A0A096N4Q6_PAPAN Loading...

Interleukin-7 receptor subunit alpha

Receptor for interleukin-7. Also acts as a receptor for thymic stromal lymphopoietin (TSLP).

AlphaFold DB , UniProt , Accession A0A096N4Q6, Species PAPAN (Papio anubis, Olive baboon), Gene IL7R, Length 459 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
1M34Very low39.1Very low239 Ų239152.1 Ų152.1100%1.17785%0.848SS**  0127.90-70.9167.3171.300106.6
2T36.1Very low39.6Very low140 Ų140154.8 Ų154.886%0.85984%0.844SS**  cis-150.2156.50.7-20.90000108.8
3I41.4Very low39.5Very low159 Ų159149.8 Ų149.882%0.81583%0.828SS**  trans-110.1126.8-175-62.3166.3000109.9
4L39.3Very low39.5Very low171 Ų171151.9 Ų151.990%0.89584%0.836SS**  trans-174.8144146-126.766.1000108.7
5G38.5Very low39.4Very low62 Ų62153.1 Ų153.164%0.63984%0.84SS**  cis14181.3-11.300000113.8
6T41.9Very low39.1Very low147 Ų147154.4 Ų154.490%0.90284%0.838SS**  trans-147.1144.5171.6-3.90000113
7T40.3Very low38.9Very low128 Ų128153.5 Ų153.579%0.78584%0.838SS**  trans-88134-172.3410000112.8
8F44Very low38.7Very low207 Ų207152.2 Ų152.291%0.90884%0.835SS**  76.1125.580.5-122.1-76000114.1
9G35.9Very low38.6Very low71 Ų71150.1 Ų150.173%0.73283%0.833SS**  trans176.350.8-17600000115.6
10M41.5Very low38.3Very low152 Ų152146.7 Ų146.775%0.74983%0.833SS**  trans-103.4116.2172.7-78.9-68.4-7000110.3F12M10-F12 HydrophobicContact CE-CD2 4.4Å; M10-F12 HydrophobicContact CE-CE2 3.9Å
11F37.1Very low38.4Very low197 Ų197148.9 Ų148.986%0.86484%0.837SS**  trans-99.5110.5172.7-108-92.8000110.5
12F45.2Very low38.5Very low184 Ų184143.3 Ų143.381%0.80782%0.821SS**  trans-108.2137.4155-88.3-84.8000107.9M10M10-F12 HydrophobicContact CE-CD2 4.4Å; M10-F12 HydrophobicContact CE-CE2 3.9Å
13S37.8Very low38.3Very low91 Ų91140.5 Ų140.564%0.63682%0.82SS**  trans-14796.2173.3-67.40000109.5
14L40.4Very low37.9Very low178 Ų178143.5 Ų143.593%0.93282%0.823SS**  trans-65.1126.8159.6-72.5157.1000107.5
15L36.9Very low37.7Very low171 Ų171138.5 Ų138.590%0.89581%0.806SS**  trans-110.7137162.8-84.2171000109.2
16Q34.5Very low37.6Very low174 Ų174144.8 Ų144.881%0.81382%0.819SS**  trans-87.9152.5-172.2-66.9177.2-36.400111.2V18Q16-V18 PolarHBondContact O-N 3Å
17V36.9Very low37.6Very low139 Ų139145.5 Ų145.584%0.84282%0.817SS**  trans-63.8125.8165.1176.30000108.9
18V34.5Very low37.5Very low129 Ų129143 Ų14378%0.78282%0.817SS**  trans-133.3109.8164.3-178.10000107.7Q16Q16-V18 PolarHBondContact O-N 3Å
19S38.2Very low37.3Very low113 Ų113140.8 Ų140.879%0.7981%0.814SS**  trans-72.8130170.7-56.50000109.8
20G32.3Very low37.9Very low82 Ų82144.5 Ų144.585%0.84582%0.817SS**  trans-102.8130.5167.100000110.1
21E39.4Very low38.3Very low192 Ų192146 Ų14690%0.89782%0.822SS**  trans-110.5157.6-178.9-172.1179.2175.600111.2
22S36.8Very low38.8Very low123 Ų123144.9 Ų144.986%0.8683%0.825SS**  trans85.6122.6162.4-160.10000118.5
23G31.6Very low39.1Very low81 Ų81140.2 Ų140.284%0.83582%0.82SS**  trans-171.6103.2167.400000108.5
24Y32.8Very low39.9Very low222 Ų222144.5 Ų144.587%0.87183%0.83SS**  trans-108.3123.2-166.6177.4-99.2000113.3
25A35.4Very low40.7Very low66 Ų66144 Ų14455%0.54583%0.828SS.*  trans58.2130.1158.700000119.7
26Q36.8Very low41.8Very low193 Ų193140.6 Ų140.690%0.90281%0.81SS**  -158164.795.3-105.4177.64.400113.2
27N40.7Very low43.8Very low163 Ų163137.8 Ų137.887%0.87280%0.801SS**  trans-69.8136.4-161.7-50.9-41.6000114.8
28G39.6Very low46.1Very low75 Ų75133.5 Ų133.577%0.77377%0.77SS**  91.2105.3121.100000119
29D38.9Very low48.9Very low161 Ų161128.1 Ų128.186%0.86174%0.738SS**  -134.6175.7118.3-146.3-23.6000109.1
30L49.3Very low51.6Low149 Ų149122.8 Ų122.878%0.7870%0.7SS**  trans-94.1168.4179.9-88.787.6000113.4
31E48.7Very low54.6Low182 Ų182121.9 Ų121.985%0.8568%0.681SS**  trans77.926.6162.7-69.6179.4-159.400119.1A33E31-A33 PolarHBondContact O-N 3.27Å
32D48.7Very low57.4Low175 Ų175113.1 Ų113.194%0.93664%0.641SS**  trans-77.158.9150.3-76-31.9000110.9
33A51.1Low60.3Low85 Ų85110.3 Ų110.370%0.70261%0.612SS**  trans-80.7111.7157.200000106.6E31 L35E31-A33 PolarHBondContact O-N 3.27Å; A33-L35 PolarHBondContact O-N 2.9Å; A33-L35 VanDerWaalsContact O-N 3.08Å
34E54.4Low63.5Low182 Ų182106.4 Ų106.485%0.8557%0.572SS**  trans-51.5120.6174.1-65.6-175.7152.900108.4D36E34-D36 PolarHBondContact O-N 3.08Å
35L57.4Low66.5Low167 Ų16797.5 Ų97.587%0.87454%0.539SS*.  trans-70.396.2179.9-175.583.3000107A33 D37A33-L35 PolarHBondContact O-N 2.9Å; A33-L35 VanDerWaalsContact O-N 3.08Å; L35-D37 PolarHBondContact O-N 3.4Å
36D60.7Low69.4Low100 Ų10094.5 Ų94.554%0.53551%0.513SS..  trans-47131.4-173.4-30.3-83.3000109.5E34 Y38E34-D36 PolarHBondContact O-N 3.08Å; D36-Y38 VanDerWaalsContact C-N 3.27Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.56Å; D36-Y38 WeakPolarHBondContact O-CD2 3.11Å; D36-Y38 WeakPolarHBondContact O-CE2 3.49Å; D36-Y38 PolarHBondContact O-N 2.88Å; D36-Y38 VanDerWaalsContact OD2-CE2 3.26Å; D36-Y38 WeakPolarHBondContact OD2-CE2 3.39Å; D36-Y38 VanDerWaalsContact OD2-CZ 3.26Å; D36-Y38 PolarHBondContact OD2-OH 3.04Å
37D74.9Confident72.2Confident114 Ų11486.7 Ų86.761%0.6148%0.477SS*.  trans-76.482.8-173.8-172.732.3000110.8L35 S39L35-D37 PolarHBondContact O-N 3.4Å; D37-S39 PolarHBondContact O-N 2.82Å; D37-S39 PolarHBondContact O-OG 3.01Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 2.04Å; D37-S39 VanDerWaalsContact OD2-CB 3.22Å; D37-S39 WeakPolarHBondContact OD2-CB 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.57Å
38Y86.2Confident74.7Confident49 Ų4981.6 Ų81.619%0.19245%0.451CS..  trans-6831.9171.1-62.4-75.3000112.4D36 F59 V64 L69 L116 T117D36-Y38 VanDerWaalsContact C-N 3.27Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.56Å; D36-Y38 WeakPolarHBondContact O-CD2 3.11Å; D36-Y38 WeakPolarHBondContact O-CE2 3.49Å; D36-Y38 PolarHBondContact O-N 2.88Å; D36-Y38 VanDerWaalsContact OD2-CE2 3.26Å; D36-Y38 WeakPolarHBondContact OD2-CE2 3.39Å; D36-Y38 VanDerWaalsContact OD2-CZ 3.26Å; D36-Y38 PolarHBondContact OD2-OH 3.04Å; Y38-F59 HydrophobicContact CD1-CE1 4.14Å; Y38-V64 HydrophobicContact CD1-CG1 3.98Å; Y38-V64 HydrophobicContact CE1-CG1 3.98Å; Y38-L69 HydrophobicContact CD1-CD1 3.82Å; Y38-L69 HydrophobicContact CE1-CD1 3.73Å; Y38-L69 HydrophobicContact CE1-CD2 4.04Å; Y38-L116 HydrophobicContact CD1-CD1 4.12Å; Y38-L116 HydrophobicContact CD2-CD1 3.82Å; Y38-L116 HydrophobicContact CE1-CD1 4.05Å; Y38-L116 HydrophobicContact CE2-CD1 3.78Å; Y38-L116 HydrophobicContact CG-CD1 4.02Å; Y38-T117 WeakPolarHBondContact O-CG2 3.43Å
39S92.4Very high77.1Confident16 Ų1682.4 Ų82.411%0.11244%0.438CS..  trans-60.9136.9173.556.30000110.1D37 F59 E60D37-S39 PolarHBondContact O-N 2.82Å; D37-S39 PolarHBondContact O-OG 3.01Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 2.04Å; D37-S39 VanDerWaalsContact OD2-CB 3.22Å; D37-S39 WeakPolarHBondContact OD2-CB 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.57Å; S39-F59 CarbonylContact O-C 3.45Å; S39-F59 WeakPolarHBondContact O-CA 3.36Å; S39-F59 WeakPolarHBondContact O-CD1 3.38Å; S39-E60 PolarHBondContact O-N 3.35Å
40F94.9Very high79.5Confident1 Ų177.6 Ų77.60%0.00443%0.427CS..EExtended strand (participates in β ladder)trans-143.3140.6-174.669.7-96000112.6C42 A58 F59 E60 F71 I107 V109 T117 K119F40-C42 VanDerWaalsContact CD2-SG 3.6Å; F40-A58 CarbonylContact C-O 3.56Å; F40-A58 VanDerWaalsContact CA-O 3.23Å; F40-A58 WeakPolarHBondContact CA-O 3.21Å; F40-A58 WeakPolarHBondContact CB-O 3.08Å; F40-F59 HydrophobicContact CB-CD1 4.27Å; F40-E60 WeakPolarHBondContact CA-OE1 3.33Å; F40-E60 PolarHBondContact N-OE1 3.11Å; F40-E60 VanDerWaalsContact O-OE1 3.09Å; F40-F71 HydrophobicContact CB-CE1 4.16Å; F40-F71 HydrophobicContact CB-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CE1 4.19Å; F40-F71 HydrophobicContact CD1-CZ 4.28Å; F40-F71 AromaticContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CZ 4.14Å; F40-F71 HydrophobicContact CE1-CE1 4.48Å; F40-F71 AromaticContact CE2-CE1 3.94Å; F40-F71 HydrophobicContact CE2-CE1 3.94Å; F40-F71 AromaticContact CG-CE1 3.73Å; F40-F71 HydrophobicContact CG-CE1 3.73Å; F40-F71 AromaticContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CZ-CE1 4.36Å; F40-I107 HydrophobicContact CE2-CB 4.25Å; F40-I107 HydrophobicContact CE2-CG2 3.87Å; F40-I107 HydrophobicContact CZ-CB 4.29Å; F40-I107 HydrophobicContact CZ-CG2 4.07Å; F40-V109 HydrophobicContact CD1-CG2 3.67Å; F40-V109 HydrophobicContact CE1-CG2 3.87Å; F40-V109 HydrophobicContact CG-CG2 4.46Å; F40-T117 HydrophobicContact CD1-CG2 4.22Å; F40-T117 HydrophobicContact CE1-CG2 4.09Å; F40-K119 HydrophobicContact CD1-CD 4.43Å; F40-K119 HydrophobicContact CD2-CD 4.32Å; F40-K119 HydrophobicContact CE1-CB 4.41Å; F40-K119 HydrophobicContact CE1-CD 4.11Å; F40-K119 HydrophobicContact CE1-CG 3.86Å; F40-K119 HydrophobicContact CE2-CB 4.11Å; F40-K119 HydrophobicContact CE2-CD 4Å; F40-K119 HydrophobicContact CE2-CG 4.15Å; F40-K119 HydrophobicContact CZ-CB 3.67Å; F40-K119 HydrophobicContact CZ-CD 3.9Å; F40-K119 HydrophobicContact CZ-CG 3.6Å; F40-K119 WeakPolarHBondContact O-CE 3.43Å; F40-K119 PolarHBondContact O-NZ 3.39Å
41S96.3Very high81.5Confident63 Ų6373.6 Ų73.644%0.44141%0.411SS..EExtended strand (participates in β ladder)trans-101.8154.4171.671.30000110.6C57 A58S41-C57 CarbonylContact O-C 3.43Å; S41-C57 VanDerWaalsContact O-CA 3.23Å; S41-C57 WeakPolarHBondContact O-CA 3.39Å; S41-A58 PolarHBondContact N-O 2.89Å; S41-A58 PolarHBondContact O-N 3.04Å
42C97.7Very high83.7Confident8 Ų867.6 Ų67.65%0.05438%0.383CS..EExtended strand (participates in β ladder)trans-142.2148.2175.3-58.70000111.1F40 L55 T56 C57 I107 I126 F216F40-C42 VanDerWaalsContact CD2-SG 3.6Å; C42-L55 HydrophobicContact CB-CD1 4.18Å; C42-T56 CarbonylContact C-O 3.54Å; C42-T56 WeakPolarHBondContact CA-O 3.17Å; C42-T56 WeakPolarHBondContact CB-O 3.22Å; C42-C57 HydrophobicContact CB-CB 4.1Å; C42-C57 WeakPolarHBondContact CB-SG 3.42Å; C42-C57 WeakPolarHBondContact SG-CB 3.09Å; C42-C57 CovalentContact SG-SG 2.04Å; C42-C57 PolarHBondContact SG-SG 2.88Å; C42-I107 HydrophobicContact CB-CD1 4.48Å; C42-I126 HydrophobicContact CB-CD1 4.1Å; C42-F216 WeakPolarHBondContact O-CE2 3.32Å
43Y97.9Very high86Confident64 Ų6459.8 Ų59.825%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-134.2145.516866.1-94.7000111.7Q45 L55 T56 I126 K128Y43-Q45 HydrophobicContact CD2-CG 3.93Å; Y43-Q45 HydrophobicContact CE2-CG 3.94Å; Y43-L55 WeakPolarHBondContact O-CD1 3.26Å; Y43-T56 HydrophobicContact CE1-CG2 4.01Å; Y43-T56 PolarHBondContact N-O 2.87Å; Y43-T56 PolarHBondContact O-N 2.97Å; Y43-I126 CarbonylContact C-O 3.53Å; Y43-I126 VanDerWaalsContact CA-O 3.26Å; Y43-I126 WeakPolarHBondContact CA-O 3.4Å; Y43-K128 HydrophobicContact CD1-CD 4.2Å; Y43-K128 HydrophobicContact CD2-CB 3.66Å; Y43-K128 HydrophobicContact CD2-CD 3.77Å; Y43-K128 HydrophobicContact CD2-CG 4.3Å; Y43-K128 HydrophobicContact CE1-CD 4.4Å; Y43-K128 HydrophobicContact CE2-CB 4.48Å; Y43-K128 HydrophobicContact CE2-CD 4Å; Y43-K128 HydrophobicContact CG-CB 3.99Å; Y43-K128 HydrophobicContact CG-CD 3.88Å
44S97.8Very high88.2Confident0 Ų055.8 Ų55.80%031%0.308CS..EExtended strand (participates in β ladder)trans-101.8150.9174.865.30000110.8S54 L123 I126 V127 K128S44-S54 WeakPolarHBondContact CA-O 2.98Å; S44-L123 PolarHBondContact OG-O 2.67Å; S44-I126 PolarHBondContact N-O 3.3Å; S44-V127 CarbonylContact O-C 3.53Å; S44-V127 WeakPolarHBondContact O-CA 3.17Å; S44-V127 WeakPolarHBondContact OG-CA 3.16Å; S44-V127 WeakPolarHBondContact OG-CG2 3.48Å; S44-K128 PolarHBondContact O-N 2.98Å
45Q97.4Very high90.3Very high35 Ų3547.1 Ų47.116%0.16427%0.267CS..EExtended strand (participates in β ladder)trans-131.4129.1168.1-41.2-173.1-92.400109Y43 V48 H53 S54 K128Y43-Q45 HydrophobicContact CD2-CG 3.93Å; Y43-Q45 HydrophobicContact CE2-CG 3.94Å; Q45-V48 HydrophobicContact CB-CB 4.49Å; Q45-H53 CarbonylContact O-C 3.53Å; Q45-H53 WeakPolarHBondContact O-CA 3.22Å; Q45-S54 WeakPolarHBondContact CB-OG 3.27Å; Q45-S54 PolarHBondContact N-O 2.65Å; Q45-S54 PolarHBondContact O-N 2.93Å; Q45-K128 WeakPolarHBondContact CG-O 3.34Å; Q45-K128 PolarHBondContact NE2-O 2.93Å
46L96Very high92.2Very high2 Ų239.4 Ų39.41%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-100.2136.3-172.4-52.9-171.4000110.6V48 H53 L101 V127 K157 V160 F213L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.14Å; L46-H53 WeakPolarHBondContact CA-ND1 3.33Å; L46-H53 HydrophobicContact CD2-CB 4.1Å; L46-H53 WeakPolarHBondContact CD2-ND1 3.45Å; L46-L101 HydrophobicContact CD1-CD1 4.05Å; L46-L101 HydrophobicContact CD1-CD2 4.42Å; L46-L101 HydrophobicContact CD2-CD1 4.28Å; L46-L101 HydrophobicContact CD2-CD2 3.75Å; L46-V127 HydrophobicContact CD1-CG2 4.31Å; L46-V127 HydrophobicContact CG-CG2 4.45Å; L46-K157 PolarHBondContact O-NZ 3.48Å; L46-V160 HydrophobicContact CB-CG2 3.96Å; L46-V160 HydrophobicContact CD1-CG2 3.69Å; L46-V160 HydrophobicContact CG-CG2 4.05Å; L46-F213 HydrophobicContact CD1-CD1 4.12Å; L46-F213 HydrophobicContact CD1-CE1 3.67Å; L46-F213 HydrophobicContact CD1-CZ 4.26Å
47E95.4Very high93.9Very high29 Ų2934.7 Ų34.714%0.13620%0.202CC..EExtended strand (participates in β ladder)trans58.336.5178-62.3172.6104.300113.1N49 G50 Q52 H53 K157 K158 Y159E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.89Å; E47-G50 WeakPolarHBondContact CA-O 3.36Å; E47-G50 VanDerWaalsContact CB-O 3.26Å; E47-G50 WeakPolarHBondContact CB-O 3.38Å; E47-Q52 CarbonylContact C-O 3.48Å; E47-Q52 WeakPolarHBondContact CA-O 3.19Å; E47-Q52 PolarHBondContact N-O 2.74Å; E47-H53 PolarHBondContact N-ND1 2.04Å; E47-K157 VanDerWaalsContact C-NZ 3.26Å; E47-K157 HydrophobicContact CB-CB 4.47Å; E47-K157 HydrophobicContact CB-CD 4.32Å; E47-K157 HydrophobicContact CB-CG 4.09Å; E47-K157 PolarHBondContact O-NZ 3.14Å; E47-K158 VanDerWaalsContact CD-N 3.27Å; E47-K158 WeakPolarHBondContact OE1-CB 3.27Å; E47-K158 PolarHBondContact OE1-N 2.65Å; E47-K158 WeakPolarHBondContact OE2-CA 3.16Å; E47-K158 PolarHBondContact OE2-N 2.97Å; E47-Y159 HydrophobicContact CG-CD2 3.91Å; E47-Y159 HydrophobicContact CG-CE2 4.31Å; E47-Y159 WeakPolarHBondContact OE2-CD2 3.29Å; E47-Y159 PolarHBondContact OE2-N 3.41Å
48V92.3Very high94.9Very high56 Ų5630.5 Ų30.534%0.33918%0.183SC..EExtended strand (participates in β ladder)trans-67.8-29.9-178.668.80000112.2Q45 L46 Q52 E130Q45-V48 HydrophobicContact CB-CB 4.49Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.14Å; V48-Q52 PolarHBondContact N-O 2.81Å; V48-E130 WeakPolarHBondContact CA-OE1 3.35Å
49N90.7Very high95.3Very high92 Ų9229.1 Ų29.149%0.49218%0.178SC..EExtended strand (participates in β ladder)trans-134.480.2178-175.24.8000109E47 S51 Q52 E95E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.89Å; N49-S51 PolarHBondContact O-N 2.67Å; N49-Q52 HydrophobicContact CB-CB 4.26Å; N49-Q52 PolarHBondContact ND2-NE2 3.2Å; N49-Q52 PolarHBondContact O-N 2.7Å; N49-E95 WeakPolarHBondContact CB-OE1 3.48Å; N49-E95 PolarHBondContact ND2-OE1 3.48Å
50G90Very high95.4Very high61 Ų6133.4 Ų33.463%0.62920%0.196SC*.THydrogen-bonded Turntrans60.2-103.7-172.100000111.6E47E47-G50 WeakPolarHBondContact CA-O 3.36Å; E47-G50 VanDerWaalsContact CB-O 3.26Å; E47-G50 WeakPolarHBondContact CB-O 3.38Å
51S91.3Very high95.1Very high64 Ų6436.9 Ų36.945%0.44822%0.215SC..THydrogen-bonded Turntrans-103.512178.536.90000114.1N49 K97N49-S51 PolarHBondContact O-N 2.67Å; S51-K97 WeakPolarHBondContact O-CG 3.4Å; S51-K97 WeakPolarHBondContact OG-CE 3.33Å; S51-K97 PolarHBondContact OG-NZ 3.47Å
52Q94.5Very high94.7Very high57 Ų5739.1 Ų39.127%0.26623%0.228SC..EExtended strand (participates in β ladder)trans-89.9143.6170.1-50.9-158.879.500111.2E47 V48 N49 E95 K97E47-Q52 CarbonylContact C-O 3.48Å; E47-Q52 WeakPolarHBondContact CA-O 3.19Å; E47-Q52 PolarHBondContact N-O 2.74Å; V48-Q52 PolarHBondContact N-O 2.81Å; N49-Q52 HydrophobicContact CB-CB 4.26Å; N49-Q52 PolarHBondContact ND2-NE2 3.2Å; N49-Q52 PolarHBondContact O-N 2.7Å; Q52-E95 HydrophobicContact CB-CG 3.87Å; Q52-E95 PolarHBondContact NE2-OE1 2.84Å; Q52-K97 HydrophobicContact CB-CG 4.47Å; Q52-K97 HydrophobicContact CG-CD 4.41Å; Q52-K97 HydrophobicContact CG-CG 3.88Å
53H96.7Very high94.1Very high11 Ų1146 Ų465%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-107.9146.1173-51.8-81.2000108.5Q45 L46 E47 E95 T96 F99 Y159Q45-H53 CarbonylContact O-C 3.53Å; Q45-H53 WeakPolarHBondContact O-CA 3.22Å; L46-H53 WeakPolarHBondContact CA-ND1 3.33Å; L46-H53 HydrophobicContact CD2-CB 4.1Å; L46-H53 WeakPolarHBondContact CD2-ND1 3.45Å; E47-H53 PolarHBondContact N-ND1 2.04Å; H53-E95 CarbonylContact O-C 3.56Å; H53-E95 WeakPolarHBondContact O-CA 3.26Å; H53-T96 PolarHBondContact N-O 3.12Å; H53-T96 PolarHBondContact O-N 2.61Å; H53-F99 HydrophobicContact CB-CD2 3.64Å; H53-F99 HydrophobicContact CB-CE2 4.1Å; H53-Y159 AromaticContact CE1-CD2 3.81Å; H53-Y159 AromaticContact CE1-CE2 3.65Å
54S97.4Very high93.5Very high1 Ų144 Ų441%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-108.1157.8169.960.90000112.2S44 Q45 I94S44-S54 WeakPolarHBondContact CA-O 2.98Å; Q45-S54 WeakPolarHBondContact CB-OG 3.27Å; Q45-S54 PolarHBondContact N-O 2.65Å; Q45-S54 PolarHBondContact O-N 2.93Å; S54-I94 CarbonylContact C-O 3.58Å; S54-I94 VanDerWaalsContact CA-O 3.22Å; S54-I94 WeakPolarHBondContact CA-O 3.26Å
55L97.9Very high92.9Very high0 Ų049.4 Ų49.40%029%0.288CS..EExtended strand (participates in β ladder)trans-140.4123.5168.2174.963.2000107.6C42 Y43 I73 F85 I94 F99 I107 L123 I126C42-L55 HydrophobicContact CB-CD1 4.18Å; Y43-L55 WeakPolarHBondContact O-CD1 3.26Å; L55-I73 HydrophobicContact CD2-CD1 3.48Å; L55-I73 VanDerWaalsContact CD2-CD1 3.48Å; L55-F85 HydrophobicContact CB-CE1 4.46Å; L55-F85 HydrophobicContact CD2-CE1 4.1Å; L55-F85 HydrophobicContact CD2-CZ 3.63Å; L55-F85 HydrophobicContact CG-CE1 3.9Å; L55-F85 HydrophobicContact CG-CZ 3.94Å; L55-I94 HydrophobicContact CB-CG2 3.82Å; L55-I94 HydrophobicContact CD2-CG2 4.49Å; L55-I94 HydrophobicContact CG-CG2 4.48Å; L55-I94 PolarHBondContact N-O 2.74Å; L55-I94 PolarHBondContact O-N 3.12Å; L55-F99 HydrophobicContact CB-CE2 3.85Å; L55-F99 HydrophobicContact CB-CZ 3.68Å; L55-F99 HydrophobicContact CD2-CZ 4.08Å; L55-I107 HydrophobicContact CD2-CD1 3.9Å; L55-L123 HydrophobicContact CD1-CD2 4.09Å; L55-L123 HydrophobicContact CD2-CD2 3.83Å; L55-I126 HydrophobicContact CD1-CD1 3.66Å
56T97.8Very high92.3Very high4 Ų448.3 Ų48.33%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-115.3135.5178.9-500000108.5C42 Y43 I91 Y92C42-T56 CarbonylContact C-O 3.54Å; C42-T56 WeakPolarHBondContact CA-O 3.17Å; C42-T56 WeakPolarHBondContact CB-O 3.22Å; Y43-T56 HydrophobicContact CE1-CG2 4.01Å; Y43-T56 PolarHBondContact N-O 2.87Å; Y43-T56 PolarHBondContact O-N 2.97Å; T56-I91 HydrophobicContact CG2-CB 4.24Å; T56-I91 HydrophobicContact CG2-CD1 4.21Å; T56-Y92 CarbonylContact C-O 3.58Å; T56-Y92 WeakPolarHBondContact CA-O 3.37Å
57C97.1Very high91.8Very high1 Ų152.8 Ų52.81%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-128.9150.2172.4-61.40000110.4S41 C42 F71 F85 Y92S41-C57 CarbonylContact O-C 3.43Å; S41-C57 VanDerWaalsContact O-CA 3.23Å; S41-C57 WeakPolarHBondContact O-CA 3.39Å; C42-C57 HydrophobicContact CB-CB 4.1Å; C42-C57 WeakPolarHBondContact CB-SG 3.42Å; C42-C57 WeakPolarHBondContact SG-CB 3.09Å; C42-C57 CovalentContact SG-SG 2.04Å; C42-C57 PolarHBondContact SG-SG 2.88Å; C57-F71 HydrophobicContact CB-CD1 3.92Å; C57-F71 HydrophobicContact CB-CE1 3.63Å; C57-F71 HydrophobicContact CB-CZ 4.2Å; C57-F85 HydrophobicContact CB-CE1 4.35Å; C57-Y92 PolarHBondContact N-O 2.89Å; C57-Y92 PolarHBondContact O-N 2.98Å
58A95.8Very high91.4Very high26 Ų2657.1 Ų57.122%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-147.4153.4174.900000109.4F40 S41 I91F40-A58 CarbonylContact C-O 3.56Å; F40-A58 VanDerWaalsContact CA-O 3.23Å; F40-A58 WeakPolarHBondContact CA-O 3.21Å; F40-A58 WeakPolarHBondContact CB-O 3.08Å; S41-A58 PolarHBondContact N-O 2.89Å; S41-A58 PolarHBondContact O-N 3.04Å; A58-I91 HydrophobicContact CB-CG2 4.28Å
59F94.9Very high91.4Very high20 Ų2055 Ų559%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-65.2151.8170.7-67.4-76.1000110.6Y38 S39 F40 D61 V64 T66 L69 F71 Y92 V109Y38-F59 HydrophobicContact CD1-CE1 4.14Å; S39-F59 CarbonylContact O-C 3.45Å; S39-F59 WeakPolarHBondContact O-CA 3.36Å; S39-F59 WeakPolarHBondContact O-CD1 3.38Å; F40-F59 HydrophobicContact CB-CD1 4.27Å; F59-D61 WeakPolarHBondContact CB-O 3.05Å; F59-V64 HydrophobicContact CD1-CG1 4.38Å; F59-V64 HydrophobicContact CD2-CG1 4.39Å; F59-V64 HydrophobicContact CG-CB 4.45Å; F59-V64 HydrophobicContact CG-CG1 4.29Å; F59-T66 HydrophobicContact CD2-CG2 3.72Å; F59-T66 HydrophobicContact CE2-CG2 3.82Å; F59-L69 HydrophobicContact CE1-CD1 4.15Å; F59-L69 HydrophobicContact CE2-CB 4.45Å; F59-L69 HydrophobicContact CE2-CD1 3.67Å; F59-L69 HydrophobicContact CZ-CB 4.22Å; F59-L69 HydrophobicContact CZ-CD1 3.37Å; F59-L69 HydrophobicContact CZ-CG 4.43Å; F59-F71 HydrophobicContact CE1-CE2 4.22Å; F59-F71 HydrophobicContact CE1-CZ 4.28Å; F59-F71 AromaticContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CZ 4.46Å; F59-F71 AromaticContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CZ 4.08Å; F59-Y92 HydrophobicContact CD2-CE2 4.39Å; F59-Y92 AromaticContact CE2-CE2 3.8Å; F59-Y92 HydrophobicContact CE2-CE2 3.8Å; F59-V109 HydrophobicContact CE1-CG1 4.22Å; F59-V109 HydrophobicContact CE1-CG2 3.96Å; F59-V109 HydrophobicContact CZ-CG1 3.95Å; F59-V109 HydrophobicContact CZ-CG2 4.19Å
