2-CD 4.38Å; V70-K137 HydrophobicContact CG2-CG 4.22Å; I102-K137 CarbonylContact C-O 3.53Å; I102-K137 WeakPolarHBondContact CA-O 3.4Å; E103-K137 PolarHBondContact N-O 3.37Å; E103-K137 PolarHBondContact O-N 2.88Å; W135-K137 HydrophobicContact CE3-CB 4.14Å; W135-K137 HydrophobicContact CH2-CB 3.37Å; W135-K137 HydrophobicContact CH2-CD 3.48Å; W135-K137 VanDerWaalsContact CH2-CD 3.48Å; W135-K137 HydrophobicContact CH2-CG 4.04Å; W135-K137 HydrophobicContact CZ2-CB 4.02Å; W135-K137 HydrophobicContact CZ2-CD 4.11Å; W135-K137 HydrophobicContact CZ3-CB 3.41Å; W135-K137 VanDerWaalsContact CZ3-CB 3.41Å; W135-K137 HydrophobicContact CZ3-CD 4.27Å; W135-K137 HydrophobicContact CZ3-CG 4.46Å; K137-V139 HydrophobicContact CD-CG2 4.1Å; K137-V139 HydrophobicContact CG-CG2 3.85Å
138F93.8Very high91.4Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-102.7132.1168.4173.8-126.4000108.8Y63 E68 C69 I91 N101 I102 T140 F149Y63-F138 HydrophobicContact CD1-CE1 4.43Å; Y63-F138 AromaticContact CD1-CZ 3.77Å; Y63-F138 HydrophobicContact CD1-CZ 3.77Å; Y63-F138 HydrophobicContact CD2-CZ 4.04Å; Y63-F138 AromaticContact CE1-CZ 3.96Å; Y63-F138 HydrophobicContact CE1-CZ 3.96Å; Y63-F138 HydrophobicContact CE2-CZ 4.21Å; Y63-F138 HydrophobicContact CG-CE1 4.18Å; Y63-F138 AromaticContact CG-CZ 3.78Å; Y63-F138 HydrophobicContact CG-CZ 3.78Å; E68-F138 WeakPolarHBondContact CA-O 3.21Å; C69-F138 HydrophobicContact CB-CB 4.24Å; C69-F138 HydrophobicContact CB-CD1 4.43Å; C69-F138 PolarHBondContact N-O 3.24Å; C69-F138 PolarHBondContact O-N 3.2Å; I91-F138 HydrophobicContact CD1-CD2 4.15Å; I91-F138 HydrophobicContact CD1-CE2 3.81Å; I91-F138 HydrophobicContact CG1-CE2 4.29Å; I91-F138 HydrophobicContact CG2-CE2 4.42Å; N101-F138 WeakPolarHBondContact O-CA 3.43Å; N101-F138 WeakPolarHBondContact O-CD2 3.42Å; I102-F138 HydrophobicContact CB-CD2 4.37Å; I102-F138 HydrophobicContact CG1-CB 4.43Å; F138-T140 HydrophobicContact CD1-CG2 4.39Å; F138-T140 HydrophobicContact CE1-CG2 3.56Å; F138-T140 HydrophobicContact CE2-CG2 3.77Å; F138-T140 HydrophobicContact CZ-CG2 3.2Å; F138-F149 HydrophobicContact CB-CE1 3.98Å; F138-F149 HydrophobicContact CB-CZ 4.35Å; F138-F149 AromaticContact CD1-CE1 3.87Å; F138-F149 HydrophobicContact CD1-CE1 3.87Å; F138-F149 AromaticContact CD2-CE1 3.97Å; F138-F149 HydrophobicContact CD2-CE1 3.97Å; F138-F149 HydrophobicContact CE1-CE1 4.31Å; F138-F149 HydrophobicContact CE2-CE1 4.42Å; F138-F149 AromaticContact CG-CE1 3.68Å; F138-F149 HydrophobicContact CG-CE1 3.68Å; F138-F149 HydrophobicContact CG-CZ 4.46Å
139V93.3Very high91.4Very high39 Ų3933.2 Ų33.224%0.23619%0.186CC..EExtended strand (participates in β ladder)trans-127.4141.1176.7-176.90000108.7T67 D100 N101 K137T67-V139 CarbonylContact O-C 3.59Å; T67-V139 WeakPolarHBondContact O-CA 3.47Å; D100-V139 VanDerWaalsContact CA-O 3.31Å; D100-V139 WeakPolarHBondContact CA-O 3.29Å; N101-V139 PolarHBondContact N-O 2.93Å; N101-V139 PolarHBondContact O-N 2.88Å; K137-V139 HydrophobicContact CD-CG2 4.1Å; K137-V139 HydrophobicContact CG-CG2 3.85Å
140T94.3Very high91.3Very high6 Ų633.1 Ų33.14%0.03719%0.186CC..  trans-125.6146.8170.867.30000111.8Y63 P64 N66 T67 D100 F138Y63-T140 HydrophobicContact CD2-CG2 3.36Å; Y63-T140 HydrophobicContact CE2-CG2 3.43Å; Y63-T140 VanDerWaalsContact CE2-CG2 3.43Å; Y63-T140 HydrophobicContact CG-CG2 4.17Å; P64-T140 PolarHBondContact O-OG1 2.81Å; N66-T140 WeakPolarHBondContact CA-O 3.44Å; N66-T140 PolarHBondContact N-O 2.86Å; N66-T140 PolarHBondContact N-OG1 2.81Å; T67-T140 WeakPolarHBondContact CB-OG1 3.42Å; T67-T140 PolarHBondContact N-O 3.49Å; T67-T140 PolarHBondContact N-OG1 3.03Å; T67-T140 PolarHBondContact O-N 3.28Å; T67-T140 PolarHBondContact O-OG1 3.01Å; D100-T140 WeakPolarHBondContact OD1-CA 3.37Å; F138-T140 HydrophobicContact CD1-CG2 4.39Å; F138-T140 HydrophobicContact CE1-CG2 3.56Å; F138-T140 HydrophobicContact CE2-CG2 3.77Å; F138-T140 HydrophobicContact CZ-CG2 3.2Å
141D92.9Very high91.5Very high52 Ų5230.4 Ų30.428%0.27817%0.167SC..  trans-96.9-159.5178.2103.7-8.8000112.2P65 N66 F99 D100 E143P65-D141 CarbonylContact C-O 3.51Å; P65-D141 VanDerWaalsContact CA-O 3.24Å; P65-D141 WeakPolarHBondContact CA-O 3.48Å; P65-D141 WeakPolarHBondContact CB-O 3.25Å; N66-D141 PolarHBondContact N-O 3.08Å; F99-D141 HydrophobicContact CB-CB 4.41Å; F99-D141 WeakPolarHBondContact CD1-OD2 3.31Å; D100-D141 PolarHBondContact OD1-N 3.41Å; D141-E143 PolarHBondContact OD1-N 3.23Å
142G91.6Very high91.8Very high40 Ų4031.8 Ų31.841%0.41217%0.174SC..SBendtrans-77.2-16.5-176.400000116.8
143E89.8Confident92.1Very high138 Ų13830.9 Ų30.965%0.64517%0.171SC*.SBendtrans-138.2179.1-165.4-58.3-167.8177.500114.3D141 E145D141-E143 PolarHBondContact OD1-N 3.23Å; E143-E145 PolarHBondContact O-N 2.97Å; E143-E145 VanDerWaalsContact O-N 3.12Å
144L90.6Very high92.3Very high118 Ų11833.6 Ų33.662%0.61819%0.187SC*.  trans55.232.2161.8-63-178.9000118.6E92 G146E92-L144 HydrophobicContact CG-CB 3.64Å; E92-L144 HydrophobicContact CG-CD1 4.26Å; L144-G146 PolarHBondContact O-N 2.98Å
145E93.6Very high92.3Very high53 Ų5335.1 Ų35.125%0.24819%0.193CC..  trans-61.2131.8-170.4-34.392.2152.900114.1K62 Y63 P65 E143K62-E145 HydrophobicContact CB-CB 4.36Å; K62-E145 HydrophobicContact CD-CB 4.33Å; K62-E145 WeakPolarHBondContact CE-O 3.47Å; K62-E145 HydrophobicContact CG-CB 4.44Å; K62-E145 PolarHBondContact NZ-O 2.9Å; K62-E145 IonicContact NZ-OE2 2.74Å; K62-E145 PolarHBondContact NZ-OE2 2.95Å; Y63-E145 HydrophobicContact CD2-CB 3.77Å; Y63-E145 HydrophobicContact CD2-CG 4.33Å; Y63-E145 HydrophobicContact CE2-CB 3.59Å; Y63-E145 HydrophobicContact CE2-CG 4.27Å; Y63-E145 WeakPolarHBondContact O-CB 3.46Å; P65-E145 HydrophobicContact CB-CG 4.46Å; E143-E145 PolarHBondContact O-N 2.97Å; E143-E145 VanDerWaalsContact O-N 3.12Å
146G92.7Very high92.2Very high9 Ų935.9 Ų35.99%0.09320%0.201CC..  trans-86.7-175.2171.500000114.2K62 Y63 S90 L144 G148K62-G146 VanDerWaalsContact CA-O 3.27Å; K62-G146 WeakPolarHBondContact CA-O 3.41Å; Y63-G146 WeakPolarHBondContact CD1-O 3.32Å; Y63-G146 VanDerWaalsContact CE1-N 3.33Å; Y63-G146 VanDerWaalsContact CE1-O 3.28Å; Y63-G146 WeakPolarHBondContact CE1-O 3.35Å; Y63-G146 PolarHBondContact N-O 3.16Å; Y63-G146 PolarHBondContact OH-N 3.47Å; S90-G146 CarbonylContact O-C 3.59Å; S90-G146 VanDerWaalsContact O-C 3.32Å; S90-G146 VanDerWaalsContact O-CA 3.25Å; S90-G146 WeakPolarHBondContact O-CA 3.43Å; L144-G146 PolarHBondContact O-N 2.98Å; G146-G148 PolarHBondContact O-N 3.24Å
147V93.8Very high91.8Very high44 Ų4439.3 Ų39.327%0.26723%0.229SC..  trans-66.2-21.5173.91740000112.2Y59 S90Y59-V147 HydrophobicContact CD2-CG1 4.17Å; Y59-V147 HydrophobicContact CE2-CG1 4.09Å; S90-V147 PolarHBondContact O-N 2.87Å; S90-V147 VanDerWaalsContact O-N 3.13Å
148G94.1Very high91.3Very high0 Ų037.9 Ų37.90%022%0.224CC..BIsolated β-bridgetrans88.7-137.9-177.200000112.2S56 Y63 S90 G146S56-G148 WeakPolarHBondContact OG-CA 3.21Å; Y63-G148 VanDerWaalsContact CD1-CA 3.42Å; S90-G148 PolarHBondContact N-O 2.97Å; S90-G148 WeakPolarHBondContact O-CA 3.44Å; S90-G148 PolarHBondContact O-N 3.36Å; G146-G148 PolarHBondContact O-N 3.24Å
149F93.8Very high90.4Very high0 Ų042 Ų420%025%0.25CS..  trans-149.8156.8-175.266.7-92.5000112.4F54 T55 S56 Y71 F85 Y89 I91 I102 F138 A151F54-F149 AromaticContact CD2-CE2 3.89Å; F54-F149 HydrophobicContact CD2-CE2 3.89Å; F54-F149 AromaticContact CE2-CE2 3.69Å; F54-F149 HydrophobicContact CE2-CE2 3.69Å; F54-F149 HydrophobicContact CE2-CZ 4.32Å; T55-F149 CarbonylContact C-O 3.44Å; T55-F149 VanDerWaalsContact CA-O 3.28Å; T55-F149 WeakPolarHBondContact CA-O 3.2Å; T55-F149 WeakPolarHBondContact CB-O 3.14Å; S56-F149 PolarHBondContact N-O 2.94Å; S56-F149 PolarHBondContact OG-N 2.82Å; S56-F149 PolarHBondContact OG-O 3.34Å; Y71-F149 HydrophobicContact CE2-CZ 4.19Å; F85-F149 HydrophobicContact CD1-CB 4.26Å; F85-F149 HydrophobicContact CD1-CD2 4.21Å; F85-F149 HydrophobicContact CD1-CG 4.46Å; F85-F149 AromaticContact CE1-CD2 3.92Å; F85-F149 HydrophobicContact CE1-CD2 3.92Å; F85-F149 HydrophobicContact CE1-CE2 4.46Å; F85-F149 HydrophobicContact CE1-CG 4.31Å; Y89-F149 HydrophobicContact CD2-CB 3.62Å; Y89-F149 HydrophobicContact CE2-CB 3.97Å; I91-F149 HydrophobicContact CD1-CD1 4.2Å; I102-F149 HydrophobicContact CD1-CD1 4.24Å; I102-F149 HydrophobicContact CD1-CD2 4.44Å; I102-F149 HydrophobicContact CD1-CE1 3.87Å; I102-F149 HydrophobicContact CD1-CE2 4.1Å; I102-F149 HydrophobicContact CD1-CZ 3.8Å; F138-F149 HydrophobicContact CB-CE1 3.98Å; F138-F149 HydrophobicContact CB-CZ 4.35Å; F138-F149 AromaticContact CD1-CE1 3.87Å; F138-F149 HydrophobicContact CD1-CE1 3.87Å; F138-F149 AromaticContact CD2-CE1 3.97Å; F138-F149 HydrophobicContact CD2-CE1 3.97Å; F138-F149 HydrophobicContact CE1-CE1 4.31Å; F138-F149 HydrophobicContact CE2-CE1 4.42Å; F138-F149 AromaticContact CG-CE1 3.68Å; F138-F149 HydrophobicContact CG-CE1 3.68Å; F138-F149 HydrophobicContact CG-CZ 4.46Å; F149-A151 HydrophobicContact CD2-CB 4.11Å; F149-A151 HydrophobicContact CE2-CB 4.38Å
150S92.3Very high89.3Confident2 Ų244.4 Ų44.41%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-123135.4161.1178.40000108.8L53 Y59 E86L53-S150 VanDerWaalsContact CD1-OG 3.23Å; L53-S150 WeakPolarHBondContact CD1-OG 3.45Å; Y59-S150 VanDerWaalsContact CE1-CB 3.49Å; Y59-S150 VanDerWaalsContact CZ-CB 3.46Å; E86-S150 PolarHBondContact N-O 2.85Å; E86-S150 VanDerWaalsContact OE1-CB 3.28Å; E86-S150 WeakPolarHBondContact OE1-CB 3.23Å; E86-S150 PolarHBondContact OE1-OG 2.93Å; E86-S150 WeakPolarHBondContact OE2-CB 3.27Å
151A92.1Very high88Confident0 Ų045.3 Ų45.30%027%0.266CS..EExtended strand (participates in β ladder)trans-136.3121-173.300000110.7F54 L83 H84 F85 F149F54-A151 HydrophobicContact CD1-CB 4.21Å; F54-A151 WeakPolarHBondContact CD1-O 3.42Å; F54-A151 HydrophobicContact CD2-CB 4.45Å; F54-A151 HydrophobicContact CE1-CB 3.7Å; F54-A151 HydrophobicContact CE2-CB 3.98Å; F54-A151 HydrophobicContact CZ-CB 3.56Å; F54-A151 PolarHBondContact N-O 2.72Å; F54-A151 PolarHBondContact O-N 2.72Å; F54-A151 VanDerWaalsContact O-O 3.13Å; L83-A151 HydrophobicContact CD1-CB 4.17Å; H84-A151 CarbonylContact O-C 3.51Å; H84-A151 WeakPolarHBondContact O-CA 3.39Å; F85-A151 HydrophobicContact CD1-CB 3.7Å; F85-A151 HydrophobicContact CE1-CB 3.62Å; F85-A151 HydrophobicContact CG-CB 4.37Å; F85-A151 HydrophobicContact CZ-CB 4.25Å; F149-A151 HydrophobicContact CD2-CB 4.11Å; F149-A151 HydrophobicContact CE2-CB 4.38Å
152S91.8Very high86.6Confident46 Ų4645.9 Ų45.932%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-100.6145.4173.158.90000109.8G52 H84G52-S152 WeakPolarHBondContact O-CA 3.09Å; H84-S152 PolarHBondContact N-O 3.12Å; H84-S152 PolarHBondContact O-N 3.02Å; H84-S152 VanDerWaalsContact O-O 3.12Å; H84-S152 PolarHBondContact O-OG 3.45Å
153Y92.2Very high85.3Confident8 Ų852.1 Ų52.13%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-135.8146175.167.8-87.6000110.3V46 G51 G52 F54 L73 I81 D82 F155V46-Y153 HydrophobicContact CG1-CE1 4.17Å; V46-Y153 VanDerWaalsContact CG1-OH 3.22Å; V46-Y153 WeakPolarHBondContact CG1-OH 2.98Å; G51-Y153 CarbonylContact C-O 3.46Å; G51-Y153 WeakPolarHBondContact CA-O 3.3Å; G52-Y153 VanDerWaalsContact C-CE1 3.49Å; G52-Y153 PolarHBondContact N-O 2.7Å; G52-Y153 WeakPolarHBondContact O-CD1 3.47Å; G52-Y153 PolarHBondContact O-N 3.25Å; F54-Y153 AromaticContact CD1-CD1 3.9Å; F54-Y153 HydrophobicContact CD1-CD1 3.9Å; F54-Y153 HydrophobicContact CD1-CE1 4.15Å; F54-Y153 HydrophobicContact CE1-CD1 4.01Å; L73-Y153 HydrophobicContact CD1-CD1 3.95Å; L73-Y153 HydrophobicContact CD1-CD2 4.19Å; L73-Y153 HydrophobicContact CD1-CE1 4.5Å; L73-Y153 HydrophobicContact CD1-CG 3.78Å; L73-Y153 HydrophobicContact CD2-CD1 3.97Å; L73-Y153 HydrophobicContact CD2-CD2 4.47Å; L73-Y153 HydrophobicContact CD2-CE1 3.68Å; L73-Y153 HydrophobicContact CD2-CE2 4.23Å; L73-Y153 HydrophobicContact CD2-CG 4.36Å; I81-Y153 HydrophobicContact CG2-CD2 4.38Å; D82-Y153 VanDerWaalsContact O-CA 3.3Å; D82-Y153 WeakPolarHBondContact O-CA 3.41Å; Y153-F155 HydrophobicContact CD2-CD1 4.48Å; Y153-F155 AromaticContact CD2-CE1 3.76Å; Y153-F155 HydrophobicContact CD2-CE1 3.76Å; Y153-F155 HydrophobicContact CD2-CZ 4.16Å; Y153-F155 AromaticContact CE2-CE1 3.74Å; Y153-F155 HydrophobicContact CE2-CE1 3.74Å; Y153-F155 AromaticContact CE2-CZ 3.67Å; Y153-F155 HydrophobicContact CE2-CZ 3.67Å
154N91.6Very high84Confident78 Ų7850.9 Ų50.942%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-127.8175.2172.272.559.2000110I81 D82 T156I81-N154 WeakPolarHBondContact CA-O 3.35Å; D82-N154 PolarHBondContact N-O 2.8Å; D82-N154 VanDerWaalsContact N-O 3.14Å; D82-N154 PolarHBondContact O-N 3.24Å; N154-T156 WeakPolarHBondContact OD1-CG2 3.23Å
155F90Very high82.6Confident32 Ų3247.7 Ų47.714%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-117.1124.8176-49.5-46.9000110.2E48 G51 A75 P76 Q79 C80 I81 Y153E48-F155 WeakPolarHBondContact O-CE2 3.45Å; G51-F155 VanDerWaalsContact N-CE2 3.34Å; A75-F155 HydrophobicContact CB-CB 4.41Å; A75-F155 HydrophobicContact CB-CD1 3.43Å; A75-F155 VanDerWaalsContact CB-CD1 3.43Å; A75-F155 HydrophobicContact CB-CE1 3.72Å; A75-F155 HydrophobicContact CB-CG 3.94Å; A75-F155 HydrophobicContact CB-CZ 4.42Å; P76-F155 HydrophobicContact CG-CD2 4Å; P76-F155 HydrophobicContact CG-CE2 4.33Å; Q79-F155 HydrophobicContact CB-CB 4.31Å; Q79-F155 VanDerWaalsContact OE1-CB 3.23Å; C80-F155 WeakPolarHBondContact O-CA 3.46Å; I81-F155 HydrophobicContact CG1-CD1 4Å; I81-F155 HydrophobicContact CG1-CE1 4.07Å; Y153-F155 HydrophobicContact CD2-CD1 4.48Å; Y153-F155 AromaticContact CD2-CE1 3.76Å; Y153-F155 HydrophobicContact CD2-CE1 3.76Å; Y153-F155 HydrophobicContact CD2-CZ 4.16Å; Y153-F155 AromaticContact CE2-CE1 3.74Å; Y153-F155 HydrophobicContact CE2-CE1 3.74Å; Y153-F155 AromaticContact CE2-CZ 3.67Å; Y153-F155 HydrophobicContact CE2-CZ 3.67Å
156T88.4Confident81Confident42 Ų4252.1 Ų52.126%0.25832%0.324SS..EExtended strand (participates in β ladder)trans-115.4156.8175.955.80000111.4Q79 C80 D82 R128 N154 D158Q79-T156 CarbonylContact C-O 3.5Å; Q79-T156 WeakPolarHBondContact CA-O 3.48Å; Q79-T156 VanDerWaalsContact CB-O 3.28Å; Q79-T156 WeakPolarHBondContact CB-O 3.4Å; C80-T156 PolarHBondContact N-O 3.17Å; C80-T156 PolarHBondContact O-N 3.06Å; D82-T156 WeakPolarHBondContact OD2-CB 3.31Å; D82-T156 WeakPolarHBondContact OD2-CG2 3.31Å; D82-T156 PolarHBondContact OD2-OG1 3Å; R128-T156 PolarHBondContact NH1-OG1 3Å; R128-T156 PolarHBondContact NH2-OG1 2.82Å; N154-T156 WeakPolarHBondContact OD1-CG2 3.23Å; T156-D158 PolarHBondContact O-N 2.85Å
157A83.3Confident79.4Confident72 Ų7255.1 Ų55.160%0.59534%0.342SS*.EExtended strand (participates in β ladder)trans-58.1132.6176.400000110.8R128R128-A157 PolarHBondContact NH2-O 2.86Å
158D80.6Confident77.9Confident17 Ų1758 Ų589%0.09136%0.362CS..  trans-72.7123.2176.7-177.5-23.9000109.2R78 T156 D160 F161R78-D158 VanDerWaalsContact O-CB 3.31Å; R78-D158 WeakPolarHBondContact O-CB 3.35Å; R78-D158 PolarHBondContact O-N 2.9Å; T156-D158 PolarHBondContact O-N 2.85Å; D158-D160 PolarHBondContact O-N 3.02Å; D158-D160 WeakPolarHBondContact OD1-CB 3.36Å; D158-D160 PolarHBondContact OD1-N 3.06Å; D158-D160 VanDerWaalsContact OD1-N 3.13Å; D158-F161 HydrophobicContact CB-CD2 3.71Å; D158-F161 HydrophobicContact CB-CE2 4.16Å; D158-F161 PolarHBondContact O-N 3.14Å; D158-F161 WeakPolarHBondContact OD2-CE2 3.3Å
159P75.9Confident76.5Confident85 Ų8564.2 Ų64.255%0.55240%0.402SS*.G310 helixtrans-61.7-26.8-173.826-35.6000113F161 A162P159-F161 PolarHBondContact O-N 3.05Å; P159-A162 PolarHBondContact O-N 3.07Å
160D70.9Confident75.6Confident90 Ų9067.8 Ų67.848%0.48142%0.421SS..G310 helixtrans-64.9-4.2175.5-94.220.2000113.5D158 R232D158-D160 PolarHBondContact O-N 3.02Å; D158-D160 WeakPolarHBondContact OD1-CB 3.36Å; D158-D160 PolarHBondContact OD1-N 3.06Å; D158-D160 VanDerWaalsContact OD1-N 3.13Å; D160-R232 PolarHBondContact O-NH2 3.2Å; D160-R232 IonicContact OD2-NH2 2.72Å
161F65.9Low75Confident26 Ų2669.2 Ų69.211%0.11443%0.43CS..G310 helixtrans-130.13.6179.9-55.6-97.5000113.6R78 D158 P159 D163 L164 R232R78-F161 HydrophobicContact CB-CB 4.28Å; R78-F161 HydrophobicContact CB-CD1 4.2Å; R78-F161 HydrophobicContact CB-CD2 4.13Å; R78-F161 HydrophobicContact CB-CE1 4.48Å; R78-F161 HydrophobicContact CB-CE2 4.43Å; R78-F161 HydrophobicContact CB-CG 3.97Å; R78-F161 HydrophobicContact CG-CD1 3.8Å; R78-F161 HydrophobicContact CG-CE1 3.86Å; R78-F161 HydrophobicContact CG-CG 4.11Å; R78-F161 HydrophobicContact CG-CZ 4.23Å; D158-F161 HydrophobicContact CB-CD2 3.71Å; D158-F161 HydrophobicContact CB-CE2 4.16Å; D158-F161 PolarHBondContact O-N 3.14Å; D158-F161 WeakPolarHBondContact OD2-CE2 3.3Å; P159-F161 PolarHBondContact O-N 3.05Å; F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 2.9Å; F161-L164 HydrophobicContact CB-CD1 4.45Å; F161-L164 HydrophobicContact CD1-CD1 4.23Å; F161-L164 WeakPolarHBondContact O-CB 3.47Å; F161-L164 PolarHBondContact O-N 2.84Å; F161-R232 HydrophobicContact CE1-CG 3.81Å; F161-R232 HydrophobicContact CZ-CB 4.49Å; F161-R232 HydrophobicContact CZ-CG 3.59Å
162A64.4Low74.3Confident64 Ų6474.2 Ų74.253%0.52947%0.465SS..G310 helixtrans-58.2-35.7-172.900000113.6P159 L164 G165P159-A162 PolarHBondContact O-N 3.07Å; A162-L164 PolarHBondContact O-N 2.84Å; A162-L164 VanDerWaalsContact O-N 3.12Å; A162-G165 PolarHBondContact O-N 2.82Å
163D63.8Low74Confident171 Ų17172.2 Ų72.291%0.91445%0.451SS*.G310 helixtrans-65.5-11.2179.2-66.2-27.6000114.4F161F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 2.9Å
164L63.2Low74Confident111 Ų11176.5 Ų76.558%0.58147%0.471SS*.G310 helixtrans-91.6-3.5-177.7-58.6175000113.6R78 F161 A162R78-L164 VanDerWaalsContact NH1-CD1 3.25Å; F161-L164 HydrophobicContact CB-CD1 4.45Å; F161-L164 HydrophobicContact CD1-CD1 4.23Å; F161-L164 WeakPolarHBondContact O-CB 3.47Å; F161-L164 PolarHBondContact O-N 2.84Å; A162-L164 PolarHBondContact O-N 2.84Å; A162-L164 VanDerWaalsContact O-N 3.12Å
165G60.8Low74.1Confident51 Ų5173.7 Ų73.753%0.52646%0.455SS..  trans72.4-165.4178.800000114.2A162 P167A162-G165 PolarHBondContact O-N 2.82Å; G165-P167 VanDerWaalsContact O-CD 3.28Å; G165-P167 WeakPolarHBondContact O-CD 3.07Å
166V59.4Low74.3Confident146 Ų14676 Ų7689%0.88547%0.469SS*.SBendtrans-77.2115.9179.7-178.60000109.5
167P58.4Low74.6Confident73 Ų7375.3 Ų75.347%0.47446%0.463SS..PPolyproline II helixtrans-70.1150.4-176.5-19.533.6000112.8G165G165-P167 VanDerWaalsContact O-CD 3.28Å; G165-P167 WeakPolarHBondContact O-CD 3.07Å
168P63Low75.1Confident105 Ų10577.3 Ų77.368%0.68247%0.468SS*.PPolyproline II helixtrans-63.9155.116529.6-34.9000111L170P168-L170 PolarHBondContact O-N 2.83Å
169P65.5Low75.5Confident130 Ų13077.3 Ų77.384%0.84447%0.471SS*.PPolyproline II helixtrans-61.2135.6176.426.5-34.6000110.9
170L73.5Confident76.2Confident75 Ų7575.9 Ų75.939%0.39346%0.462SS..PPolyproline II helixtrans-68.1140.6-174.5-70.4165.7000112.3P77 P168 A200 W271P77-L170 HydrophobicContact CB-CD1 4.29Å; P77-L170 HydrophobicContact CG-CD1 3.72Å; P168-L170 PolarHBondContact O-N 2.83Å; L170-A200 HydrophobicContact CD2-CB 4.02Å; L170-A200 WeakPolarHBondContact CD2-O 3.24Å; L170-W271 HydrophobicContact CD1-CH2 4.03Å; L170-W271 HydrophobicContact CD1-CZ3 3.76Å; L170-W271 HydrophobicContact CD2-CH2 3.96Å; L170-W271 HydrophobicContact CD2-CZ3 3.99Å
171P79.4Confident77.2Confident31 Ų3174.6 Ų74.620%0.20145%0.454CS..PPolyproline II helixtrans-70.5142.9178.927.7-33.9000112.7C173 K194 A195 A200 V201P171-C173 PolarHBondContact O-N 2.66Å; P171-C173 VanDerWaalsContact O-N 3.11Å; P171-K194 WeakPolarHBondContact CB-O 3.41Å; P171-A195 HydrophobicContact CB-CB 4.01Å; P171-A195 HydrophobicContact CG-CB 3.56Å; P171-A200 VanDerWaalsContact CD-O 3.32Å; P171-A200 WeakPolarHBondContact CD-O 3.28Å; P171-V201 HydrophobicContact CG-CG1 3.98Å
