A0A096MVY4_PAPAN Loading...

Collagen alpha-1(IX) chain

Structural component of hyaline cartilage and vitreous of the eye.

AlphaFold DB , UniProt , Accession A0A096MVY4, Species PAPAN (Papio anubis, Olive baboon), Gene COL9A1, Length 921 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
1M30Very low31.6Very low238 Ų238155.1 Ų155.1100%1.17277%0.768SS**  098.70-69.9166.7173.400106.1
2K30.7Very low31.2Very low203 Ų203157.5 Ų157.588%0.88377%0.772SS**  52.311297.7-68.9-173.4179.8-178.80109.7
3T35.6Very low30.8Very low130 Ų130154.2 Ų154.280%0.79877%0.766SS**  cis-170.2134.945.835.40000108.2
4C31.8Very low30.5Very low111 Ų111151.2 Ų151.275%0.7577%0.765SS**  45.6134.482-83.80000113.6
5W32.2Very low30.1Very low197 Ų197147.5 Ų147.575%0.74676%0.759SS**  cis-178.8144.831.7-140.229.5000108
6K30.8Very low30Very low175 Ų175150.4 Ų150.476%0.76177%0.765SS**  178.1126.978.3-82.9173.4175.7175.10105.9
7I31.3Very low29.9Very low117 Ų117151.8 Ų151.860%0.677%0.773SS**  58.6138.160.9-58.3-178.2000112.1V9I7-V9 HydrophobicContact CG2-CG2 4.01Å
8P41.4Very low29.9Very low114 Ų114153.1 Ų153.174%0.7478%0.776SS**  cis-127.315320.215.311.6000115.9
9V29.9Very low30.4Very low93 Ų93150.8 Ų150.856%0.56477%0.772SS**  74.9110.560-1710000113.4I7 F11I7-V9 HydrophobicContact CG2-CG2 4.01Å; V9-F11 HydrophobicContact CG1-CD2 4.2Å; V9-F11 HydrophobicContact CG1-CE2 4.27Å
10F26Very low30.1Very low176 Ų176155.7 Ų155.777%0.77278%0.781SS**  -177.8102.7109.7-105.9-87.8000111.2
11F27.9Very low30Very low152 Ų152153.3 Ų153.367%0.66779%0.785SS**  84.9105.4109.2-91-97.5000115.5V9V9-F11 HydrophobicContact CG1-CD2 4.2Å; V9-F11 HydrophobicContact CG1-CE2 4.27Å
12F26.9Very low29.9Very low184 Ų184147.6 Ų147.681%0.80777%0.769SS**  68.3121.994.4-103.9-94.3000112
13V26.6Very low29.8Very low115 Ų115142.5 Ų142.570%0.69777%0.765SS**  -176.3145.177.7164.30000110.4
14C25.3Very low29.6Very low112 Ų112140.8 Ų140.876%0.75776%0.764SS**  trans70.2146.6158.8-77.50000119.7
15S25.8Very low29.6Very low96 Ų96141.2 Ų141.267%0.67176%0.763SS**  cis-177.9143.3-15-98.60000106.4
16F28.5Very low29.7Very low194 Ų194141.8 Ų141.885%0.85177%0.77SS**  trans22.2112.7148.4-80.6-97.9000119.8
17L27.3Very low29.7Very low174 Ų174144 Ų14491%0.91177%0.774SS**  177.2109.8125-96.1146.8000111.2
18E29.8Very low29.4Very low175 Ų175149.8 Ų149.882%0.81879%0.788SS**  trans-65158.5150.8-104.2-175.1158.700109.6
19P39Very low28.8Very low109 Ų109148.6 Ų148.671%0.70878%0.78SS**  -153.1172.660.837.7-14.8000118.5
20W24.8Very low28.8Very low248 Ų248156 Ų15694%0.93980%0.798SS**  trans78.381.1157.8-75.88.2000118.8
21A28.1Very low29Very low106 Ų106154.6 Ų154.688%0.87679%0.792SS**  trans-75.5120.7156.600000110.7A23A21-A23 PolarHBondContact O-N 3.34Å
22S29.2Very low29Very low119 Ų119153.4 Ų153.483%0.83280%0.8SS**  trans-55.4131.6170.7-83.70000111.8A24S22-A24 PolarHBondContact O-N 3.45Å
23A28.4Very low29.2Very low96 Ų96148.8 Ų148.879%0.79380%0.795SS**  trans-61.297.6172.300000111A21 V25A21-A23 PolarHBondContact O-N 3.34Å; A23-V25 PolarHBondContact O-N 3.23Å; A23-V25 VanDerWaalsContact O-N 3.12Å
24A30.3Very low29.3Very low94 Ų94150.6 Ų150.678%0.77780%0.801SS**  trans-71.599.1168.500000109.5S22 K26S22-A24 PolarHBondContact O-N 3.45Å; A24-K26 PolarHBondContact O-N 3.37Å
25V32.1Very low29.8Very low120 Ų120150.4 Ų150.473%0.72780%0.801SS**  trans-7292.5169.4178.80000108.6A23 R27A23-V25 PolarHBondContact O-N 3.23Å; A23-V25 VanDerWaalsContact O-N 3.12Å; V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 HydrophobicContact CG1-CB 4.24Å; V25-R27 HydrophobicContact CG1-CG 4.03Å; V25-R27 PolarHBondContact O-N 3.2Å
26K34.9Very low29.9Very low209 Ų209152.4 Ų152.491%0.90980%0.804SS**  trans-65.892.7158.5-94.4178.6176173.60108.5A24A24-K26 PolarHBondContact O-N 3.37Å
27R29.4Very low30.5Very low220 Ų220148.2 Ų148.283%0.8380%0.799SS**  trans-128.8113.8157.1-79-169.2177.2-169.50.5108.8V25V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 HydrophobicContact CG1-CB 4.24Å; V25-R27 HydrophobicContact CG1-CG 4.03Å; V25-R27 PolarHBondContact O-N 3.2Å
28R26.3Very low31Very low240 Ų240148 Ų14891%0.90680%0.799SS**  trans-56126.2168.5-70.7-176.6-178.3-170.70.6108.3R30R28-R30 PolarHBondContact O-N 3.36Å
29P28.9Very low31.3Very low88 Ų88142.6 Ų142.657%0.57179%0.79SS**  trans-68.5114.9165.526.8-29.3000108F31P29-F31 HydrophobicContact CB-CD2 4.08Å; P29-F31 HydrophobicContact CB-CE2 3.69Å; P29-F31 HydrophobicContact CB-CZ 4.27Å; P29-F31 HydrophobicContact CG-CD2 4.2Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.45Å; P29-F31 PolarHBondContact O-N 3.28Å
30R28.4Very low31.6Very low248 Ų248146.2 Ų146.294%0.93680%0.797SS**  trans-73.4101.4161.8-83.4-174.1-167.7171.13.5106.7R28R28-R30 PolarHBondContact O-N 3.36Å
31F30Very low33Very low147 Ų147141 Ų14165%0.64579%0.788SS**  trans-78.9142.1161.1-70.3-82.9000108.4P29 A33P29-F31 HydrophobicContact CB-CD2 4.08Å; P29-F31 HydrophobicContact CB-CE2 3.69Å; P29-F31 HydrophobicContact CB-CZ 4.27Å; P29-F31 HydrophobicContact CG-CD2 4.2Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.45Å; P29-F31 PolarHBondContact O-N 3.28Å; F31-A33 VanDerWaalsContact C-N 3.28Å; F31-A33 PolarHBondContact O-N 2.83Å
32P29.3Very low34.8Very low128 Ų128141.3 Ų141.383%0.83177%0.771SS**  trans-69.194.7165.128.8-28.5000107.2N34P32-N34 PolarHBondContact O-N 3.45Å; P32-N34 VanDerWaalsContact O-N 3.17Å
33A31Very low36.9Very low87 Ų87137 Ų13772%0.71974%0.739SS**  trans-69.5105.4164.600000106.6F31 S35F31-A33 VanDerWaalsContact C-N 3.28Å; F31-A33 PolarHBondContact O-N 2.83Å; A33-S35 VanDerWaalsContact C-N 3.25Å; A33-S35 PolarHBondContact O-N 3.39Å
34N28.4Very low39.5Very low152 Ų152133.2 Ų133.281%0.81371%0.706SS**  trans-74.389168.6-149.615000106.6P32 N36P32-N34 PolarHBondContact O-N 3.45Å; P32-N34 VanDerWaalsContact O-N 3.17Å; N34-N36 VanDerWaalsContact C-N 3.27Å; N34-N36 PolarHBondContact O-N 2.98Å