60E92.9Very high91.5Very high107 Ų10756.2 Ų56.250%0.533%0.325SS..SBendtrans-81.2-29.4178.5-66.4171.1-121.500110.6S39 F40 K119S39-E60 PolarHBondContact O-N 3.35Å; F40-E60 WeakPolarHBondContact CA-OE1 3.33Å; F40-E60 PolarHBondContact N-OE1 3.11Å; F40-E60 VanDerWaalsContact O-OE1 3.09Å; E60-K119 IonicContact OE1-NZ 3.06Å; E60-K119 PolarHBondContact OE1-NZ 2.85Å
61D89.9Confident91.8Very high73 Ų7353.4 Ų53.439%0.3930%0.295SS..SBendtrans-94.3126.1165.1-179.1-16000110.5F59 D63 V64F59-D61 WeakPolarHBondContact CB-O 3.05Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-V64 HydrophobicContact CB-CG2 3.82Å
62P86.6Confident92.1Very high111 Ų11152.2 Ų52.272%0.72128%0.282SS*.THydrogen-bonded Turntrans-79.2-16.3179.634-37.5000115.3V64P62-V64 VanDerWaalsContact C-N 3.35Å
63D85.6Confident92.2Very high151 Ų15149.5 Ų49.581%0.80727%0.27SS*.THydrogen-bonded Turntrans-89.2-2.6-175.5-70-34.1000112.7D61 N65D61-D63 PolarHBondContact OD1-N 3.42Å; D63-N65 PolarHBondContact O-N 2.8Å
64V85.7Confident92.2Very high23 Ų2350.4 Ų50.414%0.13928%0.277CS..SBendtrans-57.8131.4176.5174.30000111.7Y38 F59 D61 P62 T66 L69Y38-V64 HydrophobicContact CD1-CG1 3.98Å; Y38-V64 HydrophobicContact CE1-CG1 3.98Å; F59-V64 HydrophobicContact CD1-CG1 4.38Å; F59-V64 HydrophobicContact CD2-CG1 4.39Å; F59-V64 HydrophobicContact CG-CB 4.45Å; F59-V64 HydrophobicContact CG-CG1 4.29Å; D61-V64 HydrophobicContact CB-CG2 3.82Å; P62-V64 VanDerWaalsContact C-N 3.35Å; V64-T66 WeakPolarHBondContact O-CG2 3.39Å; V64-T66 PolarHBondContact O-N 2.62Å; V64-L69 HydrophobicContact CG1-CD1 3.82Å
65N85.1Confident92.1Very high113 Ų11351.9 Ų51.960%0.60429%0.292SS*.  trans-72.486.3178.7-177.41.3000112.7D63 T67D63-N65 PolarHBondContact O-N 2.8Å; N65-T67 PolarHBondContact O-N 2.63Å; N65-T67 VanDerWaalsContact O-N 3.12Å; N65-T67 WeakPolarHBondContact OD1-CB 3.45Å; N65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; N65-T67 PolarHBondContact OD1-N 2.81Å; N65-T67 PolarHBondContact OD1-OG1 2.78Å
66T85.5Confident91.9Very high13 Ų1353 Ų538%0.0830%0.302CS..G310 helixtrans-71.42.7-177.663.20000115.3F59 V64 N68 L69 K87 E90 Y92F59-T66 HydrophobicContact CD2-CG2 3.72Å; F59-T66 HydrophobicContact CE2-CG2 3.82Å; V64-T66 WeakPolarHBondContact O-CG2 3.39Å; V64-T66 PolarHBondContact O-N 2.62Å; T66-N68 PolarHBondContact O-N 3.13Å; T66-L69 PolarHBondContact O-N 3.32Å; T66-K87 VanDerWaalsContact C-NZ 3.32Å; T66-K87 VanDerWaalsContact CB-NZ 3.27Å; T66-K87 PolarHBondContact O-NZ 2.61Å; T66-K87 PolarHBondContact OG1-NZ 3.5Å; T66-E90 WeakPolarHBondContact CB-OE2 3.4Å; T66-E90 VanDerWaalsContact CG2-OE2 3.28Å; T66-E90 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E90 PolarHBondContact OG1-OE2 2.93Å; T66-Y92 PolarHBondContact O-OH 2.89Å
67T84.9Confident91.8Very high95 Ų9553.9 Ų53.958%0.58331%0.306SS*.G310 helixtrans-63.1-39.6-169.549.70000114.5N65N65-T67 PolarHBondContact O-N 2.63Å; N65-T67 VanDerWaalsContact O-N 3.12Å; N65-T67 WeakPolarHBondContact OD1-CB 3.45Å; N65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; N65-T67 PolarHBondContact OD1-N 2.81Å; N65-T67 PolarHBondContact OD1-OG1 2.78Å
68N87.5Confident91.6Very high120 Ų12056.3 Ų56.364%0.64232%0.321SS*.G310 helixtrans-110.211.8-178-62.6-61.4000113.3T66T66-N68 PolarHBondContact O-N 3.13Å
69L91.6Very high91.5Very high12 Ų1263.1 Ų63.16%0.06335%0.348CS..  trans-94.3125.4-176.8-48.4-173.8000110.1Y38 F59 V64 T66 Y92 V109 V111 L116Y38-L69 HydrophobicContact CD1-CD1 3.82Å; Y38-L69 HydrophobicContact CE1-CD1 3.73Å; Y38-L69 HydrophobicContact CE1-CD2 4.04Å; F59-L69 HydrophobicContact CE1-CD1 4.15Å; F59-L69 HydrophobicContact CE2-CB 4.45Å; F59-L69 HydrophobicContact CE2-CD1 3.67Å; F59-L69 HydrophobicContact CZ-CB 4.22Å; F59-L69 HydrophobicContact CZ-CD1 3.37Å; F59-L69 HydrophobicContact CZ-CG 4.43Å; V64-L69 HydrophobicContact CG1-CD1 3.82Å; T66-L69 PolarHBondContact O-N 3.32Å; L69-Y92 VanDerWaalsContact O-CE1 3.23Å; L69-Y92 WeakPolarHBondContact O-CE1 3.38Å; L69-Y92 PolarHBondContact O-OH 2.77Å; L69-V109 HydrophobicContact CB-CG1 4.31Å; L69-V111 HydrophobicContact CD2-CG2 3.33Å; L69-L116 HydrophobicContact CD2-CD1 4.23Å
70E93.7Very high91.5Very high118 Ų11864.3 Ų64.355%0.55136%0.357SS*.EExtended strand (participates in β ladder)trans-110.2150173.3-66-176.1167.600110.8V109 K110E70-V109 CarbonylContact O-C 3.49Å; E70-V109 WeakPolarHBondContact O-CA 3.34Å; E70-K110 HydrophobicContact CB-CB 4.38Å; E70-K110 PolarHBondContact N-O 2.92Å; E70-K110 PolarHBondContact O-N 2.91Å
71F95.9Very high91.6Very high2 Ų268.1 Ų68.11%0.00937%0.372CS..EExtended strand (participates in β ladder)trans-108.5138168.8-88.6-108.1000110.7F40 C57 F59 S84 F85 Y92 I107 C108 V109F40-F71 HydrophobicContact CB-CE1 4.16Å; F40-F71 HydrophobicContact CB-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CE1 4.19Å; F40-F71 HydrophobicContact CD1-CZ 4.28Å; F40-F71 AromaticContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CZ 4.14Å; F40-F71 HydrophobicContact CE1-CE1 4.48Å; F40-F71 AromaticContact CE2-CE1 3.94Å; F40-F71 HydrophobicContact CE2-CE1 3.94Å; F40-F71 AromaticContact CG-CE1 3.73Å; F40-F71 HydrophobicContact CG-CE1 3.73Å; F40-F71 AromaticContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CZ-CE1 4.36Å; C57-F71 HydrophobicContact CB-CD1 3.92Å; C57-F71 HydrophobicContact CB-CE1 3.63Å; C57-F71 HydrophobicContact CB-CZ 4.2Å; F59-F71 HydrophobicContact CE1-CE2 4.22Å; F59-F71 HydrophobicContact CE1-CZ 4.28Å; F59-F71 AromaticContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CZ 4.46Å; F59-F71 AromaticContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CZ 4.08Å; F71-S84 WeakPolarHBondContact O-CA 3.43Å; F71-F85 HydrophobicContact CB-CB 3.85Å; F71-F85 HydrophobicContact CB-CD1 4.42Å; F71-F85 HydrophobicContact CB-CD2 3.56Å; F71-F85 HydrophobicContact CB-CE2 4.09Å; F71-F85 HydrophobicContact CB-CG 3.72Å; F71-F85 WeakPolarHBondContact O-CD2 3.47Å; F71-F85 PolarHBondContact O-N 2.04Å; F71-Y92 HydrophobicContact CB-CD1 3.97Å; F71-Y92 HydrophobicContact CB-CG 4.18Å; F71-Y92 AromaticContact CD2-CD1 3.49Å; F71-Y92 HydrophobicContact CD2-CD1 3.49Å; F71-Y92 VanDerWaalsContact CD2-CD1 3.49Å; F71-Y92 AromaticContact CD2-CD2 3.54Å; F71-Y92 HydrophobicContact CD2-CD2 3.54Å; F71-Y92 AromaticContact CD2-CE1 3.81Å; F71-Y92 HydrophobicContact CD2-CE1 3.81Å; F71-Y92 AromaticContact CD2-CE2 3.89Å; F71-Y92 HydrophobicContact CD2-CE2 3.89Å; F71-Y92 AromaticContact CD2-CG 3.33Å; F71-Y92 HydrophobicContact CD2-CG 3.33Å; F71-Y92 AromaticContact CD2-CZ 3.99Å; F71-Y92 HydrophobicContact CE2-CD1 4.34Å; F71-Y92 AromaticContact CE2-CD2 3.55Å; F71-Y92 HydrophobicContact CE2-CD2 3.55Å; F71-Y92 AromaticContact CE2-CE2 3.79Å; F71-Y92 HydrophobicContact CE2-CE2 3.79Å; F71-Y92 AromaticContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CG-CD1 4.09Å; F71-Y92 HydrophobicContact CG-CD2 4.48Å; F71-Y92 AromaticContact CG-CG 3.94Å; F71-Y92 HydrophobicContact CG-CG 3.94Å; F71-I107 HydrophobicContact CD1-CG2 3.85Å; F71-I107 HydrophobicContact CE1-CG2 4.3Å; F71-C108 WeakPolarHBondContact CA-O 3.23Å; F71-V109 HydrophobicContact CD2-CG2 4.47Å; F71-V109 HydrophobicContact CE1-CG2 3.96Å; F71-V109 HydrophobicContact CE2-CG2 3.93Å; F71-V109 HydrophobicContact CZ-CG2 3.64Å
72E96.5Very high91.8Very high39 Ų3967 Ų6718%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-132.8137.2173.8-173.8-175.1-87.500110.5C74 C82 L83 I107 C108 K110E72-C74 PolarHBondContact OE2-SG 2.95Å; E72-C82 HydrophobicContact CG-CB 3.94Å; E72-L83 WeakPolarHBondContact CA-O 3.41Å; E72-I107 CarbonylContact O-C 3.53Å; E72-I107 WeakPolarHBondContact O-CA 3.16Å; E72-C108 PolarHBondContact N-O 2.88Å; E72-C108 PolarHBondContact O-N 2.83Å; E72-K110 HydrophobicContact CB-CD 4.39Å; E72-K110 IonicContact OE1-NZ 2.57Å; E72-K110 PolarHBondContact OE1-NZ 2.84Å; E72-K110 WeakPolarHBondContact OE2-CE 3.07Å; E72-K110 IonicContact OE2-NZ 3.59Å; E72-K110 PolarHBondContact OE2-NZ 2.71Å
73I97.5Very high92.3Very high0 Ų063.5 Ų63.50%034%0.344CS..EExtended strand (participates in β ladder)trans-110.9129.3171.1178.6166.8000110L55 C82 L83 F85 F99 I107 L123L55-I73 HydrophobicContact CD2-CD1 3.48Å; L55-I73 VanDerWaalsContact CD2-CD1 3.48Å; I73-C82 CarbonylContact O-C 3.55Å; I73-C82 WeakPolarHBondContact O-CA 3.4Å; I73-L83 HydrophobicContact CG2-CB 4.08Å; I73-L83 WeakPolarHBondContact CG2-O 3.47Å; I73-L83 PolarHBondContact N-O 2.86Å; I73-L83 PolarHBondContact O-N 2.9Å; I73-F85 HydrophobicContact CB-CE2 3.79Å; I73-F85 HydrophobicContact CB-CZ 4.35Å; I73-F85 HydrophobicContact CG2-CD2 4.42Å; I73-F85 HydrophobicContact CG2-CE2 3.74Å; I73-F85 HydrophobicContact CG2-CZ 4.36Å; I73-F99 HydrophobicContact CD1-CE1 4.2Å; I73-I107 HydrophobicContact CB-CG1 4.26Å; I73-I107 HydrophobicContact CD1-CD1 4.4Å; I73-I107 HydrophobicContact CD1-CG1 4.12Å; I73-I107 HydrophobicContact CG1-CG1 4.09Å; I73-L123 HydrophobicContact CD1-CD1 4.15Å; I73-L123 HydrophobicContact CD1-CD2 4.11Å
74C96.3Very high92.8Very high29 Ų2960 Ų6020%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-126.4145.9177.8-62.50000112.5E72 K81 C82 S105 N106E72-C74 PolarHBondContact OE2-SG 2.95Å; C74-K81 WeakPolarHBondContact CA-O 3.23Å; C74-C82 HydrophobicContact CB-CB 4.06Å; C74-C82 WeakPolarHBondContact CB-SG 3.49Å; C74-C82 WeakPolarHBondContact SG-CB 3.34Å; C74-C82 CovalentContact SG-SG 2.04Å; C74-C82 PolarHBondContact SG-SG 3.46Å; C74-S105 CarbonylContact O-C 3.33Å; C74-S105 WeakPolarHBondContact O-CA 3.23Å; C74-N106 PolarHBondContact N-O 2.89Å; C74-N106 PolarHBondContact O-N 2.94Å
75G94.8Very high93.3Very high33 Ų3359.8 Ų59.834%0.3433%0.328SS..SBendtrans76.3157.1175.900000114.6L77 K81 S105G75-L77 PolarHBondContact O-N 2.7Å; G75-K81 PolarHBondContact N-O 3.1Å; G75-S105 WeakPolarHBondContact O-CB 3.48Å; G75-S105 PolarHBondContact O-OG 2.73Å
76A94.3Very high93.8Very high24 Ų2462.8 Ų62.820%0.19833%0.331CS..SBendtrans51.637.2-165.400000113L100 I102A76-L100 WeakPolarHBondContact O-CB 3.43Å; A76-L100 PolarHBondContact O-N 2.84Å; A76-I102 WeakPolarHBondContact CB-O 3.09Å
77L95.4Very high94.1Very high22 Ų2266 Ų6612%0.11534%0.344CS..BIsolated β-bridgetrans-115.2152.2177.3-58.8-177.7000111.1G75 V80 L83 K98 F99G75-L77 PolarHBondContact O-N 2.7Å; L77-V80 HydrophobicContact CB-CG2 3.98Å; L77-V80 WeakPolarHBondContact CB-O 3.35Å; L77-V80 HydrophobicContact CD1-CG2 3.94Å; L77-L83 HydrophobicContact CD1-CD1 4.16Å; L77-L83 HydrophobicContact CD1-CG 4.08Å; L77-L83 HydrophobicContact CD2-CD1 4.49Å; L77-K98 CarbonylContact C-O 3.58Å; L77-K98 VanDerWaalsContact CA-O 3.22Å; L77-K98 WeakPolarHBondContact CA-O 3.44Å; L77-F99 HydrophobicContact CD2-CD1 3.61Å; L77-F99 HydrophobicContact CD2-CE1 4.1Å
78V93.8Very high94.4Very high52 Ų5265.9 Ų65.932%0.31534%0.34SS..SBendtrans-92.9132.6177.3-177.80000109.5V80 K98 L100V78-V80 PolarHBondContact O-N 2.93Å; V78-K98 HydrophobicContact CB-CB 4.42Å; V78-K98 PolarHBondContact N-O 2.84Å; V78-L100 HydrophobicContact CG2-CB 4.34Å; V78-L100 HydrophobicContact CG2-CD1 4.03Å
79E93Very high94.4Very high168 Ų16868.5 Ų68.579%0.78535%0.348SS*.SBendtrans61.5-25.4-179-62.5153.9-163.600117.3K98E79-K98 IonicContact OE2-NZ 3.19Å; E79-K98 PolarHBondContact OE2-NZ 3Å
80V95.2Very high94.2Very high45 Ų4572.8 Ų72.827%0.27337%0.367SS..  trans-117.8150.2-172.7-59.10000111.6L77 V78 L83 K98L77-V80 HydrophobicContact CB-CG2 3.98Å; L77-V80 WeakPolarHBondContact CB-O 3.35Å; L77-V80 HydrophobicContact CD1-CG2 3.94Å; V78-V80 PolarHBondContact O-N 2.93Å; V80-L83 HydrophobicContact CG2-CD1 4.09Å; V80-L83 HydrophobicContact CG2-CD2 3.99Å; V80-L83 HydrophobicContact CG2-CG 3.82Å; V80-K98 HydrophobicContact CG1-CD 3.98Å; V80-K98 HydrophobicContact CG2-CD 4Å
81K94.1Very high94.3Very high188 Ų18870.6 Ų70.682%0.81736%0.359SS*.SBendtrans-77.7-43.5176.5-67.6-176.3178.4-179.70112.4C74 G75C74-K81 WeakPolarHBondContact CA-O 3.23Å; G75-K81 PolarHBondContact N-O 3.1Å
82C95.6Very high94.3Very high48 Ų4870.7 Ų70.732%0.32436%0.359SS..EExtended strand (participates in β ladder)trans-144.9161.8-176.8-54.90000110.9E72 I73 C74E72-C82 HydrophobicContact CG-CB 3.94Å; I73-C82 CarbonylContact O-C 3.55Å; I73-C82 WeakPolarHBondContact O-CA 3.4Å; C74-C82 HydrophobicContact CB-CB 4.06Å; C74-C82 WeakPolarHBondContact CB-SG 3.49Å; C74-C82 WeakPolarHBondContact SG-CB 3.34Å; C74-C82 CovalentContact SG-SG 2.04Å; C74-C82 PolarHBondContact SG-SG 3.46Å
83L96.4Very high94.3Very high39 Ų3971 Ų7120%0.20436%0.36CS..EExtended strand (participates in β ladder)trans-139.4137171.5-68167.6000109.8E72 I73 L77 V80 I94 T96 K98E72-L83 WeakPolarHBondContact CA-O 3.41Å; I73-L83 HydrophobicContact CG2-CB 4.08Å; I73-L83 WeakPolarHBondContact CG2-O 3.47Å; I73-L83 PolarHBondContact N-O 2.86Å; I73-L83 PolarHBondContact O-N 2.9Å; L77-L83 HydrophobicContact CD1-CD1 4.16Å; L77-L83 HydrophobicContact CD1-CG 4.08Å; L77-L83 HydrophobicContact CD2-CD1 4.49Å; V80-L83 HydrophobicContact CG2-CD1 4.09Å; V80-L83 HydrophobicContact CG2-CD2 3.99Å; V80-L83 HydrophobicContact CG2-CG 3.82Å; L83-I94 HydrophobicContact CB-CD1 3.54Å; L83-I94 HydrophobicContact CD1-CD1 3.87Å; L83-I94 HydrophobicContact CG-CD1 4.26Å; L83-T96 HydrophobicContact CD1-CG2 4.27Å; L83-K98 HydrophobicContact CD1-CB 4.32Å
84S95.5Very high94.2Very high76 Ų7671.6 Ų71.653%0.53136%0.363SS..EExtended strand (participates in β ladder)trans-85145.1171.9-48.10000111F71F71-S84 WeakPolarHBondContact O-CA 3.43Å
85F96.3Very high94.2Very high19 Ų1973.1 Ų73.18%0.08337%0.367CS..PPolyproline II helixtrans-81.7159.6174-70.3-120.1000110.9L55 C57 F71 I73 I94 I107L55-F85 HydrophobicContact CB-CE1 4.46Å; L55-F85 HydrophobicContact CD2-CE1 4.1Å; L55-F85 HydrophobicContact CD2-CZ 3.63Å; L55-F85 HydrophobicContact CG-CE1 3.9Å; L55-F85 HydrophobicContact CG-CZ 3.94Å; C57-F85 HydrophobicContact CB-CE1 4.35Å; F71-F85 HydrophobicContact CB-CB 3.85Å; F71-F85 HydrophobicContact CB-CD1 4.42Å; F71-F85 HydrophobicContact CB-CD2 3.56Å; F71-F85 HydrophobicContact CB-CE2 4.09Å; F71-F85 HydrophobicContact CB-CG 3.72Å; F71-F85 WeakPolarHBondContact O-CD2 3.47Å; F71-F85 PolarHBondContact O-N 2.04Å; I73-F85 HydrophobicContact CB-CE2 3.79Å; I73-F85 HydrophobicContact CB-CZ 4.35Å; I73-F85 HydrophobicContact CG2-CD2 4.42Å; I73-F85 HydrophobicContact CG2-CE2 3.74Å; I73-F85 HydrophobicContact CG2-CZ 4.36Å; F85-I94 HydrophobicContact CD1-CB 4.12Å; F85-I94 HydrophobicContact CD1-CG2 3.74Å; F85-I94 HydrophobicContact CE1-CG2 3.7Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CG-CB 4.3Å; F85-I94 HydrophobicContact CG-CG2 4.19Å; F85-I94 HydrophobicContact CZ-CG2 4.1Å; F85-I107 HydrophobicContact CE2-CG2 4.31Å; F85-I107 HydrophobicContact CZ-CG2 4.28Å
86R95.3Very high94.3Very high177 Ų17772.2 Ų72.267%0.66836%0.356SS*.EExtended strand (participates in β ladder)trans-95.7126.5168.5-57.3179.4-173.91683.9108.5F93R86-F93 PolarHBondContact N-O 3.49Å; R86-F93 PolarHBondContact O-N 2.86Å
87K93.3Very high94.3Very high81 Ų8177 Ų7735%0.35237%0.372SS..EExtended strand (participates in β ladder)trans-75.3131.4170.6-171179.3-179.3-173.80109.8T66 Q89 E90 Y92T66-K87 VanDerWaalsContact C-NZ 3.32Å; T66-K87 VanDerWaalsContact CB-NZ 3.27Å; T66-K87 PolarHBondContact O-NZ 2.61Å; T66-K87 PolarHBondContact OG1-NZ 3.5Å; K87-Q89 WeakPolarHBondContact CE-O 3.45Å; K87-Q89 VanDerWaalsContact CG-O 3.25Å; K87-Q89 WeakPolarHBondContact CG-O 3.49Å; K87-E90 IonicContact NZ-OE2 2.77Å; K87-Y92 HydrophobicContact CB-CD1 4.15Å; K87-Y92 HydrophobicContact CB-CE1 3.91Å; K87-Y92 HydrophobicContact CD-CE1 4.15Å; K87-Y92 HydrophobicContact CG-CD1 4.42Å; K87-Y92 HydrophobicContact CG-CE1 3.97Å
88L89.9Confident94.4Very high92 Ų9278.9 Ų78.948%0.48238%0.379SS..EExtended strand (participates in β ladder)trans-134.599.7176.8-65.8176000107.4E90 I91 F93L88-E90 PolarHBondContact O-N 2.99Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 PolarHBondContact N-O 2.86Å; L88-I91 WeakPolarHBondContact O-CG1 3.34Å; L88-I91 PolarHBondContact O-N 2.93Å; L88-I91 VanDerWaalsContact O-N 3.14Å; L88-F93 HydrophobicContact CD1-CB 3.94Å; L88-F93 HydrophobicContact CD1-CD1 4.21Å; L88-F93 HydrophobicContact CD1-CG 4.28Å
89Q87.5Confident94.5Very high174 Ų17476.8 Ų76.881%0.81337%0.366SS*.THydrogen-bonded Turntrans52.3-130.6-166-58.8168.7-26.300108.8K87K87-Q89 WeakPolarHBondContact CE-O 3.45Å; K87-Q89 VanDerWaalsContact CG-O 3.25Å; K87-Q89 WeakPolarHBondContact CG-O 3.49Å
90E88.6Confident94.5Very high102 Ų10272.9 Ų72.948%0.47735%0.35SS..THydrogen-bonded Turntrans-89.55.3-179-51.3-41124.600114.7T66 K87 L88T66-E90 WeakPolarHBondContact CB-OE2 3.4Å; T66-E90 VanDerWaalsContact CG2-OE2 3.28Å; T66-E90 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E90 PolarHBondContact OG1-OE2 2.93Å; K87-E90 IonicContact NZ-OE2 2.77Å; L88-E90 PolarHBondContact O-N 2.99Å
91I94.1Very high94.5Very high73 Ų7371.7 Ų71.737%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-104.3145.117464.6166.4000112.3T56 A58 L88T56-I91 HydrophobicContact CG2-CB 4.24Å; T56-I91 HydrophobicContact CG2-CD1 4.21Å; A58-I91 HydrophobicContact CB-CG2 4.28Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 PolarHBondContact N-O 2.86Å; L88-I91 WeakPolarHBondContact O-CG1 3.34Å; L88-I91 PolarHBondContact O-N 2.93Å; L88-I91 VanDerWaalsContact O-N 3.14Å
92Y96.3Very high94.4Very high3 Ų368.4 Ų68.41%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-106.7119.8175.7-68.5-97000108.8T56 C57 F59 T66 L69 F71 K87T56-Y92 CarbonylContact C-O 3.58Å; T56-Y92 WeakPolarHBondContact CA-O 3.37Å; C57-Y92 PolarHBondContact N-O 2.89Å; C57-Y92 PolarHBondContact O-N 2.98Å; F59-Y92 HydrophobicContact CD2-CE2 4.39Å; F59-Y92 AromaticContact CE2-CE2 3.8Å; F59-Y92 HydrophobicContact CE2-CE2 3.8Å; T66-Y92 PolarHBondContact O-OH 2.89Å; L69-Y92 VanDerWaalsContact O-CE1 3.23Å; L69-Y92 WeakPolarHBondContact O-CE1 3.38Å; L69-Y92 PolarHBondContact O-OH 2.77Å; F71-Y92 HydrophobicContact CB-CD1 3.97Å; F71-Y92 HydrophobicContact CB-CG 4.18Å; F71-Y92 AromaticContact CD2-CD1 3.49Å; F71-Y92 HydrophobicContact CD2-CD1 3.49Å; F71-Y92 VanDerWaalsContact CD2-CD1 3.49Å; F71-Y92 AromaticContact CD2-CD2 3.54Å; F71-Y92 HydrophobicContact CD2-CD2 3.54Å; F71-Y92 AromaticContact CD2-CE1 3.81Å; F71-Y92 HydrophobicContact CD2-CE1 3.81Å; F71-Y92 AromaticContact CD2-CE2 3.89Å; F71-Y92 HydrophobicContact CD2-CE2 3.89Å; F71-Y92 AromaticContact CD2-CG 3.33Å; F71-Y92 HydrophobicContact CD2-CG 3.33Å; F71-Y92 AromaticContact CD2-CZ 3.99Å; F71-Y92 HydrophobicContact CE2-CD1 4.34Å; F71-Y92 AromaticContact CE2-CD2 3.55Å; F71-Y92 HydrophobicContact CE2-CD2 3.55Å; F71-Y92 AromaticContact CE2-CE2 3.79Å; F71-Y92 HydrophobicContact CE2-CE2 3.79Å; F71-Y92 AromaticContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CG-CD1 4.09Å; F71-Y92 HydrophobicContact CG-CD2 4.48Å; F71-Y92 AromaticContact CG-CG 3.94Å; F71-Y92 HydrophobicContact CG-CG 3.94Å; K87-Y92 HydrophobicContact CB-CD1 4.15Å; K87-Y92 HydrophobicContact CB-CE1 3.91Å; K87-Y92 HydrophobicContact CD-CE1 4.15Å; K87-Y92 HydrophobicContact CG-CD1 4.42Å; K87-Y92 HydrophobicContact CG-CE1 3.97Å
93F96.8Very high94.4Very high45 Ų4567.8 Ų67.820%0.19733%0.333CS..EExtended strand (participates in β ladder)trans-125.7138.9-170.3-180-100.4000112.1R86 L88 E95R86-F93 PolarHBondContact N-O 3.49Å; R86-F93 PolarHBondContact O-N 2.86Å; L88-F93 HydrophobicContact CD1-CB 3.94Å; L88-F93 HydrophobicContact CD1-CD1 4.21Å; L88-F93 HydrophobicContact CD1-CG 4.28Å; F93-E95 HydrophobicContact CE1-CB 3.77Å; F93-E95 HydrophobicContact CZ-CB 3.98Å
94I96.7Very high94.4Very high14 Ų1473 Ų737%0.07235%0.354CS..EExtended strand (participates in β ladder)trans-136.7138.4167.4-175.1171.8000110.3S54 L55 L83 F85 T96 F99S54-I94 CarbonylContact C-O 3.58Å; S54-I94 VanDerWaalsContact CA-O 3.22Å; S54-I94 WeakPolarHBondContact CA-O 3.26Å; L55-I94 HydrophobicContact CB-CG2 3.82Å; L55-I94 HydrophobicContact CD2-CG2 4.49Å; L55-I94 HydrophobicContact CG-CG2 4.48Å; L55-I94 PolarHBondContact N-O 2.74Å; L55-I94 PolarHBondContact O-N 3.12Å; L83-I94 HydrophobicContact CB-CD1 3.54Å; L83-I94 HydrophobicContact CD1-CD1 3.87Å; L83-I94 HydrophobicContact CG-CD1 4.26Å; F85-I94 HydrophobicContact CD1-CB 4.12Å; F85-I94 HydrophobicContact CD1-CG2 3.74Å; F85-I94 HydrophobicContact CE1-CG2 3.7Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CG-CB 4.3Å; F85-I94 HydrophobicContact CG-CG2 4.19Å; F85-I94 HydrophobicContact CZ-CG2 4.1Å; I94-T96 HydrophobicContact CG1-CG2 4.5Å; I94-F99 HydrophobicContact CG2-CZ 3.99Å