172S78.5Confident78.6Confident106 Ų10674.3 Ų74.374%0.74146%0.458SS*.  trans-85.679-176.450.10000113.3Q174S172-Q174 PolarHBondContact O-N 3.41Å
173C85.9Confident80.1Confident4 Ų474.6 Ų74.63%0.02745%0.45CS..  trans-96.479.1177.148.90000113.5P171 Y175 K194 C203 K204P171-C173 PolarHBondContact O-N 2.66Å; P171-C173 VanDerWaalsContact O-N 3.11Å; C173-Y175 HydrophobicContact CB-CE2 4.39Å; C173-K194 HydrophobicContact CB-CB 4.02Å; C173-C203 HydrophobicContact CB-CB 3.78Å; C173-C203 WeakPolarHBondContact CB-SG 3.31Å; C173-C203 CarbonylContact O-C 3.32Å; C173-C203 WeakPolarHBondContact O-CA 3.32Å; C173-C203 WeakPolarHBondContact SG-CA 3.29Å; C173-C203 WeakPolarHBondContact SG-CB 3.47Å; C173-C203 CovalentContact SG-SG 2.03Å; C173-C203 PolarHBondContact SG-SG 3.4Å; C173-K204 PolarHBondContact O-N 2.72Å
174Q91.8Very high81.6Confident97 Ų9766.5 Ų66.545%0.45341%0.406SS..EExtended strand (participates in β ladder)trans-102.7142.2165177.3168.4-38.600111.5S172 D176 K204 Y206S172-Q174 PolarHBondContact O-N 3.41Å; Q174-D176 PolarHBondContact NE2-OD2 3.05Å; Q174-K204 CarbonylContact C-O 3.5Å; Q174-K204 WeakPolarHBondContact CA-O 3.48Å; Q174-Y206 HydrophobicContact CG-CD2 3.86Å; Q174-Y206 HydrophobicContact CG-CE2 3.77Å
175Y93.7Very high83.1Confident19 Ų1963 Ų638%0.07539%0.387CS..EExtended strand (participates in β ladder)trans-129.4145.6174.2-61.3-82.1000110.9C173 Q188 I189 D192 K194 K204 W205 Y206C173-Y175 HydrophobicContact CB-CE2 4.39Å; Y175-Q188 HydrophobicContact CE1-CG 3.85Å; Y175-Q188 VanDerWaalsContact CE1-NE2 3.35Å; Y175-Q188 PolarHBondContact OH-O 3.37Å; Y175-I189 HydrophobicContact CE2-CG1 4.27Å; Y175-I189 WeakPolarHBondContact OH-CA 3.2Å; Y175-D192 HydrophobicContact CE1-CB 4.46Å; Y175-D192 WeakPolarHBondContact CE1-OD2 3.07Å; Y175-K194 WeakPolarHBondContact OH-CG 3.48Å; Y175-K204 PolarHBondContact N-O 2.69Å; Y175-W205 AromaticContact CD2-CD1 3.57Å; Y175-W205 HydrophobicContact CD2-CD2 4.04Å; Y175-W205 AromaticContact CD2-CE2 3.6Å; Y175-W205 HydrophobicContact CD2-CG 4.04Å; Y175-W205 HydrophobicContact CD2-CZ2 4.26Å; Y175-W205 AromaticContact CD2-NE1 3.25Å; Y175-W205 AromaticContact CE2-CE2 3.95Å; Y175-W205 HydrophobicContact CE2-CZ2 4.16Å; Y175-W205 AromaticContact CE2-NE1 3.77Å; Y175-W205 AromaticContact CG-CD1 3.6Å; Y175-W205 HydrophobicContact CG-CG 4.33Å; Y175-W205 AromaticContact CG-NE1 3.61Å; Y175-W205 WeakPolarHBondContact O-CA 3.34Å; Y175-Y206 PolarHBondContact O-N 3.47Å
176D93.9Very high84.6Confident81 Ų8161 Ų6143%0.43337%0.365SS..EExtended strand (participates in β ladder)trans-129.2123.5-179.2-80.2-92.1000108.7Q174 R208Q174-D176 PolarHBondContact NE2-OD2 3.05Å; D176-R208 IonicContact OD1-CZ 2.74Å; D176-R208 IonicContact OD1-NH1 2.73Å; D176-R208 PolarHBondContact OD1-NH1 2.9Å; D176-R208 IonicContact OD1-NH2 3.18Å; D176-R208 PolarHBondContact OD1-NH2 3.06Å
177M94.6Very high86Confident28 Ų2859.7 Ų59.714%0.13835%0.349CS..EExtended strand (participates in β ladder)trans-126.8138.3-172.2-56.4-165-54.500110.9V184 W205 Y206 I207 R208 F285M177-V184 HydrophobicContact CE-CG2 3.3Å; M177-V184 HydrophobicContact SD-CG2 4.06Å; M177-W205 HydrophobicContact CE-CB 4.5Å; M177-Y206 PolarHBondContact N-O 2.79Å; M177-I207 HydrophobicContact CE-CB 4.45Å; M177-I207 HydrophobicContact CE-CD1 3.78Å; M177-I207 HydrophobicContact CE-CG1 3.57Å; M177-I207 HydrophobicContact CE-CG2 4.46Å; M177-R208 PolarHBondContact O-N 3.15Å; M177-F285 HydrophobicContact CB-CE1 4.27Å; M177-F285 HydrophobicContact CB-CZ 4.28Å; M177-F285 HydrophobicContact CE-CD1 3.52Å; M177-F285 HydrophobicContact CE-CE1 3.27Å; M177-F285 HydrophobicContact CE-CZ 4.21Å; M177-F285 HydrophobicContact SD-CE1 3.83Å
178V93.6Very high87.5Confident114 Ų11457.9 Ų57.969%0.69133%0.334SS*.EExtended strand (participates in β ladder)trans-143.2128.4179.5-167.90000108R208V178-R208 HydrophobicContact CG2-CB 4.3Å
179G89.1Confident88.8Confident16 Ų1652.9 Ų52.917%0.16530%0.302CS..SBendtrans161.7172.5-179.900000112.6T287G179-T287 VanDerWaalsContact O-CG2 3.23Å; G179-T287 WeakPolarHBondContact O-CG2 3.48Å
180P90.1Very high89.8Confident56 Ų5649.4 Ų49.436%0.36428%0.278SS..SBendtrans-79.7-25.1176.933.2-35.2000113.2T287 L310P180-T287 WeakPolarHBondContact CA-OG1 3.28Å; P180-T287 PolarHBondContact O-N 3.14Å; P180-T287 PolarHBondContact O-OG1 2.82Å; P180-L310 HydrophobicContact CB-CD1 4.35Å
181E93.6Very high90.6Very high63 Ų6352 Ų5229%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-142.7165.6171.370.3178.8166.900110.3F285 L310 N313 N317E181-F285 CarbonylContact C-O 3.56Å; E181-F285 VanDerWaalsContact CA-O 3.23Å; E181-F285 WeakPolarHBondContact CA-O 3.4Å; E181-L310 HydrophobicContact CB-CD1 4.42Å; E181-L310 HydrophobicContact CB-CD2 3.97Å; E181-L310 VanDerWaalsContact CD-CD2 3.4Å; E181-L310 HydrophobicContact CG-CD2 3.73Å; E181-N313 PolarHBondContact OE1-ND2 2.94Å; E181-N313 PolarHBondContact OE2-ND2 3.24Å; E181-N317 PolarHBondContact OE2-ND2 3.22Å
182G94.9Very high91Very high20 Ų2054 Ų5421%0.20629%0.292CS..EExtended strand (participates in β ladder)trans173.6170.4168.200000113.1L284 F285G182-L284 CarbonylContact O-C 3.45Å; G182-L284 WeakPolarHBondContact O-CA 3.46Å; G182-F285 VanDerWaalsContact C-CD1 3.48Å; G182-F285 VanDerWaalsContact C-CE1 3.49Å; G182-F285 PolarHBondContact N-O 3.22Å; G182-F285 WeakPolarHBondContact O-CD1 3.36Å; G182-F285 PolarHBondContact O-N 2.78Å
183I95Very high91.3Very high70 Ų7052.1 Ų52.136%0.35929%0.289SS..EExtended strand (participates in β ladder)trans-123126.6-173.8-51.9178.6000110.9E185 R282 I283 L284I183-E185 HydrophobicContact CG2-CG 3.78Å; I183-R282 HydrophobicContact CG2-CB 4.44Å; I183-I283 CarbonylContact C-O 3.53Å; I183-I283 WeakPolarHBondContact CA-O 3.32Å; I183-L284 HydrophobicContact CG1-CD1 4.13Å
184V95.9Very high91.3Very high0 Ų056.2 Ų56.20%031%0.306CS..EExtended strand (participates in β ladder)trans-93.3122.9169.7-172.60000109.3M177 W205 I207 I268 F281 R282 I283M177-V184 HydrophobicContact CE-CG2 3.3Å; M177-V184 HydrophobicContact SD-CG2 4.06Å; V184-W205 HydrophobicContact CG1-CB 4.29Å; V184-W205 HydrophobicContact CG1-CD2 3.52Å; V184-W205 HydrophobicContact CG1-CE3 4.09Å; V184-W205 HydrophobicContact CG1-CG 3.61Å; V184-W205 HydrophobicContact CG1-CZ2 4.11Å; V184-W205 HydrophobicContact CG2-CB 4.49Å; V184-W205 HydrophobicContact CG2-CG 4.48Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å; V184-I268 HydrophobicContact CG2-CD1 4.17Å; V184-F281 HydrophobicContact CG1-CE2 3.79Å; V184-F281 HydrophobicContact CG1-CZ 4.46Å; V184-R282 CarbonylContact O-C 3.55Å; V184-R282 VanDerWaalsContact O-CA 3.3Å; V184-R282 WeakPolarHBondContact O-CA 3.05Å; V184-I283 HydrophobicContact CB-CB 4.36Å; V184-I283 PolarHBondContact N-O 3.35Å; V184-I283 PolarHBondContact O-N 3.07Å
185E93.9Very high90.9Very high39 Ų3952 Ų5218%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-126.5132.7-179.1-53-171.5118.200111.7I183 H187 Q188 R191 F281 R282I183-E185 HydrophobicContact CG2-CG 3.78Å; E185-H187 PolarHBondContact O-N 2.79Å; E185-H187 VanDerWaalsContact O-N 3.16Å; E185-Q188 WeakPolarHBondContact O-CB 3.45Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-R191 IonicContact OE2-CZ 3.56Å; E185-R191 VanDerWaalsContact OE2-CZ 3.3Å; E185-R191 IonicContact OE2-NH1 2.77Å; E185-R191 PolarHBondContact OE2-NH1 2.83Å; E185-R191 IonicContact OE2-NH2 2.8Å; E185-R191 PolarHBondContact OE2-NH2 3.2Å; E185-F281 WeakPolarHBondContact CA-O 3.4Å; E185-R282 HydrophobicContact CB-CG 4.47Å; E185-R282 HydrophobicContact CG-CG 4.06Å; E185-R282 WeakPolarHBondContact OE1-CD 3.39Å
186S92.2Very high90.2Very high8 Ų852.3 Ų52.36%0.05630%0.297CS..THydrogen-bonded Turntrans-63.1-22.8175.369.20000113.6Q188 R277 S279 R280 F281S186-Q188 VanDerWaalsContact C-N 3.28Å; S186-Q188 PolarHBondContact O-N 3.04Å; S186-R277 PolarHBondContact O-NH2 3.2Å; S186-S279 WeakPolarHBondContact CB-O 3.33Å; S186-S279 PolarHBondContact OG-O 2.67Å; S186-R280 WeakPolarHBondContact OG-CA 3.36Å; S186-F281 PolarHBondContact N-O 2.94Å; S186-F281 VanDerWaalsContact N-O 3.14Å; S186-F281 PolarHBondContact OG-N 3.22Å
187H89.3Confident89.5Confident119 Ų11951 Ų5155%0.55130%0.298SS*.THydrogen-bonded Turntrans-71.2-20.5175.1-171.665.7000113.3E185 I189 T190 R191E185-H187 PolarHBondContact O-N 2.79Å; E185-H187 VanDerWaalsContact O-N 3.16Å; H187-I189 PolarHBondContact O-N 2.9Å; H187-T190 PolarHBondContact O-N 3.15Å; H187-R191 WeakPolarHBondContact O-CB 3.09Å; H187-R191 PolarHBondContact O-N 3.19Å
188Q90.4Very high88.8Confident35 Ų3554.2 Ų54.216%0.16432%0.319CS..Hα-helixtrans-57.2-34.7177.5-171.2176.85.200112.3Y175 E185 S186 T190 R191 D192Y175-Q188 HydrophobicContact CE1-CG 3.85Å; Y175-Q188 VanDerWaalsContact CE1-NE2 3.35Å; Y175-Q188 PolarHBondContact OH-O 3.37Å; E185-Q188 WeakPolarHBondContact O-CB 3.45Å; E185-Q188 PolarHBondContact O-N 2.92Å; S186-Q188 VanDerWaalsContact C-N 3.28Å; S186-Q188 PolarHBondContact O-N 3.04Å; Q188-T190 VanDerWaalsContact C-N 3.27Å; Q188-T190 PolarHBondContact O-N 2.02Å; Q188-R191 PolarHBondContact O-N 3.11Å; Q188-D192 VanDerWaalsContact CG-CG 3.47Å; Q188-D192 WeakPolarHBondContact CG-OD2 3.12Å; Q188-D192 PolarHBondContact NE2-OD2 3.02Å; Q188-D192 VanDerWaalsContact O-CB 3.27Å; Q188-D192 WeakPolarHBondContact O-CB 3.38Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.67Å
189I89.6Confident88.2Confident0 Ų053.1 Ų53.10%031%0.306CS..Hα-helixtrans-56.7-41180-64.9160.4000111.9Y175 H187 K194 A195 V201 C203 W205 M270 R277Y175-I189 HydrophobicContact CE2-CG1 4.27Å; Y175-I189 WeakPolarHBondContact OH-CA 3.2Å; H187-I189 PolarHBondContact O-N 2.9Å; I189-K194 PolarHBondContact O-N 2.82Å; I189-A195 HydrophobicContact CG2-CB 3.66Å; I189-A195 PolarHBondContact O-N 3.49Å; I189-V201 HydrophobicContact CG2-CG1 4.42Å; I189-C203 HydrophobicContact CD1-CB 3.87Å; I189-C203 WeakPolarHBondContact CD1-SG 3.37Å; I189-C203 HydrophobicContact CG1-CB 4.26Å; I189-W205 HydrophobicContact CD1-CH2 3.68Å; I189-W205 HydrophobicContact CD1-CZ2 3.97Å; I189-W205 HydrophobicContact CG1-CH2 4.24Å; I189-W205 HydrophobicContact CG1-CZ2 4.03Å; I189-M270 HydrophobicContact CD1-SD 3.92Å; I189-R277 VanDerWaalsContact CD1-NH2 3.31Å
190T87.6Confident87.9Confident56 Ų5652.8 Ų52.834%0.34430%0.302SS..Hα-helixtrans-88.7-36-179.8-52.40000111.7H187 Q188 D192 G193 A197H187-T190 PolarHBondContact O-N 3.15Å; Q188-T190 VanDerWaalsContact C-N 3.27Å; Q188-T190 PolarHBondContact O-N 2.02Å; T190-D192 VanDerWaalsContact C-N 3.31Å; T190-D192 PolarHBondContact O-N 3.14Å; T190-G193 PolarHBondContact O-N 3.33Å; T190-A197 HydrophobicContact CG2-CB 4.41Å
191R88.9Confident87.7Confident131 Ų13150.1 Ų50.149%0.49428%0.284SS..Hα-helixtrans-58.1-42174.2174.7171.658.6-147.7-5.6112.3E185 H187 Q188 G193E185-R191 IonicContact OE2-CZ 3.56Å; E185-R191 VanDerWaalsContact OE2-CZ 3.3Å; E185-R191 IonicContact OE2-NH1 2.77Å; E185-R191 PolarHBondContact OE2-NH1 2.83Å; E185-R191 IonicContact OE2-NH2 2.8Å; E185-R191 PolarHBondContact OE2-NH2 3.2Å; H187-R191 WeakPolarHBondContact O-CB 3.09Å; H187-R191 PolarHBondContact O-N 3.19Å; Q188-R191 PolarHBondContact O-N 3.11Å; R191-G193 VanDerWaalsContact C-N 3.29Å; R191-G193 PolarHBondContact O-N 2.8Å
192D89.1Confident87.4Confident72 Ų7248.7 Ų48.739%0.38528%0.279SS..THydrogen-bonded Turntrans-91.79.2-175.9-57.713.3000111.8Y175 Q188 T190 K194Y175-D192 HydrophobicContact CE1-CB 4.46Å; Y175-D192 WeakPolarHBondContact CE1-OD2 3.07Å; Q188-D192 VanDerWaalsContact CG-CG 3.47Å; Q188-D192 WeakPolarHBondContact CG-OD2 3.12Å; Q188-D192 PolarHBondContact NE2-OD2 3.02Å; Q188-D192 VanDerWaalsContact O-CB 3.27Å; Q188-D192 WeakPolarHBondContact O-CB 3.38Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.67Å; T190-D192 VanDerWaalsContact C-N 3.31Å; T190-D192 PolarHBondContact O-N 3.14Å; D192-K194 HydrophobicContact CB-CG 4.28Å; D192-K194 PolarHBondContact O-N 2.85Å
193G84.8Confident87.2Confident67 Ų6747.8 Ų47.869%0.69127%0.269SS*.THydrogen-bonded Turntrans64.320.5176.900000115.1T190 R191T190-G193 PolarHBondContact O-N 3.33Å; R191-G193 VanDerWaalsContact C-N 3.29Å; R191-G193 PolarHBondContact O-N 2.8Å
194K85.1Confident87.1Confident90 Ų9046.2 Ų46.239%0.39126%0.26SS..SBendtrans-79-29-174.1-71.9-66.4-167.6169.50113.9P171 C173 Y175 I189 D192P171-K194 WeakPolarHBondContact CB-O 3.41Å; C173-K194 HydrophobicContact CB-CB 4.02Å; Y175-K194 WeakPolarHBondContact OH-CG 3.48Å; I189-K194 PolarHBondContact O-N 2.82Å; D192-K194 HydrophobicContact CB-CG 4.28Å; D192-K194 PolarHBondContact O-N 2.85Å
195A84.3Confident87.1Confident9 Ų946.2 Ų46.27%0.07426%0.26CS..SBendtrans-153.1152.2171.700000111.2P171 I189 E199 V201P171-A195 HydrophobicContact CB-CB 4.01Å; P171-A195 HydrophobicContact CG-CB 3.56Å; I189-A195 HydrophobicContact CG2-CB 3.66Å; I189-A195 PolarHBondContact O-N 3.49Å; A195-E199 WeakPolarHBondContact CA-OE2 3.42Å; A195-V201 HydrophobicContact CB-CG1 3.51Å
196G79.6Confident87.2Confident25 Ų2546 Ų4626%0.25826%0.258SS..  trans-63156173.900000113.4T198 E199G196-T198 PolarHBondContact O-N 3.08Å; G196-E199 VanDerWaalsContact N-CD 3.25Å; G196-E199 PolarHBondContact N-OE2 3.33Å; G196-E199 PolarHBondContact O-N 2.91Å
197A78.3Confident87.4Confident54 Ų5445.6 Ų45.645%0.44626%0.255SS..THydrogen-bonded Turntrans-69.2-3.8-17800000114.7T190 R277T190-A197 HydrophobicContact CG2-CB 4.41Å; A197-R277 WeakPolarHBondContact O-CG 3.24Å
198T79.3Confident87.7Confident94 Ų9444.7 Ų44.758%0.57725%0.247SC*.THydrogen-bonded Turntrans-132.415.6178.456.40000112G196 E274G196-T198 PolarHBondContact O-N 3.08Å; T198-E274 WeakPolarHBondContact O-CB 3.42Å; T198-E274 VanDerWaalsContact O-CG 3.25Å; T198-E274 WeakPolarHBondContact O-CG 3.32Å
199E81.3Confident87.8Confident91 Ų9143.6 Ų43.643%0.42524%0.244SC..  trans-95.3146.6178.1-71.4170.2-170.200110.8A195 G196 R277A195-E199 WeakPolarHBondContact CA-OE2 3.42Å; G196-E199 VanDerWaalsContact N-CD 3.25Å; G196-E199 PolarHBondContact N-OE2 3.33Å; G196-E199 PolarHBondContact O-N 2.91Å; E199-R277 WeakPolarHBondContact O-CD 3.02Å; E199-R277 VanDerWaalsContact O-CG 3.3Å; E199-R277 WeakPolarHBondContact O-CG 3.31Å
200A83.1Confident87.9Confident9 Ų946.4 Ų46.47%0.07426%0.262CS..  trans-74.9147.1170.100000111R78 L170 P171 W271 A272 E274R78-A200 VanDerWaalsContact NH2-CB 3.31Å; L170-A200 HydrophobicContact CD2-CB 4.02Å; L170-A200 WeakPolarHBondContact CD2-O 3.24Å; P171-A200 VanDerWaalsContact CD-O 3.32Å; P171-A200 WeakPolarHBondContact CD-O 3.28Å; A200-W271 HydrophobicContact CB-CH2 4.41Å; A200-A272 CarbonylContact C-O 3.59Å; A200-A272 VanDerWaalsContact CA-O 3.22Å; A200-A272 WeakPolarHBondContact CA-O 3.48Å; A200-E274 HydrophobicContact CB-CG 4.28Å
201V86.8Confident87.9Confident0 Ų049.4 Ų49.40%028%0.282CS..EExtended strand (participates in β ladder)trans-144.6144.2-170.5-57.70000114P171 I189 A195 C203 W271 A272P171-V201 HydrophobicContact CG-CG1 3.98Å; I189-V201 HydrophobicContact CG2-CG1 4.42Å; A195-V201 HydrophobicContact CB-CG1 3.51Å; V201-C203 VanDerWaalsContact CB-SG 3.57Å; V201-W271 WeakPolarHBondContact O-CA 3.37Å; V201-W271 WeakPolarHBondContact O-CZ3 3.5Å; V201-A272 HydrophobicContact CG2-CB 4.29Å; V201-A272 PolarHBondContact N-O 3.45Å; V201-A272 PolarHBondContact O-N 2.73Å; V201-A272 VanDerWaalsContact O-N 3.08Å
202D86.4Confident87.8Confident34 Ų3452.3 Ų52.318%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-117.172.3166.3-171.522000110.3R269 M270 W271D202-R269 WeakPolarHBondContact OD1-CG 3.43Å; D202-R269 IonicContact OD1-CZ 2.72Å; D202-R269 IonicContact OD1-NE 3.3Å; D202-R269 PolarHBondContact OD1-NE 2.86Å; D202-R269 IonicContact OD1-NH2 3.61Å; D202-R269 PolarHBondContact OD1-NH2 2.7Å; D202-R269 IonicContact OD2-CZ 2.7Å; D202-R269 IonicContact OD2-NE 2.82Å; D202-R269 PolarHBondContact OD2-NE 2.96Å; D202-R269 IonicContact OD2-NH2 3.65Å; D202-R269 PolarHBondContact OD2-NH2 3.23Å; D202-M270 CarbonylContact C-O 3.55Å; D202-M270 WeakPolarHBondContact CA-O 3.32Å; D202-W271 HydrophobicContact CB-CE3 3.65Å; D202-W271 HydrophobicContact CB-CZ3 3.93Å
203C90.1Very high88Confident0 Ų049.2 Ų49.20%028%0.277CS..EExtended strand (participates in β ladder)trans-87.4138.5-172.3-55.60000112.7C173 I189 V201 W205 R269 M270C173-C203 HydrophobicContact CB-CB 3.78Å; C173-C203 WeakPolarHBondContact CB-SG 3.31Å; C173-C203 CarbonylContact O-C 3.32Å; C173-C203 WeakPolarHBondContact O-CA 3.32Å; C173-C203 WeakPolarHBondContact SG-CA 3.29Å; C173-C203 WeakPolarHBondContact SG-CB 3.47Å; C173-C203 CovalentContact SG-SG 2.03Å; C173-C203 PolarHBondContact SG-SG 3.4Å; I189-C203 HydrophobicContact CD1-CB 3.87Å; I189-C203 WeakPolarHBondContact CD1-SG 3.37Å; I189-C203 HydrophobicContact CG1-CB 4.26Å; V201-C203 VanDerWaalsContact CB-SG 3.57Å; C203-W205 HydrophobicContact CB-CH2 3.86Å; C203-W205 HydrophobicContact CB-CZ3 3.86Å; C203-R269 CarbonylContact O-C 3.59Å; C203-R269 VanDerWaalsContact O-CA 3.26Å; C203-R269 WeakPolarHBondContact O-CA 3.01Å; C203-M270 PolarHBondContact N-O 2.84Å; C203-M270 PolarHBondContact O-N 2.51Å
204K92.8Very high88.4Confident37 Ų3747.9 Ų47.916%0.16125%0.252CS..EExtended strand (participates in β ladder)trans-127.3128.4-177.3-64.9177.8-174.9179.20111.4C173 Q174 Y175 Y206 V267 I268 R269C173-K204 PolarHBondContact O-N 2.72Å; Q174-K204 CarbonylContact C-O 3.5Å; Q174-K204 WeakPolarHBondContact CA-O 3.48Å; Y175-K204 PolarHBondContact N-O 2.69Å; K204-Y206 HydrophobicContact CB-CD2 4.45Å; K204-Y206 HydrophobicContact CB-CE2 3.82Å; K204-V267 HydrophobicContact CB-CG1 4.4Å; K204-I268 CarbonylContact C-O 3.59Å; K204-I268 WeakPolarHBondContact CA-O 3.43Å; K204-R269 HydrophobicContact CG-CB 4.41Å; K204-R269 HydrophobicContact CG-CG 4.06Å
205W96Very high88.9Confident0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-111.8116.5172.4-63.1-104000109.1Y175 M177 V184 I189 C203 V267 I268 M270 F281Y175-W205 AromaticContact CD2-CD1 3.57Å; Y175-W205 HydrophobicContact CD2-CD2 4.04Å; Y175-W205 AromaticContact CD2-CE2 3.6Å; Y175-W205 HydrophobicContact CD2-CG 4.04Å; Y175-W205 HydrophobicContact CD2-CZ2 4.26Å; Y175-W205 AromaticContact CD2-NE1 3.25Å; Y175-W205 AromaticContact CE2-CE2 3.95Å; Y175-W205 HydrophobicContact CE2-CZ2 4.16Å; Y175-W205 AromaticContact CE2-NE1 3.77Å; Y175-W205 AromaticContact CG-CD1 3.6Å; Y175-W205 HydrophobicContact CG-CG 4.33Å; Y175-W205 AromaticContact CG-NE1 3.61Å; Y175-W205 WeakPolarHBondContact O-CA 3.34Å; M177-W205 HydrophobicContact CE-CB 4.5Å; V184-W205 HydrophobicContact CG1-CB 4.29Å; V184-W205 HydrophobicContact CG1-CD2 3.52Å; V184-W205 HydrophobicContact CG1-CE3 4.09Å; V184-W205 HydrophobicContact CG1-CG 3.61Å; V184-W205 HydrophobicContact CG1-CZ2 4.11Å; V184-W205 HydrophobicContact CG2-CB 4.49Å; V184-W205 HydrophobicContact CG2-CG 4.48Å; I189-W205 HydrophobicContact CD1-CH2 3.68Å; I189-W205 HydrophobicContact CD1-CZ2 3.97Å; I189-W205 HydrophobicContact CG1-CH2 4.24Å; I189-W205 HydrophobicContact CG1-CZ2 4.03Å; C203-W205 HydrophobicContact CB-CH2 3.86Å; C203-W205 HydrophobicContact CB-CZ3 3.86Å; W205-V267 WeakPolarHBondContact O-CA 3.48Å; W205-I268 HydrophobicContact CE3-CG2 4.42Å; W205-I268 PolarHBondContact N-O 3.24Å; W205-I268 PolarHBondContact O-N 3.5Å; W205-M270 HydrophobicContact CH2-CB 4.02Å; W205-M270 HydrophobicContact CZ3-CB 3.73Å; W205-F281 AromaticContact CH2-CZ 3.74Å; W205-F281 HydrophobicContact CH2-CZ 3.74Å; W205-F281 HydrophobicContact CZ2-CZ 4.47Å; W205-F281 AromaticContact CZ3-CZ 3.9Å; W205-F281 HydrophobicContact CZ3-CZ 3.9Å