35S34.9Very low41.7Very low108 Ų108131.9 Ų131.976%0.75569%0.69SS**  trans-76.681.9173.658.30000108.9A33A33-S35 VanDerWaalsContact C-N 3.25Å; A33-S35 PolarHBondContact O-N 3.39Å
36N29.3Very low43.6Very low138 Ų138135 Ų13574%0.73869%0.694SS**  trans-108.3108.6156.5-95.5-7.3000107.8N34N34-N36 VanDerWaalsContact C-N 3.27Å; N34-N36 PolarHBondContact O-N 2.98Å
37S41.1Very low45.2Very low107 Ų107129.4 Ų129.475%0.74867%0.673SS**  trans-58.6137.9167.435.40000110.4
38N36.4Very low46.4Very low170 Ų170128.6 Ų128.691%0.90967%0.67SS**SBendtrans91.849.2171.1-55.5-11.1000118.1
39G37.8Very low47.1Very low61 Ų61126.1 Ų126.163%0.62967%0.672SS**SBendtrans-153.9125.715100000108.1N41G39-N41 PolarHBondContact O-N 3.43Å
40E44.7Very low48Very low184 Ų184125.4 Ų125.486%0.8668%0.681SS**  trans-50.6134.8179.6-68.2175.6143.600110.3E42E40-E42 PolarHBondContact O-N 2.82Å
41N53.6Low49.2Very low140 Ų140119.1 Ų119.175%0.74966%0.662SS**  trans-75.856-171.8-145.519.7000110.1G39G39-N41 PolarHBondContact O-N 3.43Å
42E66.3Low50.4Low111 Ų111119.7 Ų119.752%0.51967%0.672SS.*  trans-83.9130.8-175.6-162.7173.8-165.400109.5E40 C44E40-E42 PolarHBondContact O-N 2.82Å; E42-C44 PolarHBondContact O-N 2.95Å; E42-C44 VanDerWaalsContact O-N 3.11Å
43L74.2Confident52.2Low28 Ų28118.2 Ų118.215%0.14766%0.657CS.*SBendtrans-56-32.5-175.5-169.672.2000112.2F57 Y103 L107 P108L43-F57 HydrophobicContact CD1-CD2 4.45Å; L43-F57 HydrophobicContact CD1-CE1 3.81Å; L43-F57 HydrophobicContact CD1-CE2 3.72Å; L43-F57 HydrophobicContact CD1-CZ 3.35Å; L43-F57 HydrophobicContact CD2-CE2 4.12Å; L43-F57 HydrophobicContact CG-CD2 4.46Å; L43-F57 HydrophobicContact CG-CE2 3.58Å; L43-F57 HydrophobicContact CG-CZ 3.63Å; L43-F57 VanDerWaalsContact O-CZ 3.29Å; L43-F57 WeakPolarHBondContact O-CZ 3.2Å; L43-Y103 HydrophobicContact CD1-CD1 3.8Å; L43-Y103 HydrophobicContact CD1-CE1 4.12Å; L43-Y103 HydrophobicContact CD2-CD1 3.53Å; L43-Y103 HydrophobicContact CD2-CE1 3.76Å; L43-Y103 HydrophobicContact CG-CD1 4.32Å; L43-L107 HydrophobicContact CD2-CD2 4.42Å; L43-P108 VanDerWaalsContact CD2-CD 3.42Å; L43-P108 HydrophobicContact CD2-CG 4.31Å
44C81.6Confident54.4Low17 Ų17115.7 Ų115.712%0.11563%0.632CS.*SBendtrans-130.290.8-177.8-64.80000109.9E42 P108 C242E42-C44 PolarHBondContact O-N 2.95Å; E42-C44 VanDerWaalsContact O-N 3.11Å; C44-P108 HydrophobicContact CB-CB 4.08Å; C44-P108 HydrophobicContact CB-CG 4.45Å; C44-P108 VanDerWaalsContact SG-CG 3.57Å; C44-C242 WeakPolarHBondContact CA-SG 3.49Å; C44-C242 HydrophobicContact CB-CB 3.57Å; C44-C242 WeakPolarHBondContact CB-SG 3.46Å; C44-C242 WeakPolarHBondContact SG-CA 3.18Å; C44-C242 WeakPolarHBondContact SG-CB 3.28Å; C44-C242 CovalentContact SG-SG 2.02Å; C44-C242 PolarHBondContact SG-SG 2.81Å
45P78Confident57Low67 Ų67110.9 Ų110.944%0.43561%0.608SS.*PPolyproline II helixtrans-65.8141.4176.427.6-33.9000110.3I47 L54 P55P45-I47 PolarHBondContact O-N 3.25Å; P45-L54 WeakPolarHBondContact O-CD2 3.18Å; P45-P55 HydrophobicContact CG-CG 4.47Å
46K71.2Confident59.2Low185 Ų185107.6 Ų107.680%0.80459%0.592SS**PPolyproline II helixtrans-59.8128.2170.3-64.6177.1-175.9172.80108.8R48K46-R48 PolarHBondContact O-N 3.45Å
47I68.2Low61.9Low92 Ų92103.1 Ų103.147%0.47257%0.566SS.*PPolyproline II helixtrans-49.2129.1-176.6-59.7175.9000110.1P45 Q51 L54P45-I47 PolarHBondContact O-N 3.25Å; I47-Q51 HydrophobicContact CG2-CB 4.08Å; I47-L54 HydrophobicContact CD1-CD1 4.23Å; I47-L54 HydrophobicContact CD1-CD2 4.08Å; I47-L54 HydrophobicContact CD1-CG 3.72Å; I47-L54 HydrophobicContact CG1-CD1 4.41Å; I47-L54 HydrophobicContact CG1-CD2 3.41Å; I47-L54 VanDerWaalsContact CG1-CD2 3.41Å; I47-L54 HydrophobicContact CG1-CG 3.65Å
48R55.3Low64.3Low203 Ų203101.4 Ų101.477%0.76655%0.548SS*.PPolyproline II helixtrans-80.4139.7165.2-66.2-174.5-179.1-171.80.5108.4K46 G50 Q51K46-R48 PolarHBondContact O-N 3.45Å; R48-G50 PolarHBondContact O-N 3.38Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.15Å
49I41.3Very low67Low187 Ų18793.3 Ų93.396%0.95951%0.505SS*.THydrogen-bonded Turntrans-51115178.4-60.5166.9000108.8
50G46.6Very low69.5Low73 Ų7391 Ų9175%0.75348%0.478SS*.THydrogen-bonded Turntrans110.56.6-178.200000116.9R48R48-G50 PolarHBondContact O-N 3.38Å
51Q53.4Low71.8Confident116 Ų11685.5 Ų85.554%0.54246%0.46SS..  trans-104.7118173.5-141.1170.5-5.800109.9I47 R48I47-Q51 HydrophobicContact CG2-CB 4.08Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.15Å
52D56.3Low73.6Confident160 Ų16081.4 Ų81.486%0.85644%0.436SS*.  trans-77.9-17.2-168.1-72.5-29.5000115.2
53D65.8Low75Confident97 Ų9776.7 Ų76.752%0.51941%0.414SS..SBendtrans-148.4143175.5-95-48.9000111.7R249D53-R249 IonicContact OD1-CZ 3.02Å; D53-R249 IonicContact OD1-NE 2.74Å; D53-R249 IonicContact OD1-NH2 2.65Å; D53-R249 PolarHBondContact OD1-NH2 3.44Å
54L77.1Confident75.9Confident34 Ų3479.3 Ų79.318%0.17843%0.426CS..  trans-66152170.4-83.2168.7000111P45 I47 H241 C242 D243P45-L54 WeakPolarHBondContact O-CD2 3.18Å; I47-L54 HydrophobicContact CD1-CD1 4.23Å; I47-L54 HydrophobicContact CD1-CD2 4.08Å; I47-L54 HydrophobicContact CD1-CG 3.72Å; I47-L54 HydrophobicContact CG1-CD1 4.41Å; I47-L54 HydrophobicContact CG1-CD2 3.41Å; I47-L54 VanDerWaalsContact CG1-CD2 3.41Å; I47-L54 HydrophobicContact CG1-CG 3.65Å; L54-H241 PolarHBondContact O-CE1 3.03Å; L54-H241 PolarHBondContact O-NE2 2.99Å; L54-C242 HydrophobicContact CB-CB 3.88Å; L54-C242 HydrophobicContact CD1-CB 4.34Å; L54-C242 HydrophobicContact CD2-CB 4.3Å; L54-C242 HydrophobicContact CG-CB 4.4Å; L54-D243 HydrophobicContact CB-CB 4.36Å; L54-D243 HydrophobicContact CD1-CB 3.88Å