95E96.3Very high94.5Very high60 Ų6069.4 Ų69.428%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-121.9126.7173.8-174.3-171.2170.900108.3N49 Q52 H53 F93N49-E95 WeakPolarHBondContact CB-OE1 3.48Å; N49-E95 PolarHBondContact ND2-OE1 3.48Å; Q52-E95 HydrophobicContact CB-CG 3.87Å; Q52-E95 PolarHBondContact NE2-OE1 2.84Å; H53-E95 CarbonylContact O-C 3.56Å; H53-E95 WeakPolarHBondContact O-CA 3.26Å; F93-E95 HydrophobicContact CE1-CB 3.77Å; F93-E95 HydrophobicContact CZ-CB 3.98Å
96T95.7Very high94.5Very high15 Ų1570.6 Ų70.69%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-162.9158.7-174.7-172.60000113.4H53 L83 I94 K98 F99H53-T96 PolarHBondContact N-O 3.12Å; H53-T96 PolarHBondContact O-N 2.61Å; L83-T96 HydrophobicContact CD1-CG2 4.27Å; I94-T96 HydrophobicContact CG1-CG2 4.5Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å; T96-K98 PolarHBondContact OG1-N 3.02Å; T96-F99 HydrophobicContact CG2-CD1 3.74Å; T96-F99 HydrophobicContact CG2-CD2 4.16Å; T96-F99 HydrophobicContact CG2-CE1 3.48Å; T96-F99 VanDerWaalsContact CG2-CE1 3.48Å; T96-F99 HydrophobicContact CG2-CE2 3.92Å; T96-F99 HydrophobicContact CG2-CG 4.07Å; T96-F99 HydrophobicContact CG2-CZ 3.58Å
97K95.6Very high94.6Very high123 Ų12362.1 Ų62.154%0.53531%0.305SS..SBendtrans-92.9-2.1165.9-50.6-161.5-176.6-1740113.2S51 Q52 F99S51-K97 WeakPolarHBondContact O-CG 3.4Å; S51-K97 WeakPolarHBondContact OG-CE 3.33Å; S51-K97 PolarHBondContact OG-NZ 3.47Å; Q52-K97 HydrophobicContact CB-CG 4.47Å; Q52-K97 HydrophobicContact CG-CD 4.41Å; Q52-K97 HydrophobicContact CG-CG 3.88Å; K97-F99 PolarHBondContact O-N 2.89Å
98K95.7Very high94.7Very high62 Ų6258.6 Ų58.627%0.2729%0.29SS..  trans-88.89.1-170-61.3-172.2-176.9-118.60114.8L77 V78 E79 V80 L83 T96L77-K98 CarbonylContact C-O 3.58Å; L77-K98 VanDerWaalsContact CA-O 3.22Å; L77-K98 WeakPolarHBondContact CA-O 3.44Å; V78-K98 HydrophobicContact CB-CB 4.42Å; V78-K98 PolarHBondContact N-O 2.84Å; E79-K98 IonicContact OE2-NZ 3.19Å; E79-K98 PolarHBondContact OE2-NZ 3Å; V80-K98 HydrophobicContact CG1-CD 3.98Å; V80-K98 HydrophobicContact CG2-CD 4Å; L83-K98 HydrophobicContact CD1-CB 4.32Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å; T96-K98 PolarHBondContact OG1-N 3.02Å
99F95.9Very high95Very high9 Ų954.2 Ų54.24%0.03927%0.267CS..BIsolated β-bridgetrans-77.7127.2170.1-61.3-28.4000109.9H53 L55 I73 L77 I94 T96 K97 L101 L123H53-F99 HydrophobicContact CB-CD2 3.64Å; H53-F99 HydrophobicContact CB-CE2 4.1Å; L55-F99 HydrophobicContact CB-CE2 3.85Å; L55-F99 HydrophobicContact CB-CZ 3.68Å; L55-F99 HydrophobicContact CD2-CZ 4.08Å; I73-F99 HydrophobicContact CD1-CE1 4.2Å; L77-F99 HydrophobicContact CD2-CD1 3.61Å; L77-F99 HydrophobicContact CD2-CE1 4.1Å; I94-F99 HydrophobicContact CG2-CZ 3.99Å; T96-F99 HydrophobicContact CG2-CD1 3.74Å; T96-F99 HydrophobicContact CG2-CD2 4.16Å; T96-F99 HydrophobicContact CG2-CE1 3.48Å; T96-F99 VanDerWaalsContact CG2-CE1 3.48Å; T96-F99 HydrophobicContact CG2-CE2 3.92Å; T96-F99 HydrophobicContact CG2-CG 4.07Å; T96-F99 HydrophobicContact CG2-CZ 3.58Å; K97-F99 PolarHBondContact O-N 2.89Å; F99-L101 VanDerWaalsContact C-N 3.28Å; F99-L101 HydrophobicContact CB-CD2 3.93Å; F99-L101 HydrophobicContact CB-CG 4.38Å; F99-L101 PolarHBondContact O-N 2.97Å; F99-L123 HydrophobicContact CB-CD1 3.98Å; F99-L123 HydrophobicContact CD1-CD1 3.75Å; F99-L123 HydrophobicContact CD2-CD1 3.9Å; F99-L123 HydrophobicContact CE1-CD1 4.17Å; F99-L123 HydrophobicContact CE2-CD1 4.33Å; F99-L123 HydrophobicContact CG-CD1 3.61Å; F99-L123 HydrophobicContact CZ-CD1 4.44Å
100L94.2Very high95.2Very high85 Ų8547.4 Ų47.445%0.44524%0.235SC..  trans-73.9-22.7178.3-172.264.2000112.3A76 V78 I102A76-L100 WeakPolarHBondContact O-CB 3.43Å; A76-L100 PolarHBondContact O-N 2.84Å; V78-L100 HydrophobicContact CG2-CB 4.34Å; V78-L100 HydrophobicContact CG2-CD1 4.03Å; L100-I102 HydrophobicContact CD2-CB 4.39Å; L100-I102 HydrophobicContact CG-CB 4.2Å; L100-I102 PolarHBondContact O-N 3.25Å; L100-I102 VanDerWaalsContact O-N 3.13Å
101L94.1Very high95.4Very high20 Ų2044.9 Ų44.911%0.10523%0.227CC..  trans55.621.4-174.7-52.9179.4000114.2L46 F99 L123 T124 Y159L46-L101 HydrophobicContact CD1-CD1 4.05Å; L46-L101 HydrophobicContact CD1-CD2 4.42Å; L46-L101 HydrophobicContact CD2-CD1 4.28Å; L46-L101 HydrophobicContact CD2-CD2 3.75Å; F99-L101 VanDerWaalsContact C-N 3.28Å; F99-L101 HydrophobicContact CB-CD2 3.93Å; F99-L101 HydrophobicContact CB-CG 4.38Å; F99-L101 PolarHBondContact O-N 2.97Å; L101-L123 HydrophobicContact CD2-CB 4.37Å; L101-T124 HydrophobicContact CB-CG2 4.23Å; L101-T124 VanDerWaalsContact O-CG2 3.26Å; L101-T124 WeakPolarHBondContact O-CG2 3.36Å; L101-Y159 HydrophobicContact CD1-CD2 4.38Å; L101-Y159 HydrophobicContact CD1-CE2 4.32Å
102I93.9Very high94.9Very high119 Ų11945.4 Ų45.461%0.6125%0.249SC*.SBendtrans-134.5117177.5-58.9173.2000107.9A76 L100A76-I102 WeakPolarHBondContact CB-O 3.09Å; L100-I102 HydrophobicContact CD2-CB 4.39Å; L100-I102 HydrophobicContact CG-CB 4.2Å; L100-I102 PolarHBondContact O-N 3.25Å; L100-I102 VanDerWaalsContact O-N 3.13Å
103G94.1Very high94.2Very high35 Ų3547.9 Ų47.936%0.36128%0.276SS..SBendtrans83.7-179179.900000114
104K96.7Very high93.8Very high148 Ų14853.7 Ų53.764%0.64330%0.301SS*.EExtended strand (participates in β ladder)trans-93.6130.1-171-60.6-172.4179-171.20112.2I121 D122K104-I121 CarbonylContact C-O 3.54Å; K104-I121 WeakPolarHBondContact CA-O 3.42Å; K104-D122 HydrophobicContact CG-CB 4.07Å
105S97.1Very high93.5Very high1 Ų156 Ų561%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-86.2156.4162.7-58.40000110.3C74 G75 K120 I121C74-S105 CarbonylContact O-C 3.33Å; C74-S105 WeakPolarHBondContact O-CA 3.23Å; G75-S105 WeakPolarHBondContact O-CB 3.48Å; G75-S105 PolarHBondContact O-OG 2.73Å; S105-K120 CarbonylContact O-C 3.57Å; S105-K120 WeakPolarHBondContact O-CA 3.41Å; S105-I121 PolarHBondContact N-O 3.48Å; S105-I121 PolarHBondContact O-N 2.83Å
106N97.1Very high93.2Very high44 Ų4457 Ų5724%0.23533%0.325CS..EExtended strand (participates in β ladder)trans-105.6114.4169.7-166.763.3000107.9C74 C108 K120C74-N106 PolarHBondContact N-O 2.89Å; C74-N106 PolarHBondContact O-N 2.94Å; N106-C108 PolarHBondContact ND2-SG 2.91Å; N106-K120 HydrophobicContact CB-CG 4.34Å; N106-K120 WeakPolarHBondContact OD1-CG 3.36Å
107I97.4Very high93.1Very high0 Ų058.5 Ų58.50%034%0.335CS..EExtended strand (participates in β ladder)trans-99.1128.2175.4-55.8179.9000107.3F40 C42 L55 F71 E72 I73 F85 C118 K119 I121F40-I107 HydrophobicContact CE2-CB 4.25Å; F40-I107 HydrophobicContact CE2-CG2 3.87Å; F40-I107 HydrophobicContact CZ-CB 4.29Å; F40-I107 HydrophobicContact CZ-CG2 4.07Å; C42-I107 HydrophobicContact CB-CD1 4.48Å; L55-I107 HydrophobicContact CD2-CD1 3.9Å; F71-I107 HydrophobicContact CD1-CG2 3.85Å; F71-I107 HydrophobicContact CE1-CG2 4.3Å; E72-I107 CarbonylContact O-C 3.53Å; E72-I107 WeakPolarHBondContact O-CA 3.16Å; I73-I107 HydrophobicContact CB-CG1 4.26Å; I73-I107 HydrophobicContact CD1-CD1 4.4Å; I73-I107 HydrophobicContact CD1-CG1 4.12Å; I73-I107 HydrophobicContact CG1-CG1 4.09Å; F85-I107 HydrophobicContact CE2-CG2 4.31Å; F85-I107 HydrophobicContact CZ-CG2 4.28Å; I107-C118 CarbonylContact O-C 3.55Å; I107-C118 WeakPolarHBondContact O-CA 3.37Å; I107-K119 PolarHBondContact N-O 2.84Å; I107-K119 PolarHBondContact O-N 2.52Å; I107-I121 HydrophobicContact CD1-CD1 4.3Å
108C95.8Very high93.1Very high7 Ų755.2 Ų55.25%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-127.3143.1-179.4-63.50000112.1F71 E72 N106 T117 C118F71-C108 WeakPolarHBondContact CA-O 3.23Å; E72-C108 PolarHBondContact N-O 2.88Å; E72-C108 PolarHBondContact O-N 2.83Å; N106-C108 PolarHBondContact ND2-SG 2.91Å; C108-T117 CarbonylContact C-O 3.59Å; C108-T117 VanDerWaalsContact CA-O 3.27Å; C108-T117 WeakPolarHBondContact CA-O 3.35Å; C108-C118 HydrophobicContact CB-CB 4.11Å; C108-C118 WeakPolarHBondContact CB-SG 3.4Å; C108-C118 WeakPolarHBondContact SG-CB 3.21Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.71Å
109V94.8Very high93.1Very high0 Ų055.6 Ų55.60%033%0.328CS..EExtended strand (participates in β ladder)trans-85.1133.8162.6-176.40000108.1F40 F59 L69 E70 F71 S115 L116 T117F40-V109 HydrophobicContact CD1-CG2 3.67Å; F40-V109 HydrophobicContact CE1-CG2 3.87Å; F40-V109 HydrophobicContact CG-CG2 4.46Å; F59-V109 HydrophobicContact CE1-CG1 4.22Å; F59-V109 HydrophobicContact CE1-CG2 3.96Å; F59-V109 HydrophobicContact CZ-CG1 3.95Å; F59-V109 HydrophobicContact CZ-CG2 4.19Å; L69-V109 HydrophobicContact CB-CG1 4.31Å; E70-V109 CarbonylContact O-C 3.49Å; E70-V109 WeakPolarHBondContact O-CA 3.34Å; F71-V109 HydrophobicContact CD2-CG2 4.47Å; F71-V109 HydrophobicContact CE1-CG2 3.96Å; F71-V109 HydrophobicContact CE2-CG2 3.93Å; F71-V109 HydrophobicContact CZ-CG2 3.64Å; V109-S115 CarbonylContact O-C 2.98Å; V109-S115 WeakPolarHBondContact O-CA 3.35Å; V109-L116 HydrophobicContact CG1-CD1 4.31Å; V109-L116 PolarHBondContact O-N 3.28Å; V109-T117 HydrophobicContact CB-CG2 3.98Å; V109-T117 HydrophobicContact CG2-CG2 3.84Å; V109-T117 PolarHBondContact N-O 3.28Å
110K93.1Very high93.1Very high31 Ų3162.9 Ų62.914%0.13536%0.36CS..EExtended strand (participates in β ladder)trans-127.2148.4-178.5-70.9-171.1178-1770113E70 E72 K114E70-K110 HydrophobicContact CB-CB 4.38Å; E70-K110 PolarHBondContact N-O 2.92Å; E70-K110 PolarHBondContact O-N 2.91Å; E72-K110 HydrophobicContact CB-CD 4.39Å; E72-K110 IonicContact OE1-NZ 2.57Å; E72-K110 PolarHBondContact OE1-NZ 2.84Å; E72-K110 WeakPolarHBondContact OE2-CE 3.07Å; E72-K110 IonicContact OE2-NZ 3.59Å; E72-K110 PolarHBondContact OE2-NZ 2.71Å; K110-K114 CarbonylContact C-O 3.58Å; K110-K114 WeakPolarHBondContact CA-O 3.28Å
111V91.4Very high93.2Very high49 Ų4960.1 Ų60.130%0.29735%0.345SS..EExtended strand (participates in β ladder)trans-136.3122.6168.3-179.20000108.6L69 G113 K114 L116L69-V111 HydrophobicContact CD2-CG2 3.33Å; V111-G113 PolarHBondContact O-N 2.88Å; V111-G113 VanDerWaalsContact O-N 3.11Å; V111-K114 PolarHBondContact N-O 2.72Å; V111-K114 PolarHBondContact O-N 2.97Å; V111-L116 HydrophobicContact CG2-CD1 3.62Å; V111-L116 HydrophobicContact CG2-CG 4.07Å
112G84.3Confident93.4Very high83 Ų8360.6 Ų60.686%0.85635%0.348SS*.THydrogen-bonded Turntrans55.331.1-179.600000114K114G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.84Å
113G82.1Confident93.5Very high55 Ų5555.1 Ų55.157%0.56732%0.32SS*.THydrogen-bonded Turntrans81.3-12.3-17600000116V111V111-G113 PolarHBondContact O-N 2.88Å; V111-G113 VanDerWaalsContact O-N 3.11Å
114K88.4Confident93.6Very high167 Ų16754 Ų5473%0.72631%0.306SS*.EExtended strand (participates in β ladder)trans-77.5135.4169.5-62.8-179-180179.90109.4K110 V111 G112K110-K114 CarbonylContact C-O 3.58Å; K110-K114 WeakPolarHBondContact CA-O 3.28Å; V111-K114 PolarHBondContact N-O 2.72Å; V111-K114 PolarHBondContact O-N 2.97Å; G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.84Å
115S90.7Very high93.6Very high62 Ų6250 Ų5043%0.43429%0.294SS..EExtended strand (participates in β ladder)trans-82.2127.5170-57.90000110.3V109V109-S115 CarbonylContact O-C 2.98Å; V109-S115 WeakPolarHBondContact O-CA 3.35Å
116L89.9Confident93.6Very high81 Ų8150.8 Ų50.842%0.42430%0.298SS..EExtended strand (participates in β ladder)trans-81.1-53.2174-63-178.7000110.7Y38 L69 V109 V111Y38-L116 HydrophobicContact CD1-CD1 4.12Å; Y38-L116 HydrophobicContact CD2-CD1 3.82Å; Y38-L116 HydrophobicContact CE1-CD1 4.05Å; Y38-L116 HydrophobicContact CE2-CD1 3.78Å; Y38-L116 HydrophobicContact CG-CD1 4.02Å; L69-L116 HydrophobicContact CD2-CD1 4.23Å; V109-L116 HydrophobicContact CG1-CD1 4.31Å; V109-L116 PolarHBondContact O-N 3.28Å; V111-L116 HydrophobicContact CG2-CD1 3.62Å; V111-L116 HydrophobicContact CG2-CG 4.07Å
117T92.6Very high93.7Very high48 Ų4848.7 Ų48.729%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-145.1152.6-178.3178.90000110.3Y38 F40 C108 V109Y38-T117 WeakPolarHBondContact O-CG2 3.43Å; F40-T117 HydrophobicContact CD1-CG2 4.22Å; F40-T117 HydrophobicContact CE1-CG2 4.09Å; C108-T117 CarbonylContact C-O 3.59Å; C108-T117 VanDerWaalsContact CA-O 3.27Å; C108-T117 WeakPolarHBondContact CA-O 3.35Å; V109-T117 HydrophobicContact CB-CG2 3.98Å; V109-T117 HydrophobicContact CG2-CG2 3.84Å; V109-T117 PolarHBondContact N-O 3.28Å
118C94.9Very high93.7Very high54 Ų5450.4 Ų50.437%0.36529%0.294SS..EExtended strand (participates in β ladder)trans-142.7132.1179.6-58.30000112I107 C108I107-C118 CarbonylContact O-C 3.55Å; I107-C118 WeakPolarHBondContact O-CA 3.37Å; C108-C118 HydrophobicContact CB-CB 4.11Å; C108-C118 WeakPolarHBondContact CB-SG 3.4Å; C108-C118 WeakPolarHBondContact SG-CB 3.21Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.71Å
119K96Very high93.8Very high70 Ų7050.2 Ų50.230%0.30429%0.293SS..EExtended strand (participates in β ladder)trans-110.7128.7172.9-62.8-175.2-177.8-1730109.8F40 E60 I107 I121F40-K119 HydrophobicContact CD1-CD 4.43Å; F40-K119 HydrophobicContact CD2-CD 4.32Å; F40-K119 HydrophobicContact CE1-CB 4.41Å; F40-K119 HydrophobicContact CE1-CD 4.11Å; F40-K119 HydrophobicContact CE1-CG 3.86Å; F40-K119 HydrophobicContact CE2-CB 4.11Å; F40-K119 HydrophobicContact CE2-CD 4Å; F40-K119 HydrophobicContact CE2-CG 4.15Å; F40-K119 HydrophobicContact CZ-CB 3.67Å; F40-K119 HydrophobicContact CZ-CD 3.9Å; F40-K119 HydrophobicContact CZ-CG 3.6Å; F40-K119 WeakPolarHBondContact O-CE 3.43Å; F40-K119 PolarHBondContact O-NZ 3.39Å; E60-K119 IonicContact OE1-NZ 3.06Å; E60-K119 PolarHBondContact OE1-NZ 2.85Å; I107-K119 PolarHBondContact N-O 2.84Å; I107-K119 PolarHBondContact O-N 2.52Å; K119-I121 HydrophobicContact CB-CD1 3.95Å; K119-I121 HydrophobicContact CB-CG1 4.09Å
120K96.9Very high93.9Very high162 Ų16252.4 Ų52.470%0.70430%0.303SS*.EExtended strand (participates in β ladder)trans-90.1105.7175.7-74.9-178.5-179.1171.20110.7S105 N106S105-K120 CarbonylContact O-C 3.57Å; S105-K120 WeakPolarHBondContact O-CA 3.41Å; N106-K120 HydrophobicContact CB-CG 4.34Å; N106-K120 WeakPolarHBondContact OD1-CG 3.36Å
121I96.6Very high94.1Very high27 Ų2752.6 Ų52.614%0.13831%0.311CS..EExtended strand (participates in β ladder)trans-123.1138.7-167.9-60.3178.7000110.2K104 S105 I107 K119 I126K104-I121 CarbonylContact C-O 3.54Å; K104-I121 WeakPolarHBondContact CA-O 3.42Å; S105-I121 PolarHBondContact N-O 3.48Å; S105-I121 PolarHBondContact O-N 2.83Å; I107-I121 HydrophobicContact CD1-CD1 4.3Å; K119-I121 HydrophobicContact CB-CD1 3.95Å; K119-I121 HydrophobicContact CB-CG1 4.09Å; I121-I126 HydrophobicContact CG2-CB 4.43Å; I121-I126 HydrophobicContact CG2-CD1 3.74Å; I121-I126 HydrophobicContact CG2-CG1 3.86Å; I121-I126 HydrophobicContact CG2-CG2 3.71Å
122D96.7Very high94.4Very high30 Ų3050.3 Ų50.316%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-89.8119.4166.8-168-52.5000108.6K104 T124 T125K104-D122 HydrophobicContact CG-CB 4.07Å; D122-T124 PolarHBondContact O-N 2.86Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 WeakPolarHBondContact OD1-CB 3.35Å; D122-T124 PolarHBondContact OD1-N 3.28Å; D122-T124 PolarHBondContact OD1-OG1 2.97Å; D122-T125 HydrophobicContact CB-CG2 3.98Å; D122-T125 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-OG1 3.48Å
123L96.4Very high95Very high3 Ų350.3 Ų50.32%0.01627%0.273CS..THydrogen-bonded Turntrans-63.9-17.4-174.7-57.8-177.4000113.4S44 L55 I73 F99 L101 T125 I126S44-L123 PolarHBondContact OG-O 2.67Å; L55-L123 HydrophobicContact CD1-CD2 4.09Å; L55-L123 HydrophobicContact CD2-CD2 3.83Å; I73-L123 HydrophobicContact CD1-CD1 4.15Å; I73-L123 HydrophobicContact CD1-CD2 4.11Å; F99-L123 HydrophobicContact CB-CD1 3.98Å; F99-L123 HydrophobicContact CD1-CD1 3.75Å; F99-L123 HydrophobicContact CD2-CD1 3.9Å; F99-L123 HydrophobicContact CE1-CD1 4.17Å; F99-L123 HydrophobicContact CE2-CD1 4.33Å; F99-L123 HydrophobicContact CG-CD1 3.61Å; F99-L123 HydrophobicContact CZ-CD1 4.44Å; L101-L123 HydrophobicContact CD2-CB 4.37Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-I126 HydrophobicContact CD2-CD1 4.22Å
124T96.1Very high95.8Very high11 Ų1152.8 Ų52.87%0.06727%0.274CS..THydrogen-bonded Turntrans-79.9-10.9174.269.30000113.6L101 D122 F213 K214L101-T124 HydrophobicContact CB-CG2 4.23Å; L101-T124 VanDerWaalsContact O-CG2 3.26Å; L101-T124 WeakPolarHBondContact O-CG2 3.36Å; D122-T124 PolarHBondContact O-N 2.86Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 WeakPolarHBondContact OD1-CB 3.35Å; D122-T124 PolarHBondContact OD1-N 3.28Å; D122-T124 PolarHBondContact OD1-OG1 2.97Å; T124-F213 HydrophobicContact CG2-CD1 4.28Å; T124-F213 HydrophobicContact CG2-CE1 3.94Å; T124-K214 PolarHBondContact O-N 2.87Å
125T96.9Very high96.2Very high65 Ų6545.7 Ų45.740%0.39924%0.244SC..SBendtrans-103.9-4-176.364.70000114.8D122 L123 K214 G215D122-T125 HydrophobicContact CB-CG2 3.98Å; D122-T125 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-OG1 3.48Å; L123-T125 VanDerWaalsContact C-N 3.3Å; T125-K214 CarbonylContact C-O 3.6Å; T125-K214 WeakPolarHBondContact CA-O 3.22Å; T125-K214 CarbonylContact O-C 3.59Å; T125-G215 WeakPolarHBondContact O-CA 3.37Å; T125-G215 PolarHBondContact O-N 2.88Å
126I97.6Very high96.5Very high17 Ų1744.6 Ų44.69%0.08724%0.236CC..SBendtrans-121.525.9179.356.9154000112.5C42 Y43 S44 L55 I121 L123 K214 F216C42-I126 HydrophobicContact CB-CD1 4.1Å; Y43-I126 CarbonylContact C-O 3.53Å; Y43-I126 VanDerWaalsContact CA-O 3.26Å; Y43-I126 WeakPolarHBondContact CA-O 3.4Å; S44-I126 PolarHBondContact N-O 3.3Å; L55-I126 HydrophobicContact CD1-CD1 3.66Å; I121-I126 HydrophobicContact CG2-CB 4.43Å; I121-I126 HydrophobicContact CG2-CD1 3.74Å; I121-I126 HydrophobicContact CG2-CG1 3.86Å; I121-I126 HydrophobicContact CG2-CG2 3.71Å; L123-I126 HydrophobicContact CD2-CD1 4.22Å; I126-K214 PolarHBondContact N-O 3.14Å; I126-F216 HydrophobicContact CB-CE2 3.91Å; I126-F216 HydrophobicContact CG2-CE2 4.25Å; I126-F216 HydrophobicContact CG2-CZ 4.45Å
127V97.9Very high96.9Very high1 Ų141.5 Ų41.51%0.00622%0.22CC..BIsolated β-bridgetrans-70.3129.2-176.3177.60000111.1S44 L46 V160 P209 F213 K214 G215 F216S44-V127 CarbonylContact O-C 3.53Å; S44-V127 WeakPolarHBondContact O-CA 3.17Å; S44-V127 WeakPolarHBondContact OG-CA 3.16Å; S44-V127 WeakPolarHBondContact OG-CG2 3.48Å; L46-V127 HydrophobicContact CD1-CG2 4.31Å; L46-V127 HydrophobicContact CG-CG2 4.45Å; V127-V160 HydrophobicContact CG1-CG1 4.27Å; V127-V160 HydrophobicContact CG1-CG2 4Å; V127-P209 HydrophobicContact CB-CG 3.89Å; V127-P209 HydrophobicContact CG1-CG 3.82Å; V127-P209 WeakPolarHBondContact O-CG 3.38Å; V127-F213 HydrophobicContact CG2-CB 4.34Å; V127-F213 HydrophobicContact CG2-CD1 4.01Å; V127-K214 WeakPolarHBondContact CB-O 3.39Å; V127-K214 PolarHBondContact N-O 2.93Å; V127-G215 CarbonylContact O-C 3.57Å; V127-G215 WeakPolarHBondContact O-CA 3.08Å; V127-F216 PolarHBondContact O-N 2.9Å
128K98.1Very high97.1Very high35 Ų3543.8 Ų43.815%0.15223%0.23CC..  trans-113.1111.7171-173.6172.8-175.8177.50109.6Y43 S44 Q45 F216 W217 E219Y43-K128 HydrophobicContact CD1-CD 4.2Å; Y43-K128 HydrophobicContact CD2-CB 3.66Å; Y43-K128 HydrophobicContact CD2-CD 3.77Å; Y43-K128 HydrophobicContact CD2-CG 4.3Å; Y43-K128 HydrophobicContact CE1-CD 4.4Å; Y43-K128 HydrophobicContact CE2-CB 4.48Å; Y43-K128 HydrophobicContact CE2-CD 4Å; Y43-K128 HydrophobicContact CG-CB 3.99Å; Y43-K128 HydrophobicContact CG-CD 3.88Å; S44-K128 PolarHBondContact O-N 2.98Å; Q45-K128 WeakPolarHBondContact CG-O 3.34Å; Q45-K128 PolarHBondContact NE2-O 2.93Å; K128-F216 HydrophobicContact CB-CB 4.45Å; K128-F216 HydrophobicContact CG-CB 4.46Å; K128-W217 WeakPolarHBondContact CE-O 3.48Å; K128-E219 WeakPolarHBondContact CE-OE1 3.36Å; K128-E219 IonicContact NZ-OE1 2.89Å; K128-E219 PolarHBondContact NZ-OE1 2.84Å
129P97.6Very high97.2Very high3 Ų344.6 Ų44.62%0.01923%0.226CC..PPolyproline II helixtrans-61.9159.6178.6-22.433.8000112.7L163 P209 F216 S218P129-L163 HydrophobicContact CB-CD1 4.47Å; P129-L163 HydrophobicContact CB-CD2 4.06Å; P129-L163 HydrophobicContact CG-CD2 3.7Å; P129-P209 HydrophobicContact CG-CG 3.87Å; P129-F216 WeakPolarHBondContact CD-O 3.48Å; P129-S218 WeakPolarHBondContact O-CB 3.15Å
130E97.2Very high97.2Very high47 Ų4746.3 Ų46.322%0.2223%0.23CC..PPolyproline II helixtrans-68.4147164.1-77.1154.5-145.300110.2V48 S153 H154 K157V48-E130 WeakPolarHBondContact CA-OE1 3.35Å; E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.44Å; E130-S153 PolarHBondContact OE2-OG 3.03Å; E130-H154 PolarHBondContact N-NE2 2.99Å; E130-K157 VanDerWaalsContact CD-NZ 3.33Å; E130-K157 WeakPolarHBondContact OE1-CE 3.35Å; E130-K157 IonicContact OE1-NZ 3.95Å; E130-K157 PolarHBondContact OE1-NZ 2.87Å; E130-K157 WeakPolarHBondContact OE2-CE 3.47Å; E130-K157 IonicContact OE2-NZ 2.67Å; E130-K157 PolarHBondContact OE2-NZ 3.05Å