206Y95.6Very high89.5Confident35 Ų3543.5 Ų43.514%0.13723%0.232CC..EExtended strand (participates in β ladder)trans-94.9116.1177.1-67.1-96.2000109.6Q174 Y175 M177 K204 S242 V267Q174-Y206 HydrophobicContact CG-CD2 3.86Å; Q174-Y206 HydrophobicContact CG-CE2 3.77Å; Y175-Y206 PolarHBondContact O-N 3.47Å; M177-Y206 PolarHBondContact N-O 2.79Å; K204-Y206 HydrophobicContact CB-CD2 4.45Å; K204-Y206 HydrophobicContact CB-CE2 3.82Å; Y206-S242 PolarHBondContact OH-OG 3.44Å; Y206-V267 HydrophobicContact CD1-CB 4.45Å; Y206-V267 HydrophobicContact CD1-CG1 4.25Å; Y206-V267 HydrophobicContact CD1-CG2 3.35Å; Y206-V267 HydrophobicContact CE1-CG1 4.16Å; Y206-V267 HydrophobicContact CE1-CG2 3.56Å; Y206-V267 HydrophobicContact CG-CG2 4.16Å
207I96.9Very high90.3Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-101.1113.6-178.2-43.1-169.2000107.7M177 V184 I215 L217 L265 G266 I268 F285M177-I207 HydrophobicContact CE-CB 4.45Å; M177-I207 HydrophobicContact CE-CD1 3.78Å; M177-I207 HydrophobicContact CE-CG1 3.57Å; M177-I207 HydrophobicContact CE-CG2 4.46Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å; I207-I215 HydrophobicContact CB-CD1 4.11Å; I207-I215 HydrophobicContact CG2-CD1 4Å; I207-I215 HydrophobicContact CG2-CG2 4.43Å; I207-L217 HydrophobicContact CD1-CD2 3.84Å; I207-L265 WeakPolarHBondContact O-CA 3.36Å; I207-G266 PolarHBondContact N-O 2.96Å; I207-G266 PolarHBondContact O-N 2.84Å; I207-I268 HydrophobicContact CD1-CD1 3.98Å; I207-I268 HydrophobicContact CD1-CG1 4.22Å; I207-F285 HydrophobicContact CD1-CB 4.06Å; I207-F285 HydrophobicContact CD1-CD1 4.17Å; I207-F285 HydrophobicContact CD1-CG 4.17Å; I207-F285 HydrophobicContact CG2-CB 4.4Å; I207-F285 HydrophobicContact CG2-CD1 4.17Å; I207-F285 HydrophobicContact CG2-CD2 3.58Å; I207-F285 HydrophobicContact CG2-CE1 4.34Å; I207-F285 HydrophobicContact CG2-CE2 3.78Å; I207-F285 HydrophobicContact CG2-CG 3.8Å; I207-F285 HydrophobicContact CG2-CZ 4.16Å
208R95.4Very high91.1Very high99 Ų9942.3 Ų42.337%0.37421%0.208SC..EExtended strand (participates in β ladder)trans-107.6106.3176.8-76.5-174.2-72-83.77.1110.3D176 M177 V178 L265D176-R208 IonicContact OD1-CZ 2.74Å; D176-R208 IonicContact OD1-NH1 2.73Å; D176-R208 PolarHBondContact OD1-NH1 2.9Å; D176-R208 IonicContact OD1-NH2 3.18Å; D176-R208 PolarHBondContact OD1-NH2 3.06Å; M177-R208 PolarHBondContact O-N 3.15Å; V178-R208 HydrophobicContact CG2-CB 4.3Å; R208-L265 HydrophobicContact CG-CD1 3.38Å
209A93.6Very high91.8Very high13 Ų1339 Ų3911%0.10719%0.185CC..PPolyproline II helixtrans-78.3155174.300000111.3S213 I215 T264 T287A209-S213 WeakPolarHBondContact CB-OG 3.39Å; A209-I215 HydrophobicContact CB-CD1 4.17Å; A209-I215 HydrophobicContact CB-CG1 3.71Å; A209-T264 WeakPolarHBondContact CB-O 3.22Å; A209-T264 PolarHBondContact N-O 2.89Å; A209-T287 HydrophobicContact CB-CG2 3.64Å
210P90.8Very high92.4Very high59 Ų5937.7 Ų37.738%0.38318%0.181SC..PPolyproline II helixtrans-53.4153.5170.2-27.835.2000113.7S213P210-S213 VanDerWaalsContact CD-OG 3.29Å; P210-S213 WeakPolarHBondContact CD-OG 3.43Å; P210-S213 PolarHBondContact O-N 2.72Å; P210-S213 VanDerWaalsContact O-N 3.09Å; P210-S213 PolarHBondContact O-OG 2.67Å
211P88.5Confident92.8Very high118 Ų11839.1 Ų39.177%0.76619%0.187SC*.THydrogen-bonded Turntrans-52.4142.5172.8-24.834.4000112S213P211-S213 PolarHBondContact O-N 2.74Å
212R87.1Confident93.1Very high192 Ų19240.1 Ų40.173%0.72519%0.191SC*.THydrogen-bonded Turntrans64.32.2-174.5-60.917549.7-173.8-14.3116.5
213S91.6Very high93.2Very high7 Ų744 Ų445%0.04921%0.208CC..  trans-99.9157172.472.60000113A209 P210 P211 T264 Y288A209-S213 WeakPolarHBondContact CB-OG 3.39Å; P210-S213 VanDerWaalsContact CD-OG 3.29Å; P210-S213 WeakPolarHBondContact CD-OG 3.43Å; P210-S213 PolarHBondContact O-N 2.72Å; P210-S213 VanDerWaalsContact O-N 3.09Å; P210-S213 PolarHBondContact O-OG 2.67Å; P211-S213 PolarHBondContact O-N 2.74Å; S213-T264 VanDerWaalsContact O-CG2 3.3Å; S213-T264 WeakPolarHBondContact O-CG2 3.41Å; S213-Y288 CarbonylContact C-O 3.54Å; S213-Y288 VanDerWaalsContact CA-O 3.24Å; S213-Y288 WeakPolarHBondContact CA-O 3.14Å; S213-Y288 WeakPolarHBondContact CB-O 3.06Å
214K93.8Very high93.2Very high39 Ų3944.5 Ų44.517%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-113.5164.8177.8-69.2-172.5-177.5-175.60109.5L261 T287 Y288 E290K214-L261 WeakPolarHBondContact CB-O 3.49Å; K214-T287 CarbonylContact O-C 3.52Å; K214-T287 VanDerWaalsContact O-CA 3.28Å; K214-T287 WeakPolarHBondContact O-CA 3.23Å; K214-Y288 HydrophobicContact CB-CD1 4.02Å; K214-Y288 HydrophobicContact CB-CD2 4.39Å; K214-Y288 HydrophobicContact CB-CE1 3.48Å; K214-Y288 VanDerWaalsContact CB-CE1 3.48Å; K214-Y288 HydrophobicContact CB-CE2 3.91Å; K214-Y288 HydrophobicContact CB-CG 4.44Å; K214-Y288 VanDerWaalsContact CB-CZ 3.42Å; K214-Y288 HydrophobicContact CD-CE2 4.19Å; K214-Y288 PolarHBondContact N-O 2.99Å; K214-Y288 WeakPolarHBondContact O-CD1 3.28Å; K214-Y288 PolarHBondContact O-N 3.21Å; K214-E290 HydrophobicContact CD-CG 4.41Å; K214-E290 WeakPolarHBondContact CE-OE2 3.28Å; K214-E290 IonicContact NZ-OE1 2.77Å; K214-E290 PolarHBondContact NZ-OE1 2.87Å; K214-E290 IonicContact NZ-OE2 2.73Å; K214-E290 PolarHBondContact NZ-OE2 2.67Å
215I96Very high92.8Very high0 Ų044.9 Ų44.90%022%0.221CC..EExtended strand (participates in β ladder)trans-112.5120.3-176.8-55.3162.3000109.9I207 A209 L217 L261 F285I207-I215 HydrophobicContact CB-CD1 4.11Å; I207-I215 HydrophobicContact CG2-CD1 4Å; I207-I215 HydrophobicContact CG2-CG2 4.43Å; A209-I215 HydrophobicContact CB-CD1 4.17Å; A209-I215 HydrophobicContact CB-CG1 3.71Å; I215-L217 HydrophobicContact CG2-CD2 3.63Å; I215-L217 HydrophobicContact CG2-CG 4.03Å; I215-L261 HydrophobicContact CB-CB 4.14Å; I215-L261 HydrophobicContact CB-CD1 4.2Å; I215-L261 HydrophobicContact CB-CG 4.45Å; I215-L261 HydrophobicContact CD1-CD1 4.4Å; I215-L261 HydrophobicContact CG2-CD1 4.38Å; I215-L261 PolarHBondContact N-O 2.83Å; I215-L261 PolarHBondContact O-N 3.12Å; I215-F285 HydrophobicContact CG2-CB 4.15Å
216Y95.9Very high91.9Very high8 Ų849.2 Ų49.23%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-89.9133162.9178.6-133.1000108.8R218 D258 M260 F285 T286 M304 N317 V319Y216-R218 HydrophobicContact CE1-CB 4.13Å; Y216-D258 HydrophobicContact CE2-CB 3.93Å; Y216-D258 PolarHBondContact OH-OD2 2.77Å; Y216-M260 HydrophobicContact CD2-CE 4.47Å; Y216-M260 HydrophobicContact CD2-CG 4.38Å; Y216-M260 HydrophobicContact CD2-SD 3.42Å; Y216-M260 WeakPolarHBondContact CD2-SD 3.43Å; Y216-M260 HydrophobicContact CE2-SD 4.3Å; Y216-M260 HydrophobicContact CG-SD 3.93Å; Y216-F285 CarbonylContact O-C 3.45Å; Y216-F285 VanDerWaalsContact O-CA 3.32Å; Y216-F285 WeakPolarHBondContact O-CA 3.37Å; Y216-T286 PolarHBondContact N-O 2.75Å; Y216-T286 PolarHBondContact O-N 3.42Å; Y216-M304 HydrophobicContact CD1-CE 3.84Å; Y216-M304 HydrophobicContact CG-CE 4.24Å; Y216-N317 WeakPolarHBondContact CD1-O 3.14Å; Y216-V319 HydrophobicContact CE1-CG2 4.35Å; Y216-V319 HydrophobicContact CE2-CG2 4.11Å
217L96.8Very high90.7Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-118.7122.2176.5-63-179.8000109.7I207 I215 V237 D258 I259 L261 I268 I283 F285I207-L217 HydrophobicContact CD1-CD2 3.84Å; I215-L217 HydrophobicContact CG2-CD2 3.63Å; I215-L217 HydrophobicContact CG2-CG 4.03Å; L217-V237 HydrophobicContact CD1-CG1 3.47Å; L217-V237 VanDerWaalsContact CD1-CG1 3.47Å; L217-D258 CarbonylContact O-C 3.57Å; L217-D258 VanDerWaalsContact O-CA 3.3Å; L217-D258 WeakPolarHBondContact O-CA 3.26Å; L217-D258 WeakPolarHBondContact O-CB 3.36Å; L217-I259 HydrophobicContact CB-CB 4.35Å; L217-I259 PolarHBondContact N-O 3.34Å; L217-I259 PolarHBondContact O-N 2.83Å; L217-L261 HydrophobicContact CD1-CD1 3.78Å; L217-L261 HydrophobicContact CD1-CG 4.16Å; L217-L261 HydrophobicContact CG-CD1 4.32Å; L217-I268 HydrophobicContact CD1-CD1 4.11Å; L217-I268 HydrophobicContact CD1-CG1 4.37Å; L217-I268 HydrophobicContact CD2-CD1 4.26Å; L217-I283 HydrophobicContact CB-CG2 4.16Å; L217-I283 HydrophobicContact CD2-CG2 4.26Å; L217-F285 HydrophobicContact CD2-CB 3.48Å; L217-F285 VanDerWaalsContact CD2-CB 3.48Å
218R95.2Very high89.3Confident54 Ų5450.7 Ų50.720%0.20426%0.255CS..EExtended strand (participates in β ladder)trans-118.7124.1-177.2-178.4171.4-163.6-155.63.2111.9Y216 L220 D258 I283 L284 Q316Y216-R218 HydrophobicContact CE1-CB 4.13Å; R218-L220 HydrophobicContact CG-CD2 4.27Å; R218-L220 PolarHBondContact O-N 3.24Å; R218-D258 VanDerWaalsContact CA-OD1 3.25Å; R218-D258 WeakPolarHBondContact CA-OD1 3.45Å; R218-D258 IonicContact NE-OD2 2.76Å; R218-I283 CarbonylContact O-C 3.54Å; R218-I283 VanDerWaalsContact O-CA 3.32Å; R218-I283 WeakPolarHBondContact O-CA 3.43Å; R218-L284 HydrophobicContact CB-CB 4.34Å; R218-L284 PolarHBondContact N-O 2.66Å; R218-L284 PolarHBondContact O-N 2.96Å; R218-Q316 VanDerWaalsContact CZ-OE1 3.29Å; R218-Q316 VanDerWaalsContact NH1-CB 3.28Å; R218-Q316 VanDerWaalsContact NH1-CG 3.28Å; R218-Q316 PolarHBondContact NH1-O 2.96Å
219F94.9Very high88Confident24 Ų2455 Ų5511%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-85.495.4-179.4-70.7-97.6000110.1Y222 V237 F251 A256 N257 D258 I259 I283F219-Y222 HydrophobicContact CD1-CD2 4.17Å; F219-Y222 HydrophobicContact CD1-CG 4.35Å; F219-Y222 HydrophobicContact CE1-CD2 4.24Å; F219-V237 HydrophobicContact CZ-CG2 4.23Å; F219-F251 HydrophobicContact CE1-CD2 4.18Å; F219-F251 HydrophobicContact CE1-CE2 4.1Å; F219-F251 AromaticContact CE2-CE2 3.87Å; F219-F251 HydrophobicContact CE2-CE2 3.87Å; F219-F251 HydrophobicContact CE2-CZ 4.18Å; F219-F251 AromaticContact CZ-CD2 3.89Å; F219-F251 HydrophobicContact CZ-CD2 3.89Å; F219-F251 AromaticContact CZ-CE2 3.39Å; F219-F251 HydrophobicContact CZ-CE2 3.39Å; F219-F251 HydrophobicContact CZ-CZ 4.13Å; F219-A256 HydrophobicContact CB-CB 4.3Å; F219-A256 HydrophobicContact CD1-CB 3.38Å; F219-A256 HydrophobicContact CD2-CB 4.09Å; F219-A256 HydrophobicContact CE1-CB 3.59Å; F219-A256 HydrophobicContact CE2-CB 4.3Å; F219-A256 HydrophobicContact CG-CB 3.65Å; F219-A256 HydrophobicContact CZ-CB 4.07Å; F219-N257 VanDerWaalsContact CD2-O 3.25Å; F219-N257 WeakPolarHBondContact CD2-O 3.33Å; F219-N257 WeakPolarHBondContact CE2-O 3.47Å; F219-D258 PolarHBondContact N-OD1 3.48Å; F219-I259 HydrophobicContact CE2-CD1 4.17Å; F219-I259 HydrophobicContact CE2-CG1 4.49Å; F219-I283 HydrophobicContact CD1-CD1 3.94Å; F219-I283 HydrophobicContact CD1-CG1 3.59Å; F219-I283 HydrophobicContact CE1-CD1 3.35Å; F219-I283 HydrophobicContact CE1-CG1 3.57Å; F219-I283 HydrophobicContact CG-CG1 4.26Å; F219-I283 HydrophobicContact CZ-CD1 3.83Å; F219-I283 HydrophobicContact CZ-CG1 4.19Å
220L93.3Very high87Confident63 Ų6355.5 Ų55.533%0.3328%0.282SS..EExtended strand (participates in β ladder)trans-71.3-34.7175.6-58.4-178.1000111.7R218 R282 L284R218-L220 HydrophobicContact CG-CD2 4.27Å; R218-L220 PolarHBondContact O-N 3.24Å; L220-R282 HydrophobicContact CB-CB 4.36Å; L220-R282 PolarHBondContact N-O 3.21Å; L220-L284 HydrophobicContact CD1-CB 4.03Å; L220-L284 HydrophobicContact CD2-CB 4.39Å; L220-L284 HydrophobicContact CG-CB 4.09Å
221D91.7Very high85.9Confident39 Ų3957.6 Ų57.621%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-149.6140.6174-63.8-97.6000109.3R280 F281 R282D221-R280 VanDerWaalsContact CG-CZ 3.49Å; D221-R280 IonicContact OD1-CZ 3.46Å; D221-R280 IonicContact OD1-NH1 2.67Å; D221-R280 PolarHBondContact OD1-NH1 2.84Å; D221-R280 IonicContact OD1-NH2 3.46Å; D221-R280 PolarHBondContact OD1-NH2 2.8Å; D221-R280 IonicContact OD2-CZ 3.41Å; D221-R280 IonicContact OD2-NH1 2.68Å; D221-R280 IonicContact OD2-NH2 2.67Å; D221-R280 PolarHBondContact OD2-NH2 2.83Å; D221-F281 CarbonylContact O-C 3.53Å; D221-F281 VanDerWaalsContact O-CA 3.24Å; D221-F281 WeakPolarHBondContact O-CA 3.41Å; D221-R282 HydrophobicContact CB-CB 4.21Å; D221-R282 PolarHBondContact N-O 3.12Å; D221-R282 VanDerWaalsContact N-O 3.16Å; D221-R282 PolarHBondContact O-N 3.48Å; D221-R282 IonicContact OD2-CZ 3.17Å; D221-R282 IonicContact OD2-NE 2.73Å; D221-R282 PolarHBondContact OD2-NE 2.85Å; D221-R282 IonicContact OD2-NH2 2.71Å; D221-R282 PolarHBondContact OD2-NH2 2.79Å
222Y92.4Very high85.1Confident22 Ų2255.3 Ų55.39%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-153.1123.8173.8-179.7-96000112.4F219 M224 V235 F251 C252 S253 T254 A256 R280 F281F219-Y222 HydrophobicContact CD1-CD2 4.17Å; F219-Y222 HydrophobicContact CD1-CG 4.35Å; F219-Y222 HydrophobicContact CE1-CD2 4.24Å; Y222-M224 WeakPolarHBondContact OH-CB 3.18Å; Y222-V235 HydrophobicContact CE2-CB 4Å; Y222-V235 HydrophobicContact CE2-CG2 3.81Å; Y222-F251 HydrophobicContact CE1-CB 3.96Å; Y222-F251 HydrophobicContact CE2-CB 4.01Å; Y222-F251 VanDerWaalsContact CZ-CB 3.49Å; Y222-F251 VanDerWaalsContact OH-CB 3.27Å; Y222-F251 WeakPolarHBondContact OH-CB 3.24Å; Y222-F251 PolarHBondContact OH-O 3.38Å; Y222-C252 WeakPolarHBondContact OH-CA 3.29Å; Y222-C252 PolarHBondContact OH-N 2.8Å; Y222-C252 VanDerWaalsContact OH-N 3.11Å; Y222-S253 WeakPolarHBondContact CE1-O 3.16Å; Y222-T254 CarbonylContact O-C 3.31Å; Y222-T254 VanDerWaalsContact O-O 3.07Å; Y222-A256 HydrophobicContact CD1-CB 3.72Å; Y222-A256 HydrophobicContact CD2-CB 4.09Å; Y222-A256 HydrophobicContact CE1-CB 4.23Å; Y222-A256 HydrophobicContact CG-CB 3.64Å; Y222-R280 CarbonylContact C-O 3.6Å; Y222-F281 HydrophobicContact CD2-CB 3.84Å
223E89.4Confident84.9Confident114 Ų11446.2 Ų46.253%0.53323%0.227SC..EExtended strand (participates in β ladder)trans-150121.2173.3-176.8-177.5-170.600109S279 R280E223-S279 WeakPolarHBondContact O-CB 3.25Å; E223-R280 PolarHBondContact N-O 2.77Å; E223-R280 PolarHBondContact O-N 2.97Å; E223-R280 VanDerWaalsContact O-N 3.12Å
224M89.3Confident84.9Confident11 Ų1146.1 Ų46.15%0.05423%0.225CC..  trans-117.2124.3173.3-174.36366.400111.2Y222 S227 N233 V235 S253 M270 S279Y222-M224 WeakPolarHBondContact OH-CB 3.18Å; M224-S227 WeakPolarHBondContact CG-OG 3.45Å; M224-N233 HydrophobicContact CG-CB 4.04Å; M224-N233 HydrophobicContact SD-CB 3.88Å; M224-V235 HydrophobicContact CE-CG2 3.63Å; M224-S253 PolarHBondContact N-O 3.14Å; M224-M270 HydrophobicContact CE-CE 3.89Å; M224-M270 HydrophobicContact CE-CG 4.39Å; M224-S279 VanDerWaalsContact SD-CB 3.57Å; M224-S279 PolarHBondContact SD-OG 3.41Å; M224-S279 VanDerWaalsContact SD-OG 3.33Å
225A84.4Confident84.8Confident45 Ų4544.2 Ų44.237%0.37222%0.217SC..  trans-82.4155.2178.400000112.6S227 S276 S279A225-S227 VanDerWaalsContact C-N 3.29Å; A225-S227 PolarHBondContact O-N 2.94Å; A225-S227 VanDerWaalsContact O-N 3.08Å; A225-S276 PolarHBondContact O-OG 2.7Å; A225-S279 PolarHBondContact N-OG 3.34Å
226N77.1Confident84.6Confident91 Ų9144.3 Ų44.349%0.48722%0.218SC..SBendtrans50.538.2163.4-158.933.5000115.7N228 N233N226-N228 PolarHBondContact O-N 2.84Å; N226-N233 PolarHBondContact O-ND2 2.99Å
227S70.6Confident84.6Confident11 Ų1143.9 Ų43.98%0.07722%0.216CC..  trans-82.8-11.5-161.8-1050000118.2M224 A225 E229 C230 K231 N233 C252M224-S227 WeakPolarHBondContact CG-OG 3.45Å; A225-S227 VanDerWaalsContact C-N 3.29Å; A225-S227 PolarHBondContact O-N 2.94Å; A225-S227 VanDerWaalsContact O-N 3.08Å; S227-E229 PolarHBondContact O-N 3.01Å; S227-C230 CarbonylContact O-C 3.59Å; S227-C230 WeakPolarHBondContact O-CA 3.3Å; S227-C230 PolarHBondContact O-N 3.14Å; S227-K231 PolarHBondContact O-N 2.77Å; S227-N233 PolarHBondContact OG-O 3.47Å; S227-C252 WeakPolarHBondContact CB-O 3.36Å; S227-C252 WeakPolarHBondContact OG-CA 3.47Å; S227-C252 WeakPolarHBondContact OG-CB 3.12Å; S227-C252 PolarHBondContact OG-O 3.39Å
228N67.3Low84.5Confident56 Ų5644 Ų4430%0.29922%0.217SC..SBendtrans22.180.1-172.176-33.4000115N226 C230 K231 R232N226-N228 PolarHBondContact O-N 2.84Å; N228-C230 PolarHBondContact O-N 2.82Å; N228-K231 WeakPolarHBondContact O-CB 3.31Å; N228-K231 PolarHBondContact O-N 3.41Å; N228-R232 WeakPolarHBondContact OD1-CB 3.21Å; N228-R232 WeakPolarHBondContact OD1-CD 3.27Å; N228-R232 WeakPolarHBondContact OD1-CG 3.49Å; N228-R232 PolarHBondContact OD1-N 3.16Å
229E69.1Low84.5Confident188 Ų18842.2 Ų42.288%0.87921%0.211SC*.THydrogen-bonded Turntrans56.237.9175.5-57.8177.7-169.800113.5S227 K231S227-E229 PolarHBondContact O-N 3.01Å; E229-K231 PolarHBondContact O-N 2.79Å
230C72.7Confident84.2Confident24 Ų2441.5 Ų41.516%0.16221%0.21CC..THydrogen-bonded Turntrans649.7-176.3-56.50000114.8S227 N228 K250 C252S227-C230 CarbonylContact O-C 3.59Å; S227-C230 WeakPolarHBondContact O-CA 3.3Å; S227-C230 PolarHBondContact O-N 3.14Å; N228-C230 PolarHBondContact O-N 2.82Å; C230-K250 HydrophobicContact CB-CD 3.95Å; C230-K250 HydrophobicContact CB-CG 4.34Å; C230-K250 VanDerWaalsContact O-CE 3.25Å; C230-K250 WeakPolarHBondContact O-CE 3.37Å; C230-K250 PolarHBondContact O-NZ 3.33Å; C230-C252 VanDerWaalsContact CA-CB 3.46Å; C230-C252 WeakPolarHBondContact CA-SG 3.23Å; C230-C252 HydrophobicContact CB-CB 3.55Å; C230-C252 WeakPolarHBondContact CB-SG 3.3Å; C230-C252 PolarHBondContact N-SG 3.08Å; C230-C252 WeakPolarHBondContact SG-CB 3.16Å; C230-C252 CovalentContact SG-SG 2.02Å; C230-C252 PolarHBondContact SG-SG 3.39Å
231K66.9Low83.8Confident104 Ų10439.4 Ų39.445%0.45220%0.204SC..SBendtrans-73.1-59.2178.3-77.6-162.7170-161.90111.8S130 S227 N228 E229S130-K231 PolarHBondContact O-NZ 3.31Å; S130-K231 PolarHBondContact OG-NZ 3.24Å; S227-K231 PolarHBondContact O-N 2.77Å; N228-K231 WeakPolarHBondContact O-CB 3.31Å; N228-K231 PolarHBondContact O-N 3.41Å; E229-K231 PolarHBondContact O-N 2.79Å
232R70.9Confident83.3Confident70 Ų7038.6 Ų38.626%0.26420%0.202SC..SBendtrans-76.7-43.1-174.3-73.8171.41751570.3114.1D160 F161 N228 W271D160-R232 PolarHBondContact O-NH2 3.2Å; D160-R232 IonicContact OD2-NH2 2.72Å; F161-R232 HydrophobicContact CE1-CG 3.81Å; F161-R232 HydrophobicContact CZ-CB 4.49Å; F161-R232 HydrophobicContact CZ-CG 3.59Å; N228-R232 WeakPolarHBondContact OD1-CB 3.21Å; N228-R232 WeakPolarHBondContact OD1-CD 3.27Å; N228-R232 WeakPolarHBondContact OD1-CG 3.49Å; N228-R232 PolarHBondContact OD1-N 3.16Å; R232-W271 PolarHBondContact O-NE1 2.99Å
233N84.3Confident82.4Confident0 Ų038.5 Ų38.50%020%0.204CC..SBendtrans-136.6137.5-171.7-58.8-74.6000110.9M224 N226 S227 C252 W271 A272 D273 S276M224-N233 HydrophobicContact CG-CB 4.04Å; M224-N233 HydrophobicContact SD-CB 3.88Å; N226-N233 PolarHBondContact O-ND2 2.99Å; S227-N233 PolarHBondContact OG-O 3.47Å; N233-C252 WeakPolarHBondContact O-CB 3.49Å; N233-W271 WeakPolarHBondContact CA-O 3.35Å; N233-A272 VanDerWaalsContact OD1-CA 3.27Å; N233-A272 WeakPolarHBondContact OD1-CA 3.43Å; N233-D273 PolarHBondContact ND2-OD2 3.32Å; N233-D273 VanDerWaalsContact OD1-CG 3.28Å; N233-D273 PolarHBondContact OD1-N 3.34Å; N233-D273 PolarHBondContact OD1-OD2 3.28Å; N233-S276 PolarHBondContact ND2-OG 2.88Å; N233-S276 VanDerWaalsContact ND2-OG 3.14Å; N233-S276 VanDerWaalsContact OD1-CB 3.3Å; N233-S276 WeakPolarHBondContact OD1-CB 3.32Å; N233-S276 PolarHBondContact OD1-OG 3.01Å
234F90.4Very high81.4Confident5 Ų533.1 Ų33.12%0.02218%0.179CC..EExtended strand (participates in β ladder)trans-163159.5179.459.1-93.6000114.5A236 K250 F251 C252 W271F234-A236 HydrophobicContact CD2-CB 3.83Å; F234-A236 HydrophobicContact CE2-CB 3.91Å; F234-K250 HydrophobicContact CB-CD 4.42Å; F234-K250 HydrophobicContact CB-CG 3.94Å; F234-K250 HydrophobicContact CD2-CD 4.43Å; F234-K250 HydrophobicContact CD2-CG 4.13Å; F234-K250 HydrophobicContact CG-CD 4.28Å; F234-K250 HydrophobicContact CG-CG 4.14Å; F234-F251 CarbonylContact C-O 3.56Å; F234-F251 VanDerWaalsContact CA-O 3.23Å; F234-F251 WeakPolarHBondContact CA-O 3.1Å; F234-F251 WeakPolarHBondContact CB-O 3.34Å; F234-C252 HydrophobicContact CB-CB 4.4Å; F234-W271 HydrophobicContact CD1-CB 4.06Å; F234-W271 AromaticContact CD1-CD1 3.94Å; F234-W271 HydrophobicContact CD1-CG 4.4Å; F234-W271 HydrophobicContact CD2-CB 4.26Å; F234-W271 HydrophobicContact CE1-CB 3.64Å; F234-W271 AromaticContact CE1-CD1 3.54Å; F234-W271 AromaticContact CE1-CG 3.84Å; F234-W271 HydrophobicContact CE1-CG 3.84Å; F234-W271 HydrophobicContact CE2-CB 3.85Å; F234-W271 HydrophobicContact CG-CB 4.36Å; F234-W271 HydrophobicContact CZ-CB 3.53Å; F234-W271 HydrophobicContact CZ-CG 4.09Å; F234-W271 PolarHBondContact N-O 3.17Å; F234-W271 PolarHBondContact O-N 3.41Å