55P83.3Confident76.5Confident50 Ų5078.5 Ų78.533%0.32542%0.42SS..  trans-66.9150.1-177.824.4-29.3000112.6P45 C242P45-P55 HydrophobicContact CG-CG 4.47Å; P55-C242 HydrophobicContact CG-CB 4.44Å; P55-C242 WeakPolarHBondContact O-CB 3.32Å; P55-C242 PolarHBondContact O-N 3.48Å; P55-C242 PolarHBondContact O-SG 2.84Å; P55-C242 VanDerWaalsContact O-SG 3.35Å
56G81.6Confident77.2Confident40 Ų4077.8 Ų77.841%0.41241%0.413SS..EExtended strand (participates in β ladder)trans-128.1145.5174.100000111.9I240G56-I240 CarbonylContact C-O 3.56Å; G56-I240 WeakPolarHBondContact CA-O 3.3Å
57F86.4Confident78.2Confident44 Ų4473.9 Ų73.919%0.19340%0.396CS..EExtended strand (participates in β ladder)trans-110.3107.8-177-59.1-80.3000109.7L43 L59 L239 I240L43-F57 HydrophobicContact CD1-CD2 4.45Å; L43-F57 HydrophobicContact CD1-CE1 3.81Å; L43-F57 HydrophobicContact CD1-CE2 3.72Å; L43-F57 HydrophobicContact CD1-CZ 3.35Å; L43-F57 HydrophobicContact CD2-CE2 4.12Å; L43-F57 HydrophobicContact CG-CD2 4.46Å; L43-F57 HydrophobicContact CG-CE2 3.58Å; L43-F57 HydrophobicContact CG-CZ 3.63Å; L43-F57 VanDerWaalsContact O-CZ 3.29Å; L43-F57 WeakPolarHBondContact O-CZ 3.2Å; F57-L59 HydrophobicContact CB-CD1 4.43Å; F57-L59 WeakPolarHBondContact O-CD1 3.33Å; F57-L59 PolarHBondContact O-N 2.81Å; F57-L239 WeakPolarHBondContact O-CA 3.46Å; F57-L239 WeakPolarHBondContact O-CD1 3.5Å; F57-I240 HydrophobicContact CD2-CG2 4.49Å; F57-I240 PolarHBondContact N-O 2.71Å; F57-I240 PolarHBondContact O-N 3.08Å
58D91.1Very high79.4Confident70 Ų7070.2 Ų70.237%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-76.7108.1174.7178.80.9000110.4I60 S61 Q62D58-I60 VanDerWaalsContact C-N 3.31Å; D58-I60 PolarHBondContact O-N 3.42Å; D58-I60 WeakPolarHBondContact OD1-CB 3.19Å; D58-I60 PolarHBondContact OD1-N 2.94Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-Q62 WeakPolarHBondContact O-CG 3.47Å; D58-Q62 PolarHBondContact O-N 3.4Å; D58-Q62 VanDerWaalsContact O-N 3.09Å
59L92.4Very high81.2Confident1 Ų161.1 Ų61.11%0.00535%0.347CS..Hα-helixtrans-71.1-26.1-177-85.968.1000111.8F57 S61 Q62 F63 F113 W131 M238 I240F57-L59 HydrophobicContact CB-CD1 4.43Å; F57-L59 WeakPolarHBondContact O-CD1 3.33Å; F57-L59 PolarHBondContact O-N 2.81Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.94Å; L59-Q62 PolarHBondContact O-N 3.2Å; L59-F63 HydrophobicContact CB-CD2 4.16Å; L59-F63 HydrophobicContact CB-CE2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.19Å; L59-F63 HydrophobicContact CG-CD2 4.37Å; L59-F63 HydrophobicContact CG-CE2 4.17Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 VanDerWaalsContact O-CD2 3.26Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.5Å; L59-F113 HydrophobicContact CD2-CE2 4.48Å; L59-W131 HydrophobicContact CD2-CG 4.16Å; L59-M238 HydrophobicContact CB-CB 4Å; L59-M238 HydrophobicContact CB-CG 3.82Å; L59-M238 HydrophobicContact CB-SD 3.94Å; L59-M238 HydrophobicContact CD2-CG 3.85Å; L59-M238 HydrophobicContact CD2-SD 3.54Å; L59-M238 VanDerWaalsContact CD2-SD 3.54Å; L59-M238 HydrophobicContact CG-CG 4.35Å; L59-M238 HydrophobicContact CG-SD 4.38Å; L59-M238 PolarHBondContact N-O 3.44Å; L59-I240 HydrophobicContact CD1-CB 4.1Å; L59-I240 HydrophobicContact CD1-CD1 4.05Å; L59-I240 HydrophobicContact CD1-CG1 3.86Å; L59-I240 HydrophobicContact CD2-CD1 4.17Å; L59-I240 HydrophobicContact CD2-CG1 4.47Å
60I91.9Very high83.6Confident13 Ų1356.3 Ų56.37%0.06733%0.331CS..Hα-helixtrans-63.8-44.9176.9-67.6-177.2000109.9D58 Q64 V65 Y87 L235 Q236 M238D58-I60 VanDerWaalsContact C-N 3.31Å; D58-I60 PolarHBondContact O-N 3.42Å; D58-I60 WeakPolarHBondContact OD1-CB 3.19Å; D58-I60 PolarHBondContact OD1-N 2.94Å; I60-Q64 PolarHBondContact O-N 3.25Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; I60-V65 HydrophobicContact CG2-CB 3.97Å; I60-V65 HydrophobicContact CG2-CG1 4.48Å; I60-V65 PolarHBondContact O-N 2.8Å; I60-Y87 HydrophobicContact CD1-CD2 4.42Å; I60-Y87 HydrophobicContact CD1-CE2 4.37Å; I60-Y87 HydrophobicContact CG2-CD2 4.34Å; I60-Y87 HydrophobicContact CG2-CE2 3.84Å; I60-L235 HydrophobicContact CD1-CD2 4.5Å; I60-L235 HydrophobicContact CD1-CG 4.33Å; I60-L235 HydrophobicContact CG1-CD2 4.16Å; I60-Q236 WeakPolarHBondContact CD1-O 3.23Å; I60-M238 HydrophobicContact CG1-CB 4.45Å
61S92Very high85.8Confident67 Ų6762.4 Ų62.447%0.46933%0.331SS..Hα-helixtrans-68.1-44.7177.4-174.70000112D58 L59 Q64D58-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.94Å; S61-Q64 PolarHBondContact O-N 3.36Å
62Q92.4Very high87.6Confident55 Ų5568 Ų6826%0.25735%0.347SS..Hα-helixtrans-63.3-45.2179.7-72-180-7.500112.5D58 L59 Q64 I97 L102D58-Q62 WeakPolarHBondContact O-CG 3.47Å; D58-Q62 PolarHBondContact O-N 3.4Å; D58-Q62 VanDerWaalsContact O-N 3.09Å; L59-Q62 PolarHBondContact O-N 3.2Å; Q62-Q64 PolarHBondContact O-N 2.91Å; Q62-I97 HydrophobicContact CB-CD1 4.2Å; Q62-I97 VanDerWaalsContact O-CD1 3.25Å; Q62-I97 WeakPolarHBondContact O-CD1 3.47Å; Q62-L102 HydrophobicContact CB-CD2 4.35Å; Q62-L102 HydrophobicContact CG-CD2 4.41Å
63F94.2Very high89.2Confident12 Ų1262.6 Ų62.65%0.05333%0.325CS..THydrogen-bonded Turntrans-76.10.8174.9-76.2-96.3000113.5L59 V65 F95 I97 L102 A218 L220L59-F63 HydrophobicContact CB-CD2 4.16Å; L59-F63 HydrophobicContact CB-CE2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.19Å; L59-F63 HydrophobicContact CG-CD2 4.37Å; L59-F63 HydrophobicContact CG-CE2 4.17Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 VanDerWaalsContact O-CD2 3.26Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.5Å; F63-V65 HydrophobicContact CB-CG2 3.82Å; F63-V65 PolarHBondContact O-N 3.03Å; F63-F95 HydrophobicContact CB-CD1 4.37Å; F63-F95 HydrophobicContact CD1-CB 3.89Å; F63-I97 HydrophobicContact CB-CD1 4.3Å; F63-I97 HydrophobicContact CD1-CD1 3.82Å; F63-I97 HydrophobicContact CD1-CG1 3.72Å; F63-I97 HydrophobicContact CD2-CD1 3.74Å; F63-I97 HydrophobicContact CD2-CG1 