131A97.8Very high96.9Very high35 Ų3546 Ų4629%0.28923%0.231SC..PPolyproline II helixtrans-65.6143.5-179.400000111.3E219A131-E219 HydrophobicContact CB-CB 4.25Å; A131-E219 WeakPolarHBondContact CB-O 3.14Å
132P97.9Very high96.6Very high1 Ų149 Ų491%0.00627%0.269CS..PPolyproline II helixtrans-58.4147.2166.6-23.335000111.9F150 N151 V205 S207 S221P132-F150 HydrophobicContact CB-CD2 4.01Å; P132-N151 WeakPolarHBondContact CA-O 3.36Å; P132-V205 HydrophobicContact CB-CB 4.17Å; P132-V205 HydrophobicContact CB-CG1 4.36Å; P132-V205 HydrophobicContact CG-CB 4.16Å; P132-V205 HydrophobicContact CG-CG1 4.02Å; P132-S207 WeakPolarHBondContact CG-OG 3.15Å; P132-S221 WeakPolarHBondContact O-CA 3.25Å; P132-S221 WeakPolarHBondContact O-CB 3.01Å
133F97.3Very high96.4Very high82 Ų8249.6 Ų49.636%0.3628%0.278SS..EExtended strand (participates in β ladder)trans-136.9-179.1179.361-84.2000110.4L135 N151F133-L135 PolarHBondContact O-N 2.87Å; F133-L135 VanDerWaalsContact O-N 3.15Å; F133-N151 HydrophobicContact CD2-CB 4.06Å; F133-N151 HydrophobicContact CE1-CB 4.47Å; F133-N151 HydrophobicContact CE2-CB 3.82Å; F133-N151 VanDerWaalsContact CE2-ND2 3.3Å; F133-N151 WeakPolarHBondContact CE2-ND2 3.38Å; F133-N151 HydrophobicContact CG-CB 4.46Å; F133-N151 HydrophobicContact CZ-CB 4.03Å; F133-N151 PolarHBondContact N-O 2.78Å; F133-N151 PolarHBondContact O-N 2.83Å
134D97.4Very high96.3Very high107 Ų10754 Ų5457%0.57230%0.302SS*.EExtended strand (participates in β ladder)trans48.639.1-175.7-53.6-26.3000114.2S136 N151D134-S136 PolarHBondContact O-N 2.89Å; D134-N151 HydrophobicContact CB-CB 3.96Å; D134-N151 PolarHBondContact OD2-ND2 3.27Å
135L97.9Very high96.3Very high19 Ų1954 Ų5410%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-64.2126.3176.1179.859.5000110F133 V148 T149 F150 I203 V205 Y224F133-L135 PolarHBondContact O-N 2.87Å; F133-L135 VanDerWaalsContact O-N 3.15Å; L135-V148 HydrophobicContact CD1-CG1 3.78Å; L135-T149 WeakPolarHBondContact CA-O 3.26Å; L135-F150 HydrophobicContact CD1-CB 4.12Å; L135-I203 HydrophobicContact CD2-CG2 4.4Å; L135-I203 VanDerWaalsContact CD2-O 3.3Å; L135-I203 WeakPolarHBondContact CD2-O 3.44Å; L135-V205 HydrophobicContact CD1-CG2 3.8Å; L135-V205 HydrophobicContact CD2-CG2 4.16Å; L135-Y224 WeakPolarHBondContact O-CD2 2.83Å
136S97.6Very high96.3Very high39 Ų3951.1 Ų51.127%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-141.4146.3-177.4-171.70000110.6D134 V148 T149D134-S136 PolarHBondContact O-N 2.89Å; S136-V148 WeakPolarHBondContact O-CA 3.41Å; S136-T149 PolarHBondContact N-O 3.5Å; S136-T149 PolarHBondContact O-N 3.39Å
137V97.8Very high96.3Very high16 Ų1651 Ų5110%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-130.2119.8178.8-1740000108.8F146 V147 V148 I203 Y224 F226V137-F146 HydrophobicContact CG1-CB 3.93Å; V137-F146 HydrophobicContact CG1-CD1 3.94Å; V137-F146 HydrophobicContact CG1-CG 4.37Å; V137-V147 WeakPolarHBondContact CA-O 3.48Å; V137-V148 HydrophobicContact CG1-CG2 4.27Å; V137-V148 HydrophobicContact CG2-CG1 4.45Å; V137-V148 HydrophobicContact CG2-CG2 4.2Å; V137-I203 HydrophobicContact CG2-CG2 3.89Å; V137-Y224 HydrophobicContact CB-CD1 4.14Å; V137-Y224 HydrophobicContact CB-CE1 3.83Å; V137-Y224 HydrophobicContact CG2-CD1 3.63Å; V137-Y224 HydrophobicContact CG2-CE1 3.87Å; V137-Y224 HydrophobicContact CG2-CG 4.47Å; V137-F226 HydrophobicContact CB-CB 4.49Å; V137-F226 HydrophobicContact CB-CD1 4.35Å; V137-F226 HydrophobicContact CB-CG 4.36Å; V137-F226 HydrophobicContact CG1-CD1 4.16Å; V137-F226 HydrophobicContact CG1-CD2 4.08Å; V137-F226 HydrophobicContact CG1-CE1 4.36Å; V137-F226 HydrophobicContact CG1-CE2 4.28Å; V137-F226 HydrophobicContact CG1-CG 4.02Å; V137-F226 HydrophobicContact CG1-CZ 4.41Å; V137-F226 HydrophobicContact CG2-CD1 4.05Å; V137-F226 HydrophobicContact CG2-CE1 4.38Å
138I96.9Very high96.3Very high96 Ų9651 Ų5149%0.49228%0.283SS..EExtended strand (participates in β ladder)trans-119.1116.1-177.5-57.5176.7000109F146 V147I138-F146 WeakPolarHBondContact O-CA 3.49Å; I138-V147 PolarHBondContact N-O 2.83Å; I138-V147 PolarHBondContact O-N 3.01Å
139Y96.3Very high96.3Very high70 Ų7051.5 Ų51.528%0.27529%0.29SS..EExtended strand (participates in β ladder)trans-73.3140.6171.8178.9-121000111E141 D145 F146 Q192 P229Y139-E141 HydrophobicContact CD1-CG 4.04Å; Y139-E141 HydrophobicContact CE1-CB 4.34Å; Y139-E141 HydrophobicContact CE1-CG 3.49Å; Y139-E141 VanDerWaalsContact CE1-CG 3.49Å; Y139-D145 VanDerWaalsContact CD2-O 3.32Å; Y139-D145 WeakPolarHBondContact CD2-O 3.05Å; Y139-F146 HydrophobicContact CD2-CD1 4.06Å; Y139-F146 HydrophobicContact CD2-CD2 4.31Å; Y139-F146 AromaticContact CD2-CE1 3.74Å; Y139-F146 HydrophobicContact CD2-CE1 3.74Å; Y139-F146 AromaticContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CG 4.33Å; Y139-F146 AromaticContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CE2-CE2 4.4Å; Y139-F146 HydrophobicContact CE2-CZ 4.29Å; Y139-F146 HydrophobicContact CG-CD1 4.4Å; Y139-F146 HydrophobicContact CG-CE1 4.03Å; Y139-F146 HydrophobicContact CG-CZ 4.34Å; Y139-Q192 PolarHBondContact OH-OE1 3.31Å; Y139-P229 HydrophobicContact CE1-CG 4.05Å; Y139-P229 HydrophobicContact CE2-CG 4.22Å
140R95.3Very high96.4Very high106 Ų10652 Ų5240%0.429%0.291SS..EExtended strand (participates in β ladder)trans-122.398.8177.7-60.6-166.3-59.7160.5-0.4110G142 A143 N144 D145 V147R140-G142 PolarHBondContact O-N 3.37Å; R140-A143 HydrophobicContact CB-CB 4.14Å; R140-A143 CarbonylContact O-C 3.4Å; R140-A143 PolarHBondContact O-N 2.82Å; R140-N144 PolarHBondContact O-N 2.81Å; R140-D145 IonicContact CZ-OD1 2.75Å; R140-D145 VanDerWaalsContact CZ-OD1 3.25Å; R140-D145 IonicContact CZ-OD2 3.96Å; R140-D145 PolarHBondContact N-O 2.63Å; R140-D145 IonicContact NE-OD1 2.62Å; R140-D145 PolarHBondContact NE-OD1 2.84Å; R140-D145 IonicContact NE-OD2 2.94Å; R140-D145 IonicContact NH2-OD1 3.63Å; R140-D145 PolarHBondContact NH2-OD1 2.83Å; R140-D145 IonicContact NH2-OD2 3.25Å; R140-D145 PolarHBondContact NH2-OD2 3.14Å; R140-V147 HydrophobicContact CG-CG2 4.23Å; R140-V147 VanDerWaalsContact NE-CG2 3.32Å
141E90.5Very high96.3Very high155 Ų15552.5 Ų52.572%0.72430%0.296SS*.G310 helixtrans-49.8-54.1179.3-73.1168.8-168.800112.5Y139 A143 N144Y139-E141 HydrophobicContact CD1-CG 4.04Å; Y139-E141 HydrophobicContact CE1-CB 4.34Å; Y139-E141 HydrophobicContact CE1-CG 3.49Å; Y139-E141 VanDerWaalsContact CE1-CG 3.49Å; E141-A143 PolarHBondContact O-N 2.93Å; E141-N144 PolarHBondContact O-N 2.73Å
142G90.6Very high96.3Very high91 Ų9151 Ų5194%0.93828%0.283SS*.G310 helixtrans-69.48.2179.700000116.3R140R140-G142 PolarHBondContact O-N 3.37Å
143A93.1Very high96.1Very high43 Ų4352.2 Ų52.236%0.35529%0.291SS..G310 helixtrans-134.3-4.7173.300000113.6R140 E141 D145R140-A143 HydrophobicContact CB-CB 4.14Å; R140-A143 CarbonylContact O-C 3.4Å; R140-A143 PolarHBondContact O-N 2.82Å; E141-A143 PolarHBondContact O-N 2.93Å; A143-D145 PolarHBondContact O-N 3Å
144N93.9Very high96Very high94 Ų9448.5 Ų48.550%0.50328%0.275SS..THydrogen-bonded Turntrans47.244.2-174-62.499.7000113.1R140 E141 Q192R140-N144 PolarHBondContact O-N 2.81Å; E141-N144 PolarHBondContact O-N 2.73Å; N144-Q192 HydrophobicContact CB-CB 4.38Å; N144-Q192 PolarHBondContact ND2-OE1 2.82Å; N144-Q192 WeakPolarHBondContact O-CB 3.27Å; N144-Q192 PolarHBondContact O-N 2.96Å
145D96.4Very high95.6Very high13 Ų1348.5 Ų48.57%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-141.7163.9179.472.530.5000113.8Y139 R140 A143 T189 L190 L191Y139-D145 VanDerWaalsContact CD2-O 3.32Å; Y139-D145 WeakPolarHBondContact CD2-O 3.05Å; R140-D145 IonicContact CZ-OD1 2.75Å; R140-D145 VanDerWaalsContact CZ-OD1 3.25Å; R140-D145 IonicContact CZ-OD2 3.96Å; R140-D145 PolarHBondContact N-O 2.63Å; R140-D145 IonicContact NE-OD1 2.62Å; R140-D145 PolarHBondContact NE-OD1 2.84Å; R140-D145 IonicContact NE-OD2 2.94Å; R140-D145 IonicContact NH2-OD1 3.63Å; R140-D145 PolarHBondContact NH2-OD1 2.83Å; R140-D145 IonicContact NH2-OD2 3.25Å; R140-D145 PolarHBondContact NH2-OD2 3.14Å; A143-D145 PolarHBondContact O-N 3Å; D145-T189 HydrophobicContact CB-CG2 3.68Å; D145-T189 VanDerWaalsContact CG-CG2 3.43Å; D145-T189 WeakPolarHBondContact OD2-CG2 3.35Å; D145-L190 WeakPolarHBondContact CA-O 3.46Å; D145-L190 WeakPolarHBondContact CB-O 3.48Å; D145-L191 HydrophobicContact CB-CD2 4.19Å
146F97.4Very high95.3Very high4 Ų456 Ų562%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-110.1119174.5-61.1-95.6000108.7V137 I138 Y139 T189 L190 Q192 L195 F226 T228V137-F146 HydrophobicContact CG1-CB 3.93Å; V137-F146 HydrophobicContact CG1-CD1 3.94Å; V137-F146 HydrophobicContact CG1-CG 4.37Å; I138-F146 WeakPolarHBondContact O-CA 3.49Å; Y139-F146 HydrophobicContact CD2-CD1 4.06Å; Y139-F146 HydrophobicContact CD2-CD2 4.31Å; Y139-F146 AromaticContact CD2-CE1 3.74Å; Y139-F146 HydrophobicContact CD2-CE1 3.74Å; Y139-F146 AromaticContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CG 4.33Å; Y139-F146 AromaticContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CE2-CE2 4.4Å; Y139-F146 HydrophobicContact CE2-CZ 4.29Å; Y139-F146 HydrophobicContact CG-CD1 4.4Å; Y139-F146 HydrophobicContact CG-CE1 4.03Å; Y139-F146 HydrophobicContact CG-CZ 4.34Å; F146-T189 CarbonylContact O-C 3.57Å; F146-T189 WeakPolarHBondContact O-CA 3.37Å; F146-L190 HydrophobicContact CB-CB 4.36Å; F146-L190 PolarHBondContact N-O 2.91Å; F146-L190 PolarHBondContact O-N 2.88Å; F146-Q192 HydrophobicContact CE2-CB 4.17Å; F146-Q192 HydrophobicContact CE2-CG 4.37Å; F146-L195 HydrophobicContact CD2-CD1 3.73Å; F146-L195 HydrophobicContact CE2-CD1 3.76Å; F146-F226 AromaticContact CD1-CD2 3.94Å; F146-F226 HydrophobicContact CD1-CD2 3.94Å; F146-F226 AromaticContact CD1-CE2 3.84Å; F146-F226 HydrophobicContact CD1-CE2 3.84Å; F146-F226 AromaticContact CE1-CD2 3.84Å; F146-F226 HydrophobicContact CE1-CD2 3.84Å; F146-F226 AromaticContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CG-CE2 4.19Å; F146-F226 HydrophobicContact CZ-CE2 4.32Å; F146-T228 HydrophobicContact CE2-CG2 4.12Å; F146-T228 HydrophobicContact CZ-CG2 3.81Å
147V97.9Very high95.1Very high14 Ų1454.9 Ų54.99%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-85.6113.4170.4173.70000108.1V137 I138 R140 T149 K187V137-V147 WeakPolarHBondContact CA-O 3.48Å; I138-V147 PolarHBondContact N-O 2.83Å; I138-V147 PolarHBondContact O-N 3.01Å; R140-V147 HydrophobicContact CG-CG2 4.23Å; R140-V147 VanDerWaalsContact NE-CG2 3.32Å; V147-T149 HydrophobicContact CG1-CG2 4.05Å; V147-K187 HydrophobicContact CG1-CD 4.43Å; V147-K187 HydrophobicContact CG1-CG 4.29Å
148V98.2Very high94.8Very high0 Ų060.7 Ų60.70%032%0.323CS..EExtended strand (participates in β ladder)trans-96.1127.2173.7-177.60000107.9L135 S136 V137 K187 L188 L190 I203L135-V148 HydrophobicContact CD1-CG1 3.78Å; S136-V148 WeakPolarHBondContact O-CA 3.41Å; V137-V148 HydrophobicContact CG1-CG2 4.27Å; V137-V148 HydrophobicContact CG2-CG1 4.45Å; V137-V148 HydrophobicContact CG2-CG2 4.2Å; V148-K187 WeakPolarHBondContact O-CA 3.21Å; V148-L188 HydrophobicContact CB-CB 4.23Å; V148-L188 PolarHBondContact N-O 2.9Å; V148-L188 PolarHBondContact O-N 3.14Å; V148-L190 HydrophobicContact CG2-CD1 3.95Å; V148-L190 HydrophobicContact CG2-CG 4.15Å; V148-I203 HydrophobicContact CB-CD1 4.5Å; V148-I203 HydrophobicContact CG1-CD1 3.84Å; V148-I203 HydrophobicContact CG2-CD1 3.86Å
149T98.2Very high94.5Very high47 Ų4760.6 Ų60.629%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-132.7146.217646.80000110.7L135 S136 V147 T186 K187L135-T149 WeakPolarHBondContact CA-O 3.26Å; S136-T149 PolarHBondContact N-O 3.5Å; S136-T149 PolarHBondContact O-N 3.39Å; V147-T149 HydrophobicContact CG1-CG2 4.05Å; T149-T186 WeakPolarHBondContact CA-O 3.4Å; T149-K187 HydrophobicContact CG2-CB 4.21Å; T149-K187 HydrophobicContact CG2-CD 4.5Å; T149-K187 HydrophobicContact CG2-CG 3.97Å
150F97.9Very high94.3Very high12 Ų1257.3 Ų57.35%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-144.7170.1175.554.3-90.8000109.9P132 L135 H165 V167 S185 T186 V205P132-F150 HydrophobicContact CB-CD2 4.01Å; L135-F150 HydrophobicContact CD1-CB 4.12Å; F150-H165 HydrophobicContact CE2-CB 4.18Å; F150-H165 AromaticContact CE2-CD2 3.7Å; F150-H165 AromaticContact CE2-CE1 3.95Å; F150-H165 AromaticContact CE2-CG 3.63Å; F150-H165 AromaticContact CE2-ND1 3.8Å; F150-H165 AromaticContact CE2-NE2 3.89Å; F150-H165 HydrophobicContact CZ-CB 3.79Å; F150-H165 AromaticContact CZ-CD2 3.71Å; F150-H165 AromaticContact CZ-CG 3.66Å; F150-V167 HydrophobicContact CE1-CG2 3.99Å; F150-S185 WeakPolarHBondContact CZ-O 3.4Å; F150-T186 HydrophobicContact CD2-CG2 4.21Å; F150-T186 HydrophobicContact CE2-CG2 3.98Å; F150-T186 PolarHBondContact N-O 3.28Å; F150-T186 WeakPolarHBondContact O-CB 3.43Å; F150-V205 HydrophobicContact CD1-CG1 4.15Å; F150-V205 HydrophobicContact CD1-CG2 3.93Å; F150-V205 HydrophobicContact CD2-CG1 4.29Å; F150-V205 HydrophobicContact CE1-CG1 3.92Å; F150-V205 HydrophobicContact CE1-CG2 4.32Å; F150-V205 HydrophobicContact CE2-CG1 4.06Å; F150-V205 HydrophobicContact CG-CG1 4.33Å; F150-V205 HydrophobicContact CG-CG2 4.31Å; F150-V205 HydrophobicContact CZ-CG1 3.87Å
151N97.1Very high94.1Very high58 Ų5858 Ų5831%0.3131%0.31SS..EExtended strand (participates in β ladder)trans-119.8156.7-177.7-160.10.1000110.9P132 F133 D134P132-N151 WeakPolarHBondContact CA-O 3.36Å; F133-N151 HydrophobicContact CD2-CB 4.06Å; F133-N151 HydrophobicContact CE1-CB 4.47Å; F133-N151 HydrophobicContact CE2-CB 3.82Å; F133-N151 VanDerWaalsContact CE2-ND2 3.3Å; F133-N151 WeakPolarHBondContact CE2-ND2 3.38Å; F133-N151 HydrophobicContact CG-CB 4.46Å; F133-N151 HydrophobicContact CZ-CB 4.03Å; F133-N151 PolarHBondContact N-O 2.78Å; F133-N151 PolarHBondContact O-N 2.83Å; D134-N151 HydrophobicContact CB-CB 3.96Å; D134-N151 PolarHBondContact OD2-ND2 3.27Å
152T96.2Very high94.2Very high3 Ų353.8 Ų53.82%0.01830%0.296CS..  trans-151.9136.6174.2-175.20000111.2H154 L155 T186T152-H154 HydrophobicContact CG2-CB 4.33Å; T152-H154 PolarHBondContact O-N 3.48Å; T152-H154 PolarHBondContact OG1-N 2.77Å; T152-L155 HydrophobicContact CG2-CD1 4.35Å; T152-L155 HydrophobicContact CG2-CG 3.95Å; T152-T186 HydrophobicContact CG2-CG2 4.17Å
153S95.2Very high94.5Very high27 Ų2749.8 Ų49.819%0.18925%0.252CS..G310 helixtrans-61.4-24.817758.30000112.5E130 L155 Q156 K157E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.44Å; E130-S153 PolarHBondContact OE2-OG 3.03Å; S153-L155 PolarHBondContact O-N 2.98Å; S153-Q156 PolarHBondContact O-N 3.47Å; S153-K157 PolarHBondContact O-N 2.96Å; S153-K157 WeakPolarHBondContact OG-CE 3.5Å
154H94.3Very high94.7Very high4 Ų450.7 Ų50.72%0.01925%0.25CS..G310 helixtrans-63.3-22.8-174.9-78.3-99.8000114.5E130 T152 Q156 K157 V160 L163E130-H154 PolarHBondContact N-NE2 2.99Å; T152-H154 HydrophobicContact CG2-CB 4.33Å; T152-H154 PolarHBondContact O-N 3.48Å; T152-H154 PolarHBondContact OG1-N 2.77Å; H154-Q156 PolarHBondContact O-N 3.04Å; H154-K157 PolarHBondContact O-N 2.82Å; H154-V160 WeakPolarHBondContact CB-O 3.41Å; H154-V160 PolarHBondContact ND1-O 3.32Å; H154-L163 HydrophobicContact CB-CD1 3.55Å; H154-L163 HydrophobicContact CB-CG 4.27Å
155L90Very high94.9Very high107 Ų10746.6 Ų46.656%0.5623%0.228SC*.G310 helixtrans-63.5-25171.4-65.7175.5000113T152 S153 T186T152-L155 HydrophobicContact CG2-CD1 4.35Å; T152-L155 HydrophobicContact CG2-CG 3.95Å; S153-L155 PolarHBondContact O-N 2.98Å; L155-T186 HydrophobicContact CD1-CG2 4.15Å
156Q90.3Very high95Very high178 Ų17846.1 Ų46.183%0.83223%0.225SC*.THydrogen-bonded Turntrans-100.5-21.2-177.3-56.5-177.41400113.3S153 H154S153-Q156 PolarHBondContact O-N 3.47Å; H154-Q156 PolarHBondContact O-N 3.04Å
157K93.5Very high95Very high14 Ų1445.9 Ų45.96%0.06122%0.224CC..  trans-63.5155.6177.8-68.6178.3-171.6-850111.5L46 E47 E130 S153 H154 K161L46-K157 PolarHBondContact O-NZ 3.48Å; E47-K157 VanDerWaalsContact C-NZ 3.26Å; E47-K157 HydrophobicContact CB-CB 4.47Å; E47-K157 HydrophobicContact CB-CD 4.32Å; E47-K157 HydrophobicContact CB-CG 4.09Å; E47-K157 PolarHBondContact O-NZ 3.14Å; E130-K157 VanDerWaalsContact CD-NZ 3.33Å; E130-K157 WeakPolarHBondContact OE1-CE 3.35Å; E130-K157 IonicContact OE1-NZ 3.95Å; E130-K157 PolarHBondContact OE1-NZ 2.87Å; E130-K157 WeakPolarHBondContact OE2-CE 3.47Å; E130-K157 IonicContact OE2-NZ 2.67Å; E130-K157 PolarHBondContact OE2-NZ 3.05Å; S153-K157 PolarHBondContact O-N 2.96Å; S153-K157 WeakPolarHBondContact OG-CE 3.5Å; H154-K157 PolarHBondContact O-N 2.82Å; K157-K161 WeakPolarHBondContact O-CE 3.38Å; K157-K161 VanDerWaalsContact O-CG 3.27Å; K157-K161 WeakPolarHBondContact O-CG 3.4Å
158K91.8Very high95Very high139 Ų13945.2 Ų45.260%0.60422%0.22SC*.SBendtrans-79.2-43.3177.5-170.8-173.6174.6-167.30112.4E47E47-K158 VanDerWaalsContact CD-N 3.27Å; E47-K158 WeakPolarHBondContact OE1-CB 3.27Å; E47-K158 PolarHBondContact OE1-N 2.65Å; E47-K158 WeakPolarHBondContact OE2-CA 3.16Å; E47-K158 PolarHBondContact OE2-N 2.97Å
159Y90Very high94.9Very high93 Ų9346.3 Ų46.337%0.36523%0.225SC..SBendtrans-91.5-69.5-168.7-61.5-68.5000113.1E47 H53 L101 K161 F213E47-Y159 HydrophobicContact CG-CD2 3.91Å; E47-Y159 HydrophobicContact CG-CE2 4.31Å; E47-Y159 WeakPolarHBondContact OE2-CD2 3.29Å; E47-Y159 PolarHBondContact OE2-N 3.41Å; H53-Y159 AromaticContact CE1-CD2 3.81Å; H53-Y159 AromaticContact CE1-CE2 3.65Å; L101-Y159 HydrophobicContact CD1-CD2 4.38Å; L101-Y159 HydrophobicContact CD1-CE2 4.32Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 2.75Å; Y159-F213 WeakPolarHBondContact O-CE2 3.49Å
160V92.1Very high94.7Very high1 Ų146.3 Ų46.31%0.00622%0.219CC..  trans-86.770.7-171-168.20000109.8L46 V127 H154 L163 P209 F213L46-V160 HydrophobicContact CB-CG2 3.96Å; L46-V160 HydrophobicContact CD1-CG2 3.69Å; L46-V160 HydrophobicContact CG-CG2 4.05Å; V127-V160 HydrophobicContact CG1-CG1 4.27Å; V127-V160 HydrophobicContact CG1-CG2 4Å; H154-V160 WeakPolarHBondContact CB-O 3.41Å; H154-V160 PolarHBondContact ND1-O 3.32Å; V160-L163 HydrophobicContact CG1-CD2 3.92Å; V160-P209 HydrophobicContact CG1-CB 4.42Å; V160-F213 HydrophobicContact CB-CD2 4.49Å; V160-F213 HydrophobicContact CG2-CD1 4.34Å; V160-F213 HydrophobicContact CG2-CD2 4.05Å; V160-F213 HydrophobicContact CG2-CE2 4.27Å; V160-F213 HydrophobicContact CG2-CG 4.09Å
161K91.6Very high94.6Very high120 Ų12047.6 Ų47.652%0.52223%0.226SC..  trans-86.5-37-177.9-71.4-174.9172.4-172.70114.5K157 Y159K157-K161 WeakPolarHBondContact O-CE 3.38Å; K157-K161 VanDerWaalsContact O-CG 3.27Å; K157-K161 WeakPolarHBondContact O-CG 3.4Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 2.75Å
162V92.6Very high94.2Very high68 Ų6849.1 Ų49.141%0.41223%0.231SC..  trans-94.7125-176.8-165.60000108.7D210V162-D210 HydrophobicContact CG1-CB 4.15Å; V162-D210 PolarHBondContact O-N 3.25Å
163L96.2Very high93.7Very high6 Ų657.1 Ų57.13%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-132.5149.8-180-63.1177.1000108.7P129 H154 V160 I208P129-L163 HydrophobicContact CB-CD1 4.47Å; P129-L163 HydrophobicContact CB-CD2 4.06Å; P129-L163 HydrophobicContact CG-CD2 3.7Å; H154-L163 HydrophobicContact CB-CD1 3.55Å; H154-L163 HydrophobicContact CB-CG 4.27Å; V160-L163 HydrophobicContact CG1-CD2 3.92Å; L163-I208 WeakPolarHBondContact CA-O 3.28Å
164M97.4Very high93.1Very high63 Ų6359.9 Ų59.931%0.3128%0.278SS..EExtended strand (participates in β ladder)trans-98126.6157.8-179174.86300108N182 S207 I208 W217M164-N182 HydrophobicContact CG-CB 4.32Å; M164-N182 HydrophobicContact SD-CB 4.02Å; M164-S207 CarbonylContact O-C 3.56Å; M164-S207 WeakPolarHBondContact O-CA 3.49Å; M164-I208 HydrophobicContact CB-CG2 3.97Å; M164-I208 HydrophobicContact CE-CG2 3.78Å; M164-I208 PolarHBondContact N-O 3.4Å; M164-I208 PolarHBondContact O-N 2.83Å; M164-W217 HydrophobicContact CE-CH2 4.12Å; M164-W217 HydrophobicContact CE-CZ2 4.45Å
165H97.9Very high92.2Very high7 Ų766.9 Ų66.93%0.03231%0.311CS..EExtended strand (participates in β ladder)trans-95.3141.4174.7-53-64.7000110F150 N182 L183 V205 R206 S207F150-H165 HydrophobicContact CE2-CB 4.18Å; F150-H165 AromaticContact CE2-CD2 3.7Å; F150-H165 AromaticContact CE2-CE1 3.95Å; F150-H165 AromaticContact CE2-CG 3.63Å; F150-H165 AromaticContact CE2-ND1 3.8Å; F150-H165 AromaticContact CE2-NE2 3.89Å; F150-H165 HydrophobicContact CZ-CB 3.79Å; F150-H165 AromaticContact CZ-CD2 3.71Å; F150-H165 AromaticContact CZ-CG 3.66Å; H165-N182 CarbonylContact O-C 3.6Å; H165-N182 VanDerWaalsContact O-CA 3.27Å; H165-N182 WeakPolarHBondContact O-CA 3.45Å; H165-L183 HydrophobicContact CB-CD2 4Å; H165-L183 WeakPolarHBondContact CB-O 3.44Å; H165-L183 PolarHBondContact N-O 3.05Å; H165-L183 PolarHBondContact O-N 3.49Å; H165-V205 HydrophobicContact CB-CG1 4.22Å; H165-R206 CarbonylContact C-O 3.58Å; H165-R206 VanDerWaalsContact CA-O 3.29Å; H165-R206 WeakPolarHBondContact CA-O 3.48Å; H165-S207 PolarHBondContact CE1-OG 3.22Å; H165-S207 PolarHBondContact ND1-OG 3.45Å