235V92.6Very high80.6Confident0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-109.4128.4155.8179.90000108.2Y222 M224 F251 I268 R269 M270 F281Y222-V235 HydrophobicContact CE2-CB 4Å; Y222-V235 HydrophobicContact CE2-CG2 3.81Å; M224-V235 HydrophobicContact CE-CG2 3.63Å; V235-F251 PolarHBondContact N-O 2.88Å; V235-F251 PolarHBondContact O-N 3.08Å; V235-I268 HydrophobicContact CG1-CG2 3.75Å; V235-R269 CarbonylContact C-O 3.57Å; V235-R269 VanDerWaalsContact CA-O 3.31Å; V235-R269 WeakPolarHBondContact CA-O 3.11Å; V235-M270 HydrophobicContact CG2-CG 4.48Å; V235-F281 HydrophobicContact CG2-CD1 3.61Å; V235-F281 HydrophobicContact CG2-CE1 3.53Å; V235-F281 HydrophobicContact CG2-CG 4.37Å; V235-F281 HydrophobicContact CG2-CZ 4.23Å
236A92Very high80.6Confident1 Ų138.3 Ų38.31%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-115.7143.7177.800000110.2F234 Y238 L247 S249 I268 R269F234-A236 HydrophobicContact CD2-CB 3.83Å; F234-A236 HydrophobicContact CE2-CB 3.91Å; A236-Y238 HydrophobicContact CB-CD2 4.49Å; A236-Y238 HydrophobicContact CB-CE2 3.68Å; A236-L247 HydrophobicContact CB-CD1 3.72Å; A236-S249 WeakPolarHBondContact CA-O 3.46Å; A236-I268 WeakPolarHBondContact O-CA 3.34Å; A236-R269 HydrophobicContact CB-CB 4.36Å; A236-R269 PolarHBondContact N-O 2.87Å; A236-R269 PolarHBondContact O-N 3.5Å
237V95.6Very high81.1Confident0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-122.5130.1-178.9176.70000109.2L217 F219 L247 K248 S249 F251 I259 L261 I268L217-V237 HydrophobicContact CD1-CG1 3.47Å; L217-V237 VanDerWaalsContact CD1-CG1 3.47Å; F219-V237 HydrophobicContact CZ-CG2 4.23Å; V237-L247 WeakPolarHBondContact O-CD1 3.27Å; V237-K248 WeakPolarHBondContact O-CA 3.15Å; V237-K248 VanDerWaalsContact O-CB 3.31Å; V237-K248 WeakPolarHBondContact O-CB 3.36Å; V237-K248 PolarHBondContact O-N 3.06Å; V237-S249 PolarHBondContact N-O 3.18Å; V237-S249 PolarHBondContact O-N 2.8Å; V237-F251 HydrophobicContact CG2-CE2 4.27Å; V237-I259 HydrophobicContact CB-CD1 3.92Å; V237-I259 HydrophobicContact CG1-CD1 3.87Å; V237-I259 HydrophobicContact CG2-CD1 3.97Å; V237-L261 HydrophobicContact CG1-CD1 4.49Å; V237-L261 HydrophobicContact CG1-CD2 3.95Å; V237-I268 HydrophobicContact CG2-CG1 4.45Å
238Y94.4Very high82.1Confident1 Ų139.1 Ų39.10%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-120.8135.2-174.4-58.4-104000111A236 G240 G241 S243 D246 L247 G266 V267 R269A236-Y238 HydrophobicContact CB-CD2 4.49Å; A236-Y238 HydrophobicContact CB-CE2 3.68Å; Y238-G240 PolarHBondContact O-N 2.83Å; Y238-G241 VanDerWaalsContact CB-O 3.23Å; Y238-G241 WeakPolarHBondContact CB-O 3.25Å; Y238-S243 WeakPolarHBondContact CD1-O 3.48Å; Y238-S243 VanDerWaalsContact CE1-O 3.29Å; Y238-S243 WeakPolarHBondContact CE1-O 3.22Å; Y238-D246 CarbonylContact C-O 3.54Å; Y238-D246 WeakPolarHBondContact CA-O 3.34Å; Y238-D246 HydrophobicContact CD1-CB 4.33Å; Y238-L247 HydrophobicContact CD1-CB 3.84Å; Y238-L247 HydrophobicContact CD1-CD1 4.15Å; Y238-L247 HydrophobicContact CD2-CD1 4.37Å; Y238-L247 HydrophobicContact CE1-CB 3.75Å; Y238-L247 HydrophobicContact CE1-CD1 3.94Å; Y238-L247 HydrophobicContact CE1-CG 4.28Å; Y238-L247 HydrophobicContact CE2-CD1 4.14Å; Y238-L247 HydrophobicContact CG-CD1 4.38Å; Y238-G266 WeakPolarHBondContact O-CA 3.27Å; Y238-V267 HydrophobicContact CD2-CB 4.35Å; Y238-V267 WeakPolarHBondContact CD2-O 3.49Å; Y238-V267 PolarHBondContact N-O 3.08Å; Y238-V267 PolarHBondContact O-N 3.5Å; Y238-R269 HydrophobicContact CE2-CB 3.74Å; Y238-R269 PolarHBondContact OH-NH1 3.25Å
239D94.4Very high83.1Confident18 Ų1837.8 Ų37.810%0.09619%0.19CC..SBendtrans-97.450.3-176.5-164.7-5.7000111.7D246 K248 L261 V262 S263D239-D246 PolarHBondContact N-O 2.74Å; D239-K248 HydrophobicContact CB-CB 4.26Å; D239-K248 HydrophobicContact CB-CD 4Å; D239-K248 HydrophobicContact CB-CG 4.44Å; D239-K248 WeakPolarHBondContact OD2-CE 3.4Å; D239-K248 IonicContact OD2-NZ 3.92Å; D239-K248 PolarHBondContact OD2-NZ 2.8Å; D239-L261 HydrophobicContact CB-CD2 3.82Å; D239-L261 WeakPolarHBondContact OD1-CA 3.42Å; D239-L261 WeakPolarHBondContact OD1-CB 3.42Å; D239-V262 VanDerWaalsContact CG-N 3.32Å; D239-V262 PolarHBondContact OD1-N 2.89Å; D239-V262 PolarHBondContact OD2-N 3.34Å; D239-V262 VanDerWaalsContact OD2-N 3.12Å; D239-S263 VanDerWaalsContact O-CB 3.27Å; D239-S263 WeakPolarHBondContact O-CB 3.05Å; D239-S263 PolarHBondContact O-OG 2.79Å; D239-S263 WeakPolarHBondContact OD1-CB 3.12Å; D239-S263 PolarHBondContact OD1-N 3.03Å
240G90.3Very high84.1Confident8 Ų832.6 Ų32.68%0.08217%0.165CC..SBendtrans165.4-126.7-170.900000110.6Y238 L265Y238-G240 PolarHBondContact O-N 2.83Å; G240-L265 WeakPolarHBondContact CA-O 3.3Å; G240-L265 PolarHBondContact N-O 2.87Å; G240-L265 VanDerWaalsContact N-O 3.14Å; G240-L265 CarbonylContact O-C 3.44Å; G240-L265 VanDerWaalsContact O-CD2 3.3Å; G240-L265 WeakPolarHBondContact O-CD2 3.22Å; G240-L265 WeakPolarHBondContact O-CG 3.49Å
241G84.9Confident84.9Confident20 Ų2032.7 Ų32.721%0.20616%0.163CC..SBendtrans-81.5-145.6173.700000113.9Y238 D246 V267Y238-G241 VanDerWaalsContact CB-O 3.23Å; Y238-G241 WeakPolarHBondContact CB-O 3.25Å; G241-D246 WeakPolarHBondContact CA-OD2 3.3Å; G241-D246 PolarHBondContact N-OD2 3.2Å; G241-V267 WeakPolarHBondContact O-CB 3.39Å; G241-V267 WeakPolarHBondContact O-CG2 3.31Å
242S80.4Confident85.9Confident22 Ų2229 Ų2915%0.15415%0.149CC..SBendtrans-122.924.4176.569.90000113.5K47 Y206K47-S242 PolarHBondContact NZ-O 3.25Å; Y206-S242 PolarHBondContact OH-OG 3.44Å
243S74.4Confident86.5Confident19 Ų1928.2 Ų28.213%0.13316%0.155CC..SBendtrans-75.7154.4158.327.80000109.8Y238 E245 D246Y238-S243 WeakPolarHBondContact CD1-O 3.48Å; Y238-S243 VanDerWaalsContact CE1-O 3.29Å; Y238-S243 WeakPolarHBondContact CE1-O 3.22Å; S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 WeakPolarHBondContact CB-OE1 2.97Å; S243-E245 PolarHBondContact O-N 2.64Å; S243-E245 PolarHBondContact OG-OE1 2.87Å; S243-D246 PolarHBondContact O-N 3.09Å; S243-D246 PolarHBondContact OG-OD2 3.43Å
244V68.4Low86.5Confident1 Ų133.2 Ų33.21%0.00619%0.186CC..G310 helixtrans-83.7-3.8-175.8-148.80000113.1W45 P108 F109 Y133 D246 L247W45-V244 HydrophobicContact CH2-CB 3.59Å; W45-V244 HydrophobicContact CH2-CG2 3.69Å; W45-V244 HydrophobicContact CZ2-CB 4.48Å; W45-V244 VanDerWaalsContact CZ2-N 3.31Å; W45-V244 HydrophobicContact CZ3-CB 4.26Å; W45-V244 HydrophobicContact CZ3-CG2 3.82Å; P108-V244 HydrophobicContact CB-CB 3.93Å; P108-V244 HydrophobicContact CB-CG1 3.6Å; P108-V244 HydrophobicContact CB-CG2 4.2Å; P108-V244 HydrophobicContact CG-CG1 3.73Å; F109-V244 HydrophobicContact CE1-CG1 4.28Å; F109-V244 HydrophobicContact CZ-CG1 4.45Å; Y133-V244 HydrophobicContact CD1-CG2 4.43Å; Y133-V244 HydrophobicContact CE1-CG2 3.83Å; V244-D246 VanDerWaalsContact C-N 3.31Å; V244-L247 HydrophobicContact CB-CB 4.49Å; V244-L247 HydrophobicContact CG1-CB 3.61Å; V244-L247 HydrophobicContact CG1-CD2 3.37Å; V244-L247 HydrophobicContact CG1-CG 4.1Å; V244-L247 WeakPolarHBondContact O-CB 3.18Å; V244-L247 PolarHBondContact O-N 3.07Å
245E71.5Confident86.2Confident122 Ų12237.4 Ų37.457%0.5721%0.212SC*.G310 helixtrans-64.3-37.8164.768-148.6153.800111.5W45 S243 L247W45-E245 HydrophobicContact CZ2-CB 4Å; W45-E245 HydrophobicContact CZ2-CG 4.19Å; W45-E245 PolarHBondContact NE1-OE1 2.7Å; W45-E245 PolarHBondContact NE1-OE2 3.2Å; S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 WeakPolarHBondContact CB-OE1 2.97Å; S243-E245 PolarHBondContact O-N 2.64Å; S243-E245 PolarHBondContact OG-OE1 2.87Å; E245-L247 PolarHBondContact O-N 3.41Å
246D84.6Confident86.1Confident43 Ų4338.1 Ų38.123%0.2322%0.217CC..G310 helixtrans-79.3-4.7178.3-62.3-36.4000112.3Y238 D239 G241 S243 V244 K248Y238-D246 CarbonylContact C-O 3.54Å; Y238-D246 WeakPolarHBondContact CA-O 3.34Å; Y238-D246 HydrophobicContact CD1-CB 4.33Å; D239-D246 PolarHBondContact N-O 2.74Å; G241-D246 WeakPolarHBondContact CA-OD2 3.3Å; G241-D246 PolarHBondContact N-OD2 3.2Å; S243-D246 PolarHBondContact O-N 3.09Å; S243-D246 PolarHBondContact OG-OD2 3.43Å; V244-D246 VanDerWaalsContact C-N 3.31Å; D246-K248 PolarHBondContact O-N 2.73Å
247L87.6Confident86.1Confident22 Ų2243.7 Ų43.712%0.11525%0.247CC..EExtended strand (participates in β ladder)trans-67.597-173179.852.6000111.4F109 A236 V237 Y238 V244 E245 S249F109-L247 HydrophobicContact CE1-CB 4.09Å; F109-L247 HydrophobicContact CE1-CD2 4.3Å; F109-L247 HydrophobicContact CE1-CG 4.34Å; F109-L247 HydrophobicContact CE2-CD2 4.31Å; F109-L247 HydrophobicContact CZ-CB 4.09Å; F109-L247 HydrophobicContact CZ-CD2 3.57Å; F109-L247 HydrophobicContact CZ-CG 3.82Å; A236-L247 HydrophobicContact CB-CD1 3.72Å; V237-L247 WeakPolarHBondContact O-CD1 3.27Å; Y238-L247 HydrophobicContact CD1-CB 3.84Å; Y238-L247 HydrophobicContact CD1-CD1 4.15Å; Y238-L247 HydrophobicContact CD2-CD1 4.37Å; Y238-L247 HydrophobicContact CE1-CB 3.75Å; Y238-L247 HydrophobicContact CE1-CD1 3.94Å; Y238-L247 HydrophobicContact CE1-CG 4.28Å; Y238-L247 HydrophobicContact CE2-CD1 4.14Å; Y238-L247 HydrophobicContact CG-CD1 4.38Å; V244-L247 HydrophobicContact CB-CB 4.49Å; V244-L247 HydrophobicContact CG1-CB 3.61Å; V244-L247 HydrophobicContact CG1-CD2 3.37Å; V244-L247 HydrophobicContact CG1-CG 4.1Å; V244-L247 WeakPolarHBondContact O-CB 3.18Å; V244-L247 PolarHBondContact O-N 3.07Å; E245-L247 PolarHBondContact O-N 3.41Å; L247-S249 WeakPolarHBondContact CD1-O 3.48Å
248K90.6Very high86Confident98 Ų9847 Ų4743%0.42627%0.265SS..EExtended strand (participates in β ladder)trans-71.4-41.6-178.1-16469.9162-153.50112.5V237 D239 D246 I259 M260 L261V237-K248 WeakPolarHBondContact O-CA 3.15Å; V237-K248 VanDerWaalsContact O-CB 3.31Å; V237-K248 WeakPolarHBondContact O-CB 3.36Å; V237-K248 PolarHBondContact O-N 3.06Å; D239-K248 HydrophobicContact CB-CB 4.26Å; D239-K248 HydrophobicContact CB-CD 4Å; D239-K248 HydrophobicContact CB-CG 4.44Å; D239-K248 WeakPolarHBondContact OD2-CE 3.4Å; D239-K248 IonicContact OD2-NZ 3.92Å; D239-K248 PolarHBondContact OD2-NZ 2.8Å; D246-K248 PolarHBondContact O-N 2.73Å; K248-I259 HydrophobicContact CG-CG2 3.96Å; K248-M260 WeakPolarHBondContact CE-O 3.21Å; K248-L261 HydrophobicContact CB-CD2 4.32Å; K248-L261 HydrophobicContact CG-CD2 4.09Å
249S90.1Very high86.1Confident27 Ų2747.8 Ų47.819%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-161.2161179.372.50000113.2A236 V237 L247 F251 I259A236-S249 WeakPolarHBondContact CA-O 3.46Å; V237-S249 PolarHBondContact N-O 3.18Å; V237-S249 PolarHBondContact O-N 2.8Å; L247-S249 WeakPolarHBondContact CD1-O 3.48Å; S249-F251 WeakPolarHBondContact OG-CE2 3.22Å; S249-I259 WeakPolarHBondContact OG-CD1 3.3Å
250K88.6Confident86.1Confident79 Ų7950.1 Ų50.134%0.34328%0.28SS..EExtended strand (participates in β ladder)trans-134.7126.7175.5-167.2-179.4-175.2-168.30109.2C230 F234C230-K250 HydrophobicContact CB-CD 3.95Å; C230-K250 HydrophobicContact CB-CG 4.34Å; C230-K250 VanDerWaalsContact O-CE 3.25Å; C230-K250 WeakPolarHBondContact O-CE 3.37Å; C230-K250 PolarHBondContact O-NZ 3.33Å; F234-K250 HydrophobicContact CB-CD 4.42Å; F234-K250 HydrophobicContact CB-CG 3.94Å; F234-K250 HydrophobicContact CD2-CD 4.43Å; F234-K250 HydrophobicContact CD2-CG 4.13Å; F234-K250 HydrophobicContact CG-CD 4.28Å; F234-K250 HydrophobicContact CG-CG 4.14Å
251F90.9Very high86.3Confident26 Ų2649.8 Ų49.811%0.11428%0.276CS..EExtended strand (participates in β ladder)trans-115.7141.1-179.7-57.1-74.1000110.5F219 Y222 F234 V235 V237 S249 A256 I259F219-F251 HydrophobicContact CE1-CD2 4.18Å; F219-F251 HydrophobicContact CE1-CE2 4.1Å; F219-F251 AromaticContact CE2-CE2 3.87Å; F219-F251 HydrophobicContact CE2-CE2 3.87Å; F219-F251 HydrophobicContact CE2-CZ 4.18Å; F219-F251 AromaticContact CZ-CD2 3.89Å; F219-F251 HydrophobicContact CZ-CD2 3.89Å; F219-F251 AromaticContact CZ-CE2 3.39Å; F219-F251 HydrophobicContact CZ-CE2 3.39Å; F219-F251 HydrophobicContact CZ-CZ 4.13Å; Y222-F251 HydrophobicContact CE1-CB 3.96Å; Y222-F251 HydrophobicContact CE2-CB 4.01Å; Y222-F251 VanDerWaalsContact CZ-CB 3.49Å; Y222-F251 VanDerWaalsContact OH-CB 3.27Å; Y222-F251 WeakPolarHBondContact OH-CB 3.24Å; Y222-F251 PolarHBondContact OH-O 3.38Å; F234-F251 CarbonylContact C-O 3.56Å; F234-F251 VanDerWaalsContact CA-O 3.23Å; F234-F251 WeakPolarHBondContact CA-O 3.1Å; F234-F251 WeakPolarHBondContact CB-O 3.34Å; V235-F251 PolarHBondContact N-O 2.88Å; V235-F251 PolarHBondContact O-N 3.08Å; V237-F251 HydrophobicContact CG2-CE2 4.27Å; S249-F251 WeakPolarHBondContact OG-CE2 3.22Å; F251-A256 HydrophobicContact CB-CB 4.33Å; F251-A256 HydrophobicContact CD1-CB 3.55Å; F251-A256 HydrophobicContact CD2-CB 3.98Å; F251-A256 HydrophobicContact CE1-CB 3.67Å; F251-A256 HydrophobicContact CE2-CB 4.07Å; F251-A256 HydrophobicContact CG-CB 3.7Å; F251-A256 HydrophobicContact CZ-CB 3.91Å; F251-I259 HydrophobicContact CE2-CD1 3.74Å; F251-I259 HydrophobicContact CZ-CD1 3.85Å; F251-I259 HydrophobicContact CZ-CG1 4.49Å
252C87.9Confident86.7Confident26 Ų2653.1 Ų53.118%0.17629%0.292CS..  trans-158.238.9-175.165.80000112.4Y222 S227 C230 N233 F234Y222-C252 WeakPolarHBondContact OH-CA 3.29Å; Y222-C252 PolarHBondContact OH-N 2.8Å; Y222-C252 VanDerWaalsContact OH-N 3.11Å; S227-C252 WeakPolarHBondContact CB-O 3.36Å; S227-C252 WeakPolarHBondContact OG-CA 3.47Å; S227-C252 WeakPolarHBondContact OG-CB 3.12Å; S227-C252 PolarHBondContact OG-O 3.39Å; C230-C252 VanDerWaalsContact CA-CB 3.46Å; C230-C252 WeakPolarHBondContact CA-SG 3.23Å; C230-C252 HydrophobicContact CB-CB 3.55Å; C230-C252 WeakPolarHBondContact CB-SG 3.3Å; C230-C252 PolarHBondContact N-SG 3.08Å; C230-C252 WeakPolarHBondContact SG-CB 3.16Å; C230-C252 CovalentContact SG-SG 2.02Å; C230-C252 PolarHBondContact SG-SG 3.39Å; N233-C252 WeakPolarHBondContact O-CB 3.49Å; F234-C252 HydrophobicContact CB-CB 4.4Å
253S82.4Confident87.3Confident54 Ų5454.1 Ų54.138%0.37830%0.3SS..SBendtrans-142.5-158-169.668.20000111Y222 M224 V255Y222-S253 WeakPolarHBondContact CE1-O 3.16Å; M224-S253 PolarHBondContact N-O 3.14Å; S253-V255 PolarHBondContact OG-N 2.95Å; S253-V255 PolarHBondContact OG-O 2.85Å
254T84.1Confident88.2Confident105 Ų10556.6 Ų56.664%0.64431%0.314SS*.SBendtrans-96.40.5174.852.60000114.1Y222Y222-T254 CarbonylContact O-C 3.31Å; Y222-T254 VanDerWaalsContact O-O 3.07Å
255V83.6Confident89.4Confident94 Ų9458.8 Ų58.857%0.5733%0.325SS*.  trans-145137.3-179.2-174.50000110.4S253S253-V255 PolarHBondContact OG-N 2.95Å; S253-V255 PolarHBondContact OG-O 2.85Å
256A91.3Very high90.6Very high14 Ų1453 Ų5312%0.11630%0.298CS..  trans-125.8151.2169.800000109.6F219 Y222 F251F219-A256 HydrophobicContact CB-CB 4.3Å; F219-A256 HydrophobicContact CD1-CB 3.38Å; F219-A256 HydrophobicContact CD2-CB 4.09Å; F219-A256 HydrophobicContact CE1-CB 3.59Å; F219-A256 HydrophobicContact CE2-CB 4.3Å; F219-A256 HydrophobicContact CG-CB 3.65Å; F219-A256 HydrophobicContact CZ-CB 4.07Å; Y222-A256 HydrophobicContact CD1-CB 3.72Å; Y222-A256 HydrophobicContact CD2-CB 4.09Å; Y222-A256 HydrophobicContact CE1-CB 4.23Å; Y222-A256 HydrophobicContact CG-CB 3.64Å; F251-A256 HydrophobicContact CB-CB 4.33Å; F251-A256 HydrophobicContact CD1-CB 3.55Å; F251-A256 HydrophobicContact CD2-CB 3.98Å; F251-A256 HydrophobicContact CE1-CB 3.67Å; F251-A256 HydrophobicContact CE2-CB 4.07Å; F251-A256 HydrophobicContact CG-CB 3.7Å; F251-A256 HydrophobicContact CZ-CB 3.91Å
257N92.1Very high91.1Very high118 Ų11851 Ų5163%0.63129%0.288SS*.  trans-101.8148.6179.5-66.3-29000110.3F219F219-N257 VanDerWaalsContact CD2-O 3.25Å; F219-N257 WeakPolarHBondContact CD2-O 3.33Å; F219-N257 WeakPolarHBondContact CE2-O 3.47Å
258D94.3Very high91.5Very high71 Ų7150 Ų5038%0.3828%0.282SS..  trans-63147.6175.4-61.5-18.7000111.9Y216 L217 R218 F219Y216-D258 HydrophobicContact CE2-CB 3.93Å; Y216-D258 PolarHBondContact OH-OD2 2.77Å; L217-D258 CarbonylContact O-C 3.57Å; L217-D258 VanDerWaalsContact O-CA 3.3Å; L217-D258 WeakPolarHBondContact O-CA 3.26Å; L217-D258 WeakPolarHBondContact O-CB 3.36Å; R218-D258 VanDerWaalsContact CA-OD1 3.25Å; R218-D258 WeakPolarHBondContact CA-OD1 3.45Å; R218-D258 IonicContact NE-OD2 2.76Å; F219-D258 PolarHBondContact N-OD1 3.48Å
259I95.2Very high91.6Very high17 Ų1745.4 Ų45.49%0.08726%0.262CS..EExtended strand (participates in β ladder)trans-131.9137-169.8-63.3168000111.2L217 F219 V237 K248 S249 F251 L261L217-I259 HydrophobicContact CB-CB 4.35Å; L217-I259 PolarHBondContact N-O 3.34Å; L217-I259 PolarHBondContact O-N 2.83Å; F219-I259 HydrophobicContact CE2-CD1 4.17Å; F219-I259 HydrophobicContact CE2-CG1 4.49Å; V237-I259 HydrophobicContact CB-CD1 3.92Å; V237-I259 HydrophobicContact CG1-CD1 3.87Å; V237-I259 HydrophobicContact CG2-CD1 3.97Å; K248-I259 HydrophobicContact CG-CG2 3.96Å; S249-I259 WeakPolarHBondContact OG-CD1 3.3Å; F251-I259 HydrophobicContact CE2-CD1 3.74Å; F251-I259 HydrophobicContact CZ-CD1 3.85Å; F251-I259 HydrophobicContact CZ-CG1 4.49Å; I259-L261 HydrophobicContact CG2-CD2 3.57Å; I259-L261 HydrophobicContact CG2-CG 4.31Å
260M93.9Very high91.6Very high66 Ų6644.1 Ų44.133%0.32525%0.253SS..EExtended strand (participates in β ladder)trans-97.9123.6162.6-66-64.4-131.400110.3Y216 K248 Y288 M304 V319Y216-M260 HydrophobicContact CD2-CE 4.47Å; Y216-M260 HydrophobicContact CD2-CG 4.38Å; Y216-M260 HydrophobicContact CD2-SD 3.42Å; Y216-M260 WeakPolarHBondContact CD2-SD 3.43Å; Y216-M260 HydrophobicContact CE2-SD 4.3Å; Y216-M260 HydrophobicContact CG-SD 3.93Å; K248-M260 WeakPolarHBondContact CE-O 3.21Å; M260-Y288 HydrophobicContact CE-CD1 4.45Å; M260-Y288 HydrophobicContact CE-CE1 3.76Å; M260-Y288 HydrophobicContact CE-CE2 4.01Å; M260-Y288 HydrophobicContact SD-CD1 4.38Å; M260-Y288 HydrophobicContact SD-CE1 3.47Å; M260-Y288 WeakPolarHBondContact SD-CE1 3.14Å; M260-M304 HydrophobicContact CE-SD 4Å; M260-V319 HydrophobicContact CE-CG2 4.27Å
261L95.3Very high91.6Very high1 Ų140.7 Ų40.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-97.7138.9169.1-53.8-174.9000109.3K214 I215 L217 V237 D239 K248 I259K214-L261 WeakPolarHBondContact CB-O 3.49Å; I215-L261 HydrophobicContact CB-CB 4.14Å; I215-L261 HydrophobicContact CB-CD1 4.2Å; I215-L261 HydrophobicContact CB-CG 4.45Å; I215-L261 HydrophobicContact CD1-CD1 4.4Å; I215-L261 HydrophobicContact CG2-CD1 4.38Å; I215-L261 PolarHBondContact N-O 2.83Å; I215-L261 PolarHBondContact O-N 3.12Å; L217-L261 HydrophobicContact CD1-CD1 3.78Å; L217-L261 HydrophobicContact CD1-CG 4.16Å; L217-L261 HydrophobicContact CG-CD1 4.32Å; V237-L261 HydrophobicContact CG1-CD1 4.49Å; V237-L261 HydrophobicContact CG1-CD2 3.95Å; D239-L261 HydrophobicContact CB-CD2 3.82Å; D239-L261 WeakPolarHBondContact OD1-CA 3.42Å; D239-L261 WeakPolarHBondContact OD1-CB 3.42Å; K248-L261 HydrophobicContact CB-CD2 4.32Å; K248-L261 HydrophobicContact CG-CD2 4.09Å; I259-L261 HydrophobicContact CG2-CD2 3.57Å; I259-L261 HydrophobicContact CG2-CG 4.31Å
262V92.9Very high91.4Very high90 Ų9039.5 Ų39.555%0.54523%0.233SC..  trans-89.9-25.8-179.8-176.50000111.5D239D239-V262 VanDerWaalsContact CG-N 3.32Å; D239-V262 PolarHBondContact OD1-N 2.89Å; D239-V262 PolarHBondContact OD2-N 3.34Å; D239-V262 VanDerWaalsContact OD2-N 3.12Å
263S93.4Very high91.2Very high44 Ų4438.8 Ų38.831%0.30823%0.227SC..SBendtrans-78.7152.8179.1-70.90000113.4D239 L265D239-S263 VanDerWaalsContact O-CB 3.27Å; D239-S263 WeakPolarHBondContact O-CB 3.05Å; D239-S263 PolarHBondContact O-OG 2.79Å; D239-S263 WeakPolarHBondContact OD1-CB 3.12Å; D239-S263 PolarHBondContact OD1-N 3.03Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 WeakPolarHBondContact CB-O 3.24Å