4.49Å; F63-I97 HydrophobicContact CE1-CB 4.4Å; F63-I97 HydrophobicContact CE1-CD1 4.07Å; F63-I97 HydrophobicContact CE1-CG1 3.79Å; F63-I97 HydrophobicContact CE2-CD1 3.98Å; F63-I97 HydrophobicContact CG-CD1 3.67Å; F63-I97 HydrophobicContact CG-CG1 4.11Å; F63-I97 HydrophobicContact CZ-CD1 4.16Å; F63-I97 HydrophobicContact CZ-CG1 4.23Å; F63-L102 HydrophobicContact CE2-CD1 4.44Å; F63-A218 VanDerWaalsContact CE1-O 3.3Å; F63-A218 WeakPolarHBondContact CE1-O 3.25Å; F63-A218 HydrophobicContact CZ-CB 3.88Å; F63-A218 WeakPolarHBondContact CZ-O 3.08Å; F63-L220 HydrophobicContact CB-CD1 4.08Å; F63-L220 HydrophobicContact CD1-CD1 3.94Å; F63-L220 HydrophobicContact CD1-CG 3.96Å; F63-L220 HydrophobicContact CD2-CD1 4.12Å; F63-L220 HydrophobicContact CD2-CD2 4.5Å; F63-L220 HydrophobicContact CD2-CG 4.38Å; F63-L220 HydrophobicContact CE1-CD1 4.35Å; F63-L220 HydrophobicContact CE1-CD2 4.43Å; F63-L220 HydrophobicContact CE1-CG 3.87Å; F63-L220 HydrophobicContact CE2-CD2 4.15Å; F63-L220 HydrophobicContact CE2-CG 4.31Å; F63-L220 HydrophobicContact CG-CD1 3.79Å; F63-L220 HydrophobicContact CG-CG 4.2Å; F63-L220 HydrophobicContact CZ-CD2 4.1Å; F63-L220 HydrophobicContact CZ-CG 4.04Å
64Q94Very high90.5Very high83 Ų8358.8 Ų58.839%0.38830%0.304SS..THydrogen-bonded Turntrans54.534.8177.7-56.9-173.63300112.2I60 S61 Q62 D66 K67 A68I60-Q64 PolarHBondContact O-N 3.25Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; S61-Q64 PolarHBondContact O-N 3.36Å; Q62-Q64 PolarHBondContact O-N 2.91Å; Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 WeakPolarHBondContact CA-OD1 3.42Å; Q64-D66 PolarHBondContact O-N 3.49Å; Q64-K67 HydrophobicContact CB-CB 4.16Å; Q64-K67 HydrophobicContact CB-CD 4.09Å; Q64-K67 HydrophobicContact CB-CG 4.49Å; Q64-K67 HydrophobicContact CG-CD 4.11Å; Q64-K67 PolarHBondContact O-N 3.5Å; Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.82Å
65V94.1Very high91.4Very high0 Ų062.8 Ų62.80%032%0.322CS..Hα-helixtrans-63.8-39.9-178.7178.40000109.7I60 F63 A68 A69 I74 Y87 L89 F95 L220I60-V65 HydrophobicContact CG2-CB 3.97Å; I60-V65 HydrophobicContact CG2-CG1 4.48Å; I60-V65 PolarHBondContact O-N 2.8Å; F63-V65 HydrophobicContact CB-CG2 3.82Å; F63-V65 PolarHBondContact O-N 3.03Å; V65-A68 PolarHBondContact O-N 3.37Å; V65-A69 PolarHBondContact O-N 2.81Å; V65-I74 HydrophobicContact CG1-CD1 3.54Å; V65-I74 WeakPolarHBondContact O-CD1 3.35Å; V65-Y87 HydrophobicContact CG1-CD1 4.19Å; V65-Y87 HydrophobicContact CG1-CD2 3.92Å; V65-Y87 HydrophobicContact CG1-CG 3.67Å; V65-L89 HydrophobicContact CG1-CD1 4.08Å; V65-F95 HydrophobicContact CB-CE1 4.35Å; V65-F95 HydrophobicContact CG2-CD1 3.96Å; V65-F95 HydrophobicContact CG2-CE1 3.89Å; V65-F95 HydrophobicContact CG2-CZ 4.48Å; V65-L220 HydrophobicContact CG2-CD1 4.44Å
66D92.2Very high91.9Very high52 Ų5268 Ų6828%0.27834%0.335SS..Hα-helixtrans-59.2-43.117363.1-20.5000113.2Q64 A69 S70Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 WeakPolarHBondContact CA-OD1 3.42Å; Q64-D66 PolarHBondContact O-N 3.49Å; D66-A69 PolarHBondContact O-N 2.98Å; D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.97Å; D66-S70 PolarHBondContact O-OG 3.21Å
67K93.5Very high92.6Very high102 Ų10267.6 Ų67.644%0.44333%0.325SS..Hα-helixtrans-71.1-38.5176.2-67.9175.5-176165.60111.1Q64 A69 S70 R71Q64-K67 HydrophobicContact CB-CB 4.16Å; Q64-K67 HydrophobicContact CB-CD 4.09Å; Q64-K67 HydrophobicContact CB-CG 4.49Å; Q64-K67 HydrophobicContact CG-CD 4.11Å; Q64-K67 PolarHBondContact O-N 3.5Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.19Å; K67-S70 PolarHBondContact O-N 3.49Å; K67-R71 WeakPolarHBondContact O-CB 3.22Å; K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.3Å; K67-R71 PolarHBondContact O-N 3.41Å
68A92.6Very high93Very high15 Ų1569.9 Ų69.912%0.12434%0.342CS..Hα-helixtrans-60.8-41.8173.800000110.9Q64 V65 R71 R72 A73 I74 F95Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.82Å; V65-A68 PolarHBondContact O-N 3.37Å; A68-R71 CarbonylContact O-C 3.59Å; A68-R71 PolarHBondContact O-N 3.17Å; A68-R72 PolarHBondContact O-N 2.93Å; A68-A73 HydrophobicContact CB-CB 4.36Å; A68-A73 WeakPolarHBondContact O-CB 3.4Å; A68-A73 PolarHBondContact O-N 2.72Å; A68-I74 HydrophobicContact CB-CD1 4.3Å; A68-I74 HydrophobicContact CB-CG1 4.14Å; A68-F95 HydrophobicContact CB-CE1 3.93Å; A68-F95 HydrophobicContact CB-CZ 3.99Å
69A92.3Very high93.2Very high12 Ų1266.9 Ų66.910%0.09933%0.328CS..Hα-helixtrans-65.6-43.517500000112.2V65 D66 K67 R71 R72 I74 Y87V65-A69 PolarHBondContact O-N 2.81Å; D66-A69 PolarHBondContact O-N 2.98Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.19Å; A69-R71 PolarHBondContact O-N 3.1Å; A69-R72 WeakPolarHBondContact O-CA 3.41Å; A69-R72 PolarHBondContact O-N 3.47Å; A69-I74 HydrophobicContact CB-CD1 4.17Å; A69-I74 HydrophobicContact CB-CG1 3.76Å; A69-Y87 HydrophobicContact CB-CD1 3.61Å; A69-Y87 HydrophobicContact CB-CE1 3.64Å
70S92.6Very high93.3Very high87 Ų8767.4 Ų67.461%0.60833%0.331SS*.Hα-helixtrans-63.2-30.2177-59.40000112.6D66 K67 R72D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.97Å; D66-S70 PolarHBondContact O-OG 3.21Å; K67-S70 PolarHBondContact O-N 3.49Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å
71R93.3Very high93.3Very high200 Ų20068.4 Ų68.476%0.75534%0.342SS*.THydrogen-bonded Turntrans-84.66.7173.4-68.2177.2-177.4-1572.4113.7K67 A68 A69 A73K67-R71 WeakPolarHBondContact O-CB 3.22Å; K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.3Å; K67-R71 PolarHBondContact O-N 3.41Å; A68-R71 CarbonylContact O-C 3.59Å; A68-R71 PolarHBondContact O-N 3.17Å; A69-R71 PolarHBondContact O-N 3.1Å; R71-A73 PolarHBondContact O-N 2.88Å