166D98.3Very high91.6Very high3 Ų369.2 Ų69.22%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-112.7110.6170.9167.322.8000107.8H180 V205 R206 W217D166-H180 IonicContact OD1-CE1 2.85Å; D166-H180 IonicContact OD1-CG 2.7Å; D166-H180 IonicContact OD1-ND1 2.74Å; D166-H180 PolarHBondContact OD1-ND1 3.29Å; D166-H180 IonicContact OD2-CE1 3.83Å; D166-H180 IonicContact OD2-ND1 3.17Å; D166-H180 PolarHBondContact OD2-ND1 3.23Å; D166-V205 WeakPolarHBondContact O-CA 3.19Å; D166-R206 HydrophobicContact CB-CG 3.97Å; D166-R206 PolarHBondContact N-O 3.31Å; D166-R206 PolarHBondContact O-N 3.02Å; D166-R206 IonicContact OD2-CZ 3.21Å; D166-R206 IonicContact OD2-NE 2.72Å; D166-R206 PolarHBondContact OD2-NE 3.2Å; D166-R206 IonicContact OD2-NH2 3.01Å; D166-R206 PolarHBondContact OD2-NH2 2.96Å; D166-W217 HydrophobicContact CB-CE3 4.34Å; D166-W217 HydrophobicContact CB-CH2 3.5Å; D166-W217 VanDerWaalsContact CB-CH2 3.5Å; D166-W217 HydrophobicContact CB-CZ2 4.36Å; D166-W217 HydrophobicContact CB-CZ3 3.48Å; D166-W217 VanDerWaalsContact CB-CZ3 3.48Å
167V98.3Very high91.6Very high0 Ų068.3 Ų68.30%032%0.317CS..EExtended strand (participates in β ladder)trans-94.9112.2173.8177.30000108F150 H180 V181 L183 L188 I203 V205F150-V167 HydrophobicContact CE1-CG2 3.99Å; V167-H180 CarbonylContact O-C 3.59Å; V167-H180 WeakPolarHBondContact O-CA 3.41Å; V167-V181 PolarHBondContact N-O 3.2Å; V167-V181 PolarHBondContact O-N 3.19Å; V167-L183 HydrophobicContact CB-CD2 4.42Å; V167-L183 HydrophobicContact CG2-CD2 3.52Å; V167-L188 HydrophobicContact CB-CD2 4.06Å; V167-L188 HydrophobicContact CG1-CD2 3.89Å; V167-L188 HydrophobicContact CG2-CD2 4.23Å; V167-I203 HydrophobicContact CG1-CD1 3.7Å; V167-I203 HydrophobicContact CG1-CG1 3.92Å; V167-V205 HydrophobicContact CB-CG2 4.45Å; V167-V205 HydrophobicContact CG1-CG2 4.34Å; V167-V205 HydrophobicContact CG2-CB 4.42Å; V167-V205 HydrophobicContact CG2-CG1 3.77Å; V167-V205 HydrophobicContact CG2-CG2 3.87Å
168A97.4Very high91.6Very high0 Ų070.7 Ų70.70%033%0.326CS..EExtended strand (participates in β ladder)trans-104127.7176.600000110W178 M179 I203 K204 W220A168-W178 HydrophobicContact CB-CD2 4.37Å; A168-W178 HydrophobicContact CB-CE3 3.61Å; A168-W178 HydrophobicContact CB-CZ3 4.11Å; A168-W178 WeakPolarHBondContact O-CZ3 3.46Å; A168-M179 CarbonylContact C-O 3.58Å; A168-M179 WeakPolarHBondContact CA-O 3.45Å; A168-I203 WeakPolarHBondContact O-CA 3.38Å; A168-K204 HydrophobicContact CB-CG 4.39Å; A168-K204 PolarHBondContact N-O 2.88Å; A168-K204 PolarHBondContact O-N 2.95Å; A168-W220 HydrophobicContact CB-CH2 3.52Å; A168-W220 HydrophobicContact CB-CZ3 3.66Å
169Y96.3Very high91.8Very high23 Ų2367.3 Ų67.39%0.0931%0.313CS..EExtended strand (participates in β ladder)trans-138.2152.3175.167.1-79000112.8M179 V181 L190 L195 Y201 E202Y169-M179 HydrophobicContact CD1-CB 4.17Å; Y169-M179 WeakPolarHBondContact CD1-O 3.33Å; Y169-M179 HydrophobicContact CD2-CB 4.41Å; Y169-M179 HydrophobicContact CD2-CE 3.73Å; Y169-M179 HydrophobicContact CE1-CB 3.82Å; Y169-M179 HydrophobicContact CE2-CB 4.06Å; Y169-M179 HydrophobicContact CE2-CE 3.41Å; Y169-M179 VanDerWaalsContact CE2-CE 3.41Å; Y169-M179 HydrophobicContact CE2-SD 3.81Å; Y169-M179 HydrophobicContact CG-CB 4.45Å; Y169-M179 PolarHBondContact N-O 2.96Å; Y169-M179 WeakPolarHBondContact O-CB 3.38Å; Y169-M179 PolarHBondContact O-N 3.33Å; Y169-V181 HydrophobicContact CE1-CG2 3.99Å; Y169-L190 HydrophobicContact CD1-CD1 4.4Å; Y169-L190 HydrophobicContact CD2-CD1 4.32Å; Y169-L190 HydrophobicContact CE1-CD1 4.4Å; Y169-L190 HydrophobicContact CE1-CD2 3.87Å; Y169-L190 HydrophobicContact CE2-CD1 4.33Å; Y169-L190 HydrophobicContact CG-CD1 4.36Å; Y169-L195 HydrophobicContact CD2-CD2 4.23Å; Y169-L195 HydrophobicContact CE2-CD2 3.67Å; Y169-Y201 HydrophobicContact CD2-CD1 4.23Å; Y169-Y201 HydrophobicContact CD2-CE1 4.38Å; Y169-E202 CarbonylContact C-O 3.56Å; Y169-E202 WeakPolarHBondContact CA-O 3.34Å
170R95.3Very high92.1Very high46 Ų4667.6 Ų67.617%0.17432%0.317CS..EExtended strand (participates in β ladder)trans-152.7162178.461.1169.7178.6172.61.5111.1D174 E175 W178 Y201 E202R170-D174 WeakPolarHBondContact CD-O 3.32Å; R170-E175 PolarHBondContact NH1-O 2.92Å; R170-W178 HydrophobicContact CB-CD2 4.36Å; R170-W178 HydrophobicContact CB-CE3 4.23Å; R170-W178 HydrophobicContact CG-CD2 4.07Å; R170-W178 HydrophobicContact CG-CE3 3.93Å; R170-W178 HydrophobicContact CG-CH2 3.97Å; R170-W178 HydrophobicContact CG-CZ2 4.07Å; R170-W178 HydrophobicContact CG-CZ3 3.9Å; R170-Y201 CarbonylContact O-C 3.5Å; R170-Y201 VanDerWaalsContact O-CA 3.28Å; R170-Y201 WeakPolarHBondContact O-CA 3.23Å; R170-Y201 WeakPolarHBondContact O-CD1 3.43Å; R170-E202 HydrophobicContact CG-CB 4.22Å; R170-E202 IonicContact CZ-OE2 2.81Å; R170-E202 PolarHBondContact N-O 2.87Å; R170-E202 IonicContact NE-OE2 2.68Å; R170-E202 PolarHBondContact NE-OE2 3.06Å; R170-E202 IonicContact NH2-OE2 3.7Å; R170-E202 PolarHBondContact NH2-OE2 2.79Å; R170-E202 PolarHBondContact O-N 2.79Å
171Q94.2Very high92.3Very high40 Ų4069.5 Ų69.519%0.18733%0.329CS..EExtended strand (participates in β ladder)trans-68.3137.9163.4-173.4166.7-8.400108.5K173 D174 A199 M200 Y201Q171-K173 PolarHBondContact O-N 2.76Å; Q171-K173 VanDerWaalsContact O-N 3.15Å; Q171-D174 HydrophobicContact CB-CB 4.28Å; Q171-D174 PolarHBondContact O-N 2.9Å; Q171-A199 HydrophobicContact CG-CB 4.4Å; Q171-M200 WeakPolarHBondContact CA-O 3.16Å; Q171-Y201 HydrophobicContact CB-CE1 4.24Å
172E90.4Very high92.6Very high89 Ų8968.6 Ų68.642%0.41633%0.33SS..THydrogen-bonded Turntrans-57.6-31.9-175.9-179.5-179.2-129.200112.8M200E172-M200 HydrophobicContact CB-CB 3.87Å; E172-M200 PolarHBondContact N-O 3.22Å; E172-M200 WeakPolarHBondContact OE2-CB 3.49Å
173K84.6Confident92.8Very high172 Ų17266.3 Ų66.375%0.74832%0.315SS*.THydrogen-bonded Turntrans-80.6-11.1178.8-60.3-179.2-179.9178.20114Q171Q171-K173 PolarHBondContact O-N 2.76Å; Q171-K173 VanDerWaalsContact O-N 3.15Å
174D83.4Confident92.7Very high84 Ų8470.1 Ų70.145%0.44934%0.342SS..  trans-97.588.1-177.3-75.8-9.7000110.7R170 Q171 N176R170-D174 WeakPolarHBondContact CD-O 3.32Å; Q171-D174 HydrophobicContact CB-CB 4.28Å; Q171-D174 PolarHBondContact O-N 2.9Å; D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 2.77Å
175E75.5Confident92.6Very high151 Ų15170.1 Ų70.171%0.70635%0.349SS*.THydrogen-bonded Turntrans-58.6-34.9-173.6-65.4-170.9141.700113.9R170R170-E175 PolarHBondContact NH1-O 2.92Å
176N76.4Confident92.5Very high156 Ų15672 Ų7283%0.83436%0.361SS*.THydrogen-bonded Turntrans-109.93.3-159.7-70.1-54.2000116.6D174D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 2.77Å
177K89.6Confident92.4Very high160 Ų16077.1 Ų77.170%0.69638%0.383SS*.  trans-138.298.5-176.5-164.5175-177.9-179.30114.4
178W94.6Very high92.4Very high63 Ų6378.3 Ų78.324%0.23939%0.389CS..  trans-81.5136.1168.4-69.588.2000111.4A168 R170 E202 K204A168-W178 HydrophobicContact CB-CD2 4.37Å; A168-W178 HydrophobicContact CB-CE3 3.61Å; A168-W178 HydrophobicContact CB-CZ3 4.11Å; A168-W178 WeakPolarHBondContact O-CZ3 3.46Å; R170-W178 HydrophobicContact CB-CD2 4.36Å; R170-W178 HydrophobicContact CB-CE3 4.23Å; R170-W178 HydrophobicContact CG-CD2 4.07Å; R170-W178 HydrophobicContact CG-CE3 3.93Å; R170-W178 HydrophobicContact CG-CH2 3.97Å; R170-W178 HydrophobicContact CG-CZ2 4.07Å; R170-W178 HydrophobicContact CG-CZ3 3.9Å; W178-E202 HydrophobicContact CH2-CB 4.44Å; W178-E202 HydrophobicContact CH2-CG 3.98Å; W178-E202 WeakPolarHBondContact CH2-OE1 3.44Å; W178-E202 WeakPolarHBondContact CH2-OE2 3.28Å; W178-K204 HydrophobicContact CH2-CD 3.84Å; W178-K204 HydrophobicContact CH2-CG 4.1Å; W178-K204 VanDerWaalsContact CH2-NZ 3.25Å; W178-K204 HydrophobicContact CZ3-CD 4.2Å; W178-K204 HydrophobicContact CZ3-CG 3.97Å
179M95.3Very high92.4Very high68 Ų6881.2 Ų81.234%0.33541%0.406SS..EExtended strand (participates in β ladder)trans-94.5124.8166-70.1173.5-79.600108.6A168 Y169 Y201A168-M179 CarbonylContact C-O 3.58Å; A168-M179 WeakPolarHBondContact CA-O 3.45Å; Y169-M179 HydrophobicContact CD1-CB 4.17Å; Y169-M179 WeakPolarHBondContact CD1-O 3.33Å; Y169-M179 HydrophobicContact CD2-CB 4.41Å; Y169-M179 HydrophobicContact CD2-CE 3.73Å; Y169-M179 HydrophobicContact CE1-CB 3.82Å; Y169-M179 HydrophobicContact CE2-CB 4.06Å; Y169-M179 HydrophobicContact CE2-CE 3.41Å; Y169-M179 VanDerWaalsContact CE2-CE 3.41Å; Y169-M179 HydrophobicContact CE2-SD 3.81Å; Y169-M179 HydrophobicContact CG-CB 4.45Å; Y169-M179 PolarHBondContact N-O 2.96Å; Y169-M179 WeakPolarHBondContact O-CB 3.38Å; Y169-M179 PolarHBondContact O-N 3.33Å; M179-Y201 HydrophobicContact CE-CE1 4.2Å
180H97Very high92.4Very high99 Ų9980.6 Ų80.646%0.45841%0.405SS..EExtended strand (participates in β ladder)trans-108.7136.3-177.1-72.6-92.8000111D166 V167D166-H180 IonicContact OD1-CE1 2.85Å; D166-H180 IonicContact OD1-CG 2.7Å; D166-H180 IonicContact OD1-ND1 2.74Å; D166-H180 PolarHBondContact OD1-ND1 3.29Å; D166-H180 IonicContact OD2-CE1 3.83Å; D166-H180 IonicContact OD2-ND1 3.17Å; D166-H180 PolarHBondContact OD2-ND1 3.23Å; V167-H180 CarbonylContact O-C 3.59Å; V167-H180 WeakPolarHBondContact O-CA 3.41Å
181V97.2Very high92.4Very high42 Ų4281.3 Ų81.326%0.25541%0.412SS..EExtended strand (participates in β ladder)trans-131.3117.1174.6177.80000109.4V167 Y169 L188V167-V181 PolarHBondContact N-O 3.2Å; V167-V181 PolarHBondContact O-N 3.19Å; Y169-V181 HydrophobicContact CE1-CG2 3.99Å; V181-L188 HydrophobicContact CB-CD2 4.04Å; V181-L188 HydrophobicContact CG1-CD1 3.78Å; V181-L188 HydrophobicContact CG1-CD2 3.93Å; V181-L188 HydrophobicContact CG2-CD2 4.46Å
182N97.3Very high92.3Very high100 Ų10080.5 Ų80.554%0.53541%0.408SS..EExtended strand (participates in β ladder)trans-87.4134.5176.1-67.2-27.2000110.7M164 H165M164-N182 HydrophobicContact CG-CB 4.32Å; M164-N182 HydrophobicContact SD-CB 4.02Å; H165-N182 CarbonylContact O-C 3.6Å; H165-N182 VanDerWaalsContact O-CA 3.27Å; H165-N182 WeakPolarHBondContact O-CA 3.45Å
183L95.6Very high92.3Very high21 Ų2186 Ų8611%0.1143%0.425CS..EExtended strand (participates in β ladder)trans-155.7150.5176.871.6171.5000112.9H165 V167 S185 K187 L188H165-L183 HydrophobicContact CB-CD2 4Å; H165-L183 WeakPolarHBondContact CB-O 3.44Å; H165-L183 PolarHBondContact N-O 3.05Å; H165-L183 PolarHBondContact O-N 3.49Å; V167-L183 HydrophobicContact CB-CD2 4.42Å; V167-L183 HydrophobicContact CG2-CD2 3.52Å; L183-S185 WeakPolarHBondContact CD1-O 3.21Å; L183-S185 WeakPolarHBondContact CG-O 3.49Å; L183-K187 VanDerWaalsContact CD1-O 3.23Å; L183-K187 WeakPolarHBondContact CD1-O 3.22Å; L183-L188 HydrophobicContact CD1-CB 3.83Å; L183-L188 HydrophobicContact CD1-CD1 4.41Å
184S94.6Very high92.6Very high86 Ų8682.5 Ų82.560%0.60141%0.414SS*.SBendtrans-934.5176.3-44.60000113.6
185S95.1Very high93.1Very high63 Ų6379 Ų7944%0.44140%0.395SS..SBendtrans-116.6150.7-177.152.60000112.3F150 L183 K187F150-S185 WeakPolarHBondContact CZ-O 3.4Å; L183-S185 WeakPolarHBondContact CD1-O 3.21Å; L183-S185 WeakPolarHBondContact CG-O 3.49Å; S185-K187 PolarHBondContact O-N 3Å; S185-K187 PolarHBondContact OG-O 2.53Å
186T96.6Very high93.9Very high46 Ų4677.1 Ų77.128%0.28239%0.387SS..SBendtrans-76.717.1177.547.60000114.7T149 F150 T152 L155T149-T186 WeakPolarHBondContact CA-O 3.4Å; F150-T186 HydrophobicContact CD2-CG2 4.21Å; F150-T186 HydrophobicContact CE2-CG2 3.98Å; F150-T186 PolarHBondContact N-O 3.28Å; F150-T186 WeakPolarHBondContact O-CB 3.43Å; T152-T186 HydrophobicContact CG2-CG2 4.17Å; L155-T186 HydrophobicContact CD1-CG2 4.15Å
187K96.8Very high94.6Very high111 Ų11172.3 Ų72.348%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-145131.1-175.8-176.8-179-179.6-178.10110.8V147 V148 T149 L183 S185V147-K187 HydrophobicContact CG1-CD 4.43Å; V147-K187 HydrophobicContact CG1-CG 4.29Å; V148-K187 WeakPolarHBondContact O-CA 3.21Å; T149-K187 HydrophobicContact CG2-CB 4.21Å; T149-K187 HydrophobicContact CG2-CD 4.5Å; T149-K187 HydrophobicContact CG2-CG 3.97Å; L183-K187 VanDerWaalsContact CD1-O 3.23Å; L183-K187 WeakPolarHBondContact CD1-O 3.22Å; S185-K187 PolarHBondContact O-N 3Å; S185-K187 PolarHBondContact OG-O 2.53Å
188L97.2Very high94.7Very high25 Ų2569.6 Ų69.613%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-127156.9173.7178.160.7000109.7V148 V167 V181 L183 L190V148-L188 HydrophobicContact CB-CB 4.23Å; V148-L188 PolarHBondContact N-O 2.9Å; V148-L188 PolarHBondContact O-N 3.14Å; V167-L188 HydrophobicContact CB-CD2 4.06Å; V167-L188 HydrophobicContact CG1-CD2 3.89Å; V167-L188 HydrophobicContact CG2-CD2 4.23Å; V181-L188 HydrophobicContact CB-CD2 4.04Å; V181-L188 HydrophobicContact CG1-CD1 3.78Å; V181-L188 HydrophobicContact CG1-CD2 3.93Å; V181-L188 HydrophobicContact CG2-CD2 4.46Å; L183-L188 HydrophobicContact CD1-CB 3.83Å; L183-L188 HydrophobicContact CD1-CD1 4.41Å; L188-L190 HydrophobicContact CD2-CD2 3.86Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD2 4.17Å
189T97Very high94.7Very high60 Ų6067 Ų6737%0.36835%0.346SS..EExtended strand (participates in β ladder)trans-124.7123.8171.4-59.80000109.4D145 F146D145-T189 HydrophobicContact CB-CG2 3.68Å; D145-T189 VanDerWaalsContact CG-CG2 3.43Å; D145-T189 WeakPolarHBondContact OD2-CG2 3.35Å; F146-T189 CarbonylContact O-C 3.57Å; F146-T189 WeakPolarHBondContact O-CA 3.37Å
190L96.5Very high94.7Very high11 Ų1166.7 Ų66.76%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-106.7121.5174.5-58.1177.4000109.3D145 F146 V148 Y169 L188 L195 I203D145-L190 WeakPolarHBondContact CA-O 3.46Å; D145-L190 WeakPolarHBondContact CB-O 3.48Å; F146-L190 HydrophobicContact CB-CB 4.36Å; F146-L190 PolarHBondContact N-O 2.91Å; F146-L190 PolarHBondContact O-N 2.88Å; V148-L190 HydrophobicContact CG2-CD1 3.95Å; V148-L190 HydrophobicContact CG2-CG 4.15Å; Y169-L190 HydrophobicContact CD1-CD1 4.4Å; Y169-L190 HydrophobicContact CD2-CD1 4.32Å; Y169-L190 HydrophobicContact CE1-CD1 4.4Å; Y169-L190 HydrophobicContact CE1-CD2 3.87Å; Y169-L190 HydrophobicContact CE2-CD1 4.33Å; Y169-L190 HydrophobicContact CG-CD1 4.36Å; L188-L190 HydrophobicContact CD2-CD2 3.86Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD2 4.17Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; L190-I203 HydrophobicContact CD1-CD1 4.19Å
191L94.9Very high94.6Very high61 Ų6162.4 Ų62.432%0.31932%0.324SS..EExtended strand (participates in β ladder)trans-73.3134.7-179.9-55.2178.9000110.6D145 R193 N194D145-L191 HydrophobicContact CB-CD2 4.19Å; L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 HydrophobicContact CB-CG 4.19Å; L191-R193 PolarHBondContact O-N 2.79Å; L191-N194 WeakPolarHBondContact O-CB 3.35Å; L191-N194 PolarHBondContact O-N 3.17Å
192Q92.6Very high94.6Very high22 Ų2261 Ų6110%0.10332%0.315CS..G310 helixtrans-54.8-41.9179.6-178.3-170.30.200111.9Y139 N144 F146 N194 L195Y139-Q192 PolarHBondContact OH-OE1 3.31Å; N144-Q192 HydrophobicContact CB-CB 4.38Å; N144-Q192 PolarHBondContact ND2-OE1 2.82Å; N144-Q192 WeakPolarHBondContact O-CB 3.27Å; N144-Q192 PolarHBondContact O-N 2.96Å; F146-Q192 HydrophobicContact CE2-CB 4.17Å; F146-Q192 HydrophobicContact CE2-CG 4.37Å; Q192-N194 PolarHBondContact O-N 2.89Å; Q192-N194 VanDerWaalsContact O-N 3.1Å; Q192-L195 PolarHBondContact O-N 2.87Å
193R90.4Very high94.6Very high204 Ų20456.2 Ų56.277%0.7729%0.29SS*.G310 helixtrans-63.4-12178.374.5-177.9-176.2-175.3-3.5115.1L191L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 HydrophobicContact CB-CG 4.19Å; L191-R193 PolarHBondContact O-N 2.79Å
194N92Very high94.7Very high99 Ų9956.9 Ų56.953%0.52929%0.292SS..G310 helixtrans-96.8-2.1176.8-65.518.1000112.1L191 Q192L191-N194 WeakPolarHBondContact O-CB 3.35Å; L191-N194 PolarHBondContact O-N 3.17Å; Q192-N194 PolarHBondContact O-N 2.89Å; Q192-N194 VanDerWaalsContact O-N 3.1Å
195L92.9Very high94.9Very high10 Ų1052.8 Ų52.85%0.05226%0.263CS..SBendtrans-116.4155179.4-55.4178.3000109.4F146 Y169 L190 Q192 Y201 F226 T228F146-L195 HydrophobicContact CD2-CD1 3.73Å; F146-L195 HydrophobicContact CE2-CD1 3.76Å; Y169-L195 HydrophobicContact CD2-CD2 4.23Å; Y169-L195 HydrophobicContact CE2-CD2 3.67Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; Q192-L195 PolarHBondContact O-N 2.87Å; L195-Y201 HydrophobicContact CB-CE2 4.01Å; L195-Y201 HydrophobicContact CD2-CD1 4.44Å; L195-Y201 HydrophobicContact CD2-CE1 3.89Å; L195-F226 HydrophobicContact CD1-CE2 4.12Å; L195-F226 HydrophobicContact CD1-CZ 4.26Å; L195-T228 HydrophobicContact CB-CG2 3.9Å; L195-T228 HydrophobicContact CD1-CG2 3.92Å
196Q91.5Very high95.1Very high113 Ų11352.4 Ų52.453%0.52825%0.252SS..  trans-70141.8173.1-64.7-61.7-1400110.3A199 Y201 T228Q196-A199 HydrophobicContact CB-CB 4.03Å; Q196-Y201 PolarHBondContact N-OH 2.93Å; Q196-T228 WeakPolarHBondContact O-CB 3.36Å; Q196-T228 WeakPolarHBondContact O-CG2 3.17Å; Q196-T228 PolarHBondContact O-OG1 3.24Å
197P92.7Very high95.1Very high55 Ų5550.2 Ų50.236%0.35724%0.238SC..THydrogen-bonded Turntrans-67.2156.317428.8-35000112.2A199 I231P197-A199 PolarHBondContact O-N 2.89Å; P197-I231 HydrophobicContact CB-CB 4.16Å; P197-I231 HydrophobicContact CB-CD1 3.92Å; P197-I231 HydrophobicContact CB-CG1 3.85Å; P197-I231 HydrophobicContact CG-CD1 4.32Å
198E91.8Very high95.2Very high103 Ų10346.5 Ų46.548%0.48122%0.223SC..THydrogen-bonded Turntrans56.910172-142.2-145.6139.300116.4R227 T228 P229 E230E198-R227 PolarHBondContact O-NE 2.72Å; E198-R227 PolarHBondContact O-NH2 3.18Å; E198-R227 IonicContact OE1-CZ 2.65Å; E198-R227 IonicContact OE1-NH2 2.61Å; E198-R227 PolarHBondContact OE1-NH2 2.85Å; E198-T228 WeakPolarHBondContact CA-O 3.36Å; E198-T228 PolarHBondContact N-O 2.89Å; E198-T228 PolarHBondContact N-OG1 2.68Å; E198-P229 PolarHBondContact N-O 2.83Å; E198-P229 VanDerWaalsContact N-O 3.09Å; E198-E230 HydrophobicContact CG-CB 4.31Å
199A92.9Very high95.1Very high9 Ų945.9 Ų45.97%0.07422%0.221CC..  trans-101.9145-164.900000112.8Q171 Q196 P197 Y201 R227 T228Q171-A199 HydrophobicContact CG-CB 4.4Å; Q196-A199 HydrophobicContact CB-CB 4.03Å; P197-A199 PolarHBondContact O-N 2.89Å; A199-Y201 HydrophobicContact CB-CD2 4.38Å; A199-Y201 HydrophobicContact CB-CE2 4Å; A199-R227 CarbonylContact O-C 3.57Å; A199-R227 WeakPolarHBondContact O-CA 3.3Å; A199-T228 PolarHBondContact N-OG1 2.94Å; A199-T228 PolarHBondContact O-N 2.85Å; A199-T228 PolarHBondContact O-OG1 2.75Å
200M95.5Very high94.9Very high61 Ų6145.6 Ų45.630%0.322%0.217SC..EExtended strand (participates in β ladder)trans-78.9131.1169.4-69.6-57.8-59.400110.7Q171 E172 R227Q171-M200 WeakPolarHBondContact CA-O 3.16Å; E172-M200 HydrophobicContact CB-CB 3.87Å; E172-M200 PolarHBondContact N-O 3.22Å; E172-M200 WeakPolarHBondContact OE2-CB 3.49Å; M200-R227 HydrophobicContact SD-CB 3.63Å; M200-R227 HydrophobicContact SD-CG 3.73Å
201Y96Very high94.4Very high9 Ų951.7 Ų51.74%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-119135.7175.8-85-93.5000110.9Y169 R170 Q171 M179 L195 Q196 A199 Y225 F226 T228Y169-Y201 HydrophobicContact CD2-CD1 4.23Å; Y169-Y201 HydrophobicContact CD2-CE1 4.38Å; R170-Y201 CarbonylContact O-C 3.5Å; R170-Y201 VanDerWaalsContact O-CA 3.28Å; R170-Y201 WeakPolarHBondContact O-CA 3.23Å; R170-Y201 WeakPolarHBondContact O-CD1 3.43Å; Q171-Y201 HydrophobicContact CB-CE1 4.24Å; M179-Y201 HydrophobicContact CE-CE1 4.2Å; L195-Y201 HydrophobicContact CB-CE2 4.01Å; L195-Y201 HydrophobicContact CD2-CD1 4.44Å; L195-Y201 HydrophobicContact CD2-CE1 3.89Å; Q196-Y201 PolarHBondContact N-OH 2.93Å; A199-Y201 HydrophobicContact CB-CD2 4.38Å; A199-Y201 HydrophobicContact CB-CE2 4Å; Y201-Y225 WeakPolarHBondContact O-CA 3.36Å; Y201-F226 VanDerWaalsContact CB-CE1 3.48Å; Y201-F226 HydrophobicContact CG-CE1 4.43Å; Y201-F226 HydrophobicContact CG-CZ 4.08Å; Y201-F226 PolarHBondContact N-O 2.97Å; Y201-F226 PolarHBondContact O-N 2.88Å; Y201-T228 HydrophobicContact CD2-CG2 3.86Å; Y201-T228 HydrophobicContact CE2-CG2 3.89Å
202E96.9Very high94.1Very high12 Ų1256.6 Ų56.66%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-95.8134.4166.5-171.5-168.1168.500108.6Y169 R170 W178 S223 Y225Y169-E202 CarbonylContact C-O 3.56Å; Y169-E202 WeakPolarHBondContact CA-O 3.34Å; R170-E202 HydrophobicContact CG-CB 4.22Å; R170-E202 IonicContact CZ-OE2 2.81Å; R170-E202 PolarHBondContact N-O 2.87Å; R170-E202 IonicContact NE-OE2 2.68Å; R170-E202 PolarHBondContact NE-OE2 3.06Å; R170-E202 IonicContact NH2-OE2 3.7Å; R170-E202 PolarHBondContact NH2-OE2 2.79Å; R170-E202 PolarHBondContact O-N 2.79Å; W178-E202 HydrophobicContact CH2-CB 4.44Å; W178-E202 HydrophobicContact CH2-CG 3.98Å; W178-E202 WeakPolarHBondContact CH2-OE1 3.44Å; W178-E202 WeakPolarHBondContact CH2-OE2 3.28Å; E202-S223 WeakPolarHBondContact OE1-CB 3.48Å; E202-S223 PolarHBondContact OE1-OG 3.15Å; E202-Y225 HydrophobicContact CB-CD1 4.22Å; E202-Y225 HydrophobicContact CB-CE1 3.93Å; E202-Y225 HydrophobicContact CG-CD1 4.33Å; E202-Y225 HydrophobicContact CG-CE1 3.73Å