264T92.9Very high91.2Very high70 Ų7040.3 Ų40.343%0.42923%0.228SC..SBendtrans-75.3-17.6170.949.30000113.1A209 S213A209-T264 WeakPolarHBondContact CB-O 3.22Å; A209-T264 PolarHBondContact N-O 2.89Å; S213-T264 VanDerWaalsContact O-CG2 3.3Å; S213-T264 WeakPolarHBondContact O-CG2 3.41Å
265L94.8Very high91.1Very high48 Ų4841.6 Ų41.625%0.25123%0.231SC..EExtended strand (participates in β ladder)trans-106.7133.4168.1-173.872.1000107.9I207 R208 G240 S263I207-L265 WeakPolarHBondContact O-CA 3.36Å; R208-L265 HydrophobicContact CG-CD1 3.38Å; G240-L265 WeakPolarHBondContact CA-O 3.3Å; G240-L265 PolarHBondContact N-O 2.87Å; G240-L265 VanDerWaalsContact N-O 3.14Å; G240-L265 CarbonylContact O-C 3.44Å; G240-L265 VanDerWaalsContact O-CD2 3.3Å; G240-L265 WeakPolarHBondContact O-CD2 3.22Å; G240-L265 WeakPolarHBondContact O-CG 3.49Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 WeakPolarHBondContact CB-O 3.24Å
266G95.5Very high91.2Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-129.7149.3166.100000109.9I207 Y238I207-G266 PolarHBondContact N-O 2.96Å; I207-G266 PolarHBondContact O-N 2.84Å; Y238-G266 WeakPolarHBondContact O-CA 3.27Å
267V96.3Very high91Very high1 Ų136.9 Ų36.91%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-125.5134.9176.2-171.80000110.3K204 W205 Y206 Y238 G241K204-V267 HydrophobicContact CB-CG1 4.4Å; W205-V267 WeakPolarHBondContact O-CA 3.48Å; Y206-V267 HydrophobicContact CD1-CB 4.45Å; Y206-V267 HydrophobicContact CD1-CG1 4.25Å; Y206-V267 HydrophobicContact CD1-CG2 3.35Å; Y206-V267 HydrophobicContact CE1-CG1 4.16Å; Y206-V267 HydrophobicContact CE1-CG2 3.56Å; Y206-V267 HydrophobicContact CG-CG2 4.16Å; Y238-V267 HydrophobicContact CD2-CB 4.35Å; Y238-V267 WeakPolarHBondContact CD2-O 3.49Å; Y238-V267 PolarHBondContact N-O 3.08Å; Y238-V267 PolarHBondContact O-N 3.5Å; G241-V267 WeakPolarHBondContact O-CB 3.39Å; G241-V267 WeakPolarHBondContact O-CG2 3.31Å
268I95.7Very high90.6Very high1 Ų139.2 Ų39.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-109133.5168.5-57.5-175.9000107.6V184 K204 W205 I207 L217 V235 A236 V237 I283V184-I268 HydrophobicContact CG2-CD1 4.17Å; K204-I268 CarbonylContact C-O 3.59Å; K204-I268 WeakPolarHBondContact CA-O 3.43Å; W205-I268 HydrophobicContact CE3-CG2 4.42Å; W205-I268 PolarHBondContact N-O 3.24Å; W205-I268 PolarHBondContact O-N 3.5Å; I207-I268 HydrophobicContact CD1-CD1 3.98Å; I207-I268 HydrophobicContact CD1-CG1 4.22Å; L217-I268 HydrophobicContact CD1-CD1 4.11Å; L217-I268 HydrophobicContact CD1-CG1 4.37Å; L217-I268 HydrophobicContact CD2-CD1 4.26Å; V235-I268 HydrophobicContact CG1-CG2 3.75Å; A236-I268 WeakPolarHBondContact O-CA 3.34Å; V237-I268 HydrophobicContact CG2-CG1 4.45Å; I268-I283 HydrophobicContact CD1-CB 4.41Å; I268-I283 HydrophobicContact CD1-CD1 3.84Å; I268-I283 HydrophobicContact CD1-CG2 4.05Å; I268-I283 HydrophobicContact CG2-CD1 4.21Å
269R92.4Very high90.3Very high2 Ų236.1 Ų36.11%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-125.2122.5-179.4-174.4-178.3-170.7174.35.2110.3E74 R132 Y133 D202 C203 K204 V235 A236 Y238E74-R269 IonicContact OE1-CZ 2.8Å; E74-R269 VanDerWaalsContact OE1-CZ 3.23Å; E74-R269 IonicContact OE1-NH1 3.2Å; E74-R269 PolarHBondContact OE1-NH1 2.86Å; E74-R269 IonicContact OE1-NH2 3.7Å; E74-R269 PolarHBondContact OE1-NH2 3.35Å; R132-R269 VanDerWaalsContact NH1-NH2 3.11Å; Y133-R269 PolarHBondContact OH-NH1 2.89Å; D202-R269 WeakPolarHBondContact OD1-CG 3.43Å; D202-R269 IonicContact OD1-CZ 2.72Å; D202-R269 IonicContact OD1-NE 3.3Å; D202-R269 PolarHBondContact OD1-NE 2.86Å; D202-R269 IonicContact OD1-NH2 3.61Å; D202-R269 PolarHBondContact OD1-NH2 2.7Å; D202-R269 IonicContact OD2-CZ 2.7Å; D202-R269 IonicContact OD2-NE 2.82Å; D202-R269 PolarHBondContact OD2-NE 2.96Å; D202-R269 IonicContact OD2-NH2 3.65Å; D202-R269 PolarHBondContact OD2-NH2 3.23Å; C203-R269 CarbonylContact O-C 3.59Å; C203-R269 VanDerWaalsContact O-CA 3.26Å; C203-R269 WeakPolarHBondContact O-CA 3.01Å; K204-R269 HydrophobicContact CG-CB 4.41Å; K204-R269 HydrophobicContact CG-CG 4.06Å; V235-R269 CarbonylContact C-O 3.57Å; V235-R269 VanDerWaalsContact CA-O 3.31Å; V235-R269 WeakPolarHBondContact CA-O 3.11Å; A236-R269 HydrophobicContact CB-CB 4.36Å; A236-R269 PolarHBondContact N-O 2.87Å; A236-R269 PolarHBondContact O-N 3.5Å; Y238-R269 HydrophobicContact CE2-CB 3.74Å; Y238-R269 PolarHBondContact OH-NH1 3.25Å
270M90.3Very high90Very high0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-102115.2168.9-176.8-173.2-156.200108.7I189 D202 C203 W205 M224 V235 A272 R277 F281I189-M270 HydrophobicContact CD1-SD 3.92Å; D202-M270 CarbonylContact C-O 3.55Å; D202-M270 WeakPolarHBondContact CA-O 3.32Å; C203-M270 PolarHBondContact N-O 2.84Å; C203-M270 PolarHBondContact O-N 2.51Å; W205-M270 HydrophobicContact CH2-CB 4.02Å; W205-M270 HydrophobicContact CZ3-CB 3.73Å; M224-M270 HydrophobicContact CE-CE 3.89Å; M224-M270 HydrophobicContact CE-CG 4.39Å; V235-M270 HydrophobicContact CG2-CG 4.48Å; M270-A272 HydrophobicContact CE-CB 3.98Å; M270-A272 HydrophobicContact CG-CB 4.26Å; M270-A272 HydrophobicContact SD-CB 4.48Å; M270-R277 PolarHBondContact SD-NH1 3.19Å; M270-F281 HydrophobicContact CB-CE1 4.01Å; M270-F281 HydrophobicContact CB-CZ 4.26Å; M270-F281 HydrophobicContact CE-CD1 4.39Å; M270-F281 HydrophobicContact CE-CE1 4.07Å; M270-F281 HydrophobicContact CG-CE1 3.94Å; M270-F281 HydrophobicContact SD-CE1 3.7Å
271W87.8Confident90Very high7 Ų737.6 Ų37.63%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-104.1119.3163.8174.3-106.2000108.6P77 R78 L170 A200 V201 D202 R232 N233 F234P77-W271 HydrophobicContact CB-CD2 4.13Å; P77-W271 HydrophobicContact CB-CE3 3.95Å; P77-W271 HydrophobicContact CB-CH2 3.2Å; P77-W271 HydrophobicContact CB-CZ2 3.36Å; P77-W271 HydrophobicContact CB-CZ3 3.51Å; P77-W271 HydrophobicContact CG-CD2 4.42Å; P77-W271 HydrophobicContact CG-CE3 3.87Å; P77-W271 HydrophobicContact CG-CH2 3.78Å; P77-W271 HydrophobicContact CG-CZ2 4.3Å; P77-W271 HydrophobicContact CG-CZ3 3.52Å; R78-W271 HydrophobicContact CG-CZ2 4.38Å; L170-W271 HydrophobicContact CD1-CH2 4.03Å; L170-W271 HydrophobicContact CD1-CZ3 3.76Å; L170-W271 HydrophobicContact CD2-CH2 3.96Å; L170-W271 HydrophobicContact CD2-CZ3 3.99Å; A200-W271 HydrophobicContact CB-CH2 4.41Å; V201-W271 WeakPolarHBondContact O-CA 3.37Å; V201-W271 WeakPolarHBondContact O-CZ3 3.5Å; D202-W271 HydrophobicContact CB-CE3 3.65Å; D202-W271 HydrophobicContact CB-CZ3 3.93Å; R232-W271 PolarHBondContact O-NE1 2.99Å; N233-W271 WeakPolarHBondContact CA-O 3.35Å; F234-W271 HydrophobicContact CD1-CB 4.06Å; F234-W271 AromaticContact CD1-CD1 3.94Å; F234-W271 HydrophobicContact CD1-CG 4.4Å; F234-W271 HydrophobicContact CD2-CB 4.26Å; F234-W271 HydrophobicContact CE1-CB 3.64Å; F234-W271 AromaticContact CE1-CD1 3.54Å; F234-W271 AromaticContact CE1-CG 3.84Å; F234-W271 HydrophobicContact CE1-CG 3.84Å; F234-W271 HydrophobicContact CE2-CB 3.85Å; F234-W271 HydrophobicContact CG-CB 4.36Å; F234-W271 HydrophobicContact CZ-CB 3.53Å; F234-W271 HydrophobicContact CZ-CG 4.09Å; F234-W271 PolarHBondContact N-O 3.17Å; F234-W271 PolarHBondContact O-N 3.41Å
272A87.8Confident90Very high0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-145.8137.2-178.500000112.7A200 V201 N233 M270A200-A272 CarbonylContact C-O 3.59Å; A200-A272 VanDerWaalsContact CA-O 3.22Å; A200-A272 WeakPolarHBondContact CA-O 3.48Å; V201-A272 HydrophobicContact CG2-CB 4.29Å; V201-A272 PolarHBondContact N-O 3.45Å; V201-A272 PolarHBondContact O-N 2.73Å; V201-A272 VanDerWaalsContact O-N 3.08Å; N233-A272 VanDerWaalsContact OD1-CA 3.27Å; N233-A272 WeakPolarHBondContact OD1-CA 3.43Å; M270-A272 HydrophobicContact CE-CB 3.98Å; M270-A272 HydrophobicContact CG-CB 4.26Å; M270-A272 HydrophobicContact SD-CB 4.48Å
273D82.7Confident90.1Very high11 Ų1137.1 Ų37.16%0.05918%0.178CC..  trans-76.5173.8172.768.637.2000113.1N233 L275 S276 R277N233-D273 PolarHBondContact ND2-OD2 3.32Å; N233-D273 VanDerWaalsContact OD1-CG 3.28Å; N233-D273 PolarHBondContact OD1-N 3.34Å; N233-D273 PolarHBondContact OD1-OD2 3.28Å; D273-L275 PolarHBondContact O-N 3.46Å; D273-L275 WeakPolarHBondContact OD1-CB 3.29Å; D273-L275 PolarHBondContact OD1-N 3.02Å; D273-L275 VanDerWaalsContact OD1-N 3.08Å; D273-S276 CarbonylContact O-C 3.58Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 VanDerWaalsContact O-N 3.15Å; D273-S276 WeakPolarHBondContact OD1-CB 3.25Å; D273-S276 PolarHBondContact OD1-N 2.87Å; D273-S276 PolarHBondContact OD1-OG 3.13Å; D273-S276 PolarHBondContact OD2-OG 2.03Å; D273-R277 PolarHBondContact O-N 2.9Å
274E82.5Confident90.3Very high86 Ų8635.1 Ų35.140%0.40216%0.163SC..THydrogen-bonded Turntrans-58.9-31.9-176.2-64.2139.2-10900113.7R78 T198 A200R78-E274 IonicContact CZ-OE1 2.72Å; R78-E274 IonicContact NH1-OE1 3.84Å; R78-E274 PolarHBondContact NH1-OE1 3.29Å; R78-E274 IonicContact NH2-OE1 2.67Å; R78-E274 PolarHBondContact NH2-OE1 3.48Å; T198-E274 WeakPolarHBondContact O-CB 3.42Å; T198-E274 VanDerWaalsContact O-CG 3.25Å; T198-E274 WeakPolarHBondContact O-CG 3.32Å; A200-E274 HydrophobicContact CB-CG 4.28Å
275L81.8Confident90.5Very high133 Ų13332 Ų3270%0.69614%0.144SC*.THydrogen-bonded Turntrans-80-39178.7-56.8178000110.5D273D273-L275 PolarHBondContact O-N 3.46Å; D273-L275 WeakPolarHBondContact OD1-CB 3.29Å; D273-L275 PolarHBondContact OD1-N 3.02Å; D273-L275 VanDerWaalsContact OD1-N 3.08Å
276S86.4Confident90.5Very high0 Ų029.8 Ų29.80%013%0.132CC..G310 helixtrans-89.4-4.2-173.8-45.70000112.9A225 N233 D273 K278 S279A225-S276 PolarHBondContact O-OG 2.7Å; N233-S276 PolarHBondContact ND2-OG 2.88Å; N233-S276 VanDerWaalsContact ND2-OG 3.14Å; N233-S276 VanDerWaalsContact OD1-CB 3.3Å; N233-S276 WeakPolarHBondContact OD1-CB 3.32Å; N233-S276 PolarHBondContact OD1-OG 3.01Å; D273-S276 CarbonylContact O-C 3.58Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 VanDerWaalsContact O-N 3.15Å; D273-S276 WeakPolarHBondContact OD1-CB 3.25Å; D273-S276 PolarHBondContact OD1-N 2.87Å; D273-S276 PolarHBondContact OD1-OG 3.13Å; D273-S276 PolarHBondContact OD2-OG 2.03Å; S276-K278 PolarHBondContact O-N 2.99Å; S276-S279 WeakPolarHBondContact O-CB 3.02Å; S276-S279 PolarHBondContact O-N 3.03Å; S276-S279 PolarHBondContact O-OG 3.33Å
277R86.3Confident90.5Very high9 Ų930.3 Ų30.33%0.03414%0.136CC..G310 helixtrans-53.1-23.5171.2-177.962.2-102.9111.53.3113.5S186 I189 A197 E199 M270 D273 S279S186-R277 PolarHBondContact O-NH2 3.2Å; I189-R277 VanDerWaalsContact CD1-NH2 3.31Å; A197-R277 WeakPolarHBondContact O-CG 3.24Å; E199-R277 WeakPolarHBondContact O-CD 3.02Å; E199-R277 VanDerWaalsContact O-CG 3.3Å; E199-R277 WeakPolarHBondContact O-CG 3.31Å; M270-R277 PolarHBondContact SD-NH1 3.19Å; D273-R277 PolarHBondContact O-N 2.9Å; R277-S279 VanDerWaalsContact C-N 3.33Å
278K84.1Confident90.4Very high167 Ų16730.8 Ų30.873%0.72614%0.137SC*.G310 helixtrans-80.7-6.5175.4-65.3174.3-175.6168.30114.5S276S276-K278 PolarHBondContact O-N 2.99Å
279S89Confident90.2Very high6 Ų632.6 Ų32.64%0.04215%0.146CC..  trans-57.9135.1179.9-62.50000112S186 E223 M224 A225 S276 R277S186-S279 WeakPolarHBondContact CB-O 3.33Å; S186-S279 PolarHBondContact OG-O 2.67Å; E223-S279 WeakPolarHBondContact O-CB 3.25Å; M224-S279 VanDerWaalsContact SD-CB 3.57Å; M224-S279 PolarHBondContact SD-OG 3.41Å; M224-S279 VanDerWaalsContact SD-OG 3.33Å; A225-S279 PolarHBondContact N-OG 3.34Å; S276-S279 WeakPolarHBondContact O-CB 3.02Å; S276-S279 PolarHBondContact O-N 3.03Å; S276-S279 PolarHBondContact O-OG 3.33Å; R277-S279 VanDerWaalsContact C-N 3.33Å
280R88.9Confident90.1Very high111 Ų11137.1 Ų37.142%0.41917%0.167SC..EExtended strand (participates in β ladder)trans-109.1122.2-169.8-179.8170.2170.7-86.5-7.3110.6S186 D221 Y222 E223S186-R280 WeakPolarHBondContact OG-CA 3.36Å; D221-R280 VanDerWaalsContact CG-CZ 3.49Å; D221-R280 IonicContact OD1-CZ 3.46Å; D221-R280 IonicContact OD1-NH1 2.67Å; D221-R280 PolarHBondContact OD1-NH1 2.84Å; D221-R280 IonicContact OD1-NH2 3.46Å; D221-R280 PolarHBondContact OD1-NH2 2.8Å; D221-R280 IonicContact OD2-CZ 3.41Å; D221-R280 IonicContact OD2-NH1 2.68Å; D221-R280 IonicContact OD2-NH2 2.67Å; D221-R280 PolarHBondContact OD2-NH2 2.83Å; Y222-R280 CarbonylContact C-O 3.6Å; E223-R280 PolarHBondContact N-O 2.77Å; E223-R280 PolarHBondContact O-N 2.97Å; E223-R280 VanDerWaalsContact O-N 3.12Å
281F93.4Very high90Very high2 Ų240 Ų401%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-138.3151.6162.769.6-98.6000111.5V184 E185 S186 W205 D221 Y222 V235 M270 I283V184-F281 HydrophobicContact CG1-CE2 3.79Å; V184-F281 HydrophobicContact CG1-CZ 4.46Å; E185-F281 WeakPolarHBondContact CA-O 3.4Å; S186-F281 PolarHBondContact N-O 2.94Å; S186-F281 VanDerWaalsContact N-O 3.14Å; S186-F281 PolarHBondContact OG-N 3.22Å; W205-F281 AromaticContact CH2-CZ 3.74Å; W205-F281 HydrophobicContact CH2-CZ 3.74Å; W205-F281 HydrophobicContact CZ2-CZ 4.47Å; W205-F281 AromaticContact CZ3-CZ 3.9Å; W205-F281 HydrophobicContact CZ3-CZ 3.9Å; D221-F281 CarbonylContact O-C 3.53Å; D221-F281 VanDerWaalsContact O-CA 3.24Å; D221-F281 WeakPolarHBondContact O-CA 3.41Å; Y222-F281 HydrophobicContact CD2-CB 3.84Å; V235-F281 HydrophobicContact CG2-CD1 3.61Å; V235-F281 HydrophobicContact CG2-CE1 3.53Å; V235-F281 HydrophobicContact CG2-CG 4.37Å; V235-F281 HydrophobicContact CG2-CZ 4.23Å; M270-F281 HydrophobicContact CB-CE1 4.01Å; M270-F281 HydrophobicContact CB-CZ 4.26Å; M270-F281 HydrophobicContact CE-CD1 4.39Å; M270-F281 HydrophobicContact CE-CE1 4.07Å; M270-F281 HydrophobicContact CG-CE1 3.94Å; M270-F281 HydrophobicContact SD-CE1 3.7Å; F281-I283 HydrophobicContact CD2-CD1 3.7Å; F281-I283 HydrophobicContact CD2-CG1 3.92Å; F281-I283 HydrophobicContact CE2-CD1 3.9Å; F281-I283 HydrophobicContact CE2-CG1 4.48Å
282R94.9Very high90.1Very high82 Ų8245 Ų4531%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-136.1119.2168.9-63-163-60.3156.67.5109I183 V184 E185 L220 D221I183-R282 HydrophobicContact CG2-CB 4.44Å; V184-R282 CarbonylContact O-C 3.55Å; V184-R282 VanDerWaalsContact O-CA 3.3Å; V184-R282 WeakPolarHBondContact O-CA 3.05Å; E185-R282 HydrophobicContact CB-CG 4.47Å; E185-R282 HydrophobicContact CG-CG 4.06Å; E185-R282 WeakPolarHBondContact OE1-CD 3.39Å; L220-R282 HydrophobicContact CB-CB 4.36Å; L220-R282 PolarHBondContact N-O 3.21Å; D221-R282 HydrophobicContact CB-CB 4.21Å; D221-R282 PolarHBondContact N-O 3.12Å; D221-R282 VanDerWaalsContact N-O 3.16Å; D221-R282 PolarHBondContact O-N 3.48Å; D221-R282 IonicContact OD2-CZ 3.17Å; D221-R282 IonicContact OD2-NE 2.73Å; D221-R282 PolarHBondContact OD2-NE 2.85Å; D221-R282 IonicContact OD2-NH2 2.71Å; D221-R282 PolarHBondContact OD2-NH2 2.79Å
283I96.3Very high90.1Very high0 Ų047.1 Ų47.10%023%0.233CC..EExtended strand (participates in β ladder)trans-119117-178.8-58.6163.9000107.5I183 V184 L217 R218 F219 I268 F281I183-I283 CarbonylContact C-O 3.53Å; I183-I283 WeakPolarHBondContact CA-O 3.32Å; V184-I283 HydrophobicContact CB-CB 4.36Å; V184-I283 PolarHBondContact N-O 3.35Å; V184-I283 PolarHBondContact O-N 3.07Å; L217-I283 HydrophobicContact CB-CG2 4.16Å; L217-I283 HydrophobicContact CD2-CG2 4.26Å; R218-I283 CarbonylContact O-C 3.54Å; R218-I283 VanDerWaalsContact O-CA 3.32Å; R218-I283 WeakPolarHBondContact O-CA 3.43Å; F219-I283 HydrophobicContact CD1-CD1 3.94Å; F219-I283 HydrophobicContact CD1-CG1 3.59Å; F219-I283 HydrophobicContact CE1-CD1 3.35Å; F219-I283 HydrophobicContact CE1-CG1 3.57Å; F219-I283 HydrophobicContact CG-CG1 4.26Å; F219-I283 HydrophobicContact CZ-CD1 3.83Å; F219-I283 HydrophobicContact CZ-CG1 4.19Å; I268-I283 HydrophobicContact CD1-CB 4.41Å; I268-I283 HydrophobicContact CD1-CD1 3.84Å; I268-I283 HydrophobicContact CD1-CG2 4.05Å; I268-I283 HydrophobicContact CG2-CD1 4.21Å; F281-I283 HydrophobicContact CD2-CD1 3.7Å; F281-I283 HydrophobicContact CD2-CG1 3.92Å; F281-I283 HydrophobicContact CE2-CD1 3.9Å; F281-I283 HydrophobicContact CE2-CG1 4.48Å
284L96.3Very high90.3Very high2 Ų250 Ų501%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-76.3131.8165.8175.572.5000107.7G182 I183 R218 L220 I315G182-L284 CarbonylContact O-C 3.45Å; G182-L284 WeakPolarHBondContact O-CA 3.46Å; I183-L284 HydrophobicContact CG1-CD1 4.13Å; R218-L284 HydrophobicContact CB-CB 4.34Å; R218-L284 PolarHBondContact N-O 2.66Å; R218-L284 PolarHBondContact O-N 2.96Å; L220-L284 HydrophobicContact CD1-CB 4.03Å; L220-L284 HydrophobicContact CD2-CB 4.39Å; L220-L284 HydrophobicContact CG-CB 4.09Å; L284-I315 HydrophobicContact CD1-CG2 3.98Å; L284-I315 HydrophobicContact CD2-CG2 3.48Å; L284-I315 VanDerWaalsContact CD2-CG2 3.48Å; L284-I315 HydrophobicContact CG-CG2 4.39Å
285F96.8Very high90.3Very high5 Ų551.5 Ų51.52%0.02228%0.276CS..EExtended strand (participates in β ladder)trans-106.8143.3162.576.7-94.2000109.9M177 E181 G182 I207 I215 Y216 L217M177-F285 HydrophobicContact CB-CE1 4.27Å; M177-F285 HydrophobicContact CB-CZ 4.28Å; M177-F285 HydrophobicContact CE-CD1 3.52Å; M177-F285 HydrophobicContact CE-CE1 3.27Å; M177-F285 HydrophobicContact CE-CZ 4.21Å; M177-F285 HydrophobicContact SD-CE1 3.83Å; E181-F285 CarbonylContact C-O 3.56Å; E181-F285 VanDerWaalsContact CA-O 3.23Å; E181-F285 WeakPolarHBondContact CA-O 3.4Å; G182-F285 VanDerWaalsContact C-CD1 3.48Å; G182-F285 VanDerWaalsContact C-CE1 3.49Å; G182-F285 PolarHBondContact N-O 3.22Å; G182-F285 WeakPolarHBondContact O-CD1 3.36Å; G182-F285 PolarHBondContact O-N 2.78Å; I207-F285 HydrophobicContact CD1-CB 4.06Å; I207-F285 HydrophobicContact CD1-CD1 4.17Å; I207-F285 HydrophobicContact CD1-CG 4.17Å; I207-F285 HydrophobicContact CG2-CB 4.4Å; I207-F285 HydrophobicContact CG2-CD1 4.17Å; I207-F285 HydrophobicContact CG2-CD2 3.58Å; I207-F285 HydrophobicContact CG2-CE1 4.34Å; I207-F285 HydrophobicContact CG2-CE2 3.78Å; I207-F285 HydrophobicContact CG2-CG 3.8Å; I207-F285 HydrophobicContact CG2-CZ 4.16Å; I215-F285 HydrophobicContact CG2-CB 4.15Å; Y216-F285 CarbonylContact O-C 3.45Å; Y216-F285 VanDerWaalsContact O-CA 3.32Å; Y216-F285 WeakPolarHBondContact O-CA 3.37Å; L217-F285 HydrophobicContact CD2-CB 3.48Å; L217-F285 VanDerWaalsContact CD2-CB 3.48Å
286T95.6Very high90.5Very high0 Ų049.5 Ų49.50%027%0.266CS..EExtended strand (participates in β ladder)trans-134.5126.2178.2-54.40000107.8Y216 M304 I306 L310 N317Y216-T286 PolarHBondContact N-O 2.75Å; Y216-T286 PolarHBondContact O-N 3.42Å; T286-M304 HydrophobicContact CG2-CE 4.24Å; T286-I306 HydrophobicContact CG2-CG2 3.94Å; T286-L310 HydrophobicContact CG2-CD1 4.09Å; T286-N317 WeakPolarHBondContact CB-OD1 3.41Å; T286-N317 HydrophobicContact CG2-CB 3.84Å; T286-N317 WeakPolarHBondContact CG2-OD1 3.23Å; T286-N317 PolarHBondContact OG1-OD1 3.22Å
287T94.8Very high90.6Very high12 Ų1250.7 Ų50.77%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-87.7135174.272.30000110.2G179 P180 A209 K214G179-T287 VanDerWaalsContact O-CG2 3.23Å; G179-T287 WeakPolarHBondContact O-CG2 3.48Å; P180-T287 WeakPolarHBondContact CA-OG1 3.28Å; P180-T287 PolarHBondContact O-N 3.14Å; P180-T287 PolarHBondContact O-OG1 2.82Å; A209-T287 HydrophobicContact CB-CG2 3.64Å; K214-T287 CarbonylContact O-C 3.52Å; K214-T287 VanDerWaalsContact O-CA 3.28Å; K214-T287 WeakPolarHBondContact O-CA 3.23Å