72R89.6Confident93.2Very high233 Ų23371.4 Ų71.488%0.87936%0.357SS*.THydrogen-bonded Turntrans59.520.9-177.2-52.4-178179.2-166.9-0.7114.2A68 A69 S70A68-R72 PolarHBondContact O-N 2.93Å; A69-R72 WeakPolarHBondContact O-CA 3.41Å; A69-R72 PolarHBondContact O-N 3.47Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å
73A90.6Very high93.2Very high48 Ų4876.3 Ų76.340%0.39739%0.385SS..SBendtrans-76-31.2174.700000111.6A68 R71 V93A68-A73 HydrophobicContact CB-CB 4.36Å; A68-A73 WeakPolarHBondContact O-CB 3.4Å; A68-A73 PolarHBondContact O-N 2.72Å; R71-A73 PolarHBondContact O-N 2.88Å; A73-V93 HydrophobicContact CB-CG2 3.92Å; A73-V93 WeakPolarHBondContact O-CG2 3.34Å
74I94.4Very high93.1Very high16 Ų1679.7 Ų79.78%0.08240%0.401CS..SBendtrans-128.5159170.963.5171.7000110.5V65 A68 A69 Y87 L89 V93 F95V65-I74 HydrophobicContact CG1-CD1 3.54Å; V65-I74 WeakPolarHBondContact O-CD1 3.35Å; A68-I74 HydrophobicContact CB-CD1 4.3Å; A68-I74 HydrophobicContact CB-CG1 4.14Å; A69-I74 HydrophobicContact CB-CD1 4.17Å; A69-I74 HydrophobicContact CB-CG1 3.76Å; I74-Y87 HydrophobicContact CD1-CD1 4.19Å; I74-Y87 HydrophobicContact CD1-CG 4.38Å; I74-L89 HydrophobicContact CD1-CD1 4.34Å; I74-V93 HydrophobicContact CG2-CB 3.97Å; I74-V93 HydrophobicContact CG2-CG2 3.61Å; I74-F95 HydrophobicContact CD1-CZ 3.94Å; I74-F95 HydrophobicContact CG2-CE2 4.04Å; I74-F95 HydrophobicContact CG2-CZ 3.85Å
75Q94.1Very high93.2Very high118 Ų11878.7 Ų78.755%0.55140%0.4SS*.EExtended strand (participates in β ladder)trans-88.2134.8-179.7-172177.5-0.100111V77 K88Q75-V77 HydrophobicContact CG-CG1 4.06Å; Q75-K88 HydrophobicContact CB-CB 4.27Å; Q75-K88 PolarHBondContact O-N 2.76Å
76R95Very high93.3Very high159 Ų15978.7 Ų78.760%0.640%0.4SS*.EExtended strand (participates in β ladder)trans-91131169.8-157.1169.181.8-160.41.2109.2V85 A86 Y87R76-V85 HydrophobicContact CG-CG1 3.37Å; R76-A86 CarbonylContact C-O 3.56Å; R76-A86 WeakPolarHBondContact CA-O 3.23Å; R76-Y87 HydrophobicContact CG-CD1 4.25Å; R76-Y87 HydrophobicContact CG-CE1 4.03Å
77V95.3Very high93.5Very high32 Ų3277.8 Ų77.819%0.19439%0.393CS..EExtended strand (participates in β ladder)trans-130.6165-176.5-60.40000110.3Q75 A86 E234Q75-V77 HydrophobicContact CG-CG1 4.06Å; V77-A86 HydrophobicContact CG2-CB 3.89Å; V77-A86 PolarHBondContact N-O 3.46Å; V77-A86 PolarHBondContact O-N 2.92Å; V77-E234 HydrophobicContact CG2-CG 4.45Å
78V95.9Very high93.6Very high92 Ų9277.6 Ų77.656%0.55839%0.392SS*.EExtended strand (participates in β ladder)trans-70133.8171.6-177.50000108.5
79G94.7Very high93.7Very high8 Ų877.1 Ų77.18%0.08239%0.388CS..  trans-80.2-152.4-179.500000113.5A81 Q84 W180G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.92Å; G79-Q84 PolarHBondContact N-O 3.29Å; G79-W180 VanDerWaalsContact C-CE2 3.47Å; G79-W180 PolarHBondContact O-NE1 3.41Å
80S94.2Very high93.2Very high11 Ų1177.2 Ų77.28%0.07739%0.39CS..SBendtrans-59.7-35176.350.20000113.8Q236 E254 P256S80-Q236 PolarHBondContact OG-NE2 2.92Å; S80-Q236 PolarHBondContact OG-OE1 2.73Å; S80-E254 CarbonylContact C-O 3.55Å; S80-E254 VanDerWaalsContact CB-O 3.28Å; S80-E254 WeakPolarHBondContact CB-O 3.47Å; S80-E254 PolarHBondContact OG-O 2.76Å; S80-P256 WeakPolarHBondContact O-CD 3.37Å; S80-P256 WeakPolarHBondContact O-CG 3.43Å
81A92.6Very high92.3Very high35 Ų3578.9 Ų78.929%0.28939%0.392SS..SBendtrans-120.5162.417200000111.3G79 L83 Q84G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.92Å; A81-L83 PolarHBondContact O-N 3.22Å; A81-L83 VanDerWaalsContact O-N 3.16Å; A81-Q84 HydrophobicContact CB-CB 4.44Å; A81-Q84 HydrophobicContact CB-CG 3.91Å; A81-Q84 WeakPolarHBondContact O-CB 3.47Å; A81-Q84 PolarHBondContact O-N 3.49Å
82T89.6Confident91.4Very high129 Ų12976.4 Ų76.479%0.79139%0.393SS*.THydrogen-bonded Turntrans-59.1-29.6-176.750.20000114.1
83L91.6Very high91.1Very high159 Ų15967.1 Ų67.183%0.83236%0.362SS*.THydrogen-bonded Turntrans-89.6-12.5177.2-60.2178.2000113.2A81A81-L83 PolarHBondContact O-N 3.22Å; A81-L83 VanDerWaalsContact O-N 3.16Å
84Q93.6Very high91Very high82 Ų8268 Ų6838%0.38336%0.361SS..  trans-84.5142.6-177.5-66.8-66.9-23.700110.4G79 A81 E254G79-Q84 PolarHBondContact N-O 3.29Å; A81-Q84 HydrophobicContact CB-CB 4.44Å; A81-Q84 HydrophobicContact CB-CG 3.91Å; A81-Q84 WeakPolarHBondContact O-CB 3.47Å; A81-Q84 PolarHBondContact O-N 3.49Å; Q84-E254 HydrophobicContact CG-CB 4.39Å
85V95.4Very high91Very high62 Ų6268 Ų6838%0.37636%0.36SS..EExtended strand (participates in β ladder)trans-107.8133.6178.1169.60000108.8R76 Y87R76-V85 HydrophobicContact CG-CG1 3.37Å; V85-Y87 HydrophobicContact CG1-CE1 4.28Å; V85-Y87 HydrophobicContact CG1-CE2 4.48Å
86A97Very high91Very high0 Ų066.4 Ų66.40%035%0.349CS..EExtended strand (participates in β ladder)trans-126.1165.8171.900000112.1R76 V77 W180 L235 Q236R76-A86 CarbonylContact C-O 3.56Å; R76-A86 WeakPolarHBondContact CA-O 3.23Å; V77-A86 HydrophobicContact CG2-CB 3.89Å; V77-A86 PolarHBondContact N-O 3.46Å; V77-A86 PolarHBondContact O-N 2.92Å; A86-W180 HydrophobicContact CB-CH2 3.28Å; A86-W180 HydrophobicContact CB-CZ2 3.78Å; A86-W180 HydrophobicContact CB-CZ3 4.23Å; A86-L235 CarbonylContact C-O 3.58Å; A86-L235 WeakPolarHBondContact CA-O 3.33Å; A86-Q236 HydrophobicContact CB-CB 4.06Å
87Y96.6Very high91Very high33 Ų3360 Ų6013%0.12933%0.326CS..EExtended strand (participates in β ladder)trans-123.7126.2-174-57-77.2000109.5I60 V65 A69 I74 R76 V85 L89 E234 L235I60-Y87 HydrophobicContact CD1-CD2 4.42Å; I60-Y87 HydrophobicContact CD1-CE2 4.37Å; I60-Y87 HydrophobicContact CG2-CD2 4.34Å; I60-Y87 HydrophobicContact CG2-CE2 3.84Å; V65-Y87 HydrophobicContact CG1-CD1 4.19Å; V65-Y87 HydrophobicContact CG1-CD2 3.92Å; V65-Y87 HydrophobicContact CG1-CG 3.67Å; A69-Y87 HydrophobicContact CB-CD1 3.61Å; A69-Y87 HydrophobicContact CB-CE1 3.64Å; I74-Y87 HydrophobicContact CD1-CD1 4.19Å; I74-Y87 HydrophobicContact CD1-CG 4.38Å; R76-Y87 HydrophobicContact CG-CD1 4.25Å; R76-Y87 HydrophobicContact CG-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE1 4.28Å; V85-Y87 HydrophobicContact CG1-CE2 4.48Å; Y87-L89 WeakPolarHBondContact O-CD1 3.35Å; Y87-L89 PolarHBondContact O-N 2.91Å; Y87-E234 CarbonylContact O-C 3.57Å; Y87-E234 VanDerWaalsContact O-CA 3.31Å; Y87-E234 WeakPolarHBondContact O-CA 3.3Å; Y87-L235 WeakPolarHBondContact CD2-O 3.38Å; Y87-L235 PolarHBondContact N-O 2.87Å; Y87-L235 PolarHBondContact O-N 2.91Å