203I97.4Very high94.2Very high0 Ų056.8 Ų56.80%026%0.261CS..EExtended strand (participates in β ladder)trans-138.6139.6175.8-177.3164000111.3L135 V137 V148 V167 A168 L190 S223 Y224 F226L135-I203 HydrophobicContact CD2-CG2 4.4Å; L135-I203 VanDerWaalsContact CD2-O 3.3Å; L135-I203 WeakPolarHBondContact CD2-O 3.44Å; V137-I203 HydrophobicContact CG2-CG2 3.89Å; V148-I203 HydrophobicContact CB-CD1 4.5Å; V148-I203 HydrophobicContact CG1-CD1 3.84Å; V148-I203 HydrophobicContact CG2-CD1 3.86Å; V167-I203 HydrophobicContact CG1-CD1 3.7Å; V167-I203 HydrophobicContact CG1-CG1 3.92Å; A168-I203 WeakPolarHBondContact O-CA 3.38Å; L190-I203 HydrophobicContact CD1-CD1 4.19Å; I203-S223 WeakPolarHBondContact O-CA 3.36Å; I203-Y224 HydrophobicContact CG2-CD1 4.39Å; I203-Y224 WeakPolarHBondContact CG2-O 3.1Å; I203-Y224 PolarHBondContact N-O 3.2Å; I203-Y224 PolarHBondContact O-N 2.81Å; I203-F226 HydrophobicContact CB-CE1 4.24Å; I203-F226 HydrophobicContact CG2-CD1 3.93Å; I203-F226 HydrophobicContact CG2-CE1 3.8Å
204K97.8Very high94.4Very high35 Ų3553.5 Ų53.515%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-150.3158.5179.359.1-175.1-179.3-153.70111.4A168 W178 W220A168-K204 HydrophobicContact CB-CG 4.39Å; A168-K204 PolarHBondContact N-O 2.88Å; A168-K204 PolarHBondContact O-N 2.95Å; W178-K204 HydrophobicContact CH2-CD 3.84Å; W178-K204 HydrophobicContact CH2-CG 4.1Å; W178-K204 VanDerWaalsContact CH2-NZ 3.25Å; W178-K204 HydrophobicContact CZ3-CD 4.2Å; W178-K204 HydrophobicContact CZ3-CG 3.97Å; K204-W220 HydrophobicContact CB-CE3 4.13Å; K204-W220 HydrophobicContact CD-CB 4.27Å; K204-W220 HydrophobicContact CD-CD2 3.83Å; K204-W220 HydrophobicContact CD-CE3 3.88Å; K204-W220 HydrophobicContact CD-CG 4.03Å; K204-W220 HydrophobicContact CD-CZ3 4.5Å; K204-W220 HydrophobicContact CG-CD2 4.08Å; K204-W220 HydrophobicContact CG-CE3 3.57Å; K204-W220 HydrophobicContact CG-CZ3 3.94Å
205V98.5Very high94.6Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-133.9142.8-172.6-164.90000111.1P132 L135 F150 H165 D166 V167 S221P132-V205 HydrophobicContact CB-CB 4.17Å; P132-V205 HydrophobicContact CB-CG1 4.36Å; P132-V205 HydrophobicContact CG-CB 4.16Å; P132-V205 HydrophobicContact CG-CG1 4.02Å; L135-V205 HydrophobicContact CD1-CG2 3.8Å; L135-V205 HydrophobicContact CD2-CG2 4.16Å; F150-V205 HydrophobicContact CD1-CG1 4.15Å; F150-V205 HydrophobicContact CD1-CG2 3.93Å; F150-V205 HydrophobicContact CD2-CG1 4.29Å; F150-V205 HydrophobicContact CE1-CG1 3.92Å; F150-V205 HydrophobicContact CE1-CG2 4.32Å; F150-V205 HydrophobicContact CE2-CG1 4.06Å; F150-V205 HydrophobicContact CG-CG1 4.33Å; F150-V205 HydrophobicContact CG-CG2 4.31Å; F150-V205 HydrophobicContact CZ-CG1 3.87Å; H165-V205 HydrophobicContact CB-CG1 4.22Å; D166-V205 WeakPolarHBondContact O-CA 3.19Å; V167-V205 HydrophobicContact CB-CG2 4.45Å; V167-V205 HydrophobicContact CG1-CG2 4.34Å; V167-V205 HydrophobicContact CG2-CB 4.42Å; V167-V205 HydrophobicContact CG2-CG1 3.77Å; V167-V205 HydrophobicContact CG2-CG2 3.87Å; V205-S221 PolarHBondContact N-OG 3.15Å; V205-S221 WeakPolarHBondContact O-CB 3.43Å; V205-S221 PolarHBondContact O-N 2.94Å
206R98.3Very high94.9Very high54 Ų5454.2 Ų54.220%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-136.3170.2170.462.5178.1177.2173.2-4.2110.6H165 D166 W217 S218 W220H165-R206 CarbonylContact C-O 3.58Å; H165-R206 VanDerWaalsContact CA-O 3.29Å; H165-R206 WeakPolarHBondContact CA-O 3.48Å; D166-R206 HydrophobicContact CB-CG 3.97Å; D166-R206 PolarHBondContact N-O 3.31Å; D166-R206 PolarHBondContact O-N 3.02Å; D166-R206 IonicContact OD2-CZ 3.21Å; D166-R206 IonicContact OD2-NE 2.72Å; D166-R206 PolarHBondContact OD2-NE 3.2Å; D166-R206 IonicContact OD2-NH2 3.01Å; D166-R206 PolarHBondContact OD2-NH2 2.96Å; R206-W217 HydrophobicContact CB-CE3 4.38Å; R206-W217 HydrophobicContact CG-CD2 4.31Å; R206-W217 HydrophobicContact CG-CE3 3.6Å; R206-W217 HydrophobicContact CG-CZ3 4.05Å; R206-S218 WeakPolarHBondContact CA-OG 3.48Å; R206-W220 HydrophobicContact CB-CD2 4.19Å; R206-W220 HydrophobicContact CB-CE3 3.8Å; R206-W220 HydrophobicContact CB-CZ3 4.11Å; R206-W220 HydrophobicContact CG-CD2 4.22Å; R206-W220 HydrophobicContact CG-CE3 3.74Å; R206-W220 HydrophobicContact CG-CH2 3.83Å; R206-W220 HydrophobicContact CG-CZ2 4.29Å; R206-W220 HydrophobicContact CG-CZ3 3.54Å; R206-W220 VanDerWaalsContact NE-CH2 3.28Å
207S98Very high95.2Very high0 Ų052.3 Ų52.30%025%0.246CC..EExtended strand (participates in β ladder)trans-134.4149.5-177.3-43.90000113P132 M164 H165 W217 S218P132-S207 WeakPolarHBondContact CG-OG 3.15Å; M164-S207 CarbonylContact O-C 3.56Å; M164-S207 WeakPolarHBondContact O-CA 3.49Å; H165-S207 PolarHBondContact CE1-OG 3.22Å; H165-S207 PolarHBondContact ND1-OG 3.45Å; S207-W217 VanDerWaalsContact C-CE3 3.45Å; S207-W217 CarbonylContact O-C 3.43Å; S207-W217 WeakPolarHBondContact O-CA 3.3Å; S207-S218 PolarHBondContact N-OG 3.1Å; S207-S218 PolarHBondContact O-N 3.23Å
208I97.9Very high95.5Very high33 Ų3350 Ų5017%0.16923%0.231CC..EExtended strand (participates in β ladder)trans-126.7148.1170.4-166.7164.2000109.6L163 M164 W217L163-I208 WeakPolarHBondContact CA-O 3.28Å; M164-I208 HydrophobicContact CB-CG2 3.97Å; M164-I208 HydrophobicContact CE-CG2 3.78Å; M164-I208 PolarHBondContact N-O 3.4Å; M164-I208 PolarHBondContact O-N 2.83Å; I208-W217 HydrophobicContact CB-CD2 3.88Å; I208-W217 HydrophobicContact CB-CE3 3.66Å; I208-W217 HydrophobicContact CB-CH2 4.08Å; I208-W217 HydrophobicContact CB-CZ2 4.29Å; I208-W217 HydrophobicContact CB-CZ3 3.76Å; I208-W217 HydrophobicContact CD1-CD2 4.24Å; I208-W217 HydrophobicContact CD1-CG 4.41Å; I208-W217 HydrophobicContact CD1-CZ2 4.4Å; I208-W217 HydrophobicContact CG2-CD2 4.43Å; I208-W217 HydrophobicContact CG2-CE3 4.09Å; I208-W217 HydrophobicContact CG2-CH2 3.57Å; I208-W217 HydrophobicContact CG2-CZ2 3.95Å; I208-W217 HydrophobicContact CG2-CZ3 3.65Å
209P96.6Very high95.8Very high12 Ų1250.7 Ų50.78%0.07823%0.234CC..EExtended strand (participates in β ladder)trans-63.1142.7175.4-18.432.1000111.6V127 P129 V160 F213V127-P209 HydrophobicContact CB-CG 3.89Å; V127-P209 HydrophobicContact CG1-CG 3.82Å; V127-P209 WeakPolarHBondContact O-CG 3.38Å; P129-P209 HydrophobicContact CG-CG 3.87Å; V160-P209 HydrophobicContact CG1-CB 4.42Å; P209-F213 HydrophobicContact CB-CB 3.85Å
210D92Very high96Very high54 Ų5454.2 Ų54.229%0.28925%0.246SC..  trans-121.2160.5176-169.79.3000111.1V162 Y212V162-D210 HydrophobicContact CG1-CB 4.15Å; V162-D210 PolarHBondContact O-N 3.25Å; D210-Y212 PolarHBondContact O-N 3.49Å; D210-Y212 VanDerWaalsContact O-N 3.12Å
211H85.1Confident96.1Very high140 Ų14051.5 Ų51.565%0.64823%0.233SC*.THydrogen-bonded Turntrans63.4-95.4-179.8-55.2-1.9000114.2
212Y89.4Confident96.2Very high164 Ų16456 Ų5664%0.64326%0.263SS*.THydrogen-bonded Turntrans-84.4-41.8-168.7-177.7-91.7000112.5D210D210-Y212 PolarHBondContact O-N 3.49Å; D210-Y212 VanDerWaalsContact O-N 3.12Å
213F94.5Very high96.2Very high25 Ų2557.4 Ų57.411%0.1127%0.274CS..  trans-85.7147.8176.9-64.4-78.1000109.8L46 T124 V127 Y159 V160 P209L46-F213 HydrophobicContact CD1-CD1 4.12Å; L46-F213 HydrophobicContact CD1-CE1 3.67Å; L46-F213 HydrophobicContact CD1-CZ 4.26Å; T124-F213 HydrophobicContact CG2-CD1 4.28Å; T124-F213 HydrophobicContact CG2-CE1 3.94Å; V127-F213 HydrophobicContact CG2-CB 4.34Å; V127-F213 HydrophobicContact CG2-CD1 4.01Å; Y159-F213 WeakPolarHBondContact O-CE2 3.49Å; V160-F213 HydrophobicContact CB-CD2 4.49Å; V160-F213 HydrophobicContact CG2-CD1 4.34Å; V160-F213 HydrophobicContact CG2-CD2 4.05Å; V160-F213 HydrophobicContact CG2-CE2 4.27Å; V160-F213 HydrophobicContact CG2-CG 4.09Å; P209-F213 HydrophobicContact CB-CB 3.85Å
214K95.7Very high96.2Very high136 Ų13661.4 Ų61.459%0.59129%0.29SS*.  trans-133165.2174.4-57.2-176.1-178.7-175.80109.5T124 T125 I126 V127T124-K214 PolarHBondContact O-N 2.87Å; T125-K214 CarbonylContact C-O 3.6Å; T125-K214 WeakPolarHBondContact CA-O 3.22Å; T125-K214 CarbonylContact O-C 3.59Å; I126-K214 PolarHBondContact N-O 3.14Å; V127-K214 WeakPolarHBondContact CB-O 3.39Å; V127-K214 PolarHBondContact N-O 2.93Å
215G96.3Very high96.2Very high26 Ų2665 Ų6527%0.26830%0.303SS..BIsolated β-bridgetrans153.3-125.3174.400000111.3T125 V127T125-G215 WeakPolarHBondContact O-CA 3.37Å; T125-G215 PolarHBondContact O-N 2.88Å; V127-G215 CarbonylContact O-C 3.57Å; V127-G215 WeakPolarHBondContact O-CA 3.08Å
216F97.7Very high96.1Very high97 Ų9765.8 Ų65.843%0.42531%0.307SS..  trans-120.6160.1-162.6-51.2-73.9000112.3C42 I126 V127 K128 P129C42-F216 WeakPolarHBondContact O-CE2 3.32Å; I126-F216 HydrophobicContact CB-CE2 3.91Å; I126-F216 HydrophobicContact CG2-CE2 4.25Å; I126-F216 HydrophobicContact CG2-CZ 4.45Å; V127-F216 PolarHBondContact O-N 2.9Å; K128-F216 HydrophobicContact CB-CB 4.45Å; K128-F216 HydrophobicContact CG-CB 4.46Å; P129-F216 WeakPolarHBondContact CD-O 3.48Å
217W98.3Very high95.9Very high73 Ų7370 Ų7028%0.27732%0.323SS..PPolyproline II helixtrans-60.5140.6164.6-69.9104.9000111K128 M164 D166 R206 S207 I208K128-W217 WeakPolarHBondContact CE-O 3.48Å; M164-W217 HydrophobicContact CE-CH2 4.12Å; M164-W217 HydrophobicContact CE-CZ2 4.45Å; D166-W217 HydrophobicContact CB-CE3 4.34Å; D166-W217 HydrophobicContact CB-CH2 3.5Å; D166-W217 VanDerWaalsContact CB-CH2 3.5Å; D166-W217 HydrophobicContact CB-CZ2 4.36Å; D166-W217 HydrophobicContact CB-CZ3 3.48Å; D166-W217 VanDerWaalsContact CB-CZ3 3.48Å; R206-W217 HydrophobicContact CB-CE3 4.38Å; R206-W217 HydrophobicContact CG-CD2 4.31Å; R206-W217 HydrophobicContact CG-CE3 3.6Å; R206-W217 HydrophobicContact CG-CZ3 4.05Å; S207-W217 VanDerWaalsContact C-CE3 3.45Å; S207-W217 CarbonylContact O-C 3.43Å; S207-W217 WeakPolarHBondContact O-CA 3.3Å; I208-W217 HydrophobicContact CB-CD2 3.88Å; I208-W217 HydrophobicContact CB-CE3 3.66Å; I208-W217 HydrophobicContact CB-CH2 4.08Å; I208-W217 HydrophobicContact CB-CZ2 4.29Å; I208-W217 HydrophobicContact CB-CZ3 3.76Å; I208-W217 HydrophobicContact CD1-CD2 4.24Å; I208-W217 HydrophobicContact CD1-CG 4.41Å; I208-W217 HydrophobicContact CD1-CZ2 4.4Å; I208-W217 HydrophobicContact CG2-CD2 4.43Å; I208-W217 HydrophobicContact CG2-CE3 4.09Å; I208-W217 HydrophobicContact CG2-CH2 3.57Å; I208-W217 HydrophobicContact CG2-CZ2 3.95Å; I208-W217 HydrophobicContact CG2-CZ3 3.65Å
218S98.1Very high95.8Very high7 Ų770.3 Ų70.35%0.04932%0.324CS..PPolyproline II helixtrans-60168.2163.271.50000110.9P129 R206 S207P129-S218 WeakPolarHBondContact O-CB 3.15Å; R206-S218 WeakPolarHBondContact CA-OG 3.48Å; S207-S218 PolarHBondContact N-OG 3.1Å; S207-S218 PolarHBondContact O-N 3.23Å
219E98.2Very high95.5Very high117 Ų11770.6 Ų70.655%0.54733%0.328SS..PPolyproline II helixtrans-58.2158.5157.5-60.3-49.6136.200110.7K128 A131K128-E219 WeakPolarHBondContact CE-OE1 3.36Å; K128-E219 IonicContact NZ-OE1 2.89Å; K128-E219 PolarHBondContact NZ-OE1 2.84Å; A131-E219 HydrophobicContact CB-CB 4.25Å; A131-E219 WeakPolarHBondContact CB-O 3.14Å
220W98.4Very high94.9Very high83 Ų8376 Ų7631%0.31435%0.352SS..PPolyproline II helixtrans-67147.2170-67.5103.2000110.7A168 K204 R206A168-W220 HydrophobicContact CB-CH2 3.52Å; A168-W220 HydrophobicContact CB-CZ3 3.66Å; K204-W220 HydrophobicContact CB-CE3 4.13Å; K204-W220 HydrophobicContact CD-CB 4.27Å; K204-W220 HydrophobicContact CD-CD2 3.83Å; K204-W220 HydrophobicContact CD-CE3 3.88Å; K204-W220 HydrophobicContact CD-CG 4.03Å; K204-W220 HydrophobicContact CD-CZ3 4.5Å; K204-W220 HydrophobicContact CG-CD2 4.08Å; K204-W220 HydrophobicContact CG-CE3 3.57Å; K204-W220 HydrophobicContact CG-CZ3 3.94Å; R206-W220 HydrophobicContact CB-CD2 4.19Å; R206-W220 HydrophobicContact CB-CE3 3.8Å; R206-W220 HydrophobicContact CB-CZ3 4.11Å; R206-W220 HydrophobicContact CG-CD2 4.22Å; R206-W220 HydrophobicContact CG-CE3 3.74Å; R206-W220 HydrophobicContact CG-CH2 3.83Å; R206-W220 HydrophobicContact CG-CZ2 4.29Å; R206-W220 HydrophobicContact CG-CZ3 3.54Å; R206-W220 VanDerWaalsContact NE-CH2 3.28Å
221S98.2Very high93.9Very high5 Ų576.3 Ų76.34%0.03535%0.353CS..PPolyproline II helixtrans-56.1159.4158.873.80000110.1P132 V205 S223P132-S221 WeakPolarHBondContact O-CA 3.25Å; P132-S221 WeakPolarHBondContact O-CB 3.01Å; V205-S221 PolarHBondContact N-OG 3.15Å; V205-S221 WeakPolarHBondContact O-CB 3.43Å; V205-S221 PolarHBondContact O-N 2.94Å; S221-S223 PolarHBondContact O-N 2.64Å
222P97.6Very high92.6Very high104 Ų10476 Ų7668%0.67536%0.357SS*.PPolyproline II helixtrans-49138.4159.2-24.434.6000110.4Y224P222-Y224 PolarHBondContact O-N 2.92Å
223S96.9Very high90.7Very high40 Ų4073.9 Ų73.928%0.2836%0.357SS..PPolyproline II helixtrans-68.2130173.6-67.10000109.9E202 I203 S221E202-S223 WeakPolarHBondContact OE1-CB 3.48Å; E202-S223 PolarHBondContact OE1-OG 3.15Å; I203-S223 WeakPolarHBondContact O-CA 3.36Å; S221-S223 PolarHBondContact O-N 2.64Å
224Y97.4Very high88.4Confident85 Ų8576.2 Ų76.233%0.33338%0.376SS..EExtended strand (participates in β ladder)trans-98.4144.3170.2-169.1-86.5000109.3L135 V137 I203 P222 F226L135-Y224 WeakPolarHBondContact O-CD2 2.83Å; V137-Y224 HydrophobicContact CB-CD1 4.14Å; V137-Y224 HydrophobicContact CB-CE1 3.83Å; V137-Y224 HydrophobicContact CG2-CD1 3.63Å; V137-Y224 HydrophobicContact CG2-CE1 3.87Å; V137-Y224 HydrophobicContact CG2-CG 4.47Å; I203-Y224 HydrophobicContact CG2-CD1 4.39Å; I203-Y224 WeakPolarHBondContact CG2-O 3.1Å; I203-Y224 PolarHBondContact N-O 3.2Å; I203-Y224 PolarHBondContact O-N 2.81Å; P222-Y224 PolarHBondContact O-N 2.92Å; Y224-F226 HydrophobicContact CD1-CB 4.45Å; Y224-F226 HydrophobicContact CE1-CB 4.15Å
225Y96.8Very high85.9Confident111 Ų11175 Ų7544%0.43538%0.382SS..EExtended strand (participates in β ladder)trans-121129.1-177.6-63.6-96.2000109.5Y201 E202Y201-Y225 WeakPolarHBondContact O-CA 3.36Å; E202-Y225 HydrophobicContact CB-CD1 4.22Å; E202-Y225 HydrophobicContact CB-CE1 3.93Å; E202-Y225 HydrophobicContact CG-CD1 4.33Å; E202-Y225 HydrophobicContact CG-CE1 3.73Å
226F96.1Very high83.6Confident16 Ų1676.1 Ų76.17%0.0739%0.393CS..EExtended strand (participates in β ladder)trans-137.8151.9177.470.1-79.8000111.1V137 F146 L195 Y201 I203 Y224 T228V137-F226 HydrophobicContact CB-CB 4.49Å; V137-F226 HydrophobicContact CB-CD1 4.35Å; V137-F226 HydrophobicContact CB-CG 4.36Å; V137-F226 HydrophobicContact CG1-CD1 4.16Å; V137-F226 HydrophobicContact CG1-CD2 4.08Å; V137-F226 HydrophobicContact CG1-CE1 4.36Å; V137-F226 HydrophobicContact CG1-CE2 4.28Å; V137-F226 HydrophobicContact CG1-CG 4.02Å; V137-F226 HydrophobicContact CG1-CZ 4.41Å; V137-F226 HydrophobicContact CG2-CD1 4.05Å; V137-F226 HydrophobicContact CG2-CE1 4.38Å; F146-F226 AromaticContact CD1-CD2 3.94Å; F146-F226 HydrophobicContact CD1-CD2 3.94Å; F146-F226 AromaticContact CD1-CE2 3.84Å; F146-F226 HydrophobicContact CD1-CE2 3.84Å; F146-F226 AromaticContact CE1-CD2 3.84Å; F146-F226 HydrophobicContact CE1-CD2 3.84Å; F146-F226 AromaticContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CG-CE2 4.19Å; F146-F226 HydrophobicContact CZ-CE2 4.32Å; L195-F226 HydrophobicContact CD1-CE2 4.12Å; L195-F226 HydrophobicContact CD1-CZ 4.26Å; Y201-F226 VanDerWaalsContact CB-CE1 3.48Å; Y201-F226 HydrophobicContact CG-CE1 4.43Å; Y201-F226 HydrophobicContact CG-CZ 4.08Å; Y201-F226 PolarHBondContact N-O 2.97Å; Y201-F226 PolarHBondContact O-N 2.88Å; I203-F226 HydrophobicContact CB-CE1 4.24Å; I203-F226 HydrophobicContact CG2-CD1 3.93Å; I203-F226 HydrophobicContact CG2-CE1 3.8Å; Y224-F226 HydrophobicContact CD1-CB 4.45Å; Y224-F226 HydrophobicContact CE1-CB 4.15Å; F226-T228 HydrophobicContact CE2-CG2 4.29Å
227R95.3Very high81.4Confident143 Ų14379.7 Ų79.754%0.5441%0.411SS..EExtended strand (participates in β ladder)trans-100.7134.7172.4-155.2177.2-175.9178.80.4109.5E198 A199 M200E198-R227 PolarHBondContact O-NE 2.72Å; E198-R227 PolarHBondContact O-NH2 3.18Å; E198-R227 IonicContact OE1-CZ 2.65Å; E198-R227 IonicContact OE1-NH2 2.61Å; E198-R227 PolarHBondContact OE1-NH2 2.85Å; A199-R227 CarbonylContact O-C 3.57Å; A199-R227 WeakPolarHBondContact O-CA 3.3Å; M200-R227 HydrophobicContact SD-CB 3.63Å; M200-R227 HydrophobicContact SD-CG 3.73Å
228T94.9Very high79.5Confident5 Ų582 Ų823%0.03143%0.427CS..PPolyproline II helixtrans-72.9145.9164.952.90000109.7F146 L195 Q196 E198 A199 Y201 F226F146-T228 HydrophobicContact CE2-CG2 4.12Å; F146-T228 HydrophobicContact CZ-CG2 3.81Å; L195-T228 HydrophobicContact CB-CG2 3.9Å; L195-T228 HydrophobicContact CD1-CG2 3.92Å; Q196-T228 WeakPolarHBondContact O-CB 3.36Å; Q196-T228 WeakPolarHBondContact O-CG2 3.17Å; Q196-T228 PolarHBondContact O-OG1 3.24Å; E198-T228 WeakPolarHBondContact CA-O 3.36Å; E198-T228 PolarHBondContact N-O 2.89Å; E198-T228 PolarHBondContact N-OG1 2.68Å; A199-T228 PolarHBondContact N-OG1 2.94Å; A199-T228 PolarHBondContact O-N 2.85Å; A199-T228 PolarHBondContact O-OG1 2.75Å; Y201-T228 HydrophobicContact CD2-CG2 3.86Å; Y201-T228 HydrophobicContact CE2-CG2 3.89Å; F226-T228 HydrophobicContact CE2-CG2 4.29Å
229P91.6Very high77.7Confident40 Ų4085.8 Ų85.826%0.2645%0.446SS..PPolyproline II helixtrans-65.8157.2174.331.3-35.1000109.5Y139 E198 I231Y139-P229 HydrophobicContact CE1-CG 4.05Å; Y139-P229 HydrophobicContact CE2-CG 4.22Å; E198-P229 PolarHBondContact N-O 2.83Å; E198-P229 VanDerWaalsContact N-O 3.09Å; P229-I231 PolarHBondContact O-N 3.37Å
230E85.2Confident76.4Confident124 Ų12484.3 Ų84.358%0.57945%0.447SS*.PPolyproline II helixtrans-58.2130.6163.2-168.3175172.800108.4E198 N232E198-E230 HydrophobicContact CG-CB 4.31Å; E230-N232 PolarHBondContact O-N 3.35Å
231I70.3Confident75.2Confident61 Ų6185.6 Ų85.631%0.31346%0.459SS..  trans-74.9101.7165.7-67.2167.7000105.4P197 P229 N233P197-I231 HydrophobicContact CB-CB 4.16Å; P197-I231 HydrophobicContact CB-CD1 3.92Å; P197-I231 HydrophobicContact CB-CG1 3.85Å; P197-I231 HydrophobicContact CG-CD1 4.32Å; P229-I231 PolarHBondContact O-N 3.37Å; I231-N233 WeakPolarHBondContact CG2-ND2 3.31Å; I231-N233 PolarHBondContact O-N 2.89Å; I231-N233 PolarHBondContact O-ND2 2.82Å
232N57.2Low74.3Confident133 Ų13390.6 Ų90.671%0.71149%0.485SS*.  trans-60.879166.9-77.7-21.4000109.4E230 S234E230-N232 PolarHBondContact O-N 3.35Å; N232-S234 PolarHBondContact O-N 2.88Å
233N50.3Low73.6Confident121 Ų12189.4 Ų89.465%0.64747%0.472SS*.  trans-71.171.1174.2-74.3-73.1000109.4I231 P235I231-N233 WeakPolarHBondContact CG2-ND2 3.31Å; I231-N233 PolarHBondContact O-N 2.89Å; I231-N233 PolarHBondContact O-ND2 2.82Å; N233-P235 WeakPolarHBondContact O-CD 3.3Å
234S46.4Very low73Confident74 Ų7491.4 Ų91.452%0.51748%0.483SS..  trans-56.2117.1131.962.60000105.4N232 G236N232-S234 PolarHBondContact O-N 2.88Å; S234-G236 CarbonylContact O-C 3.59Å; S234-G236 PolarHBondContact O-N 2.88Å
235P42.3Very low72.6Confident110 Ų11092.1 Ų92.171%0.71449%0.491SS*.SBendtrans-7581-164.228.1-34.6000110.6N233N233-P235 WeakPolarHBondContact O-CD 3.3Å
236G49.7Very low72.3Confident49 Ų4990.4 Ų90.451%0.50550%0.496SS..  trans75.9122.2-157.800000111.2S234 M238S234-G236 CarbonylContact O-C 3.59Å; S234-G236 PolarHBondContact O-N 2.88Å; G236-M238 PolarHBondContact O-N 3.29Å
237E51.3Low72.1Confident172 Ų17293.5 Ų93.580%0.80451%0.512SS*.  trans-68.766.6142-168.4164.5-160.300107.5D239E237-D239 PolarHBondContact O-N 2.86Å
238M56.6Low72Confident122 Ų12292.6 Ų92.660%0.60152%0.518SS*.  trans-63.6100.4157.2-57.8-173.5-157.700104G236 L243G236-M238 PolarHBondContact O-N 3.29Å; M238-L243 HydrophobicContact CB-CD1 4.33Å; M238-L243 HydrophobicContact SD-CD1 3.92Å
239D61.9Low71.9Confident86 Ų8695.6 Ų95.646%0.4654%0.539SS..  trans-31.7115.4178.3-119.6-46.1000108.7E237 I241 L242 L243E237-D239 PolarHBondContact O-N 2.86Å; D239-I241 CarbonylContact O-C 3.51Å; D239-I241 PolarHBondContact O-N 2.6Å; D239-L242 HydrophobicContact CB-CB 3.52Å; D239-L242 CarbonylContact O-C 3.59Å; D239-L242 WeakPolarHBondContact O-CA 3.47Å; D239-L242 WeakPolarHBondContact O-CB 3.5Å; D239-L242 PolarHBondContact O-N 2.92Å; D239-L243 PolarHBondContact O-N 2.83Å
240P69.1Low72.1Confident86 Ų86100.8 Ų100.856%0.55856%0.557SS**Hα-helixtrans-59.4-24.7-175.721.1-31.3000110.5T244P240-T244 WeakPolarHBondContact O-CB 3.17Å; P240-T244 VanDerWaalsContact O-CG2 3.26Å; P240-T244 WeakPolarHBondContact O-CG2 3.44Å; P240-T244 PolarHBondContact O-N 3.06Å; P240-T244 PolarHBondContact O-OG1 3.36Å