288Y93.9Very high90.8Very high10 Ų1053 Ų534%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-135.5156.5-178.773.2-85.3000112.2S213 K214 M260 E290 M304 C305S213-Y288 CarbonylContact C-O 3.54Å; S213-Y288 VanDerWaalsContact CA-O 3.24Å; S213-Y288 WeakPolarHBondContact CA-O 3.14Å; S213-Y288 WeakPolarHBondContact CB-O 3.06Å; K214-Y288 HydrophobicContact CB-CD1 4.02Å; K214-Y288 HydrophobicContact CB-CD2 4.39Å; K214-Y288 HydrophobicContact CB-CE1 3.48Å; K214-Y288 VanDerWaalsContact CB-CE1 3.48Å; K214-Y288 HydrophobicContact CB-CE2 3.91Å; K214-Y288 HydrophobicContact CB-CG 4.44Å; K214-Y288 VanDerWaalsContact CB-CZ 3.42Å; K214-Y288 HydrophobicContact CD-CE2 4.19Å; K214-Y288 PolarHBondContact N-O 2.99Å; K214-Y288 WeakPolarHBondContact O-CD1 3.28Å; K214-Y288 PolarHBondContact O-N 3.21Å; M260-Y288 HydrophobicContact CE-CD1 4.45Å; M260-Y288 HydrophobicContact CE-CE1 3.76Å; M260-Y288 HydrophobicContact CE-CE2 4.01Å; M260-Y288 HydrophobicContact SD-CD1 4.38Å; M260-Y288 HydrophobicContact SD-CE1 3.47Å; M260-Y288 WeakPolarHBondContact SD-CE1 3.14Å; Y288-E290 HydrophobicContact CE2-CG 4.12Å; Y288-M304 HydrophobicContact CD2-CB 4.16Å; Y288-M304 HydrophobicContact CD2-CG 3.81Å; Y288-M304 HydrophobicContact CG-CG 3.77Å; Y288-M304 HydrophobicContact CG-SD 4.5Å; Y288-C305 CarbonylContact C-O 3.59Å; Y288-C305 VanDerWaalsContact CA-O 3.25Å; Y288-C305 WeakPolarHBondContact CA-O 3.31Å; Y288-C305 WeakPolarHBondContact CB-O 3.19Å
289Q92.9Very high91.2Very high40 Ų4049 Ų4919%0.18727%0.269CS..BIsolated β-bridgetrans-105.3154.2166.6-64.8-165.877.100110.4D294 C305Q289-D294 PolarHBondContact NE2-OD2 2.04Å; Q289-C305 HydrophobicContact CB-CB 4.21Å; Q289-C305 PolarHBondContact N-O 3.28Å; Q289-C305 WeakPolarHBondContact O-CB 3.36Å; Q289-C305 PolarHBondContact O-N 2.92Å
290E90.3Very high91.2Very high97 Ų9748.8 Ų48.845%0.45327%0.267SS..PPolyproline II helixtrans-85.6152.3168.5-74.2173164.300110.3K214 Y288K214-E290 HydrophobicContact CD-CG 4.41Å; K214-E290 WeakPolarHBondContact CE-OE2 3.28Å; K214-E290 IonicContact NZ-OE1 2.77Å; K214-E290 PolarHBondContact NZ-OE1 2.87Å; K214-E290 IonicContact NZ-OE2 2.73Å; K214-E290 PolarHBondContact NZ-OE2 2.67Å; Y288-E290 HydrophobicContact CE2-CG 4.12Å
291P88.2Confident90.9Very high60 Ų6050.1 Ų50.139%0.3928%0.278SS..SBendtrans-57.1145.4179.4-27.135.3000113.4F299 N303P291-F299 HydrophobicContact CG-CD2 4.38Å; P291-F299 HydrophobicContact CG-CE2 3.8Å; P291-N303 WeakPolarHBondContact CD-O 3.12Å
292P90.3Very high90.3Very high112 Ų11251.9 Ų51.973%0.72729%0.291SS*.SBendcis-75.2136.75.830.7-35.5000113.3
293C87.6Confident89.9Confident44 Ų4453.3 Ų53.330%0.29730%0.304SS..PPolyproline II helixtrans-71.3144.1174.6-50.80000111A297 C305C293-A297 HydrophobicContact CB-CB 4.15Å; C293-C305 WeakPolarHBondContact CA-SG 3.37Å; C293-C305 HydrophobicContact CB-CB 3.68Å; C293-C305 WeakPolarHBondContact CB-SG 3.41Å; C293-C305 WeakPolarHBondContact SG-CB 3.33Å; C293-C305 CovalentContact SG-SG 2.04Å; C293-C305 PolarHBondContact SG-SG 2.68Å
294D86.8Confident89.6Confident71 Ų7153.3 Ų53.338%0.3830%0.304SS..PPolyproline II helixtrans-68163167.2-66.6-54.7000111.5Q289 D296 A297Q289-D294 PolarHBondContact NE2-OD2 2.04Å; D294-D296 WeakPolarHBondContact CB-OD1 3.38Å; D294-D296 PolarHBondContact O-N 3.36Å; D294-A297 PolarHBondContact O-N 2.87Å
295A82.6Confident89.5Confident119 Ų11953.3 Ų53.398%0.98331%0.305SS*.THydrogen-bonded Turntrans-68.5-14.1-172.100000114.9
296D84.4Confident89.3Confident90 Ų9053.2 Ų53.248%0.48130%0.304SS..THydrogen-bonded Turntrans-103.28.9175.364.8-41.3000113.2D294 Y308D294-D296 WeakPolarHBondContact CB-OD1 3.38Å; D294-D296 PolarHBondContact O-N 3.36Å; D296-Y308 WeakPolarHBondContact O-CB 3.42Å; D296-Y308 PolarHBondContact O-N 2.97Å; D296-Y308 VanDerWaalsContact O-N 3.14Å
297A90.1Very high89.1Confident26 Ų2655.8 Ų55.822%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-109142.8179.600000113.2C293 D294 C305 I306C293-A297 HydrophobicContact CB-CB 4.15Å; D294-A297 PolarHBondContact O-N 2.87Å; A297-C305 HydrophobicContact CB-CB 4.18Å; A297-I306 CarbonylContact C-O 3.58Å; A297-I306 WeakPolarHBondContact CA-O 3.28Å; A297-I306 WeakPolarHBondContact CB-O 3.4Å
298F90.5Very high88.9Confident56 Ų5662.4 Ų62.425%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-98.3137.1176.6176.4-97.7000111.4C305 I306 V311 W322 D323F298-C305 CarbonylContact O-C 3.56Å; F298-C305 VanDerWaalsContact O-CA 3.3Å; F298-C305 WeakPolarHBondContact O-CA 3.31Å; F298-I306 HydrophobicContact CB-CG1 4.22Å; F298-I306 HydrophobicContact CD1-CD1 4.22Å; F298-I306 HydrophobicContact CD1-CG1 4.1Å; F298-I306 PolarHBondContact N-O 2.8Å; F298-I306 PolarHBondContact O-N 2.88Å; F298-V311 HydrophobicContact CB-CG2 3.56Å; F298-V311 HydrophobicContact CD1-CG2 3.72Å; F298-V311 HydrophobicContact CD2-CG2 4.14Å; F298-V311 HydrophobicContact CE1-CG2 4.43Å; F298-V311 HydrophobicContact CG-CG2 3.54Å; F298-W322 HydrophobicContact CE1-CB 4.47Å; F298-D323 HydrophobicContact CE1-CB 4.38Å
299F92.3Very high88.7Confident85 Ų8565.4 Ų65.437%0.37336%0.362SS..EExtended strand (participates in β ladder)trans-96.5107.6-175.2178.9-122.8000112.1P291 H301P291-F299 HydrophobicContact CG-CD2 4.38Å; P291-F299 HydrophobicContact CG-CE2 3.8Å; F299-H301 PolarHBondContact O-N 2.79Å
300C89.4Confident88.6Confident0 Ų063.6 Ų63.60%035%0.354CS..  trans-67.718.3178.3-63.20000114.9S302 M304 C318 W322C300-S302 WeakPolarHBondContact O-CB 3.49Å; C300-S302 PolarHBondContact O-N 3.31Å; C300-S302 PolarHBondContact O-OG 2.62Å; C300-M304 HydrophobicContact CB-CB 4.12Å; C300-M304 HydrophobicContact CB-CG 4.23Å; C300-M304 WeakPolarHBondContact CB-O 3.44Å; C300-M304 PolarHBondContact N-O 2.99Å; C300-C318 HydrophobicContact CB-CB 3.64Å; C300-C318 WeakPolarHBondContact CB-SG 3.3Å; C300-C318 VanDerWaalsContact SG-CA 3.59Å; C300-C318 WeakPolarHBondContact SG-CB 3.4Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.58Å; C300-W322 VanDerWaalsContact O-CD1 3.31Å
301H80.6Confident88.7Confident140 Ų14060.8 Ų60.865%0.64834%0.343SS*.SBendtrans57.4-4-173.4-129.778.7000117F299F299-H301 PolarHBondContact O-N 2.79Å
302S81.6Confident88.8Confident38 Ų3861.2 Ų61.227%0.26635%0.347SS..SBendtrans-118.240.1-164.2-48.10000111.8C300 M304C300-S302 WeakPolarHBondContact O-CB 3.49Å; C300-S302 PolarHBondContact O-N 3.31Å; C300-S302 PolarHBondContact O-OG 2.62Å; S302-M304 PolarHBondContact O-N 2.72Å
303N86.5Confident88.7Confident112 Ų11258.4 Ų58.460%0.59933%0.326SS*.SBendtrans52.634.5-170.3-64.1-19.7000113.9P291P291-N303 WeakPolarHBondContact CD-O 3.12Å
304M91.3Very high88.8Confident0 Ų059.3 Ų59.30%034%0.342CS..  trans-137.1116.7-170.6176.1176.7169.700109.6Y216 M260 T286 Y288 C300 S302 I306 N317 V319Y216-M304 HydrophobicContact CD1-CE 3.84Å; Y216-M304 HydrophobicContact CG-CE 4.24Å; M260-M304 HydrophobicContact CE-SD 4Å; T286-M304 HydrophobicContact CG2-CE 4.24Å; Y288-M304 HydrophobicContact CD2-CB 4.16Å; Y288-M304 HydrophobicContact CD2-CG 3.81Å; Y288-M304 HydrophobicContact CG-CG 3.77Å; Y288-M304 HydrophobicContact CG-SD 4.5Å; C300-M304 HydrophobicContact CB-CB 4.12Å; C300-M304 HydrophobicContact CB-CG 4.23Å; C300-M304 WeakPolarHBondContact CB-O 3.44Å; C300-M304 PolarHBondContact N-O 2.99Å; S302-M304 PolarHBondContact O-N 2.72Å; M304-I306 HydrophobicContact CE-CG2 3.67Å; M304-I306 HydrophobicContact CG-CG2 4.3Å; M304-N317 WeakPolarHBondContact CE-O 3.35Å; M304-V319 HydrophobicContact SD-CG2 3.8Å
305C93.4Very high88.9Confident3 Ų358.6 Ų58.62%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-105.6115.5177.3-50.10000108.8Y288 Q289 C293 A297 F298Y288-C305 CarbonylContact C-O 3.59Å; Y288-C305 VanDerWaalsContact CA-O 3.25Å; Y288-C305 WeakPolarHBondContact CA-O 3.31Å; Y288-C305 WeakPolarHBondContact CB-O 3.19Å; Q289-C305 HydrophobicContact CB-CB 4.21Å; Q289-C305 PolarHBondContact N-O 3.28Å; Q289-C305 WeakPolarHBondContact O-CB 3.36Å; Q289-C305 PolarHBondContact O-N 2.92Å; C293-C305 WeakPolarHBondContact CA-SG 3.37Å; C293-C305 HydrophobicContact CB-CB 3.68Å; C293-C305 WeakPolarHBondContact CB-SG 3.41Å; C293-C305 WeakPolarHBondContact SG-CB 3.33Å; C293-C305 CovalentContact SG-SG 2.04Å; C293-C305 PolarHBondContact SG-SG 2.68Å; A297-C305 HydrophobicContact CB-CB 4.18Å; F298-C305 CarbonylContact O-C 3.56Å; F298-C305 VanDerWaalsContact O-CA 3.3Å; F298-C305 WeakPolarHBondContact O-CA 3.31Å
306I92.8Very high89.4Confident2 Ų254.8 Ų54.81%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-104.6160.9176.261.1171.9000110.6T286 A297 F298 M304 L310 V311 N317 D323T286-I306 HydrophobicContact CG2-CG2 3.94Å; A297-I306 CarbonylContact C-O 3.58Å; A297-I306 WeakPolarHBondContact CA-O 3.28Å; A297-I306 WeakPolarHBondContact CB-O 3.4Å; F298-I306 HydrophobicContact CB-CG1 4.22Å; F298-I306 HydrophobicContact CD1-CD1 4.22Å; F298-I306 HydrophobicContact CD1-CG1 4.1Å; F298-I306 PolarHBondContact N-O 2.8Å; F298-I306 PolarHBondContact O-N 2.88Å; M304-I306 HydrophobicContact CE-CG2 3.67Å; M304-I306 HydrophobicContact CG-CG2 4.3Å; I306-L310 HydrophobicContact CB-CD1 4.37Å; I306-L310 HydrophobicContact CD1-CB 4.14Å; I306-V311 HydrophobicContact CD1-CG2 4.29Å; I306-N317 HydrophobicContact CD1-CB 4.21Å; I306-D323 HydrophobicContact CD1-CB 4.19Å
307N91.3Very high89.8Confident55 Ų5550.5 Ų50.529%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-65.8140.8174.6-167.1-66.7000110.4T309 L310N307-T309 PolarHBondContact O-N 3.35Å; N307-T309 VanDerWaalsContact O-N 3.07Å; N307-T309 WeakPolarHBondContact OD1-CG2 3.43Å; N307-T309 PolarHBondContact OD1-N 2.87Å; N307-T309 PolarHBondContact OD1-OG1 3.06Å; N307-T309 VanDerWaalsContact OD1-OG1 3.06Å; N307-L310 HydrophobicContact CB-CG 4.42Å; N307-L310 WeakPolarHBondContact O-CB 3.39Å; N307-L310 PolarHBondContact O-N 2.82Å
308Y89.3Confident90Very high150 Ų15049.3 Ų49.359%0.58827%0.267SS*.G310 helixtrans-57.9-23.8-179.990.9-84000113.9D296 L310 V311D296-Y308 WeakPolarHBondContact O-CB 3.42Å; D296-Y308 PolarHBondContact O-N 2.97Å; D296-Y308 VanDerWaalsContact O-N 3.14Å; Y308-L310 PolarHBondContact O-N 3.46Å; Y308-V311 WeakPolarHBondContact O-CB 3.31Å; Y308-V311 PolarHBondContact O-N 2.71Å
309T90.4Very high90Very high74 Ų7449 Ų4945%0.45427%0.27SS..G310 helixtrans-66.1-16.417758.40000113.9N307N307-T309 PolarHBondContact O-N 3.35Å; N307-T309 VanDerWaalsContact O-N 3.07Å; N307-T309 WeakPolarHBondContact OD1-CG2 3.43Å; N307-T309 PolarHBondContact OD1-N 2.87Å; N307-T309 PolarHBondContact OD1-OG1 3.06Å; N307-T309 VanDerWaalsContact OD1-OG1 3.06Å
310L91Very high89.9Confident2 Ų251.8 Ų51.81%0.0128%0.278CS..G310 helixtrans-91.53.3178.3-52.8-174.2000112.9P180 E181 T286 I306 N307 Y308 N317P180-L310 HydrophobicContact CB-CD1 4.35Å; E181-L310 HydrophobicContact CB-CD1 4.42Å; E181-L310 HydrophobicContact CB-CD2 3.97Å; E181-L310 VanDerWaalsContact CD-CD2 3.4Å; E181-L310 HydrophobicContact CG-CD2 3.73Å; T286-L310 HydrophobicContact CG2-CD1 4.09Å; I306-L310 HydrophobicContact CB-CD1 4.37Å; I306-L310 HydrophobicContact CD1-CB 4.14Å; N307-L310 HydrophobicContact CB-CG 4.42Å; N307-L310 WeakPolarHBondContact O-CB 3.39Å; N307-L310 PolarHBondContact O-N 2.82Å; Y308-L310 PolarHBondContact O-N 3.46Å; L310-N317 HydrophobicContact CB-CB 4.4Å
311V91.9Very high90Very high38 Ų3853.9 Ų53.923%0.2329%0.292CS..SBendtrans-98.2129.4179.9-1760000109.1F298 I306 Y308 N313 D323F298-V311 HydrophobicContact CB-CG2 3.56Å; F298-V311 HydrophobicContact CD1-CG2 3.72Å; F298-V311 HydrophobicContact CD2-CG2 4.14Å; F298-V311 HydrophobicContact CE1-CG2 4.43Å; F298-V311 HydrophobicContact CG-CG2 3.54Å; I306-V311 HydrophobicContact CD1-CG2 4.29Å; Y308-V311 WeakPolarHBondContact O-CB 3.31Å; Y308-V311 PolarHBondContact O-N 2.71Å; V311-N313 VanDerWaalsContact C-N 3.3Å; V311-N313 PolarHBondContact O-N 2.73Å; V311-D323 WeakPolarHBondContact CG1-O 3.46Å
312C90.5Very high90.4Very high69 Ų6952.2 Ų52.247%0.46628%0.28SS..SBendtrans6133.8-174.1-51.30000114.2D323 E324 C327C312-D323 PolarHBondContact N-O 2.92Å; C312-E324 VanDerWaalsContact C-OE1 3.32Å; C312-E324 WeakPolarHBondContact CA-OE1 3.35Å; C312-E324 PolarHBondContact N-OE1 2.73Å; C312-C327 WeakPolarHBondContact CA-SG 3.12Å; C312-C327 HydrophobicContact CB-CB 3.95Å; C312-C327 WeakPolarHBondContact CB-SG 3.28Å; C312-C327 WeakPolarHBondContact SG-CA 3.41Å; C312-C327 WeakPolarHBondContact SG-CB 3.44Å; C312-C327 CovalentContact SG-SG 2.02Å; C312-C327 PolarHBondContact SG-SG 3.11Å
313N89.1Confident90.8Very high53 Ų5350.4 Ų50.428%0.28327%0.268SS..SBendtrans-93.4-3.2174.981.4-11.3000112.9E181 V311 I315 E324E181-N313 PolarHBondContact OE1-ND2 2.94Å; E181-N313 PolarHBondContact OE2-ND2 3.24Å; V311-N313 VanDerWaalsContact C-N 3.3Å; V311-N313 PolarHBondContact O-N 2.73Å; N313-I315 VanDerWaalsContact C-N 3.33Å; N313-I315 WeakPolarHBondContact OD1-CA 3.45Å; N313-I315 VanDerWaalsContact OD1-CB 3.31Å; N313-I315 WeakPolarHBondContact OD1-CB 3.17Å; N313-I315 PolarHBondContact OD1-N 2.77Å; N313-I315 PolarHBondContact OD1-O 2.8Å; N313-I315 VanDerWaalsContact OD1-O 3.08Å; N313-E324 PolarHBondContact N-OE1 2.72Å
314G88.3Confident91.1Very high62 Ų6247.4 Ų47.464%0.63925%0.25SS*.SBendtrans84.15.9-177.400000114E324G314-E324 VanDerWaalsContact CA-OE2 3.23Å; G314-E324 WeakPolarHBondContact CA-OE2 3.08Å; G314-E324 VanDerWaalsContact N-CD 3.32Å; G314-E324 PolarHBondContact N-OE1 3.48Å; G314-E324 PolarHBondContact N-OE2 3.38Å
315I90.6Very high90.8Very high57 Ų5752.8 Ų52.829%0.29228%0.279SS..SBendtrans-124.1109179-53.9176.6000107.5L284 N313 N317L284-I315 HydrophobicContact CD1-CG2 3.98Å; L284-I315 HydrophobicContact CD2-CG2 3.48Å; L284-I315 VanDerWaalsContact CD2-CG2 3.48Å; L284-I315 HydrophobicContact CG-CG2 4.39Å; N313-I315 VanDerWaalsContact C-N 3.33Å; N313-I315 WeakPolarHBondContact OD1-CA 3.45Å; N313-I315 VanDerWaalsContact OD1-CB 3.31Å; N313-I315 WeakPolarHBondContact OD1-CB 3.17Å; N313-I315 PolarHBondContact OD1-N 2.77Å; N313-I315 PolarHBondContact OD1-O 2.8Å; N313-I315 VanDerWaalsContact OD1-O 3.08Å; I315-N317 PolarHBondContact O-N 3.21Å; I315-N317 PolarHBondContact O-ND2 2.94Å
316Q92.3Very high90.1Very high39 Ų3959.3 Ų59.318%0.18231%0.309CS..  trans-62.9103.1170.7170.8-163.4-0.100109.3R218 C318 V319 P321 D323R218-Q316 VanDerWaalsContact CZ-OE1 3.29Å; R218-Q316 VanDerWaalsContact NH1-CB 3.28Å; R218-Q316 VanDerWaalsContact NH1-CG 3.28Å; R218-Q316 PolarHBondContact NH1-O 2.96Å; Q316-C318 WeakPolarHBondContact CG-O 3.48Å; Q316-C318 PolarHBondContact NE2-O 3.04Å; Q316-V319 PolarHBondContact NE2-O 2.91Å; Q316-P321 HydrophobicContact CB-CB 4.44Å; Q316-P321 HydrophobicContact CG-CB 3.99Å; Q316-D323 WeakPolarHBondContact CA-OD2 3.36Å
317N93.5Very high89.7Confident0 Ų060.9 Ų60.90%032%0.32CS..  trans-91.4-31.5176.3-91.1-78.7000110.7E181 Y216 T286 M304 I306 L310 I315 D323E181-N317 PolarHBondContact OE2-ND2 3.22Å; Y216-N317 WeakPolarHBondContact CD1-O 3.14Å; T286-N317 WeakPolarHBondContact CB-OD1 3.41Å; T286-N317 HydrophobicContact CG2-CB 3.84Å; T286-N317 WeakPolarHBondContact CG2-OD1 3.23Å; T286-N317 PolarHBondContact OG1-OD1 3.22Å; M304-N317 WeakPolarHBondContact CE-O 3.35Å; I306-N317 HydrophobicContact CD1-CB 4.21Å; L310-N317 HydrophobicContact CB-CB 4.4Å; I315-N317 PolarHBondContact O-N 3.21Å; I315-N317 PolarHBondContact O-ND2 2.94Å; N317-D323 WeakPolarHBondContact CA-OD2 3.47Å; N317-D323 PolarHBondContact N-OD2 2.74Å
318C92.6Very high88.9Confident0 Ų067.9 Ų67.90%035%0.348CS..SBendtrans-74150.2173.5-70.10000112.8C300 Q316 Y320 D323C300-C318 HydrophobicContact CB-CB 3.64Å; C300-C318 WeakPolarHBondContact CB-SG 3.3Å; C300-C318 VanDerWaalsContact SG-CA 3.59Å; C300-C318 WeakPolarHBondContact SG-CB 3.4Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.58Å; Q316-C318 WeakPolarHBondContact CG-O 3.48Å; Q316-C318 PolarHBondContact NE2-O 3.04Å; C318-Y320 VanDerWaalsContact C-N 3.27Å; C318-Y320 CarbonylContact C-O 3.59Å; C318-Y320 WeakPolarHBondContact CB-O 3.46Å; C318-Y320 PolarHBondContact O-N 3.4Å; C318-D323 HydrophobicContact CB-CB 4.38Å; C318-D323 PolarHBondContact N-OD2 2.77Å
319V91.9Very high87.6Confident50 Ų5068.4 Ų68.430%0.30336%0.356SS..SBendtrans-53.3-42.61761780000112.6Y216 M260 M304 Q316Y216-V319 HydrophobicContact CE1-CG2 4.35Å; Y216-V319 HydrophobicContact CE2-CG2 4.11Å; M260-V319 HydrophobicContact CE-CG2 4.27Å; M304-V319 HydrophobicContact SD-CG2 3.8Å; Q316-V319 PolarHBondContact NE2-O 2.91Å
320Y90.6Very high85.9Confident143 Ų14374.3 Ų74.356%0.56138%0.375SS*.SBendtrans-112.2151.1166.2-56.5-79.3000108.7C318 W322C318-Y320 VanDerWaalsContact C-N 3.27Å; C318-Y320 CarbonylContact C-O 3.59Å; C318-Y320 WeakPolarHBondContact CB-O 3.46Å; C318-Y320 PolarHBondContact O-N 3.4Å; Y320-W322 PolarHBondContact O-N 3.23Å
321P89.7Confident84Confident45 Ų4578.6 Ų78.629%0.29240%0.401SS..SBendtrans-7345.3-171.429.1-35.2000115.6Q316 D323 E324 N325Q316-P321 HydrophobicContact CB-CB 4.44Å; Q316-P321 HydrophobicContact CG-CB 3.99Å; P321-D323 VanDerWaalsContact C-N 3.3Å; P321-D323 VanDerWaalsContact C-OD1 3.22Å; P321-D323 VanDerWaalsContact CA-OD1 3.29Å; P321-D323 WeakPolarHBondContact CA-OD1 3Å; P321-E324 PolarHBondContact O-N 2.9Å; P321-N325 WeakPolarHBondContact O-CB 3.24Å; P321-N325 PolarHBondContact O-N 3.36Å; P321-N325 PolarHBondContact O-ND2 2.82Å; P321-N325 PolarHBondContact O-OD1 3.29Å
322W89.6Confident82.1Confident104 Ų10482 Ų8239%0.39442%0.418SS..Hα-helixtrans-69.5-26.9177.2-65.7117.6000113.6F298 C300 Y320F298-W322 HydrophobicContact CE1-CB 4.47Å; C300-W322 VanDerWaalsContact O-CD1 3.31Å; Y320-W322 PolarHBondContact O-N 3.23Å
323D91.1Very high80.2Confident1 Ų182.5 Ų82.51%0.00542%0.419CS..Hα-helixtrans-64.6-42.3171.944.80.5000112.9F298 I306 V311 C312 Q316 N317 C318 P321 C327F298-D323 HydrophobicContact CE1-CB 4.38Å; I306-D323 HydrophobicContact CD1-CB 4.19Å; V311-D323 WeakPolarHBondContact CG1-O 3.46Å; C312-D323 PolarHBondContact N-O 2.92Å; Q316-D323 WeakPolarHBondContact CA-OD2 3.36Å; N317-D323 WeakPolarHBondContact CA-OD2 3.47Å; N317-D323 PolarHBondContact N-OD2 2.74Å; C318-D323 HydrophobicContact CB-CB 4.38Å; C318-D323 PolarHBondContact N-OD2 2.77Å; P321-D323 VanDerWaalsContact C-N 3.3Å; P321-D323 VanDerWaalsContact C-OD1 3.22Å; P321-D323 VanDerWaalsContact CA-OD1 3.29Å; P321-D323 WeakPolarHBondContact CA-OD1 3Å; D323-C327 PolarHBondContact O-SG 3.06Å
324E91.7Very high78.3Confident48 Ų4886.5 Ų86.522%0.22443%0.434CS..Hα-helixtrans-96.8-30-176.9-64.5-62.3127.100113.4C312 N313 G314 P321 Q326 C327C312-E324 VanDerWaalsContact C-OE1 3.32Å; C312-E324 WeakPolarHBondContact CA-OE1 3.35Å; C312-E324 PolarHBondContact N-OE1 2.73Å; N313-E324 PolarHBondContact N-OE1 2.72Å; G314-E324 VanDerWaalsContact CA-OE2 3.23Å; G314-E324 WeakPolarHBondContact CA-OE2 3.08Å; G314-E324 VanDerWaalsContact N-CD 3.32Å; G314-E324 PolarHBondContact N-OE1 3.48Å; G314-E324 PolarHBondContact N-OE2 3.38Å; P321-E324 PolarHBondContact O-N 2.9Å; E324-Q326 VanDerWaalsContact C-N 3.34Å; E324-Q326 PolarHBondContact O-N 2.89Å; E324-C327 WeakPolarHBondContact O-CB 3.32Å; E324-C327 PolarHBondContact O-N 3.42Å; E324-C327 PolarHBondContact O-SG 2.92Å
325N85.6Confident76.6Confident113 Ų11391.3 Ų91.360%0.60444%0.438SS*.Hα-helixtrans-70.1-23.1-175.2-76-9000114.8P321P321-N325 WeakPolarHBondContact O-CB 3.24Å; P321-N325 PolarHBondContact O-N 3.36Å; P321-N325 PolarHBondContact O-ND2 2.82Å; P321-N325 PolarHBondContact O-OD1 3.29Å
326Q79.2Confident75Confident141 Ų14194.5 Ų94.566%0.65946%0.455SS*.THydrogen-bonded Turntrans-98.87.1-179.4-61.5-165.112.200113.2E324 K328E324-Q326 VanDerWaalsContact C-N 3.34Å; E324-Q326 PolarHBondContact O-N 2.89Å; Q326-K328 PolarHBondContact O-N 3.46Å
327C83.3Confident73.1Confident35 Ų3597.9 Ų97.924%0.23647%0.474CS..  trans-64.3124.4176-61.20000110.6C312 D323 E324 E329C312-C327 WeakPolarHBondContact CA-SG 3.12Å; C312-C327 HydrophobicContact CB-CB 3.95Å; C312-C327 WeakPolarHBondContact CB-SG 3.28Å; C312-C327 WeakPolarHBondContact SG-CA 3.41Å; C312-C327 WeakPolarHBondContact SG-CB 3.44Å; C312-C327 CovalentContact SG-SG 2.02Å; C312-C327 PolarHBondContact SG-SG 3.11Å; D323-C327 PolarHBondContact O-SG 3.06Å; E324-C327 WeakPolarHBondContact O-CB 3.32Å; E324-C327 PolarHBondContact O-N 3.42Å; E324-C327 PolarHBondContact O-SG 2.92Å; C327-E329 PolarHBondContact O-N 2.78Å