88K95.3Very high91.1Very high99 Ų9960.4 Ų60.443%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-84.1105.1176.4-170.7172.8-179.8175.80109.5Q75 E234Q75-K88 HydrophobicContact CB-CB 4.27Å; Q75-K88 PolarHBondContact O-N 2.76Å; K88-E234 HydrophobicContact CB-CG 4.3Å; K88-E234 HydrophobicContact CG-CG 4.23Å
89L93.3Very high91Very high5 Ų556 Ų563%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-91.9156.9176.1-79.267.3000109.5V65 I74 Y87 F95 L220 P232 F233 L235V65-L89 HydrophobicContact CG1-CD1 4.08Å; I74-L89 HydrophobicContact CD1-CD1 4.34Å; Y87-L89 WeakPolarHBondContact O-CD1 3.35Å; Y87-L89 PolarHBondContact O-N 2.91Å; L89-F95 HydrophobicContact CD2-CD2 3.99Å; L89-F95 HydrophobicContact CD2-CE2 4.18Å; L89-F95 HydrophobicContact CG-CD2 4.15Å; L89-F95 HydrophobicContact CG-CE2 3.86Å; L89-L220 HydrophobicContact CD2-CD1 4.32Å; L89-P232 VanDerWaalsContact O-CA 3.3Å; L89-P232 WeakPolarHBondContact O-CA 3.29Å; L89-F233 HydrophobicContact CB-CD1 4.07Å; L89-F233 HydrophobicContact CB-CE1 3.72Å; L89-F233 HydrophobicContact CB-CZ 4.2Å; L89-F233 HydrophobicContact CD2-CE1 3.93Å; L89-F233 HydrophobicContact CD2-CZ 3.7Å; L89-F233 HydrophobicContact CG-CE1 4.46Å; L89-F233 PolarHBondContact N-O 2.95Å; L89-F233 PolarHBondContact O-N 3.12Å; L89-F233 VanDerWaalsContact O-N 3.11Å; L89-F233 VanDerWaalsContact O-O 3.05Å; L89-L235 HydrophobicContact CD1-CB 3.93Å; L89-L235 HydrophobicContact CD2-CB 4.5Å; L89-L235 HydrophobicContact CD2-CD2 4.17Å
90G82.3Confident91Very high14 Ų1461.2 Ų61.214%0.14432%0.32CS..SBendtrans166.3-149.8-17900000113N92 S230G90-N92 PolarHBondContact O-N 2.93Å; G90-N92 VanDerWaalsContact O-N 3.12Å; G90-S230 WeakPolarHBondContact O-CB 3.33Å
91N74.7Confident90.9Very high121 Ų12165.7 Ų65.765%0.64734%0.343SS*.THydrogen-bonded Turntrans-68.6-13.7-168.1-63.513000114.7S230N91-S230 PolarHBondContact OD1-O 2.64Å
92N72.9Confident90.7Very high148 Ų14865.3 Ų65.379%0.79134%0.336SS*.THydrogen-bonded Turntrans-84.2-24.1-168.3-60.753.7000113.1G90G90-N92 PolarHBondContact O-N 2.93Å; G90-N92 VanDerWaalsContact O-N 3.12Å
93V83.1Confident90.7Very high38 Ų3859.2 Ų59.223%0.2330%0.299CS..  trans-141136.5-175.2-176.90000109.8A73 I74 F95A73-V93 HydrophobicContact CB-CG2 3.92Å; A73-V93 WeakPolarHBondContact O-CG2 3.34Å; I74-V93 HydrophobicContact CG2-CB 3.97Å; I74-V93 HydrophobicContact CG2-CG2 3.61Å; V93-F95 HydrophobicContact CB-CD2 4.42Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.38Å; V93-F95 HydrophobicContact CG1-CD2 4.15Å; V93-F95 HydrophobicContact CG1-CE1 3.9Å; V93-F95 HydrophobicContact CG1-CE2 3.64Å; V93-F95 HydrophobicContact CG1-CG 4.48Å; V93-F95 HydrophobicContact CG1-CZ 3.49Å; V93-F95 VanDerWaalsContact CG1-CZ 3.49Å
94D90.1Very high90.6Very high67 Ų6754.8 Ų54.836%0.35828%0.28SS..  trans-104.2101.5-179.5-175.927.7000110.4R96 K222D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 IonicContact OD1-NE 3.13Å; D94-R96 IonicContact OD1-NH2 2.64Å; D94-R96 IonicContact OD2-CZ 2.99Å; D94-R96 IonicContact OD2-NE 3.17Å; D94-R96 PolarHBondContact OD2-NE 3.26Å; D94-R96 IonicContact OD2-NH2 3.95Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å; D94-K222 WeakPolarHBondContact OD1-CE 3.27Å; D94-K222 IonicContact OD1-NZ 2.81Å; D94-K222 PolarHBondContact OD1-NZ 3.49Å
95F93.9Very high90.4Very high15 Ų1555.6 Ų55.67%0.06629%0.294CS..  trans-85.396.6-179.5-68-76.7000109.7F63 V65 A68 I74 L89 V93 V219 L220F63-F95 HydrophobicContact CB-CD1 4.37Å; F63-F95 HydrophobicContact CD1-CB 3.89Å; V65-F95 HydrophobicContact CB-CE1 4.35Å; V65-F95 HydrophobicContact CG2-CD1 3.96Å; V65-F95 HydrophobicContact CG2-CE1 3.89Å; V65-F95 HydrophobicContact CG2-CZ 4.48Å; A68-F95 HydrophobicContact CB-CE1 3.93Å; A68-F95 HydrophobicContact CB-CZ 3.99Å; I74-F95 HydrophobicContact CD1-CZ 3.94Å; I74-F95 HydrophobicContact CG2-CE2 4.04Å; I74-F95 HydrophobicContact CG2-CZ 3.85Å; L89-F95 HydrophobicContact CD2-CD2 3.99Å; L89-F95 HydrophobicContact CD2-CE2 4.18Å; L89-F95 HydrophobicContact CG-CD2 4.15Å; L89-F95 HydrophobicContact CG-CE2 3.86Å; V93-F95 HydrophobicContact CB-CD2 4.42Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.38Å; V93-F95 HydrophobicContact CG1-CD2 4.15Å; V93-F95 HydrophobicContact CG1-CE1 3.9Å; V93-F95 HydrophobicContact CG1-CE2 3.64Å; V93-F95 HydrophobicContact CG1-CG 4.48Å; V93-F95 HydrophobicContact CG1-CZ 3.49Å; V93-F95 VanDerWaalsContact CG1-CZ 3.49Å; F95-V219 WeakPolarHBondContact O-CA 3.16Å; F95-L220 HydrophobicContact CB-CB 4.1Å; F95-L220 HydrophobicContact CB-CD1 4.03Å; F95-L220 HydrophobicContact CB-CG 4.18Å; F95-L220 PolarHBondContact O-N 2.82Å; F95-L220 VanDerWaalsContact O-N 3.17Å
96R94.6Very high90.1Very high86 Ų8653 Ų5333%0.32528%0.28SS..EExtended strand (participates in β ladder)trans-133.8140.3175.667.6172.877.4-168.76.2111.9D94 F217 A218 V219D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 IonicContact OD1-NE 3.13Å; D94-R96 IonicContact OD1-NH2 2.64Å; D94-R96 IonicContact OD2-CZ 2.99Å; D94-R96 IonicContact OD2-NE 3.17Å; D94-R96 PolarHBondContact OD2-NE 3.26Å; D94-R96 IonicContact OD2-NH2 3.95Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å; R96-F217 HydrophobicContact CB-CB 4.31Å; R96-F217 HydrophobicContact CB-CD1 4.23Å; R96-F217 HydrophobicContact CB-CG 4.49Å; R96-F217 HydrophobicContact CG-CD1 4.22Å; R96-A218 CarbonylContact C-O 3.6Å; R96-A218 WeakPolarHBondContact CA-O 3.46Å; R96-V219 HydrophobicContact CB-CG1 3.68Å