241I74.9Confident72.5Confident111 Ų111100.7 Ų100.757%0.56956%0.555SS**Hα-helixtrans-63.3-51.4167.2-58.9171.8000111.7D239 T244 I245D239-I241 CarbonylContact O-C 3.51Å; D239-I241 PolarHBondContact O-N 2.6Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 3.17Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; I241-I245 HydrophobicContact CG2-CD1 3.73Å; I241-I245 VanDerWaalsContact O-CB 3.3Å; I241-I245 WeakPolarHBondContact O-CB 3.42Å; I241-I245 WeakPolarHBondContact O-CD1 3.4Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.04Å
242L79.3Confident73.6Confident110 Ų110100.8 Ų100.858%0.57656%0.561SS**Hα-helixtrans-64.5-41.6178.4-176.461.1000112.2D239 I245 S246D239-L242 HydrophobicContact CB-CB 3.52Å; D239-L242 CarbonylContact O-C 3.59Å; D239-L242 WeakPolarHBondContact O-CA 3.47Å; D239-L242 WeakPolarHBondContact O-CB 3.5Å; D239-L242 PolarHBondContact O-N 2.92Å; L242-I245 PolarHBondContact O-N 3.48Å; L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.36Å
243L82.6Confident75.5Confident78 Ų7898.3 Ų98.341%0.40855%0.551SS.*Hα-helixtrans-66.5-43.4177.5-171.9124.1000111.3M238 D239 S246 I247M238-L243 HydrophobicContact CB-CD1 4.33Å; M238-L243 HydrophobicContact SD-CD1 3.92Å; D239-L243 PolarHBondContact O-N 2.83Å; L243-S246 PolarHBondContact O-N 3.49Å; L243-I247 HydrophobicContact CD2-CD1 3.66Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 WeakPolarHBondContact O-CD1 3.43Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.95Å
244T84.9Confident77.5Confident83 Ų8394.2 Ų94.251%0.50953%0.534SS..Hα-helixtrans-68.4-36174.351.30000112.9P240 I241 I247 L248P240-T244 WeakPolarHBondContact O-CB 3.17Å; P240-T244 VanDerWaalsContact O-CG2 3.26Å; P240-T244 WeakPolarHBondContact O-CG2 3.44Å; P240-T244 PolarHBondContact O-N 3.06Å; P240-T244 PolarHBondContact O-OG1 3.36Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 3.17Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; T244-I247 PolarHBondContact O-N 2.96Å; T244-L248 WeakPolarHBondContact O-CB 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å
245I87.6Confident79.8Confident99 Ų9995.8 Ų95.851%0.50854%0.536SS..Hα-helixtrans-61.5-44.5171.2-74.3167000110.9I241 L242 L248 S249I241-I245 HydrophobicContact CG2-CD1 3.73Å; I241-I245 VanDerWaalsContact O-CB 3.3Å; I241-I245 WeakPolarHBondContact O-CB 3.42Å; I241-I245 WeakPolarHBondContact O-CD1 3.4Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.04Å; L242-I245 PolarHBondContact O-N 3.48Å; I245-L248 PolarHBondContact O-N 3.26Å; I245-S249 WeakPolarHBondContact O-CB 3.35Å; I245-S249 PolarHBondContact O-N 2.81Å
246S89.9Confident82.3Confident76 Ų7695.7 Ų95.753%0.53153%0.529SS..Hα-helixtrans-60.7-48.3177.8-174.50000111.5L242 L243 S249 F250L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.36Å; L243-S246 PolarHBondContact O-N 3.49Å; S246-S249 PolarHBondContact O-N 3.21Å; S246-F250 PolarHBondContact O-N 2.96Å
247I91.9Very high84.4Confident80 Ų8097.4 Ų97.441%0.4153%0.529SS..Hα-helixtrans-63-45.9177.3-69.4165.7000111.4L243 T244 S249 F250 F251L243-I247 HydrophobicContact CD2-CD1 3.66Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 WeakPolarHBondContact O-CD1 3.43Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.95Å; T244-I247 PolarHBondContact O-N 2.96Å; I247-S249 PolarHBondContact O-N 3.37Å; I247-F250 PolarHBondContact O-N 3.45Å; I247-F251 HydrophobicContact CG2-CD2 3.7Å; I247-F251 HydrophobicContact CG2-CE2 3.49Å; I247-F251 VanDerWaalsContact CG2-CE2 3.49Å; I247-F251 WeakPolarHBondContact O-CD2 3.46Å; I247-F251 PolarHBondContact O-N 2.81Å
248L93.8Very high86.3Confident125 Ų12594 Ų9465%0.65452%0.516SS*.Hα-helixtrans-65.4-38.6179.1-177.761.8000112T244 I245 F251 S252T244-L248 WeakPolarHBondContact O-CB 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å; I245-L248 PolarHBondContact O-N 3.26Å; L248-F251 PolarHBondContact O-N 3.48Å; L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.33Å
249S93.4Very high87.9Confident68 Ų6893 Ų9348%0.47651%0.512SS..Hα-helixtrans-61.8-47.5173.6-175.90000111.1I245 S246 I247 F251 S252 V253I245-S249 WeakPolarHBondContact O-CB 3.35Å; I245-S249 PolarHBondContact O-N 2.81Å; S246-S249 PolarHBondContact O-N 3.21Å; I247-S249 PolarHBondContact O-N 3.37Å; S249-F251 PolarHBondContact O-N 2.84Å; S249-S252 WeakPolarHBondContact O-CB 3.22Å; S249-S252 PolarHBondContact O-N 3.37Å; S249-V253 WeakPolarHBondContact O-CG2 3.34Å; S249-V253 PolarHBondContact O-N 2.87Å
250F94.8Very high89.2Confident148 Ų14891.1 Ų91.165%0.64951%0.509SS*.Hα-helixtrans-59-46.3176.4-178.2-99.2000112.3S246 I247 S252 V253 A254S246-F250 PolarHBondContact O-N 2.96Å; I247-F250 PolarHBondContact O-N 3.45Å; F250-S252 PolarHBondContact O-N 2.93Å; F250-V253 PolarHBondContact O-N 3.39Å; F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.34Å
251F94.3Very high90Very high123 Ų12391 Ų9154%0.53951%0.508SS..Hα-helixtrans-63.6-38.8175-76.9-58.5000112.7I247 L248 S249 A254 L255I247-F251 HydrophobicContact CG2-CD2 3.7Å; I247-F251 HydrophobicContact CG2-CE2 3.49Å; I247-F251 VanDerWaalsContact CG2-CE2 3.49Å; I247-F251 WeakPolarHBondContact O-CD2 3.46Å; I247-F251 PolarHBondContact O-N 2.81Å; L248-F251 PolarHBondContact O-N 3.48Å; S249-F251 PolarHBondContact O-N 2.84Å; F251-A254 PolarHBondContact O-N 3.4Å; F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.43Å; F251-L255 PolarHBondContact O-N 2.93Å
252S94.1Very high90.6Very high62 Ų6288.5 Ų88.543%0.43450%0.499SS..Hα-helixtrans-61.3-48.4175.7-173.60000111.7L248 S249 F250 A254 L255 L256L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.33Å; S249-S252 WeakPolarHBondContact O-CB 3.22Å; S249-S252 PolarHBondContact O-N 3.37Å; F250-S252 PolarHBondContact O-N 2.93Å; S252-A254 PolarHBondContact O-N 3.31Å; S252-L255 PolarHBondContact O-N 3.46Å; S252-L256 WeakPolarHBondContact O-CG 3.27Å; S252-L256 PolarHBondContact O-N 3.32Å
253V95.5Very high90.7Very high82 Ų8288 Ų8850%0.49750%0.496SS..Hα-helixtrans-62.3-43.4176.2174.20000111.2S249 F250 L255 L256 V257S249-V253 WeakPolarHBondContact O-CG2 3.34Å; S249-V253 PolarHBondContact O-N 2.87Å; F250-V253 PolarHBondContact O-N 3.39Å; V253-L255 PolarHBondContact O-N 3.41Å; V253-L256 PolarHBondContact O-N 2.95Å; V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 3.45Å
254A94.1Very high90.4Very high35 Ų3592.3 Ų92.329%0.28951%0.507SS..Hα-helixtrans-60.6-43176.300000112.2F250 F251 S252 V257 I258F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.34Å; F251-A254 PolarHBondContact O-N 3.4Å; S252-A254 PolarHBondContact O-N 3.31Å; A254-V257 PolarHBondContact O-N 2.91Å; A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.36Å; A254-I258 PolarHBondContact O-N 3.17Å
255L94.6Very high90.1Very high107 Ų10796.3 Ų96.356%0.5652%0.517SS*.Hα-helixtrans-63.1-41.5175.2-73.9168.3000112F251 S252 V253 I258 L259F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.43Å; F251-L255 PolarHBondContact O-N 2.93Å; S252-L255 PolarHBondContact O-N 3.46Å; V253-L255 PolarHBondContact O-N 3.41Å; L255-I258 PolarHBondContact O-N 3.45Å; L255-L259 WeakPolarHBondContact O-CB 3.38Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å
256L93.5Very high89.5Confident108 Ų10899 Ų9957%0.56553%0.525SS*.Hα-helixtrans-63.1-41175.4-71.2171.3000112.1S252 V253 L259 A260S252-L256 WeakPolarHBondContact O-CG 3.27Å; S252-L256 PolarHBondContact O-N 3.32Å; V253-L256 PolarHBondContact O-N 2.95Å; L256-L259 PolarHBondContact O-N 3.24Å; L256-A260 WeakPolarHBondContact O-CB 3.43Å; L256-A260 PolarHBondContact O-N 3.32Å
257V93.9Very high88.6Confident85 Ų85104 Ų10452%0.51553%0.533SS..Hα-helixtrans-64.9-42.9174.4171.70000111.3V253 A254 A260 C261V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 3.45Å; A254-V257 PolarHBondContact O-N 2.91Å; V257-A260 PolarHBondContact O-N 3.4Å; V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.9Å; V257-C261 PolarHBondContact O-SG 3.42Å; V257-C261 VanDerWaalsContact O-SG 3.39Å
258I91.6Very high87.4Confident101 Ų101103.5 Ų103.552%0.51853%0.53SS..Hα-helixtrans-62.4-44.1175.7-68.3163.8000110.8A254 L255 C261 V262A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.36Å; A254-I258 PolarHBondContact O-N 3.17Å; L255-I258 PolarHBondContact O-N 3.45Å; I258-C261 PolarHBondContact O-N 3.17Å; I258-V262 HydrophobicContact CG2-CG2 4.48Å; I258-V262 WeakPolarHBondContact O-CB 3.16Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.73Å
259L90.5Very high86Confident100 Ų100104.1 Ų104.152%0.52453%0.527SS..Hα-helixtrans-60.3-45.9175.1-78.4162.6000111.5L255 L256 C261 V262 L263L255-L259 WeakPolarHBondContact O-CB 3.38Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å; L256-L259 PolarHBondContact O-N 3.24Å; L259-C261 PolarHBondContact O-N 3.3Å; L259-V262 PolarHBondContact O-N 2.87Å; L259-L263 WeakPolarHBondContact O-CB 3.15Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.18Å
260A88.3Confident84.6Confident47 Ų47104.4 Ų104.439%0.38853%0.527SS..Hα-helixtrans-58.9-46.5175.500000111.7L256 V257 V262 L263 W264L256-A260 WeakPolarHBondContact O-CB 3.43Å; L256-A260 PolarHBondContact O-N 3.32Å; V257-A260 PolarHBondContact O-N 3.4Å; A260-V262 PolarHBondContact O-N 2.84Å; A260-L263 PolarHBondContact O-N 2.98Å; A260-W264 WeakPolarHBondContact O-CB 3.39Å; A260-W264 PolarHBondContact O-N 3.24Å
261C86.7Confident83.2Confident82 Ų82103.7 Ų103.755%0.55453%0.529SS*.Hα-helixtrans-62-39.7175.8-75.10000113.1V257 I258 L259 K265V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.9Å; V257-C261 PolarHBondContact O-SG 3.42Å; V257-C261 VanDerWaalsContact O-SG 3.39Å; I258-C261 PolarHBondContact O-N 3.17Å; L259-C261 PolarHBondContact O-N 3.3Å; C261-K265 WeakPolarHBondContact O-CB 3.34Å; C261-K265 PolarHBondContact O-N 2.88Å
262V86.3Confident81.8Confident60 Ų60103 Ų10336%0.36453%0.534SS..Hα-helixtrans-69.1-40.1176.3169.60000111.5I258 L259 A260 K265 K266I258-V262 HydrophobicContact CG2-CG2 4.48Å; I258-V262 WeakPolarHBondContact O-CB 3.16Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.73Å; L259-V262 PolarHBondContact O-N 2.87Å; A260-V262 PolarHBondContact O-N 2.84Å; V262-K265 PolarHBondContact O-N 3.44Å; V262-K266 HydrophobicContact CG1-CD 3.86Å; V262-K266 HydrophobicContact CG1-CG 4.4Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 WeakPolarHBondContact O-CG 3.32Å; V262-K266 PolarHBondContact O-N 3.08Å
263L82Confident80.2Confident99 Ų99108.3 Ų108.352%0.51855%0.545SS..Hα-helixtrans-67.1-40.7174.8-71.3169.1000111.5L259 A260 K265 K266 R267 I268L259-L263 WeakPolarHBondContact O-CB 3.15Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.18Å; A260-L263 PolarHBondContact O-N 2.98Å; L263-K265 PolarHBondContact O-N 3.08Å; L263-K266 PolarHBondContact O-N 3.19Å; L263-R267 WeakPolarHBondContact O-CB 3.33Å; L263-R267 PolarHBondContact O-N 3.08Å; L263-I268 PolarHBondContact O-N 3.44Å
264W76.5Confident78.6Confident169 Ų169108.7 Ų108.764%0.6455%0.549SS*.Iπ-helixtrans-55.4-51169.9-97.567.8000111.3A260 K266 I268 K269A260-W264 WeakPolarHBondContact O-CB 3.39Å; A260-W264 PolarHBondContact O-N 3.24Å; W264-K266 PolarHBondContact O-N 3.47Å; W264-I268 HydrophobicContact CD2-CD1 4.39Å; W264-I268 HydrophobicContact CG-CD1 4.08Å; W264-I268 PolarHBondContact O-N 3.25Å; W264-K269 WeakPolarHBondContact O-CB 3.43Å; W264-K269 PolarHBondContact O-N 2.86Å
265K78.6Confident76.9Confident167 Ų167112.4 Ų112.473%0.72657%0.573SS**Iπ-helixtrans-65.3-34.8-179.7-172.6173.2179.3177.10113.5C261 V262 L263C261-K265 WeakPolarHBondContact O-CB 3.34Å; C261-K265 PolarHBondContact O-N 2.88Å; V262-K265 PolarHBondContact O-N 3.44Å; L263-K265 PolarHBondContact O-N 3.08Å
266K75.4Confident75.2Confident156 Ų156113.6 Ų113.668%0.67858%0.579SS**Iπ-helixtrans-92.8-30.1-175.2-72.8-178177.4179.50115.3V262 L263 W264V262-K266 HydrophobicContact CG1-CD 3.86Å; V262-K266 HydrophobicContact CG1-CG 4.4Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 WeakPolarHBondContact O-CG 3.32Å; V262-K266 PolarHBondContact O-N 3.08Å; L263-K266 PolarHBondContact O-N 3.19Å; W264-K266 PolarHBondContact O-N 3.47Å
267R70.9Confident73.5Confident181 Ų181113.4 Ų113.468%0.68358%0.584SS**Iπ-helixtrans-115.9-54.1-174.5-66.5-66.8-159.2169.35.9112.5L263 P270 I271L263-R267 WeakPolarHBondContact O-CB 3.33Å; L263-R267 PolarHBondContact O-N 3.08Å; R267-P270 WeakPolarHBondContact O-CD 3.27Å; R267-P270 WeakPolarHBondContact O-CG 3.5Å; R267-I271 VanDerWaalsContact O-CD1 3.31Å; R267-I271 WeakPolarHBondContact O-CD1 3.37Å; R267-I271 VanDerWaalsContact O-CG1 3.3Å; R267-I271 WeakPolarHBondContact O-CG1 3.26Å
268I66.7Low71.8Confident68 Ų68113 Ų11335%0.34958%0.579SS.*Iπ-helixtrans-77.3-47.2-169.2-60.5172.1000111.2L263 W264 I271 V272L263-I268 PolarHBondContact O-N 3.44Å; W264-I268 HydrophobicContact CD2-CD1 4.39Å; W264-I268 HydrophobicContact CG-CD1 4.08Å; W264-I268 PolarHBondContact O-N 3.25Å; I268-I271 PolarHBondContact O-N 2.98Å; I268-V272 HydrophobicContact CG2-CG2 3.71Å; I268-V272 PolarHBondContact O-N 3.02Å
269K65.1Low70.1Confident138 Ų138114.8 Ų114.860%0.659%0.585SS**Hα-helixtrans-52.2-50.3-179.7-175.5167.8-177.1169.30113.9W264 I271 W273W264-K269 WeakPolarHBondContact O-CB 3.43Å; W264-K269 PolarHBondContact O-N 2.86Å; K269-I271 VanDerWaalsContact C-N 3.27Å; K269-I271 PolarHBondContact O-N 3.03Å; K269-W273 CarbonylContact O-C 3.6Å; K269-W273 WeakPolarHBondContact O-CA 3.22Å; K269-W273 PolarHBondContact O-N 2.72Å; K269-W273 VanDerWaalsContact O-O 3.07Å
270P64.2Low68.5Low74 Ų74116.2 Ų116.248%0.48159%0.587SS.*Hα-helixtrans-72.2-14.3179.228.8-36.4000114.8R267R267-P270 WeakPolarHBondContact O-CD 3.27Å; R267-P270 WeakPolarHBondContact O-CG 3.5Å
271I65.5Low67.1Low134 Ų134120.9 Ų120.969%0.68760%0.599SS**Hα-helixtrans-89-46.4176.8-68.4174000110.8R267 I268 K269R267-I271 VanDerWaalsContact O-CD1 3.31Å; R267-I271 WeakPolarHBondContact O-CD1 3.37Å; R267-I271 VanDerWaalsContact O-CG1 3.3Å; R267-I271 WeakPolarHBondContact O-CG1 3.26Å; I268-I271 PolarHBondContact O-N 2.98Å; K269-I271 VanDerWaalsContact C-N 3.27Å; K269-I271 PolarHBondContact O-N 3.03Å
272V64.6Low65.7Low107 Ų107120.2 Ų120.265%0.64859%0.592SS**Hα-helixtrans-80.7-31.6-178.2179.10000111.8I268I268-V272 HydrophobicContact CG2-CG2 3.71Å; I268-V272 PolarHBondContact O-N 3.02Å
273W60.3Low64.4Low175 Ų175122.1 Ų122.166%0.66360%0.6SS**SBendtrans-128.281176.7-156.8-78.8000109.7K269 S275 L276K269-W273 CarbonylContact O-C 3.6Å; K269-W273 WeakPolarHBondContact O-CA 3.22Å; K269-W273 PolarHBondContact O-N 2.72Å; K269-W273 VanDerWaalsContact O-O 3.07Å; W273-S275 PolarHBondContact O-N 3.38Å; W273-L276 HydrophobicContact CZ2-CD1 4.36Å
274P60.7Low63.3Low90 Ų90122.9 Ų122.958%0.58460%0.601SS**  trans-53.3137.6172.124-34.1000109.2L276P274-L276 PolarHBondContact O-N 3.09Å
275S59.9Low62.4Low112 Ų112121.8 Ų121.878%0.78360%0.602SS**  trans-64.6101.6-178.653.80000109.6W273W273-S275 PolarHBondContact O-N 3.38Å
276L57.9Low61.4Low133 Ų133120.2 Ų120.270%0.69660%0.601SS**  trans-43.2126.4173-80.7146.5000109.1W273 P274 D278W273-L276 HydrophobicContact CZ2-CD1 4.36Å; P274-L276 PolarHBondContact O-N 3.09Å; L276-D278 PolarHBondContact O-N 2.91Å
277P57.3Low60.5Low103 Ų103117.4 Ų117.467%0.66960%0.6SS**  trans-52.9132.5-178.7-27.234.7000110.2H279P277-H279 PolarHBondContact O-N 3.38Å
278D58.8Low59.6Low77 Ų77116.1 Ų116.141%0.41260%0.6SS.*  trans-58.3109.4-179.1177.711000109.5L276 K280 K281 T282L276-D278 PolarHBondContact O-N 2.91Å; D278-K280 PolarHBondContact O-N 3.5Å; D278-K280 WeakPolarHBondContact OD1-CB 3.5Å; D278-K280 PolarHBondContact OD1-N 2.83Å; D278-K280 VanDerWaalsContact OD1-N 3.08Å; D278-K281 PolarHBondContact O-N 2.88Å; D278-T282 PolarHBondContact O-N 3.43Å; D278-T282 VanDerWaalsContact O-N 3.08Å; D278-T282 PolarHBondContact O-OG1 2.89Å
279H55.4Low58.7Low138 Ų138121.3 Ų121.364%0.63962%0.62SS**Hα-helixtrans-46.7-35.2179.464.3-39.1000112.6P277 T282 L283P277-H279 PolarHBondContact O-N 3.38Å; H279-T282 PolarHBondContact O-N 2.77Å; H279-L283 WeakPolarHBondContact O-CB 3.47Å; H279-L283 PolarHBondContact O-N 3.08Å
280K57Low57.8Low131 Ų131119.7 Ų119.757%0.5762%0.623SS**Hα-helixtrans-66.9-45.1179.8-166172.5-177.7177.30112.2D278 L283 E284D278-K280 PolarHBondContact O-N 3.5Å; D278-K280 WeakPolarHBondContact OD1-CB 3.5Å; D278-K280 PolarHBondContact OD1-N 2.83Å; D278-K280 VanDerWaalsContact OD1-N 3.08Å; K280-L283 PolarHBondContact O-N 3.03Å; K280-E284 WeakPolarHBondContact O-CB 3.29Å; K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 2.96Å
281K60.3Low56.8Low145 Ų145127.6 Ų127.663%0.6364%0.643SS**Hα-helixtrans-69.8-34.7176-69.3-174.1178-178.60112.5D278 E284 H285D278-K281 PolarHBondContact O-N 2.88Å; K281-E284 PolarHBondContact O-N 3.28Å; K281-H285 PolarHBondContact O-N 3.29Å; K281-H285 VanDerWaalsContact O-N 3.08Å
282T57.5Low56Low68 Ų68130.3 Ų130.342%0.41765%0.65SS.*Hα-helixtrans-67.5-43.2176-50.70000110.8D278 H279 H285 L286D278-T282 PolarHBondContact O-N 3.43Å; D278-T282 VanDerWaalsContact O-N 3.08Å; D278-T282 PolarHBondContact O-OG1 2.89Å; H279-T282 PolarHBondContact O-N 2.77Å; T282-H285 PolarHBondContact O-N 3.48Å; T282-L286 HydrophobicContact CG2-CD1 4.33Å; T282-L286 PolarHBondContact O-N 3.43Å; T282-L286 VanDerWaalsContact O-N 3.08Å
283L57.3Low55.2Low100 Ų100132.7 Ų132.752%0.52466%0.66SS.*Hα-helixtrans-64.4-41.3172-86162.7000112.6H279 K280 H285 L286 C287H279-L283 WeakPolarHBondContact O-CB 3.47Å; H279-L283 PolarHBondContact O-N 3.08Å; K280-L283 PolarHBondContact O-N 3.03Å; L283-H285 PolarHBondContact O-N 2.83Å; L283-L286 PolarHBondContact O-N 3.43Å; L283-C287 VanDerWaalsContact O-CB 3.22Å; L283-C287 WeakPolarHBondContact O-CB 3.26Å; L283-C287 PolarHBondContact O-N 2.84Å; L283-C287 PolarHBondContact O-SG 2.77Å
284E59.6Low54.5Low115 Ų115131.5 Ų131.554%0.53767%0.665SS.*Hα-helixtrans-60.3-28.6173.1-78.2171.8-169.200112.8K280 K281 K288K280-E284 WeakPolarHBondContact O-CB 3.29Å; K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 2.96Å; K281-E284 PolarHBondContact O-N 3.28Å; E284-K288 WeakPolarHBondContact O-CG 3.32Å
285H57.5Low53.7Low145 Ų145135.1 Ų135.167%0.67168%0.68SS**Hα-helixtrans-82.8-26.1176.9-144.5-60.6000113.8K281 T282 L283K281-H285 PolarHBondContact O-N 3.29Å; K281-H285 VanDerWaalsContact O-N 3.08Å; T282-H285 PolarHBondContact O-N 3.48Å; L283-H285 PolarHBondContact O-N 2.83Å
286L57.6Low53Low134 Ų134134.9 Ų134.970%0.70267%0.673SS**Hα-helixtrans-86.9-36.7174.9-74.7164.7000112.8T282 L283 K288T282-L286 HydrophobicContact CG2-CD1 4.33Å; T282-L286 PolarHBondContact O-N 3.43Å; T282-L286 VanDerWaalsContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 3.43Å; L286-K288 PolarHBondContact O-N 3.08Å
287C56.8Low52.4Low98 Ų98133.5 Ų133.566%0.66268%0.675SS**SBendtrans-76.60.1176.6-68.70000113.5L283 K289L283-C287 VanDerWaalsContact O-CB 3.22Å; L283-C287 WeakPolarHBondContact O-CB 3.26Å; L283-C287 PolarHBondContact O-N 2.84Å; L283-C287 PolarHBondContact O-SG 2.77Å; C287-K289 PolarHBondContact O-N 3.45Å
288K52.4Low51.8Low153 Ų153136.8 Ų136.867%0.66568%0.679SS**SBendtrans-68.982.2164-88.8175.8-179.1174.30110.1E284 L286E284-K288 WeakPolarHBondContact O-CG 3.32Å; L286-K288 PolarHBondContact O-N 3.08Å
289K46.8Very low51Low177 Ų177137.4 Ų137.477%0.7768%0.682SS**  trans-12.5114.1171.3-168.6175-166.6165.60113.6C287C287-K289 PolarHBondContact O-N 3.45Å
290P47Very low50.9Low104 Ų104135.5 Ų135.568%0.67568%0.682SS**  trans-58.3143.4178.924.2-33.5000110.5K292P290-K292 PolarHBondContact O-N 3Å
291R42.4Very low50.6Low240 Ų240135.5 Ų135.591%0.90668%0.684SS**  trans-58.7133.8172.5-83.3-176.9168.1178.5-3.7108.8N293R291-N293 PolarHBondContact O-N 2.92Å
292K49Very low50.3Low192 Ų192132.7 Ų132.784%0.83568%0.683SS**SBendtrans-6494.5176.3-70.2-175.7174.8-172.60110P290P290-K292 PolarHBondContact O-N 3Å
293N48.1Very low50Low157 Ų157136.6 Ų136.684%0.8469%0.694SS**  trans165.581.1146.5-84.5-16000109.1R291R291-N293 PolarHBondContact O-N 2.92Å
294L45.4Very low49.8Very low150 Ų150138 Ų13879%0.78570%0.701SS**  trans-110106.6155.8-73.6175.2000106.4V296L294-V296 PolarHBondContact O-N 2.85Å; L294-V296 VanDerWaalsContact O-N 3.14Å
295N43Very low49.2Very low166 Ų166140.5 Ų140.589%0.88872%0.718SS**  trans-82.391.3-176.6-157.530.2000108.1S297N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact O-N 3.26Å
296V45.6Very low48.7Very low106 Ų106138.3 Ų138.364%0.64272%0.719SS**  trans-7485-174.1-173.70000110L294 F298L294-V296 PolarHBondContact O-N 2.85Å; L294-V296 VanDerWaalsContact O-N 3.14Å; V296-F298 HydrophobicContact CG1-CD2 3.81Å; V296-F298 HydrophobicContact CG1-CE2 3.59Å; V296-F298 HydrophobicContact CG1-CZ 4.31Å; V296-F298 PolarHBondContact O-N 2.9Å
297S46.6Very low48.3Very low105 Ų105141 Ų14173%0.73473%0.728SS**  trans-78.3102.2168.2-173.30000108.9N295 N299N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact O-N 3.26Å; S297-N299 PolarHBondContact O-N 2.86Å; S297-N299 VanDerWaalsContact O-N 3.14Å
298F43.9Very low48Very low171 Ų171143.7 Ų143.775%0.7573%0.734SS**  trans-70.3102.5167.9-83.3-90.1000109V296V296-F298 HydrophobicContact CG1-CD2 3.81Å; V296-F298 HydrophobicContact CG1-CE2 3.59Å; V296-F298 HydrophobicContact CG1-CZ 4.31Å; V296-F298 PolarHBondContact O-N 2.9Å