328K75Confident71.2Confident202 Ų202103.3 Ų103.388%0.87850%0.503SS*.  trans-60.4111.7162.1-68.4-179.9-178.1176.80106.7Q326 K330Q326-K328 PolarHBondContact O-N 3.46Å; K328-K330 PolarHBondContact O-N 3.45Å
329E62.3Low69.5Low161 Ų161107.7 Ų107.775%0.75253%0.526SS*.  trans-48.7118.9171.4-74.5-169.1172.400108.4C327 T331C327-E329 PolarHBondContact O-N 2.78Å; E329-T331 HydrophobicContact CB-CG2 3.95Å; E329-T331 PolarHBondContact O-N 3.43Å; E329-T331 WeakPolarHBondContact OE2-CG2 2.99Å
330K54.2Low68.4Low198 Ų198110.4 Ų110.486%0.86154%0.539SS*.  trans-70.774.1153.2-76.6177.3-178.7164.30106.2K328 N332K328-K330 PolarHBondContact O-N 3.45Å; K330-N332 PolarHBondContact O-N 3.32Å
331T52.1Low67Low91 Ų91108.8 Ų108.856%0.55855%0.548SS*.  trans-48.2111.2164.344.10000105.7E329 T333E329-T331 HydrophobicContact CB-CG2 3.95Å; E329-T331 PolarHBondContact O-N 3.43Å; E329-T331 WeakPolarHBondContact OE2-CG2 2.99Å; T331-T333 PolarHBondContact O-N 3.44Å
332N52.1Low65.9Low110 Ų110111 Ų11159%0.58856%0.561SS**  trans-73.183.8178.6-98.1-70.9000106.4K330 K334 F335K330-N332 PolarHBondContact O-N 3.32Å; N332-K334 HydrophobicContact CB-CB 4.36Å; N332-K334 PolarHBondContact O-N 3.03Å; N332-F335 PolarHBondContact O-N 3.36Å
333T50.2Low64.8Low79 Ų79109.5 Ų109.549%0.48556%0.561SS.*THydrogen-bonded Turntrans-49.9-33.6173.467.60000109.6T331 F335 L336 D337T331-T333 PolarHBondContact O-N 3.44Å; T333-F335 PolarHBondContact O-N 2.9Å; T333-L336 CarbonylContact O-C 3.51Å; T333-L336 WeakPolarHBondContact O-CA 3.22Å; T333-L336 PolarHBondContact O-N 2.95Å; T333-D337 VanDerWaalsContact C-CG 3.48Å; T333-D337 WeakPolarHBondContact CB-OD2 3.03Å; T333-D337 VanDerWaalsContact O-CG 3.24Å; T333-D337 PolarHBondContact O-N 3.34Å; T333-D337 PolarHBondContact OG1-OD2 3.07Å
334K48.9Very low63.9Low137 Ų137111.5 Ų111.560%0.59658%0.582SS**Hα-helixtrans-34.9-29.2162.8-66.3-171.5179.1-179.90116.6N332 D337 N338N332-K334 HydrophobicContact CB-CB 4.36Å; N332-K334 PolarHBondContact O-N 3.03Å; K334-D337 PolarHBondContact N-OD2 2.93Å; K334-N338 VanDerWaalsContact O-CB 3.31Å; K334-N338 WeakPolarHBondContact O-CB 3.38Å; K334-N338 PolarHBondContact O-N 2.87Å; K334-N338 PolarHBondContact O-ND2 3.16Å
335F52.8Low63Low164 Ų164112 Ų11272%0.71959%0.593SS**Hα-helixtrans-74.1-43.1174.1-173.4-99.7000112.3N332 T333N332-F335 PolarHBondContact O-N 3.36Å; T333-F335 PolarHBondContact O-N 2.9Å
336L55.6Low62.7Low124 Ų124111.5 Ų111.565%0.64959%0.59SS**Hα-helixtrans-79.6-37175.8-61.4178.8000111.4T333 N338 L339T333-L336 CarbonylContact O-C 3.51Å; T333-L336 WeakPolarHBondContact O-CA 3.22Å; T333-L336 PolarHBondContact O-N 2.95Å; L336-N338 PolarHBondContact O-N 2.85Å; L336-L339 WeakPolarHBondContact O-CB 3.11Å; L336-L339 PolarHBondContact O-N 3.29Å
337D54.4Low62.8Low109 Ų109109.2 Ų109.258%0.58358%0.581SS**Hα-helixtrans-66.2-19.1176.7-57.8-31.9000113T333 K334T333-D337 VanDerWaalsContact C-CG 3.48Å; T333-D337 WeakPolarHBondContact CB-OD2 3.03Å; T333-D337 VanDerWaalsContact O-CG 3.24Å; T333-D337 PolarHBondContact O-N 3.34Å; T333-D337 PolarHBondContact OG1-OD2 3.07Å; K334-D337 PolarHBondContact N-OD2 2.93Å
338N52.2Low62.7Low114 Ų114109.2 Ų109.261%0.6159%0.588SS**THydrogen-bonded Turntrans-85.5-6.4173.1-91.8-75.4000114.1K334 L336 N340K334-N338 VanDerWaalsContact O-CB 3.31Å; K334-N338 WeakPolarHBondContact O-CB 3.38Å; K334-N338 PolarHBondContact O-N 2.87Å; K334-N338 PolarHBondContact O-ND2 3.16Å; L336-N338 PolarHBondContact O-N 2.85Å; N338-N340 PolarHBondContact O-N 2.82Å
339L58.3Low63.3Low92 Ų92103.8 Ų103.848%0.48257%0.571SS.*  trans-78.870.3169.1-71.8173.5000110.1L336 N343L336-L339 WeakPolarHBondContact O-CB 3.11Å; L336-L339 PolarHBondContact O-N 3.29Å; L339-N343 HydrophobicContact CD2-CB 4.28Å
340N67.1Low64.5Low108 Ų10899.5 Ų99.558%0.57856%0.556SS**  trans-43.7141.1167.3-96.8-34.7000110.7N338 T342 N343 G344N338-N340 PolarHBondContact O-N 2.82Å; N340-T342 PolarHBondContact O-N 2.93Å; N340-N343 WeakPolarHBondContact O-CB 3.18Å; N340-N343 PolarHBondContact O-N 2.84Å; N340-G344 PolarHBondContact O-N 2.98Å
341S61.4Low66.2Low108 Ų10893.2 Ų93.276%0.75554%0.536SS*.Hα-helixtrans-49-35.3-174.1-177.90000114N343 G344 A345S341-N343 PolarHBondContact O-N 3.14Å; S341-G344 PolarHBondContact O-N 2.61Å; S341-A345 WeakPolarHBondContact O-CB 3.44Å; S341-A345 PolarHBondContact O-N 3.22Å
342T66.1Low67.9Low92 Ų9292.6 Ų92.656%0.56454%0.535SS*.Hα-helixtrans-58.4-42.2172.537.60000114N340 A345 I346N340-T342 PolarHBondContact O-N 2.93Å; T342-A345 PolarHBondContact O-N 2.99Å; T342-I346 WeakPolarHBondContact O-CD1 3.13Å; T342-I346 VanDerWaalsContact O-CG1 3.22Å; T342-I346 WeakPolarHBondContact O-CG1 3.43Å; T342-I346 PolarHBondContact O-N 3.45Å
343N68.1Low69.8Low73 Ų7391.5 Ų91.539%0.3953%0.528SS..Hα-helixtrans-67.7-41.8178.8-66.2-15.3000110.9L339 N340 S341 I346 I347L339-N343 HydrophobicContact CD2-CB 4.28Å; N340-N343 WeakPolarHBondContact O-CB 3.18Å; N340-N343 PolarHBondContact O-N 2.84Å; S341-N343 PolarHBondContact O-N 3.14Å; N343-I346 PolarHBondContact O-N 3.12Å; N343-I347 WeakPolarHBondContact O-CG1 3.42Å; N343-I347 PolarHBondContact O-N 2.74Å
344G71.3Confident71.9Confident43 Ų4391.7 Ų91.744%0.44353%0.529SS..Hα-helixtrans-60.9-43173.100000112.4N340 S341 I347 G348N340-G344 PolarHBondContact O-N 2.98Å; S341-G344 PolarHBondContact O-N 2.61Å; G344-I347 PolarHBondContact O-N 3.28Å; G344-G348 PolarHBondContact O-N 3.42Å
345A72.9Confident73.9Confident57 Ų5791.8 Ų91.847%0.47153%0.529SS..Hα-helixtrans-63.6-41.8175.300000112.7S341 T342 G348 V349S341-A345 WeakPolarHBondContact O-CB 3.44Å; S341-A345 PolarHBondContact O-N 3.22Å; T342-A345 PolarHBondContact O-N 2.99Å; A345-G348 PolarHBondContact O-N 2.91Å; A345-V349 WeakPolarHBondContact O-CB 3.4Å; A345-V349 VanDerWaalsContact O-CG2 3.31Å; A345-V349 WeakPolarHBondContact O-CG2 3.47Å; A345-V349 PolarHBondContact O-N 2.51Å
346I78.6Confident75.8Confident103 Ų10389 Ų8953%0.52852%0.521SS..Hα-helixtrans-64.5-43.2177.8-70.7161.6000111.2T342 N343 T350T342-I346 WeakPolarHBondContact O-CD1 3.13Å; T342-I346 VanDerWaalsContact O-CG1 3.22Å; T342-I346 WeakPolarHBondContact O-CG1 3.43Å; T342-I346 PolarHBondContact O-N 3.45Å; N343-I346 PolarHBondContact O-N 3.12Å; I346-T350 WeakPolarHBondContact O-CB 3.21Å; I346-T350 WeakPolarHBondContact O-CG2 3.49Å; I346-T350 PolarHBondContact O-N 2.03Å; I346-T350 PolarHBondContact O-OG1 2.88Å
347I81.8Confident77.4Confident93 Ų9388.4 Ų88.448%0.47752%0.518SS..Hα-helixtrans-63.7-45.8175.4-67.5163.5000110.1N343 G344 V349 T350 C351N343-I347 WeakPolarHBondContact O-CG1 3.42Å; N343-I347 PolarHBondContact O-N 2.74Å; G344-I347 PolarHBondContact O-N 3.28Å; I347-V349 PolarHBondContact O-N 3.01Å; I347-T350 PolarHBondContact O-N 2.82Å; I347-T350 PolarHBondContact O-OG1 3.48Å; I347-T350 VanDerWaalsContact O-OG1 3.09Å; I347-C351 WeakPolarHBondContact O-CB 3.27Å; I347-C351 PolarHBondContact O-N 2.92Å; I347-C351 PolarHBondContact O-SG 3.13Å; I347-C351 VanDerWaalsContact O-SG 3.36Å
348G82.1Confident79.1Confident36 Ų3688 Ų8837%0.37152%0.515SS..Hα-helixtrans-59.5-48.2176.800000113.2G344 A345 C351 C352G344-G348 PolarHBondContact O-N 3.42Å; A345-G348 PolarHBondContact O-N 2.91Å; G348-C351 PolarHBondContact O-N 3.18Å; G348-C352 WeakPolarHBondContact O-CB 3.22Å; G348-C352 PolarHBondContact O-N 3.13Å; G348-C352 PolarHBondContact O-SG 2.75Å; G348-C352 VanDerWaalsContact O-SG 3.34Å
349V87.5Confident80.9Confident87 Ų8787.2 Ų87.253%0.52751%0.51SS..Hα-helixtrans-64-43.5178.6169.50000111.8A345 I347 C352 I353A345-V349 WeakPolarHBondContact O-CB 3.4Å; A345-V349 VanDerWaalsContact O-CG2 3.31Å; A345-V349 WeakPolarHBondContact O-CG2 3.47Å; A345-V349 PolarHBondContact O-N 2.51Å; I347-V349 PolarHBondContact O-N 3.01Å; V349-C352 PolarHBondContact O-N 3.02Å; V349-I353 HydrophobicContact CG1-CD1 3.82Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.26Å; V349-I353 PolarHBondContact O-N 3.15Å
350T87.6Confident82.3Confident72 Ų7286.4 Ų86.444%0.44251%0.508SS..Hα-helixtrans-67.2-40.7178.649.10000112.2I346 I347 I353 V354I346-T350 WeakPolarHBondContact O-CB 3.21Å; I346-T350 WeakPolarHBondContact O-CG2 3.49Å; I346-T350 PolarHBondContact O-N 2.03Å; I346-T350 PolarHBondContact O-OG1 2.88Å; I347-T350 PolarHBondContact O-N 2.82Å; I347-T350 PolarHBondContact O-OG1 3.48Å; I347-T350 VanDerWaalsContact O-OG1 3.09Å; T350-I353 PolarHBondContact O-N 2.87Å; T350-V354 WeakPolarHBondContact O-CG2 3.22Å; T350-V354 PolarHBondContact O-N 2.87Å
351C89.4Confident83.1Confident65 Ų6583.8 Ų83.844%0.43950%0.499SS..Hα-helixtrans-59.7-45.5171.4-73.10000112.1I347 G348 I353 V354 F355I347-C351 WeakPolarHBondContact O-CB 3.27Å; I347-C351 PolarHBondContact O-N 2.92Å; I347-C351 PolarHBondContact O-SG 3.13Å; I347-C351 VanDerWaalsContact O-SG 3.36Å; G348-C351 PolarHBondContact O-N 3.18Å; C351-I353 PolarHBondContact O-N 3.49Å; C351-V354 PolarHBondContact O-N 2.94Å; C351-F355 WeakPolarHBondContact O-CD2 3.25Å; C351-F355 PolarHBondContact O-N 3.48Å
352C88.6Confident84.3Confident78 Ų7882.4 Ų82.453%0.52749%0.485SS..Hα-helixtrans-61-41.3176.4-750000112.7G348 V349 F355 I356G348-C352 WeakPolarHBondContact O-CB 3.22Å; G348-C352 PolarHBondContact O-N 3.13Å; G348-C352 PolarHBondContact O-SG 2.75Å; G348-C352 VanDerWaalsContact O-SG 3.34Å; V349-C352 PolarHBondContact O-N 3.02Å; C352-F355 PolarHBondContact O-N 2.74Å; C352-I356 VanDerWaalsContact O-CG1 3.3Å; C352-I356 WeakPolarHBondContact O-CG1 3.49Å; C352-I356 PolarHBondContact O-N 3.35Å
353I92.1Very high85.1Confident87 Ų8782.2 Ų82.245%0.44648%0.48SS..Hα-helixtrans-62.4-44175.2-69.8165.1000110.8V349 T350 C351 F355 I356 L357V349-I353 HydrophobicContact CG1-CD1 3.82Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.26Å; V349-I353 PolarHBondContact O-N 3.15Å; T350-I353 PolarHBondContact O-N 2.87Å; C351-I353 PolarHBondContact O-N 3.49Å; I353-F355 PolarHBondContact O-N 2.65Å; I353-I356 PolarHBondContact O-N 3.44Å; I353-L357 HydrophobicContact CG2-CD1 3.97Å; I353-L357 HydrophobicContact CG2-CG 4.43Å; I353-L357 WeakPolarHBondContact O-CG 3.39Å; I353-L357 PolarHBondContact O-N 3.44Å
354V92.7Very high85.6Confident83 Ų8382.2 Ų82.250%0.50348%0.483SS..Hα-helixtrans-62.3-43.2176.5171.40000111.4T350 C351 I356 L357 L358T350-V354 WeakPolarHBondContact O-CG2 3.22Å; T350-V354 PolarHBondContact O-N 2.87Å; C351-V354 PolarHBondContact O-N 2.94Å; V354-I356 PolarHBondContact O-N 2.95Å; V354-L357 PolarHBondContact O-N 2.74Å; V354-L358 HydrophobicContact CG1-CD1 4.11Å; V354-L358 HydrophobicContact CG1-CG 4.48Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 2.93Å
355F92.6Very high85.6Confident140 Ų14086.7 Ų86.761%0.61449%0.492SS*.Hα-helixtrans-60.9-43174.5-93.2-76.5000112.6C351 C352 I353 L358 I359C351-F355 WeakPolarHBondContact O-CD2 3.25Å; C351-F355 PolarHBondContact O-N 3.48Å; C352-F355 PolarHBondContact O-N 2.74Å; I353-F355 PolarHBondContact O-N 2.65Å; F355-L358 PolarHBondContact O-N 3.13Å; F355-I359 VanDerWaalsContact O-CG1 3.28Å; F355-I359 WeakPolarHBondContact O-CG1 3.44Å; F355-I359 PolarHBondContact O-N 2.67Å
356I92.2Very high85.5Confident105 Ų10590.2 Ų90.254%0.53850%0.502SS..Hα-helixtrans-62.6-43.3176-69.6164.2000110.9C352 I353 V354 L358 I359 V360C352-I356 VanDerWaalsContact O-CG1 3.3Å; C352-I356 WeakPolarHBondContact O-CG1 3.49Å; C352-I356 PolarHBondContact O-N 3.35Å; I353-I356 PolarHBondContact O-N 3.44Å; V354-I356 PolarHBondContact O-N 2.95Å; I356-L358 PolarHBondContact O-N 3.13Å; I356-I359 PolarHBondContact O-N 2.93Å; I356-V360 WeakPolarHBondContact O-CG2 3.33Å; I356-V360 PolarHBondContact O-N 2.87Å
357L89.4Confident84.9Confident111 Ų11193.5 Ų93.558%0.58151%0.512SS*.Hα-helixtrans-64.9-37.3177.2-70.8171.8000112.6I353 V354 V360 S361I353-L357 HydrophobicContact CG2-CD1 3.97Å; I353-L357 HydrophobicContact CG2-CG 4.43Å; I353-L357 WeakPolarHBondContact O-CG 3.39Å; I353-L357 PolarHBondContact O-N 3.44Å; V354-L357 PolarHBondContact O-N 2.74Å; L357-V360 PolarHBondContact O-N 2.77Å; L357-S361 WeakPolarHBondContact O-CB 3.28Å; L357-S361 PolarHBondContact O-N 3.4Å
358L90.1Very high83.8Confident100 Ų10095.5 Ų95.552%0.52452%0.519SS..Hα-helixtrans-64.8-44.4173-72.1170.9000111.6V354 F355 I356 V360 S361 V362V354-L358 HydrophobicContact CG1-CD1 4.11Å; V354-L358 HydrophobicContact CG1-CG 4.48Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 2.93Å; F355-L358 PolarHBondContact O-N 3.13Å; I356-L358 PolarHBondContact O-N 3.13Å; L358-V360 PolarHBondContact O-N 3.06Å; L358-S361 WeakPolarHBondContact O-CB 3.39Å; L358-S361 PolarHBondContact O-N 3.43Å; L358-V362 WeakPolarHBondContact O-CG2 3.28Å; L358-V362 PolarHBondContact O-N 2.92Å
359I89.2Confident82.2Confident98 Ų9899.2 Ų99.250%0.50354%0.537SS..Hα-helixtrans-61.2-44.4175.7-69.1164.6000110.7F355 I356 V362 I363F355-I359 VanDerWaalsContact O-CG1 3.28Å; F355-I359 WeakPolarHBondContact O-CG1 3.44Å; F355-I359 PolarHBondContact O-N 2.67Å; I356-I359 PolarHBondContact O-N 2.93Å; I359-V362 PolarHBondContact O-N 3.05Å; I359-I363 HydrophobicContact CG2-CD1 3.79Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.36Å; I359-I363 PolarHBondContact O-N 2.87Å
360V88.1Confident80.6Confident75 Ų75106.7 Ų106.746%0.45556%0.556SS.*Hα-helixtrans-62.6-42.3175.5170.60000111.4I356 L357 L358 V362 I363 V364I356-V360 WeakPolarHBondContact O-CG2 3.33Å; I356-V360 PolarHBondContact O-N 2.87Å; L357-V360 PolarHBondContact O-N 2.77Å; L358-V360 PolarHBondContact O-N 3.06Å; V360-V362 PolarHBondContact O-N 2.85Å; V360-I363 PolarHBondContact O-N 3.38Å; V360-V364 HydrophobicContact CG1-CG2 4.43Å; V360-V364 WeakPolarHBondContact O-CG2 3.23Å; V360-V364 PolarHBondContact O-N 2.9Å
361S84.1Confident78.7Confident54 Ų54112.7 Ų112.738%0.37858%0.576SS.*Hα-helixtrans-59.5-45.1175.7-174.80000111.9L357 L358 V364 Q365L357-S361 WeakPolarHBondContact O-CB 3.28Å; L357-S361 PolarHBondContact O-N 3.4Å; L358-S361 WeakPolarHBondContact O-CB 3.39Å; L358-S361 PolarHBondContact O-N 3.43Å; S361-V364 PolarHBondContact O-N 2.95Å; S361-Q365 VanDerWaalsContact O-CG 3.31Å; S361-Q365 WeakPolarHBondContact O-CG 3.07Å; S361-Q365 PolarHBondContact O-N 3.36Å; S361-Q365 PolarHBondContact OG-NE2 3.45Å
362V86.4Confident76.8Confident78 Ų78119 Ų11947%0.47360%0.595SS.*Hα-helixtrans-62.4-44175.2170.60000111.4L358 I359 V360 V364 Q365 I366L358-V362 WeakPolarHBondContact O-CG2 3.28Å; L358-V362 PolarHBondContact O-N 2.92Å; I359-V362 PolarHBondContact O-N 3.05Å; V360-V362 PolarHBondContact O-N 2.85Å; V362-V364 VanDerWaalsContact C-N 3.34Å; V362-V364 PolarHBondContact O-N 2.6Å; V362-Q365 PolarHBondContact O-N 2.97Å; V362-I366 HydrophobicContact CG1-CD1 3.75Å; V362-I366 HydrophobicContact CG1-CG1 4.49Å; V362-I366 VanDerWaalsContact O-CG1 3.29Å; V362-I366 WeakPolarHBondContact O-CG1 3.26Å; V362-I366 PolarHBondContact O-N 2.9Å
363I82.4Confident74.8Confident89 Ų89125.4 Ų125.446%0.45661%0.61SS.*Hα-helixtrans-63-38.7177.1-69.5166.3000111.7I359 V360 I366 K367I359-I363 HydrophobicContact CG2-CD1 3.79Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.36Å; I359-I363 PolarHBondContact O-N 2.87Å; V360-I363 PolarHBondContact O-N 3.38Å; I363-I366 PolarHBondContact O-N 2.94Å; I363-K367 WeakPolarHBondContact O-CB 3.43Å; I363-K367 PolarHBondContact O-N 2.87Å
364V79.4Confident72.5Confident73 Ų73128.8 Ų128.844%0.44263%0.628SS.*Hα-helixtrans-65.9-43.6174.9170.20000111.1V360 S361 V362 I366 K367 Q368V360-V364 HydrophobicContact CG1-CG2 4.43Å; V360-V364 WeakPolarHBondContact O-CG2 3.23Å; V360-V364 PolarHBondContact O-N 2.9Å; S361-V364 PolarHBondContact O-N 2.95Å; V362-V364 VanDerWaalsContact C-N 3.34Å; V362-V364 PolarHBondContact O-N 2.6Å; V364-I366 VanDerWaalsContact C-N 3.28Å; V364-I366 PolarHBondContact O-N 2.8Å; V364-K367 PolarHBondContact O-N 3.1Å; V364-Q368 PolarHBondContact O-N 3.47Å
365Q69.7Low70Confident136 Ų136132.4 Ų132.464%0.63664%0.643SS**Hα-helixtrans-63.5-32.4175.9-70.6174.343.300112.8S361 V362S361-Q365 VanDerWaalsContact O-CG 3.31Å; S361-Q365 WeakPolarHBondContact O-CG 3.07Å; S361-Q365 PolarHBondContact O-N 3.36Å; S361-Q365 PolarHBondContact OG-NE2 3.45Å; V362-Q365 PolarHBondContact O-N 2.97Å
366I72.1Confident67.3Low132 Ų132136.3 Ų136.368%0.67765%0.654SS**Hα-helixtrans-73.5-37.1174-69.5166.1000111.7V362 I363 V364V362-I366 HydrophobicContact CG1-CD1 3.75Å; V362-I366 HydrophobicContact CG1-CG1 4.49Å; V362-I366 VanDerWaalsContact O-CG1 3.29Å; V362-I366 WeakPolarHBondContact O-CG1 3.26Å; V362-I366 PolarHBondContact O-N 2.9Å; I363-I366 PolarHBondContact O-N 2.94Å; V364-I366 VanDerWaalsContact C-N 3.28Å; V364-I366 PolarHBondContact O-N 2.8Å
367K65.2Low64.9Low172 Ų172142 Ų14275%0.74867%0.669SS**Hα-helixtrans-83.8-12.6-178.2-84.6-165.8172.4-175.30115.5I363 V364 P369I363-K367 WeakPolarHBondContact O-CB 3.43Å; I363-K367 PolarHBondContact O-N 2.87Å; V364-K367 PolarHBondContact O-N 3.1Å; K367-P369 VanDerWaalsContact O-CD 3.3Å; K367-P369 WeakPolarHBondContact O-CD 3.31Å
368Q58.2Low62.4Low134 Ų134144.2 Ų144.263%0.62668%0.676SS**SBendtrans-77.6115.6171.8-74-169.312.400110.8V364 R370V364-Q368 PolarHBondContact O-N 3.47Å; Q368-R370 PolarHBondContact O-N 2.89Å; Q368-R370 VanDerWaalsContact O-N 3.14Å
369P49.9Very low59.7Low114 Ų114146.2 Ų146.274%0.7469%0.687SS**  trans-67.7116.4176.527.8-33.3000109.5K367 K371K367-P369 VanDerWaalsContact O-CD 3.3Å; K367-P369 WeakPolarHBondContact O-CD 3.31Å; P369-K371 PolarHBondContact O-N 2.92Å
370R53.7Low57Low244 Ų244150.5 Ų150.592%0.92170%0.703SS**  trans-56.3104.1176.7-65.2-174.5-173.9-176.13109.9Q368 K372Q368-R370 PolarHBondContact O-N 2.89Å; Q368-R370 VanDerWaalsContact O-N 3.14Å; R370-K372 PolarHBondContact O-N 3.28Å
371K48.4Very low54.4Low198 Ų198153.8 Ų153.886%0.86172%0.717SS**  trans-6597.5171.7-73.9-173.4176.8-178.70109P369 Y373P369-K371 PolarHBondContact O-N 2.92Å; K371-Y373 PolarHBondContact O-N 2.95Å
372K49.4Very low52.6Low197 Ų197155.4 Ų155.486%0.85773%0.727SS**  trans-63.2103.5167.9-67.3-177.6179.2-178.50108.1R370R370-K372 PolarHBondContact O-N 3.28Å
373Y45.3Very low50Low213 Ų213158.6 Ų158.684%0.83575%0.746SS**PPolyproline II helixtrans-76.6132.2165.158.3-91.1000108.5K371K371-Y373 PolarHBondContact O-N 2.95Å
374I44.5Very low47.8Very low159 Ų159163.3 Ų163.382%0.81577%0.769SS**PPolyproline II helixtrans-96.6118-179.8-63.9172.9000107R376I374-R376 PolarHBondContact O-N 2.99Å
375L40.5Very low45.8Very low158 Ų158168.5 Ų168.583%0.82779%0.786SS**PPolyproline II helixtrans-77.5120.6173.9-165.974.6000108.9
376R35.8Very low44Very low223 Ų223168.5 Ų168.584%0.84279%0.786SS**  trans-111.6134.2172.7-165.6174.3-173.8139.72.6108.3I374I374-R376 PolarHBondContact O-N 2.99Å
377R41.3Very low42.1Very low225 Ų225168 Ų16885%0.84978%0.781SS**  trans-131104.8-172.1173.9-160164.2160.6-0110.4
378E36.8Very low40.4Very low156 Ų156167 Ų16773%0.72979%0.788SS**  trans-156.1137159.5-66.6176.1162.800104.1
379D34.1Very low39.1Very low142 Ų142168.6 Ų168.676%0.75979%0.794SS**  cis-151172.9-14.3-94.2-36.5000110.1
380F31.8Very low38.4Very low189 Ų189170.5 Ų170.583%0.82979%0.793SS**  trans-88149.8172.3-110.6-114.4000110.9
381D34.5Very low37.5Very low143 Ų143164.2 Ų164.277%0.76578%0.783SS**  178.6-177.8104.3-13428.1000111.3
382P45.4Very low37.4Very low89 Ų89160.3 Ų160.358%0.57878%0.779SS**  -139.1108.3-113.140.3-18.2000116.8
383T32.7Very low36.5Very low144 Ų144158.8 Ų158.888%0.88377%0.774SS**  trans-145.774.7166.557.90000115
384M36.4Very low35.8Very low188 Ų188158.8 Ų158.893%0.92677%0.774SS**  trans-155.3106.7147.1-154.1166.4-170.100110.9
385F35.5Very low35.3Very low183 Ų183159 Ų15980%0.80377%0.772SS**  trans-68.6139.5178.4-95.3-118.5000110.9
386Q33.2Very low34.9Very low135 Ų135159.2 Ų159.263%0.63177%0.773SS**  68.2132.681.9-129.665.716.500110.7