97I95.4Very high89.9Confident23 Ų2354.5 Ų54.512%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-129.4135.6173.2-56176.9000108Q62 F63 T99 N101 L102 F217 A218Q62-I97 HydrophobicContact CB-CD1 4.2Å; Q62-I97 VanDerWaalsContact O-CD1 3.25Å; Q62-I97 WeakPolarHBondContact O-CD1 3.47Å; F63-I97 HydrophobicContact CB-CD1 4.3Å; F63-I97 HydrophobicContact CD1-CD1 3.82Å; F63-I97 HydrophobicContact CD1-CG1 3.72Å; F63-I97 HydrophobicContact CD2-CD1 3.74Å; F63-I97 HydrophobicContact CD2-CG1 4.49Å; F63-I97 HydrophobicContact CE1-CB 4.4Å; F63-I97 HydrophobicContact CE1-CD1 4.07Å; F63-I97 HydrophobicContact CE1-CG1 3.79Å; F63-I97 HydrophobicContact CE2-CD1 3.98Å; F63-I97 HydrophobicContact CG-CD1 3.67Å; F63-I97 HydrophobicContact CG-CG1 4.11Å; F63-I97 HydrophobicContact CZ-CD1 4.16Å; F63-I97 HydrophobicContact CZ-CG1 4.23Å; I97-T99 PolarHBondContact O-N 2.77Å; I97-N101 HydrophobicContact CG2-CB 4.31Å; I97-L102 HydrophobicContact CB-CD1 4.07Å; I97-L102 HydrophobicContact CB-CG 4.34Å; I97-L102 HydrophobicContact CD1-CD1 4.08Å; I97-L102 HydrophobicContact CD1-CD2 4.16Å; I97-L102 HydrophobicContact CD1-CG 4.46Å; I97-L102 HydrophobicContact CG2-CD1 4.08Å; I97-L102 HydrophobicContact CG2-CD2 4.07Å; I97-L102 HydrophobicContact CG2-CG 3.78Å; I97-F217 CarbonylContact O-C 3.6Å; I97-F217 VanDerWaalsContact O-CA 3.26Å; I97-F217 WeakPolarHBondContact O-CA 3.15Å; I97-A218 PolarHBondContact N-O 2.96Å; I97-A218 PolarHBondContact O-N 3.21Å
98P96.1Very high89.7Confident41 Ų4153.9 Ų53.927%0.26629%0.288SS..EExtended strand (participates in β ladder)trans-53.7126.9173.3-2533.8000111R100 N101 G216 F217P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 HydrophobicContact CB-CG 4.22Å; P98-R100 PolarHBondContact O-N 3.39Å; P98-N101 WeakPolarHBondContact O-CB 3.37Å; P98-N101 PolarHBondContact O-N 2.95Å; P98-G216 WeakPolarHBondContact CA-O 3.26Å; P98-F217 HydrophobicContact CG-CD1 4.31Å; P98-F217 HydrophobicContact CG-CE1 4.02Å
99T94.8Very high89.5Confident0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-57.9-42.8-174-56.70000111I97 N101 L102 Y103 I133 T214 G216 F217 A218I97-T99 PolarHBondContact O-N 2.77Å; T99-N101 PolarHBondContact O-N 2.78Å; T99-L102 PolarHBondContact O-N 2.98Å; T99-Y103 HydrophobicContact CG2-CD2 4.23Å; T99-Y103 CarbonylContact O-C 3.57Å; T99-Y103 PolarHBondContact O-N 3.02Å; T99-I133 HydrophobicContact CG2-CD1 4.2Å; T99-I133 HydrophobicContact CG2-CG2 3.67Å; T99-T214 WeakPolarHBondContact CB-O 3.19Å; T99-T214 HydrophobicContact CG2-CG2 4.2Å; T99-G216 PolarHBondContact N-O 3.3Å; T99-G216 PolarHBondContact OG1-O 2.8Å; T99-F217 VanDerWaalsContact OG1-CA 3.27Å; T99-F217 WeakPolarHBondContact OG1-CA 3.33Å; T99-F217 PolarHBondContact OG1-N 2.84Å; T99-A218 PolarHBondContact OG1-N 3.34Å
100R93.5Very high89.6Confident117 Ų11756.9 Ų56.944%0.44230%0.303SS..Hα-helixtrans-52.2-25.3174.675.1-176.585.5-123.61.6115.5P98 T214 D215P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 HydrophobicContact CB-CG 4.22Å; P98-R100 PolarHBondContact O-N 3.39Å; R100-T214 PolarHBondContact N-O 3.15Å; R100-D215 IonicContact CZ-OD1 3.93Å; R100-D215 IonicContact NH1-OD1 2.82Å; R100-D215 PolarHBondContact NH1-OD1 2.76Å; R100-D215 PolarHBondContact NH2-O 3.22Å; R100-D215 VanDerWaalsContact NH2-O 3.1Å; R100-D215 IonicContact NH2-OD1 3.8Å; R100-D215 PolarHBondContact NH2-OD1 3Å
101N91.9Very high90.2Very high106 Ų10656.5 Ų56.557%0.56730%0.297SS*.Hα-helixtrans-82.1-26.2179.9-67.3-4.2000112.5I97 P98 T99I97-N101 HydrophobicContact CG2-CB 4.31Å; P98-N101 WeakPolarHBondContact O-CB 3.37Å; P98-N101 PolarHBondContact O-N 2.95Å; T99-N101 PolarHBondContact O-N 2.78Å
102L89.1Confident91.3Very high26 Ų2650.7 Ų50.714%0.13627%0.267CS..Hα-helixtrans-97.9-44.9178.4-61.4-179.8000111.3Q62 F63 I97 T99 A218Q62-L102 HydrophobicContact CB-CD2 4.35Å; Q62-L102 HydrophobicContact CG-CD2 4.41Å; F63-L102 HydrophobicContact CE2-CD1 4.44Å; I97-L102 HydrophobicContact CB-CD1 4.07Å; I97-L102 HydrophobicContact CB-CG 4.34Å; I97-L102 HydrophobicContact CD1-CD1 4.08Å; I97-L102 HydrophobicContact CD1-CD2 4.16Å; I97-L102 HydrophobicContact CD1-CG 4.46Å; I97-L102 HydrophobicContact CG2-CD1 4.08Å; I97-L102 HydrophobicContact CG2-CD2 4.07Å; I97-L102 HydrophobicContact CG2-CG 3.78Å; T99-L102 PolarHBondContact O-N 2.98Å; L102-A218 HydrophobicContact CD1-CB 3.84Å
103Y90.6Very high92.5Very high1 Ų143.7 Ų43.70%0.00423%0.229CC..  trans-133.967.7-167.1-47-55.9000109.1L43 T99 S105 G106 L107 W131 I133 T214 A218 I240L43-Y103 HydrophobicContact CD1-CD1 3.8Å; L43-Y103 HydrophobicContact CD1-CE1 4.12Å; L43-Y103 HydrophobicContact CD2-CD1 3.53Å; L43-Y103 HydrophobicContact CD2-CE1 3.76Å; L43-Y103 HydrophobicContact CG-CD1 4.32Å; T99-Y103 HydrophobicContact CG2-CD2 4.23Å; T99-Y103 CarbonylContact O-C 3.57Å; T99-Y103 PolarHBondContact O-N 3.02Å; Y103-S105 PolarHBondContact O-N 3.27Å; Y103-G106 PolarHBondContact O-N 3.24Å; Y103-G106 VanDerWaalsContact O-N 3.07Å; Y103-L107 HydrophobicContact CD1-CD2 3.85Å; Y103-L107 HydrophobicContact CD2-CD2 4.14Å; Y103-L107 HydrophobicContact CE1-CD2 3.93Å; Y103-L107 HydrophobicContact CE2-CD2 4.22Å; Y103-L107 HydrophobicContact CG-CD2 3.97Å; Y103-W131 HydrophobicContact CE2-CZ2 4.18Å; Y103-I133 HydrophobicContact CD2-CD1 3.71Å; Y103-I133 HydrophobicContact CE2-CD1 4.08Å; Y103-T214 WeakPolarHBondContact O-CG2 3.33Å; Y103-A218 HydrophobicContact CE2-CB 4.43Å; Y103-I240 WeakPolarHBondContact OH-CD1 3.43Å
104P88.8Confident93.2Very high67 Ų6741.9 Ų41.944%0.43522%0.218SC..THydrogen-bonded Turntrans-59.6-36.7-176.923.5-33.1000112.4
105S88.4Confident93.6Very high98 Ų9838.7 Ų38.769%0.68520%0.201SC*.THydrogen-bonded Turntrans-98.712.7177.8-47.40000113Y103Y103-S105 PolarHBondContact O-N 3.27Å