299N42.8Very low47.7Very low91 Ų91144.2 Ų144.249%0.48774%0.738SS.*  trans-92.6110.5167.4-176.111.8000108.8S297 E301 S302S297-N299 PolarHBondContact O-N 2.86Å; S297-N299 VanDerWaalsContact O-N 3.14Å; N299-E301 PolarHBondContact O-N 3.33Å; N299-E301 PolarHBondContact OD1-N 2.93Å; N299-S302 PolarHBondContact O-N 3.48Å; N299-S302 PolarHBondContact O-OG 3.47Å
300P51.5Low47.8Very low98 Ų98144.6 Ų144.664%0.63674%0.735SS**G310 helixtrans-65.3-22.1-175.926.5-34.5000113.5S302P300-S302 PolarHBondContact O-N 2.9Å
301E52.4Low48Very low130 Ų130144.3 Ų144.361%0.60773%0.731SS**G310 helixtrans-65.6-16.6178.7-61.5-62.5134.300113.6N299 F303N299-E301 PolarHBondContact O-N 3.33Å; N299-E301 PolarHBondContact OD1-N 2.93Å; E301-F303 PolarHBondContact O-N 2.91Å
302S53.8Low48.3Very low86 Ų86136.8 Ų136.860%0.60171%0.709SS**G310 helixtrans-8211.2-178.877.70000114.9N299 P300N299-S302 PolarHBondContact O-N 3.48Å; N299-S302 PolarHBondContact O-OG 3.47Å; P300-S302 PolarHBondContact O-N 2.9Å
303F50.2Low48.4Very low150 Ų150135 Ų13566%0.65871%0.708SS**G310 helixtrans-114.28.8-179-71.6-81.9000113.9E301 D305E301-F303 PolarHBondContact O-N 2.91Å; F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 3.5Å
304L52.9Low48.3Very low129 Ų129134.9 Ų134.968%0.67571%0.706SS**THydrogen-bonded Turntrans-73.9-17.6-179.7-77.7163.6000114.7C306L304-C306 VanDerWaalsContact C-N 3.28Å; L304-C306 PolarHBondContact O-N 3Å
305D48.6Very low48.1Very low168 Ų168135.5 Ų135.590%0.89871%0.705SS**THydrogen-bonded Turntrans-81.96.8-176-85.4-22.6000115.2F303F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 3.5Å
306C45.3Very low48.4Very low100 Ų100132 Ų13268%0.67670%0.698SS**  trans-101.890.4171-79.10000111.1L304 I308L304-C306 VanDerWaalsContact C-N 3.28Å; L304-C306 PolarHBondContact O-N 3Å; C306-I308 VanDerWaalsContact C-N 3.28Å; C306-I308 HydrophobicContact CB-CG1 4.48Å; C306-I308 PolarHBondContact O-N 3.48Å
307Q49.2Very low48.2Very low191 Ų191136.5 Ų136.589%0.89370%0.704SS**  trans-65.792.1159.1-72.9-170.16.100109.1H309Q307-H309 VanDerWaalsContact C-N 3.3Å; Q307-H309 PolarHBondContact O-N 2.85Å
308I52.3Low48.1Very low153 Ų153138.4 Ų138.479%0.78571%0.706SS**  trans-69.491.8171.8-59175.1000107.4C306 R310C306-I308 VanDerWaalsContact C-N 3.28Å; C306-I308 HydrophobicContact CB-CG1 4.48Å; C306-I308 PolarHBondContact O-N 3.48Å; I308-R310 PolarHBondContact O-N 3.36Å
309H46.1Very low47.8Very low164 Ų164138 Ų13876%0.75971%0.706SS**  trans-68.1101.4173.7-166.876.2000108.5Q307 V311Q307-H309 VanDerWaalsContact C-N 3.3Å; Q307-H309 PolarHBondContact O-N 2.85Å; H309-V311 PolarHBondContact O-N 3Å
310R47.2Very low47.5Very low186 Ų186140 Ų14070%0.70272%0.722SS**  trans-70.392.5178.7-178.5177.3171.2-159.7-17109.2I308 D312I308-R310 PolarHBondContact O-N 3.36Å; R310-D312 VanDerWaalsContact C-N 3.25Å; R310-D312 IonicContact CZ-OD1 3.22Å; R310-D312 IonicContact CZ-OD2 2.63Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.99Å; R310-D312 IonicContact NE-OD2 2.65Å; R310-D312 PolarHBondContact NE-OD2 2.79Å; R310-D312 IonicContact NH1-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.76Å; R310-D312 PolarHBondContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.89Å; R310-D312 PolarHBondContact NH2-OD2 3.06Å; R310-D312 PolarHBondContact O-N 2.87Å
311V51.2Low47.1Very low98 Ų98144.4 Ų144.459%0.59473%0.734SS**  trans-74.186.8162.6-175.70000107.3H309 I314H309-V311 PolarHBondContact O-N 3Å; V311-I314 HydrophobicContact CG1-CG1 4.33Å
312D49.2Very low46Very low81 Ų81141.8 Ų141.843%0.43374%0.742SS.*  trans-64.6163.8151.3-68.6-49.4000109.1R310R310-D312 VanDerWaalsContact C-N 3.25Å; R310-D312 IonicContact CZ-OD1 3.22Å; R310-D312 IonicContact CZ-OD2 2.63Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.99Å; R310-D312 IonicContact NE-OD2 2.65Å; R310-D312 PolarHBondContact NE-OD2 2.79Å; R310-D312 IonicContact NH1-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.76Å; R310-D312 PolarHBondContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.89Å; R310-D312 PolarHBondContact NH2-OD2 3.06Å; R310-D312 PolarHBondContact O-N 2.87Å
313D50.6Low44.7Very low154 Ų154146.7 Ų146.782%0.82475%0.753SS**  trans62.852.8171.3-54.4-25.9000117.3
314I46.4Very low43.8Very low155 Ų155145.7 Ų145.780%0.79575%0.754SS**  trans-94.184.4137.1-56.9-176.8000107.5V311 A316V311-I314 HydrophobicContact CG1-CG1 4.33Å; I314-A316 PolarHBondContact O-N 2.62Å
315Q41.1Very low42.8Very low164 Ų164146.9 Ų146.977%0.76676%0.756SS**  trans-66.7111.3177.9-179.2179.9-500110.3
316A49.4Very low41.7Very low91 Ų91144.4 Ų144.475%0.75274%0.743SS**  trans-73.4127.117100000110.8I314I314-A316 PolarHBondContact O-N 2.62Å
317R40.6Very low40.7Very low201 Ų201147.1 Ų147.176%0.75875%0.747SS**  trans-159.9128.6153.4-116.5172.2-172.4-81.4-3.6111.1
318D44.9Very low40Very low146 Ų146147.4 Ų147.478%0.78175%0.746SS**  trans-64151.2159.2-45.1-93.7000109.9
319E38.9Very low39.4Very low161 Ų161144.8 Ų144.875%0.75274%0.738SS**  176.4135.5116.6-96169-175.300113.1
320V35.1Very low38.3Very low135 Ų135144.5 Ų144.582%0.81874%0.738SS**  trans65.8136.7141.5178.80000120.8
321E43.5Very low37.2Very low189 Ų189142.7 Ų142.788%0.88374%0.737SS**  trans-61.8133.1172.2-68.4158.910200113.1
322G29.8Very low36Very low75 Ų75143.7 Ų143.777%0.77374%0.739SS**  trans-145.8118.7-17700000113.6
323F26.1Very low35Very low190 Ų190148 Ų14883%0.83376%0.756SS**  trans-57144.4-174.4-82.5-115.3000117.1
324L32.3Very low34.1Very low129 Ų129146.4 Ų146.468%0.67574%0.743SS**  trans61.3127.7139.8-62.8172.9000122.4
325Q30.1Very low33Very low154 Ų154144.6 Ų144.672%0.7275%0.745SS**  trans68.4163.7138.9-65.6174.2-90.700116.8
326D26.6Very low32.5Very low116 Ų116143.7 Ų143.762%0.6274%0.738SS**  cis-153.3179.217.1-149.7-4.5000114.4
327M24.2Very low31.8Very low157 Ų157147.4 Ų147.477%0.77374%0.737SS**  trans62.2100.4151.7-78.5179.3-76.700121.8
328F34.4Very low31.2Very low197 Ų197144.4 Ų144.486%0.86473%0.732SS**  -49.8161.4126.2-94.5-78.7000111.4
329P39.4Very low30.3Very low97 Ų97147.4 Ų147.463%0.6373%0.732SS**  -159.4-170.357.145.5-23.5000119.2
330Q23.9Very low29.6Very low159 Ų159146 Ų14674%0.74373%0.73SS**  trans72.7147.6157-75.6177.9-78.500118.3
331Q24.3Very low29.2Very low148 Ų148143.3 Ų143.369%0.69273%0.728SS**  cis-170.5-178.4-17.5-126.8179.7-32.400108
332L25.4Very low28.4Very low119 Ų119137.6 Ų137.662%0.62372%0.721SS**  cis-161.3120.9-2.9166.262.7000109.6
333E28.8Very low28.3Very low171 Ų171141.6 Ų141.680%0.79972%0.724SS**  trans47.4174.5154.9-77.2-165.5149.400121
334E30.2Very low28.6Very low120 Ų120137.6 Ų137.656%0.56172%0.715SS**  cis-142.2147.8-0.1-151.2-157.6144.500111.5K336E334-K336 IonicContact OE1-NZ 3.99Å; E334-K336 PolarHBondContact OE1-NZ 3.05Å; E334-K336 IonicContact OE2-NZ 2.73Å
335S24.3Very low28.2Very low117 Ų117139.6 Ų139.682%0.81872%0.721SS**  trans-162.4124.9137-166.40000113.1
336K30.6Very low28.2Very low146 Ų146137.1 Ų137.164%0.63572%0.721SS**  trans-63.8165.1166.9-79.6175.4-176.9770111E334E334-K336 IonicContact OE1-NZ 3.99Å; E334-K336 PolarHBondContact OE1-NZ 3.05Å; E334-K336 IonicContact OE2-NZ 2.73Å
337K35Very low29Very low168 Ų168136.9 Ų136.973%0.7373%0.726SS**  cis-166.7-178.518.4-132.9179.6-173.2-156.10106
338Q27.5Very low29Very low138 Ų138134.5 Ų134.565%0.64572%0.724SS**  cis-170.6150.6-5.2-150.9-179.6-112.900103.1
339R25.7Very low28.8Very low209 Ų209131.2 Ų131.279%0.78972%0.724SS**  cis-161178.8-0.4-133.4-176.4176.4-172.1-4.1104.5
340L24.3Very low28.7Very low133 Ų133131.8 Ų131.870%0.69673%0.728SS**  cis-155.6107.8-3.4179.563.9000103.2
341G27.1Very low28.7Very low77 Ų77129.2 Ų129.279%0.79473%0.728SS**  59.7117.492.500000113.3
342G26.8Very low28.8Very low70 Ų70130.7 Ų130.772%0.72273%0.734SS**  cis-165.7162.2-4.900000108.2
343D27.9Very low28.9Very low158 Ų158132.1 Ų132.185%0.84574%0.743SS**  cis60.2131.737.1-109.145.5000113
344V32Very low28.8Very low106 Ų106130.7 Ų130.764%0.64275%0.745SS**  cis-167.2165.10.788.60000108.3
345Q24.8Very low28.6Very low172 Ų172130.9 Ų130.980%0.80475%0.754SS**  cis-155.3172.9-0.3-155.8165.4114.300110.5
346S30.1Very low28.9Very low101 Ų101133.1 Ų133.171%0.70676%0.756SS**  trans-82.5-170.9160.1-45.20000111.1
347P41.6Very low28.7Very low112 Ų112131.9 Ų131.973%0.72776%0.761SS**  cis-142.3-1650.342.3-20.7000117.1
348S24.8Very low28.4Very low107 Ų107129.8 Ų129.875%0.74876%0.764SS**  trans78.6101.7153.548.10000123.9
349C30.1Very low28.4Very low128 Ų128131.6 Ų131.687%0.86577%0.772SS**  31.6164120.9-79.20000124.3
350P37.4Very low28.4Very low108 Ų108126.8 Ų126.870%0.70177%0.771SS**  cis-136.1177.1-2.438.3-20000117.3
351S25Very low28.6Very low106 Ų106129.8 Ų129.874%0.74178%0.779SS**  trans60.6148155.347.50000119.5
352E26.4Very low28.6Very low178 Ų178134.5 Ų134.583%0.83278%0.78SS**  cis-152.1165.65.8-140.3162-154.500110.9
353D26.2Very low28.5Very low150 Ų150142.7 Ų142.780%0.80279%0.789SS**  trans44.9127167.8-80.1-9.1000123.3
354V27.3Very low28.5Very low140 Ų140141.2 Ų141.285%0.84878%0.782SS**  178.4148.5119.21470000112.1
355V26.1Very low28.2Very low124 Ų124142 Ų14275%0.75279%0.792SS**  trans-70.5143.3178173.60000113.3
356I29.6Very low28.3Very low165 Ų165138.7 Ų138.785%0.84679%0.787SS**  trans-160.2152.8150.1-109.5153.8000113
357T27Very low28.2Very low120 Ų120142.5 Ų142.574%0.73680%0.799SS**PPolyproline II helixtrans-102.6146.9-177.8-41.60000110.6
358P30Very low27.3Very low124 Ų124147.5 Ų147.581%0.80580%0.803SS**PPolyproline II helixtrans-70.7164.7-18028.5-36.6000115
359E27.5Very low27.3Very low175 Ų175148.4 Ų148.482%0.81881%0.808SS**PPolyproline II helixtrans-78.7156.4-158.6-58.5171.311500116.6
360S25.6Very low27.4Very low109 Ų109149.8 Ų149.876%0.76281%0.806SS**  trans-112.5127.7166.256.10000111.6
361F27.7Very low27Very low195 Ų195149.5 Ų149.586%0.85581%0.813SS**  trans-91.8104.3171.8-91.9-88.7000111.4
362E26.8Very low27Very low176 Ų176148.2 Ų148.282%0.82282%0.816SS**  trans-79.6144.4167.8-71.6-172.6128.800112.1
363R25Very low27.2Very low242 Ų242147.4 Ų147.491%0.91382%0.818SS**  trans-149.197.2146.3-175.4164.2-67.7172.31.3109.9
364D28.8Very low27.4Very low128 Ų128146.6 Ų146.668%0.68482%0.818SS**  trans-76.3155.2176.8-166.910.9000111.8
365S24.5Very low27.5Very low123 Ų123144.9 Ų144.986%0.8681%0.812SS**  trans-17088164.7-81.90000110.4
366S26.5Very low27.6Very low101 Ų101143.1 Ų143.171%0.70681%0.81SS**  trans-110.3134164.363.50000110.6
367L27.9Very low27.4Very low181 Ų181140.5 Ų140.595%0.94881%0.806SS**  trans-129.1120.3173.3-94.1171.8000110.8
368R23Very low27.4Very low217 Ų217142 Ų14282%0.81981%0.809SS**  trans-97.4137.5176.2177.8-168.5-73.1-162.6-2.7109.1
369C25.9Very low27.5Very low127 Ų127140.7 Ų140.786%0.85881%0.808SS**  trans-134.2160.9163.4-84.50000110.2
370L30.8Very low27.8Very low156 Ų156137.7 Ų137.782%0.81780%0.804SS**  trans-123.8145.2-165.3-84.8162.5000113
371A29.2Very low28Very low103 Ų103139.9 Ų139.985%0.85181%0.806SS**  trans35.7119.9149.800000120.8
372G26.4Very low27.9Very low78 Ų78137.8 Ų137.880%0.80480%0.803SS**  trans-166.2137.8161.100000110.7
373N29.3Very low27.7Very low162 Ų162134.1 Ų134.187%0.86680%0.797SS**  trans-106.5163.9-173.2-75.3-13.9000113
374V31.1Very low27.7Very low132 Ų132128.1 Ų128.180%0.879%0.792SS**  trans129.8117.2137.2178.70000116.7
375S29.6Very low27.4Very low105 Ų105127.7 Ų127.773%0.73480%0.799SS**  trans66.3129.7149.175.20000125.2
376A26.9Very low27.5Very low86 Ų86133.5 Ų133.571%0.71180%0.802SS**  trans85.7121.9130.900000122
377C25.8Very low27.4Very low111 Ų111134 Ų13475%0.7581%0.806SS**  43.6140.5122.3-67.10000120.9
378D28.2Very low27.2Very low152 Ų152133.1 Ų133.181%0.81380%0.801SS**  cis-152.2176.17.3-94.5-35.1000111.1
379A30.3Very low27.3Very low95 Ų95129.6 Ų129.679%0.78580%0.798SS**  trans-109.9147.2172.300000112.6
380P35.5Very low27.3Very low113 Ų113127.8 Ų127.873%0.73479%0.786SS**  trans-135.6125.2154.322.8-1.8000116.2
381I29.7Very low27.2Very low154 Ų154129.5 Ų129.579%0.7978%0.782SS**  59.8100.9117.4-58.4171.2000119.2
382L25.6Very low27.2Very low152 Ų152131.2 Ų131.280%0.79677%0.772SS**  56.7131.7119.6-101.1162.5000123.2
383S22.5Very low27.3Very low99 Ų99133.2 Ų133.269%0.69277%0.774SS**  trans81.8113.813659.30000123.7
384S23.8Very low27.2Very low115 Ų115128.4 Ų128.480%0.80476%0.762SS**  91.1151.6120.5-160.60000122.2
385S23.7Very low27.4Very low119 Ų119131.3 Ų131.383%0.83276%0.764SS**  trans107.5164148.682.30000119
386R26Very low27.4Very low245 Ų245133.9 Ų133.993%0.92577%0.77SS**  trans-151.9117-139171.7-156.7-166.3-179.56.9111.2
387S23.8Very low27.5Very low113 Ų113133.5 Ų133.579%0.7977%0.774SS**  trans-161.1142.4163.544.80000108.4
388L24.6Very low27.6Very low161 Ų161135.5 Ų135.584%0.84378%0.776SS**  cis103.4127.916.6-16481.5000113.9
389D25.3Very low27.7Very low143 Ų143136.1 Ų136.177%0.76577%0.774SS**  trans68.7150.6171-103.2-5.9000117.8
390C24.9Very low27.7Very low89 Ų89136.5 Ų136.560%0.60177%0.766SS**  cis-150.1-170.6-0.6-140.60000107.1
391R29.7Very low27.4Very low193 Ų193141.1 Ų141.173%0.72877%0.77SS**  cis-166.5178.71.9-135.7156.9-165.5-102.9-4.9105.2
392E28.6Very low27.5Very low138 Ų138140.5 Ų140.565%0.64576%0.764SS**  cis-162.5166.8-2.7-159.5150.4-176.400110.1
393S28.2Very low27.5Very low121 Ų121139 Ų13985%0.84676%0.757SS**  trans67.9131.5154.1-153.20000120.3
394G28.5Very low28Very low60 Ų60140.9 Ų140.962%0.61976%0.758SS**  cis141.5112.9-11.900000115.6
395K34.9Very low28.4Very low194 Ų194143.2 Ų143.284%0.84376%0.761SS**  trans-177.1133.1151.3-104.9157.1-173.3175.20112.4
396N29.8Very low28.6Very low159 Ų159145.2 Ų145.285%0.8576%0.761SS**  trans32.7126.7149.5-42.6-6.3000118.4
397G29.3Very low28.7Very low77 Ų77138.6 Ų138.679%0.79475%0.753SS**  cis118.6143.624.200000109.3
398L26.7Very low28.9Very low153 Ų153141.1 Ų141.180%0.80176%0.757SS**  cis-157.8-170.89.8-165.660.7000109.5
399H31.2Very low29Very low166 Ų166137.1 Ų137.177%0.76975%0.754SS**  trans78.6119.1179.9-63.5-86.2000115.5
400V30.3Very low29.1Very low102 Ų102136.2 Ų136.262%0.61875%0.754SS**  cis71.1116.435.2-1700000110.8
401Y29.1Very low29.3Very low210 Ų210137.9 Ų137.982%0.82476%0.761SS**  cis-118.9157.730.8-102.9-95.9000111.6
402Q30.5Very low29.4Very low142 Ų142135.6 Ų135.666%0.66476%0.764SS**  cis72.3135.526.4-163.9165.312.300113.3
403D27.1Very low29.5Very low119 Ų119134.7 Ų134.764%0.63677%0.773SS**  cis-142.6-171.5-8-127-35.5000105.5
404L31.2Very low29.5Very low139 Ų139135.7 Ų135.773%0.72877%0.774SS**  cis-142.11619.8-102.9117.7000109.2L406L404-L406 HydrophobicContact CD2-CD1 4.35Å
405L32.8Very low30Very low164 Ų164140.3 Ų140.386%0.85978%0.784SS**  trans-97.1150.3144.3-85.6165.8000108.9
406L28.2Very low30.2Very low161 Ų161136.4 Ų136.484%0.84378%0.778SS**  trans-157.7158.1147.6-112.3174.3000111.2L404L404-L406 HydrophobicContact CD2-CD1 4.35Å
407S27.6Very low31.1Very low106 Ų106133.9 Ų133.974%0.74177%0.771SS**  trans-150164.1-173.7-170.70000111.4
408L29Very low31.7Very low167 Ų167136.3 Ų136.387%0.87477%0.772SS**  trans77131164-149.672.3000117.8
409G26.7Very low31.7Very low77 Ų77139.3 Ų139.379%0.79478%0.779SS**  trans167.3105.7173.800000112.2
410T27.9Very low31.6Very low123 Ų123136.6 Ų136.676%0.75578%0.779SS**  trans-115.2135.7-168.1-50.80000112.2
411T29Very low31.4Very low124 Ų124140.3 Ų140.376%0.76179%0.794SS**  trans-176128.4135.426.70000114.9
412N30.7Very low31.4Very low146 Ų146138.6 Ų138.678%0.78179%0.794SS**  trans43.6112.3139.7-53.2-9.3000122
413S29.9Very low31.4Very low119 Ų119137.3 Ų137.383%0.83280%0.8SS**  -175.8132.2109.933.30000115.6
414T28.9Very low31.3Very low142 Ų142135.4 Ų135.487%0.87181%0.808SS**  trans29.2124.9147.7-43.20000123.3
415L38.9Very low31.3Very low156 Ų156136.4 Ų136.482%0.81781%0.813SS**  trans-71.4158.9166.3-85.2158.1000114.2
416P39.2Very low31Very low112 Ų112136.7 Ų136.773%0.72782%0.815SS**  -140.3-153.6109.743.9-29.1000112.9
417P48.5Very low31Very low107 Ų107134.8 Ų134.870%0.69581%0.81SS**  -120177.3-114.628.4-4.2000115.6
418P42.4Very low31Very low127 Ų127137.6 Ų137.683%0.82582%0.815SS**  trans-81.2161.8-174.833.2-37.3000114.9
419F27.6Very low31.1Very low217 Ų217136.9 Ų136.995%0.95281%0.812SS**  trans-89.8143-178.6-73.9-85.9000114.2
420S27.6Very low31.9Very low108 Ų108138.3 Ų138.376%0.75581%0.808SS**  trans-155.8135.3162.360.10000110.4
421L27.3Very low31.9Very low181 Ų181138.9 Ų138.995%0.94881%0.811SS**  trans-160.8164.1154.4-140.279.8000111.4
422Q28.2Very low32Very low174 Ų174137.3 Ų137.381%0.81381%0.81SS**  trans-146155.5-171.7-177.7-173.4-18.300110.6
423S30.2Very low32Very low115 Ų115140.2 Ų140.280%0.80482%0.819SS**  trans73.4145.1166-69.40000118.9
424G26.2Very low31.7Very low78 Ų78138.4 Ų138.480%0.80482%0.82SS**  trans168.977175.300000113.2
425I30.2Very low31.9Very low160 Ų160140.1 Ų140.182%0.82182%0.818SS**  trans-85.6140.1176.6-62.9169.6000109.9T427I425-T427 HydrophobicContact CG2-CG2 4.44Å
426L27.1Very low32.1Very low171 Ų171138.1 Ų138.190%0.89581%0.814SS**  trans-136.1126.5160.8-92.8173.4000111.7
427T27.8Very low31.9Very low120 Ų120139.5 Ų139.574%0.73681%0.814SS**  trans-103141175.350.20000110.6I425I425-T427 HydrophobicContact CG2-CG2 4.44Å
428L28.4Very low31Very low165 Ų165141.6 Ų141.686%0.86482%0.818SS**  trans-156132166.5-114.4153.5000113.2
429N29.7Very low30.3Very low152 Ų152141.3 Ų141.381%0.81381%0.814SS**  trans-159136.8169.3-122.7-25.8000105
430P44.1Very low30.3Very low108 Ų108135.9 Ų135.970%0.70180%0.804SS**  -155150.292.238.5-19.4000118.1
431V27.9Very low30.4Very low134 Ų134139 Ų13981%0.81281%0.811SS**  trans33.7120.5133.6-173.70000120.8
432A30.7Very low30.5Very low91 Ų91133.9 Ų133.975%0.75280%0.801SS**  -171.4120.1125.200000115.7
433Q30.3Very low30.6Very low208 Ų208131.3 Ų131.397%0.97280%0.802SS**  trans46.9134146.6-61.6-171.8-10.600124.4
434G25.7Very low30.7Very low81 Ų81133.3 Ų133.384%0.83580%0.804SS**  trans167.1112.1157.600000113.7
435Q31.7Very low31.3Very low177 Ų177138.6 Ų138.683%0.82781%0.808SS**  trans-156.1139.9-178-161.4-178.814.400112
436P44Very low31.8Very low114 Ų114140 Ų14074%0.7481%0.811SS**  -134.8139.2116.58.914.1000112.6
437I33.8Very low32.5Very low141 Ų141141.3 Ų141.372%0.72381%0.813SS**  66121.984.5-62.7169000112
438L30.5Very low33.2Very low152 Ų152139.9 Ų139.980%0.79681%0.813SS**  cis-128.2-135.16.4-124.5161.9000110.9
439T27.8Very low33.6Very low120 Ų120143.1 Ų143.174%0.73682%0.816SS**  cis-160.2162.88-31.50000111.9
440S28.2Very low34.1Very low104 Ų104142.6 Ų142.673%0.72782%0.817SS**  trans2.5127155.5-170.40000119.5
441L29.3Very low34Very low174 Ų174142.9 Ų142.991%0.91182%0.817SS**  cis106.6129.535.1176.770.7000112.8
442G28.1Very low34.6Very low72 Ų72145.9 Ų145.974%0.74283%0.825SS**  trans107.2144.8174.100000113.6
443S30.2Very low35.3Very low120 Ų120146.4 Ų146.484%0.83982%0.823SS**  cis-151.8155.2-10.4-177.80000109.3
444N33.9Very low35.8Very low157 Ų157141.4 Ų141.484%0.8481%0.811SS**  trans-69.2149.6165.1-67.9-25.1000110.4
445Q37.4Very low36.6Very low190 Ų190147.1 Ų147.189%0.88881%0.813SS**  trans-152.2136.8150.9-142.7163.4-4.800110.2
446E41Very low37.1Very low190 Ų190149.7 Ų149.789%0.88882%0.817SS**  trans-88.3139.6175.3-63.5154.7108.500109.3
447E42.5Very low37Very low198 Ų198153.5 Ų153.593%0.92583%0.825SS**  trans-108.7130.1165.7-68.3-163.1153.600110
448A41.7Very low37.1Very low90 Ų90154.1 Ų154.174%0.74483%0.83SS**  trans-95.4156.7-166.300000113.3V450A448-V450 PolarHBondContact O-N 2.68Å
449Y36.4Very low37.5Very low233 Ų233159.6 Ų159.691%0.91485%0.851SS**  trans-61.2129.2173.9-76.4-106.9000111.5
450V40.5Very low37.9Very low141 Ų141161.6 Ų161.686%0.85586%0.857SS**  trans-104.6110.4170178.50000109.3A448A448-V450 PolarHBondContact O-N 2.68Å
451T43.5Very low38.5Very low114 Ų114164.6 Ų164.670%0.69986%0.864SS**  trans-88.2130.3-179.8-29.80000111.2S453T451-S453 PolarHBondContact O-N 3.43Å
452M40Very low39Very low196 Ų196164.1 Ų164.197%0.96686%0.861SS**  trans-73.592174.4-81.2173.249.300111.7
453S45.3Very low39.6Very low102 Ų102169.5 Ų169.571%0.71387%0.868SS**  trans-15452.9177.865.40000115T451T451-S453 PolarHBondContact O-N 3.43Å
454S39.9Very low40.2Very low104 Ų104172.6 Ų172.673%0.72787%0.87SS**  trans-155.737.7-178.555.20000117
455F43.7Very low40.6Very low201 Ų201173.6 Ų173.688%0.88287%0.872SS**  trans-129.963.1173.4-87.6-73.4000114.1
456Y41.6Very low40.8Very low231 Ų231172.4 Ų172.491%0.90687%0.871SS**  trans-15991.7158.1-98.8-67.6000111.5
457Q40.8Very low40.8Very low193 Ų193171.1 Ų171.190%0.90287%0.87SS**  trans-156.1143.6145.3-136.5160.7-3.600112.4
458N37.3Very low40.7Very low155 Ų155168.8 Ų168.883%0.82987%0.865SS**  trans-74.2149.9-175.6-33.9-87.2000111.9
459Q37.6Very low40.6Very low266 Ų266176 Ų176100%1.24388%0.876SS**  -153.80100.6-163.3150.653.700111.6

Retrieved 459 of 459 residues in 505.7 ms (Link to these results)