387E32Very low34.6Very low123 Ų123154.4 Ų154.458%0.57577%0.772SS**  cis-165.5152.75.9-146.3162.3-136.800110.4F389E387-F389 HydrophobicContact CG-CD2 4.36Å; E387-F389 HydrophobicContact CG-CE2 4.46Å; E387-F389 WeakPolarHBondContact OE2-CE2 3.45Å
388V29.5Very low34.2Very low149 Ų149150.3 Ų150.390%0.90377%0.772SS**  trans-144.3132.5144.4-177.30000108.7
389F30.3Very low33.9Very low168 Ų168151.6 Ų151.674%0.73778%0.783SS**  trans-68.3155.3-166.8-96.8-118.1000117.5E387E387-F389 HydrophobicContact CG-CD2 4.36Å; E387-F389 HydrophobicContact CG-CE2 4.46Å; E387-F389 WeakPolarHBondContact OE2-CE2 3.45Å
390E35.4Very low33.8Very low154 Ų154156.1 Ų156.172%0.7279%0.789SS**  trans-115.4150.7160.3177.5179.3-116.200109
391P35.8Very low33.7Very low112 Ų112152.7 Ų152.773%0.72779%0.789SS**  trans-150.7170.3137.840.8-26.5000114.4
392P45.9Very low33.5Very low117 Ų117150.9 Ų150.976%0.7679%0.794SS**  -132.9176.5-51.638.9-23.1000112.7
393H30.9Very low32.8Very low164 Ų164150.6 Ų150.676%0.75980%0.799SS**  trans-79.5167.2178.4-74.7-101.6000115
394Y29Very low32.7Very low213 Ų213150 Ų15084%0.83580%0.795SS**  trans-130.5156.9136.281.4-97.7000110.8
395E33.8Very low32.9Very low165 Ų165146 Ų14677%0.77178%0.783SS**  trans-108.4166.8-171.1-58.8-171.6139.800113.4
396L33.5Very low32.7Very low161 Ų161143.7 Ų143.784%0.84379%0.785SS**  trans-127.6121.4162.4-84.7169.5000110.2
397C29.8Very low32.4Very low122 Ų122141.7 Ų141.782%0.82479%0.791SS**  trans-72151.9179.4-65.50000112.8
398T32.9Very low32.3Very low139 Ų139140.2 Ų140.285%0.85380%0.8SS**  trans-105.4143.216848.10000110.1
399L30.4Very low32.4Very low184 Ų184138.5 Ų138.596%0.96380%0.795SS**  trans-101.8151.2172.5-88.9172.1000111.7
400R31.2Very low32.4Very low236 Ų236134.4 Ų134.489%0.89179%0.791SS**  trans-122.3120.9-163.2176.3-177.6-178.4140.8-2.7110.7
401S30.5Very low32Very low118 Ų118134 Ų13483%0.82579%0.794SS**  trans-80.2137.9172.7-53.10000111.6
402A29.8Very low31.7Very low104 Ų104135.8 Ų135.886%0.8680%0.797SS**  trans-85.5170.9166.900000111
403A30.7Very low31.1Very low83 Ų83135.7 Ų135.769%0.68679%0.794SS**  trans-138.8174.4-167.600000114.1
404T29.5Very low31.1Very low132 Ų132134.3 Ų134.381%0.8179%0.792SS**  trans88.2157.3162.177.50000117.6
405P42.2Very low31.3Very low104 Ų104131.8 Ų131.868%0.67579%0.792SS**  cis-140.2172-41.432.3-14000115.4
406T29.5Very low31.3Very low135 Ų135127.8 Ų127.883%0.82879%0.787SS**  trans138.9142.6131.357.50000118.3
407A28.8Very low31.4Very low93 Ų93128.6 Ų128.677%0.76979%0.787SS**  trans62.3103.1143.500000124.4
408A29.6Very low31.5Very low91 Ų91129.8 Ų129.875%0.75279%0.785SS**  71.7109.3113.300000124.2
409S30.9Very low31.3Very low114 Ų114132.7 Ų132.780%0.79779%0.786SS**  69.2134.1124.765.60000124.9
410A29.7Very low31.7Very low81 Ų81131.3 Ų131.367%0.66977%0.774SS**  trans93114.6139.300000121.9
411D27.8Very low31.6Very low146 Ų146125.9 Ų125.978%0.78176%0.763SS**  71.6124.6122.2-60.2-6.4000125.7
412L30.1Very low31.5Very low150 Ų150130.1 Ų130.179%0.78576%0.763SS**  trans69.9120.7133.5-89.366000124.4
413V33.2Very low31.7Very low115 Ų115133.9 Ų133.970%0.69776%0.762SS**  87.4138.1125.1165.10000122
414D30.5Very low31.7Very low134 Ų134134.1 Ų134.172%0.71776%0.764SS**  trans6.5151.5156.7-47.4-26.4000120.4
415L33.1Very low31.8Very low161 Ų161136.2 Ų136.284%0.84377%0.769SS**  cis-130.9158.627.3-8380000111.4
416A32.8Very low31.2Very low80 Ų80143.3 Ų143.366%0.66178%0.783SS**  cis99.2142.825.800000115.1
417E36.1Very low31.3Very low179 Ų179146 Ų14684%0.83679%0.786SS**  trans66.5148177.3-61.6-178.9175.600118.6
418D31.9Very low31.2Very low146 Ų146146.7 Ų146.778%0.78179%0.791SS**  cis-167.1141.6-43.3-123-4000110.2
419F29.2Very low31.2Very low200 Ų200148.1 Ų148.188%0.87780%0.796SS**  trans-176.7159.4132.6-122.5-93.9000113
420E37.6Very low31.1Very low155 Ų155148 Ų14872%0.72480%0.795SS**  trans-76150.3-154.5-61.3-161.594.500119.3
421N29.9Very low31.4Very low122 Ų122155.2 Ų155.265%0.65281%0.805SS**  trans0.6131.8140.8-53.2-63.5000118.3
422Y29.6Very low31.4Very low208 Ų208153.3 Ų153.382%0.81680%0.802SS**  -174.7154.988.3-111.5-85.5000112.7
423H31.9Very low31.3Very low182 Ų182154 Ų15484%0.84381%0.805SS**  trans70.8153177.2-70.5-84.2000119
424A32.6Very low31.2Very low89 Ų89155.5 Ų155.574%0.73680%0.804SS**SBendtrans73.592.4176.300000119.1
425L31.7Very low31.2Very low175 Ų175157 Ų15792%0.91681%0.812SS**  trans64.285.4143.1-58.8172.7000119.1
426R27.8Very low31.3Very low254 Ų254156.2 Ų156.296%0.95880%0.803SS**  trans-89.7142.8153.1-146.3179.7-162.2-168.86.9110.6
427Q31.7Very low31.1Very low191 Ų191160.6 Ų160.689%0.89381%0.81SS**  trans-81.7149.8-174.7-60.4161.2-20.800113
428A27.5Very low30.7Very low107 Ų107158.1 Ų158.188%0.88481%0.811SS**  trans-148.4132147.100000108.5
429S28.9Very low30.5Very low122 Ų122153.8 Ų153.885%0.85380%0.801SS**  trans-110.9130.9-167.853.80000113.5
430S30.5Very low30.6Very low111 Ų111150.2 Ų150.278%0.77680%0.801SS**  trans-153.5121.9161.960.40000112.7
431R34.6Very low31Very low233 Ų233148.3 Ų148.388%0.87980%0.802SS**  trans20.2137.4135.8-60.6178.1176.7163.4-1.8118.1
432C27.5Very low31Very low106 Ų106147.8 Ų147.872%0.71681%0.808SS**  cis-171.1173.93.3-112.40000110.2
433I29.8Very low30.8Very low163 Ų163143.7 Ų143.784%0.83681%0.808SS**  trans69107.3171.2-58.2153.2000112.5
434H30.2Very low31.1Very low147 Ų147141.1 Ų141.168%0.68181%0.808SS**  cis91.897.539.3-168.494.3000113.2H436H434-H436 AromaticContact CE1-CD2 3.49Å; H434-H436 PolarHBondContact CE1-CD2 3.16Å; H434-H436 VanDerWaalsContact CE1-CD2 3.49Å; H434-H436 AromaticContact CE1-NE2 3.97Å; H434-H436 AromaticContact NE2-CD2 3.88Å
435D30.8Very low30.9Very low165 Ų165140.6 Ų140.688%0.88281%0.811SS**  trans-146.1150.4161.2-127-35.6000108.3
436H34.3Very low30.7Very low145 Ų145137.9 Ų137.967%0.67181%0.807SS**  trans-130.3125.4-164.9-112-75.9000114.8H434H434-H436 AromaticContact CE1-CD2 3.49Å; H434-H436 PolarHBondContact CE1-CD2 3.16Å; H434-H436 VanDerWaalsContact CE1-CD2 3.49Å; H434-H436 AromaticContact CE1-NE2 3.97Å; H434-H436 AromaticContact NE2-CD2 3.88Å
437H29.1Very low30.7Very low173 Ų173129.8 Ų129.880%0.80179%0.794SS**  trans-134.1152.1159.6-72.210.8000106.7
438C27.6Very low30.5Very low126 Ų126128.8 Ų128.885%0.85179%0.789SS**  cis-155172.1-13.1-114.60000106.9
439G27.2Very low30.4Very low56 Ų56131.6 Ų131.658%0.57779%0.787SS**  cis160.8-173.33.900000109.9
440S32.2Very low30.4Very low125 Ų125130.6 Ų130.687%0.87478%0.78SS**  trans65.9163.1172.5-580000117
441P44.9Very low30.4Very low114 Ų114133.3 Ų133.374%0.7478%0.781SS**  cis-125-175.7-3.539.4-23.5000115.3
442S30.3Very low30.1Very low111 Ų111129.4 Ų129.478%0.77678%0.776SS**  trans69.6113.2155.147.50000122
443C25.7Very low30Very low123 Ų123130 Ų13083%0.83178%0.781SS**  trans-60.2170.7148.3-67.30000111.8
444P39.2Very low29.9Very low128 Ų128129.4 Ų129.483%0.83178%0.78SS**  cis-146.217331.543.5-23.7000120.2
445G27.7Very low29.9Very low77 Ų77128.5 Ų128.579%0.79479%0.79SS**  trans95.5148.9167.700000114.1
446S28.2Very low29.7Very low119 Ų119123.7 Ų123.783%0.83278%0.779SS**  cis178.6135.8-20.5-175.20000105.7
447A27.5Very low29.5Very low83 Ų83129.2 Ų129.269%0.68679%0.794SS**  trans52.5119.5157.900000121.8
448H27.7Very low29.3Very low170 Ų170124.9 Ų124.979%0.78780%0.796SS**  trans58.7106.1141.2-75.8-84.3000121.9
449I25.3Very low29.3Very low167 Ų167124.5 Ų124.586%0.85679%0.794SS**  trans-97.3138.7138.8-72.6174.4000108.4
450S29.3Very low29.5Very low101 Ų101133.1 Ų133.171%0.70681%0.81SS**  trans-121.888.6168.5-69.90000111.8
451Q29.2Very low29.3Very low168 Ų168131.8 Ų131.879%0.78580%0.8SS**  trans70.2154.2146.6-67.6-166.5-13.100123.3
452L27.9Very low28.4Very low150 Ų150134.6 Ų134.679%0.78581%0.809SS**  trans79.6105.1149-77.1156.1000121.3
453S25.7Very low28.3Very low118 Ų118137.3 Ų137.383%0.82581%0.814SS**  trans-142.8147.8142.266.40000110.7
454L29.1Very low28.4Very low152 Ų152137.3 Ų137.380%0.79682%0.815SS**  trans-88.1156.1-174.2-79.165.6000112.1
455S28.7Very low28Very low128 Ų128135.7 Ų135.790%0.89581%0.812SS**  161.9156.3100.4600000116.6
456G28.1Very low28.2Very low64 Ų64142.6 Ų142.666%0.6682%0.815SS**  trans172.1121166.900000107.1
457R28.8Very low28Very low261 Ų261143.5 Ų143.599%0.98581%0.81SS**  56.9128.552.2-65.1-171.5172.2-168.80.2112.4
458G25.8Very low28.2Very low81 Ų81144.9 Ų144.984%0.83582%0.815SS**  cis-169.9-168.4400000114.5
459S27.9Very low28.1Very low118 Ų118140.5 Ų140.583%0.82582%0.816SS**  trans-99.7142.9-165.6175.50000115
460R29.9Very low28.3Very low238 Ų238137.5 Ų137.590%0.89882%0.816SS**  trans171.1157.7151.3-98.9165178.9-160.1-1.9108.4
461S28.4Very low28.3Very low96 Ų96137.2 Ų137.267%0.67182%0.82SS**  cis-179.1152.9-23.846.80000107.3
462N26.4Very low28.3Very low173 Ų173133.8 Ų133.893%0.92582%0.82SS**  trans-150.5152.1164.7-110.3-26.6000113.5
463L28Very low28.4Very low169 Ų169130.9 Ų130.989%0.88582%0.817SS**  trans-147.9124.9-176-94.4169.2000109.9
464S28.1Very low28.6Very low122 Ų122132.5 Ų132.585%0.85382%0.816SS**  trans-166.1152.8144.155.10000111.7
465A29.9Very low28.7Very low94 Ų94132.7 Ų132.778%0.77782%0.817SS**  trans-129.2-179.6162.600000106
466R31.3Very low28.8Very low223 Ų223131 Ų13184%0.84281%0.81SS**  cis-161-165.912.4-155.1-179.4176155.9-0.6108.6
467D25.7Very low28.8Very low137 Ų137135.2 Ų135.273%0.73382%0.818SS**  trans82.9150.1155.6-56.9-18.8000118.5
468S30Very low28.8Very low113 Ų113129.4 Ų129.479%0.7981%0.806SS**  cis-173.7136.9-38.554.10000109.6
469G27.5Very low29.5Very low78 Ų78131.3 Ų131.380%0.80480%0.804SS**  trans159.2105.316500000119.3
470A28.5Very low29.6Very low104 Ų104133.7 Ų133.786%0.8680%0.802SS**  trans46.1132.7137.700000124.9
471A29.4Very low30.7Very low95 Ų95127.6 Ų127.679%0.78579%0.793SS**  trans81.8103.9131.800000123.4
472A29.9Very low31.8Very low96 Ų96127.9 Ų127.979%0.79379%0.792SS**  73.4117.3114.500000123.8
473A29.9Very low32.1Very low88 Ų88128.1 Ų128.173%0.72779%0.79SS**  93.1126.7118.400000123.7
474L29.1Very low32.2Very low152 Ų152125 Ų12580%0.79678%0.783SS**  trans89.1118.2140.3-69162.9000123.9
475L30.4Very low32.5Very low157 Ų157125.7 Ų125.782%0.82278%0.781SS**  trans86.9127.7134.2-68.1168.3000124.3
476A31.9Very low32.4Very low91 Ų91132 Ų13275%0.75279%0.785SS**  trans65.7150.1148.100000119.6
477D27.4Very low32.7Very low153 Ų153126.5 Ų126.582%0.81878%0.778SS**  cis-144.7-178.6-1.8-146.5-21.8000112.6
478L29.8Very low32.9Very low140 Ų140126.8 Ų126.873%0.73378%0.779SS**  trans-83.4175.6-175.6-79.4166.3000114
479P40.5Very low32.7Very low121 Ų121128.6 Ų128.679%0.78678%0.779SS**  cis-134.8179.416.241-21.7000118.4
480Q29.5Very low33.4Very low168 Ų168130.2 Ų130.279%0.78578%0.775SS**  trans-99.7-157173.8-49.9-179.5-28.300109.9
481P52.8Low33.3Very low109 Ų109129 Ų12971%0.70877%0.765SS**  cis-129.2-151.8-13.140.7-18.4000110.4
482P50.8Low33.2Very low103 Ų103131.4 Ų131.467%0.66977%0.77SS**  cis-139.4153.1-2.631.9-8.4000120.1
483M32.9Very low33.1Very low178 Ų178130.6 Ų130.688%0.87777%0.771SS**  trans68.1138142.9-59.2-91.1-95.900118.6
484S31.6Very low33Very low104 Ų104134.6 Ų134.673%0.72778%0.78SS**  cis-156.6149.642.650.90000116.6
485V33.3Very low32.9Very low136 Ų136139.5 Ų139.582%0.82479%0.788SS**  trans52.1116145.1-175.20000121.4
486R29Very low33Very low227 Ų227143.2 Ų143.286%0.85779%0.791SS**  trans-92.7164.5159.8-124.9-179.7-172.2175.33.4109.3
487P37.5Very low32.7Very low106 Ų106144.3 Ų144.369%0.68879%0.793SS**  -158.2161.470.840.2-18.5000120.2
488L29Very low32.8Very low143 Ų143143.9 Ų143.975%0.74979%0.789SS**  trans43.4121.7141-57.3167.9000121.3
489L26.6Very low32.7Very low152 Ų152144.2 Ų144.280%0.79679%0.791SS**  56.2146.370.5-73.9175.5000115.8
490P41Very low31.9Very low112 Ų112144.8 Ų144.873%0.72779%0.792SS**  cis-143.7-168.9-7.840.3-19.4000116.5
491A27.8Very low31.7Very low78 Ų78144.4 Ų144.465%0.64579%0.792SS**  trans79.5108.8137.400000123.4
492T26.1Very low30.3Very low146 Ų146148.8 Ų148.890%0.89680%0.8SS**  41.5134126.963.10000122.7
493G27.5Very low29.2Very low78 Ų78152.1 Ų152.180%0.80481%0.806SS**  trans164.890.6151.400000117.3
494N29.2Very low28.9Very low172 Ų172148.8 Ų148.892%0.9280%0.8SS**  trans-55.7138.8174-78.5-38.4000114.3
495R27.2Very low28.7Very low255 Ų255153.1 Ų153.196%0.96280%0.802SS**  trans-156.3153.2135.8-112.2167.3-168.1-148.5-0.1112.6
496R31.5Very low28.3Very low235 Ų235152 Ų15289%0.88780%0.8SS**  trans-120.9133.7-177.6-71.9176.6170.4176.1-4.9110.8
497S26.4Very low28.4Very low114 Ų114148.1 Ų148.180%0.79779%0.792SS**  trans-170.9105.6158.846.40000106.8
498I28.4Very low27.9Very low144 Ų144152 Ų15274%0.73880%0.801SS**  82.511156.8-63.3172.9000112.5
499L27.5Very low27.9Very low148 Ų148149.7 Ų149.778%0.77580%0.802SS**  trans65.5155.4170.1-69.2162.4000115.2
500V23.9Very low28.1Very low132 Ų132147.6 Ų147.680%0.881%0.807SS**  cis-133.4163.330177.50000113
501M26.2Very low27.6Very low160 Ų160148.9 Ų148.979%0.78881%0.807SS**  trans-68156.8176.1-58.5165.9-86.900114.6
502K22.8Very low27.8Very low202 Ų202151.9 Ų151.988%0.87881%0.813SS**  -179164.5102.6-157.1165179.9-176.80112.1
503H27Very low28Very low172 Ų172148 Ų14880%0.79680%0.802SS**  trans-94.8177.5178.9-66.1-112.2000113.4
504S28.3Very low28.1Very low108 Ų108149.9 Ų149.976%0.75580%0.801SS**  trans87.1147.3154.4-54.80000117.5
505Y26.4Very low28.2Very low196 Ų196148.7 Ų148.777%0.76980%0.795SS**  cis-166.3151.1-18.3-134-97.9000109.2Q507Y505-Q507 HydrophobicContact CD1-CB 4.25Å
506S24.6Very low28.8Very low111 Ų111144 Ų14478%0.77679%0.788SS**  trans168.3134.4150.5-116.70000108.2
507Q31.6Very low28.9Very low146 Ų146139 Ų13968%0.68278%0.78SS**  cis75.8103.15-157.6172.524.700117.6Y505Y505-Q507 HydrophobicContact CD1-CB 4.25Å
508E26.9Very low29.4Very low189 Ų189140 Ų14088%0.88378%0.776SS**  trans-179.9130.4139.4-99.3170.4-166.800106.3
509A29.8Very low29.7Very low94 Ų94140.7 Ų140.778%0.77778%0.781SS**  cis105.494.78.300000115.4
510A30Very low30.2Very low107 Ų107140.2 Ų140.288%0.88478%0.779SS**  trans-154.8165.5161.600000109.4
511D30.2Very low30.6Very low139 Ų139143.6 Ų143.674%0.74379%0.786SS**  trans-168.5163.8-133.8-175.129.1000113.3
512N32.1Very low30.8Very low141 Ų141144.9 Ų144.975%0.75479%0.789SS**  trans66.4151.1178.3-51.1-81.7000116.5
513G30.1Very low31.4Very low66 Ų66140.8 Ų140.868%0.6878%0.781SS**  cis163.1159.8-10.900000114.6
514C29.5Very low32.3Very low116 Ų116138.6 Ų138.678%0.78478%0.782SS**  trans80.8106.8160-43.50000122.6
515D31.5Very low32.6Very low147 Ų147139.4 Ų139.479%0.78678%0.783SS**  65.4152.9116.6-53.2-36.6000127.3
516L39.3Very low32.8Very low156 Ų156137 Ų13782%0.81779%0.789SS**  trans73.5146.7165-57173.6000117.7
517D33.7Very low33.2Very low132 Ų132136.8 Ų136.871%0.70679%0.787SS**  cis-141.1147.2-4-85.7-45.1000107.3
518D38.5Very low33.1Very low134 Ų134139.3 Ų139.372%0.71780%0.799SS**  75.212166.8-15517.8000116.4
519D34Very low33.2Very low158 Ų158140.8 Ų140.885%0.84580%0.796SS**  trans-173.3162.3149.2-132.2-33000113.3
520L37.2Very low33.1Very low139 Ų139144.1 Ų144.173%0.72880%0.8SS**  trans-122.7162.6-160.1-68.4143000115.8
521E32.3Very low32.9Very low203 Ų203144.2 Ų144.295%0.94979%0.794SS**  trans-156.3159.8130.8-126.7179.4-170.100112.9
522E31.9Very low33Very low186 Ų186146.8 Ų146.887%0.86979%0.793SS**  trans-105.4165.9-157.4-71.4-164.1108.200117.4
523V35.4Very low32.8Very low117 Ų117148.4 Ų148.471%0.70980%0.796SS**  trans-80.2171.3167.3-1500000110.3T525V523-T525 HydrophobicContact CG1-CG2 4.22Å
524P44.4Very low32.9Very low126 Ų126151.6 Ų151.682%0.81879%0.793SS**  -133.5142.5116.236.3-29.3000114.4
525T35.7Very low32.9Very low124 Ų124155.3 Ų155.376%0.76180%0.796SS**  trans-91.7151177.860.80000112V523V523-T525 HydrophobicContact CG1-CG2 4.22Å
526T30.9Very low32.8Very low147 Ų147153 Ų15390%0.90280%0.797SS**  trans-135142.1145.753.10000109.5
527S31.7Very low32.4Very low105 Ų105152 Ų15273%0.73480%0.798SS**  trans-123.2149.1176.367.80000109.5
528H29.3Very low32.1Very low200 Ų200153.4 Ų153.493%0.92680%0.8SS**  trans-141.7153.4162.9-115.7-91.7000111.9
529R29.1Very low31.6Very low219 Ų219158.3 Ų158.383%0.82681%0.808SS**  trans-103.5154.3-163.6-77.8175.2162-178.5-4.3113.3
530L28.6Very low31.4Very low165 Ų165159.8 Ų159.886%0.86481%0.807SS**  trans68.4159153.7-66.4155.5000115.2
531S25.9Very low30.9Very low108 Ų108158.6 Ų158.676%0.75581%0.81SS**  cis-141.8173.79.279.60000113.6
532R32Very low30.8Very low194 Ų194157.4 Ų157.473%0.73281%0.809SS**  trans-85.7134.3-178.8168.9-172.7178179.92.4111.8E534R532-E534 IonicContact CZ-OE2 3.13Å; R532-E534 IonicContact NE-OE2 3.45Å; R532-E534 PolarHBondContact NE-OE2 3.14Å; R532-E534 IonicContact NH2-OE2 2.68Å; R532-E534 PolarHBondContact NH2-OE2 3.2Å
533H28.5Very low30.9Very low175 Ų175156.7 Ų156.781%0.8181%0.809SS**  trans-144.1113.1156.9-119.553.9000112.8
534E31.4Very low30.5Very low133 Ų133154.9 Ų154.962%0.62181%0.814SS**  trans-82.2140166.7-70.9154.679.400109.6R532R532-E534 IonicContact CZ-OE2 3.13Å; R532-E534 IonicContact NE-OE2 3.45Å; R532-E534 PolarHBondContact NE-OE2 3.14Å; R532-E534 IonicContact NH2-OE2 2.68Å; R532-E534 PolarHBondContact NH2-OE2 3.2Å
535K30.1Very low29.9Very low193 Ų193154.4 Ų154.484%0.83981%0.814SS**  trans-14597.9153.8-104.4179.3-175.3175.20109.9
536A29.5Very low29.6Very low98 Ų98156.7 Ų156.781%0.8182%0.821SS**  trans-75.3140.2165.400000109.9
537V29.5Very low29.6Very low137 Ų137154.4 Ų154.483%0.8381%0.811SS**  trans-132.8113.5161.5178.70000108.1
538Q28.3Very low29.5Very low161 Ų161158 Ų15875%0.75281%0.813SS**  trans-81.9141.9167.6-57.4162.8-6700109.5
539R28.6Very low29.5Very low237 Ų237154.8 Ų154.889%0.89480%0.798SS**  -178.4113.4129.9-96149-170.3-115.4-0.4108.6
540F28.1Very low29.5Very low188 Ų188152.4 Ų152.483%0.82580%0.796SS**  90.6116.472.6-110.7-85.1000112.1
541C26.7Very low29.5Very low115 Ų115150.1 Ų150.178%0.77779%0.794SS**  trans-68.3149166.6-56.50000110.8
542L30.4Very low29.9Very low177 Ų177153.2 Ų153.293%0.92780%0.797SS**  trans-136.5138.1151.6-99.7171.8000109.1
543I34.4Very low29.9Very low172 Ų172154.7 Ų154.788%0.88280%0.804SS**  trans-102.4137.3177.8-64.5164.6000107.3
544G27.8Very low30.2Very low78 Ų78152.3 Ų152.380%0.80480%0.797SS**  trans-174.394177.400000112.6
545S31.1Very low30.3Very low117 Ų117151.3 Ų151.382%0.81880%0.8SS**  trans-94.7137.8172.4175.60000110.4
546L30.2Very low30.6Very low172 Ų172147.7 Ų147.790%0.90180%0.795SS**  trans-163.2144.8142.1-110.4160.1000112.4
547S30.7Very low31.1Very low99 Ų99154.2 Ų154.269%0.69280%0.798SS**  trans-88.7149.3179.9167.80000111.6
548K29Very low31.6Very low179 Ų179157.8 Ų157.878%0.77882%0.82SS**  -173.2136.5114.9-134166.7177.2-178.50117
549H28.8Very low31.7Very low133 Ų133157.7 Ų157.762%0.61682%0.823SS**  trans51123.2146.6-87.2-118000123.5
550E30.6Very low31.9Very low169 Ų169153.5 Ų153.579%0.7982%0.82SS**  54.4144121.8-67.3-173.8137.700124.5
551S29.1Very low32.1Very low118 Ų118151.6 Ų151.683%0.82582%0.819SS**  trans112.4131.6139.1-153.10000116.8
552E33.5Very low32.4Very low172 Ų172153.7 Ų153.780%0.80482%0.822SS**  trans-68.9147.2173.6-52.3157.6108.300110.4
553Y32.5Very low32.6Very low225 Ų225152.3 Ų152.388%0.88282%0.815SS**  -157.7162.9110.7-133.1-105.5000113.7
554N33.2Very low32.4Very low126 Ų126150.9 Ų150.967%0.67481%0.811SS**  trans-84.5147.5-178.8-176.95.7000111
555T34.6Very low32.8Very low112 Ų112156.1 Ų156.169%0.68781%0.811SS**  161.7143123.442.50000116
556T35.9Very low32.9Very low117 Ų117159.2 Ų159.272%0.71881%0.811SS**  trans51.397.3147.454.60000122.1
557R39.5Very low33.1Very low234 Ų234158.1 Ų158.188%0.88380%0.803SS**  42.5107.895.5-171.1-167.7-164.8172.37.2117.9
558V40.1Very low33.3Very low213 Ų213163.5 Ų163.5100%1.29181%0.813SS**  -123.90123.5175.90000106.9

Retrieved 558 of 558 residues in 322.6 ms (Link to these results)