106G89.6Confident93.8Very high7 Ų738 Ų387%0.07220%0.198CC..  trans80.3-166.8-170.400000113.6Y103Y103-G106 PolarHBondContact O-N 3.24Å; Y103-G106 VanDerWaalsContact O-N 3.07Å
107L92.8Very high94Very high32 Ų3233.9 Ų33.917%0.16818%0.182CC..SBendtrans-85.4149.4177.5-63.6170.1000110.3L43 Y103 Y111 W131 I133 V142 I212L43-L107 HydrophobicContact CD2-CD2 4.42Å; Y103-L107 HydrophobicContact CD1-CD2 3.85Å; Y103-L107 HydrophobicContact CD2-CD2 4.14Å; Y103-L107 HydrophobicContact CE1-CD2 3.93Å; Y103-L107 HydrophobicContact CE2-CD2 4.22Å; Y103-L107 HydrophobicContact CG-CD2 3.97Å; L107-Y111 HydrophobicContact CB-CE1 4.15Å; L107-Y111 HydrophobicContact CD1-CE1 4.25Å; L107-W131 HydrophobicContact CD1-CH2 3.77Å; L107-W131 HydrophobicContact CD2-CH2 4.33Å; L107-I133 HydrophobicContact CD1-CD1 3.92Å; L107-I133 HydrophobicContact CD2-CD1 4.23Å; L107-I133 HydrophobicContact CG-CD1 3.99Å; L107-V142 HydrophobicContact CD1-CB 4.17Å; L107-V142 HydrophobicContact CD1-CG1 3.87Å; L107-V142 HydrophobicContact CD1-CG2 4.11Å; L107-I212 HydrophobicContact CG-CD1 4.35Å
108P92.7Very high94.1Very high20 Ų2036.1 Ų36.113%0.1319%0.189CC..  trans-62159.4175.731.2-41.9000111.5L43 C44 E110 Y111L43-P108 VanDerWaalsContact CD2-CD 3.42Å; L43-P108 HydrophobicContact CD2-CG 4.31Å; C44-P108 HydrophobicContact CB-CB 4.08Å; C44-P108 HydrophobicContact CB-CG 4.45Å; C44-P108 VanDerWaalsContact SG-CG 3.57Å; P108-E110 WeakPolarHBondContact CG-O 3.4Å; P108-E110 PolarHBondContact O-N 3.13Å; P108-Y111 HydrophobicContact CG-CD1 3.94Å; P108-Y111 HydrophobicContact CG-CG 4.22Å; P108-Y111 WeakPolarHBondContact O-CD1 3.27Å
109E91.8Very high94.1Very high93 Ų9334.3 Ų34.344%0.43518%0.177SC..SBendtrans-62.8-25.5172.4-170.9177-153.900111.5R189 R209E109-R189 IonicContact OE1-CZ 2.72Å; E109-R189 VanDerWaalsContact OE1-CZ 3.31Å; E109-R189 IonicContact OE1-NE 2.81Å; E109-R189 IonicContact OE1-NH1 3.15Å; E109-R189 PolarHBondContact OE1-NH1 2.79Å; E109-R189 IonicContact OE1-NH2 3.9Å; E109-R189 IonicContact OE2-CZ 2.73Å; E109-R189 IonicContact OE2-NH1 2.65Å; E109-R189 PolarHBondContact OE2-NH1 3.47Å; E109-R189 IonicContact OE2-NH2 2.71Å; E109-R189 PolarHBondContact OE2-NH2 3.04Å; E109-R209 PolarHBondContact O-NH1 2.97Å; E109-R209 PolarHBondContact O-NH2 2.83Å
110E94.1Very high94.1Very high75 Ų7537.4 Ų37.435%0.3520%0.197SC..SBendtrans-136.3132.3177.3-61.1-175.7133.200109.4P108 V187 R189 P244P108-E110 WeakPolarHBondContact CG-O 3.4Å; P108-E110 PolarHBondContact O-N 3.13Å; E110-V187 WeakPolarHBondContact CA-O 3.31Å; E110-R189 PolarHBondContact OE1-N 3.31Å; E110-P244 HydrophobicContact CB-CB 4.32Å; E110-P244 HydrophobicContact CB-CG 4.03Å
111Y96.1Very high94.1Very high5 Ų534.4 Ų34.42%0.0220%0.202CC..EExtended strand (participates in β ladder)trans-164.1170.7177.864.2-84.4000110L107 P108 F155 V187 I240 H241L107-Y111 HydrophobicContact CB-CE1 4.15Å; L107-Y111 HydrophobicContact CD1-CE1 4.25Å; P108-Y111 HydrophobicContact CG-CD1 3.94Å; P108-Y111 HydrophobicContact CG-CG 4.22Å; P108-Y111 WeakPolarHBondContact O-CD1 3.27Å; Y111-F155 WeakPolarHBondContact OH-CE2 3.2Å; Y111-V187 HydrophobicContact CD1-CB 4.3Å; Y111-V187 HydrophobicContact CD2-CG2 4.46Å; Y111-V187 HydrophobicContact CE1-CB 4.12Å; Y111-V187 HydrophobicContact CE1-CG1 4.15Å; Y111-V187 HydrophobicContact CE1-CG2 4.35Å; Y111-V187 HydrophobicContact CE2-CB 4.44Å; Y111-V187 HydrophobicContact CE2-CG2 3.96Å; Y111-V187 PolarHBondContact N-O 3.11Å; Y111-V187 CarbonylContact O-C 3.58Å; Y111-V187 WeakPolarHBondContact O-CA 3.36Å; Y111-V187 WeakPolarHBondContact O-CB 3.25Å; Y111-V187 PolarHBondContact O-N 3.32Å; Y111-V187 VanDerWaalsContact O-O 3.08Å; Y111-I240 HydrophobicContact CD2-CG2 4.19Å; Y111-H241 CarbonylContact C-O 3.52Å; Y111-H241 VanDerWaalsContact CA-O 3.28Å; Y111-H241 WeakPolarHBondContact CA-O 3.15Å; Y111-H241 WeakPolarHBondContact CB-O 3.41Å
112S97.4Very high94.1Very high0 Ų033.1 Ų33.10%020%0.201CC..EExtended strand (participates in β ladder)trans-125.4147.7165.7550000111.1I185 I240 H241 D243 R246S112-I185 CarbonylContact C-O 3.5Å; S112-I185 WeakPolarHBondContact CA-O 3.3Å; S112-I240 CarbonylContact O-C 3.59Å; S112-I240 WeakPolarHBondContact O-CA 3.47Å; S112-H241 PolarHBondContact N-O 3.01Å; S112-H241 PolarHBondContact O-N 2.9Å; S112-D243 WeakPolarHBondContact CB-O 3.07Å; S112-D243 PolarHBondContact OG-O 2.96Å; S112-R246 WeakPolarHBondContact OG-CB 3.32Å
113F98.3Very high94.4Very high0 Ų032 Ų320%020%0.195CC..EExtended strand (participates in β ladder)trans-111.6131.3170.5174.9-87.1000108.5L59 T115 I130 W131 I144 M184 I185 M238 L239 I240L59-F113 HydrophobicContact CD2-CE2 4.48Å; F113-T115 HydrophobicContact CD1-CG2 4.4Å; F113-T115 HydrophobicContact CE1-CG2 3.42Å; F113-T115 VanDerWaalsContact CE1-CG2 3.42Å; F113-T115 HydrophobicContact CZ-CG2 3.95Å; F113-I130 HydrophobicContact CE1-CG2 4.39Å; F113-I130 HydrophobicContact CZ-CG2 4.29Å; F113-W131 HydrophobicContact CD2-CD2 4.4Å; F113-W131 HydrophobicContact CD2-CE3 4.24Å; F113-W131 HydrophobicContact CE2-CB 3.68Å; F113-W131 HydrophobicContact CE2-CD2 4.02Å; F113-W131 HydrophobicContact CE2-CE3 4.18Å; F113-W131 AromaticContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CZ-CB 3.83Å; F113-W131 HydrophobicContact CZ-CG 4.46Å; F113-I144 HydrophobicContact CB-CD1 3.63Å; F113-I144 HydrophobicContact CD1-CD1 3.04Å; F113-I144 HydrophobicContact CD1-CG1 4.48Å; F113-I144 HydrophobicContact CD2-CD1 3.77Å; F113-I144 HydrophobicContact CE1-CD1 3.45Å; F113-I144 VanDerWaalsContact CE1-CD1 3.45Å; F113-I144 HydrophobicContact CE2-CD1 4.15Å; F113-I144 HydrophobicContact CG-CD1 3.19Å; F113-I144 HydrophobicContact CZ-CD1 4Å; F113-M184 CarbonylContact O-C 3.22Å; F113-M184 WeakPolarHBondContact O-CA 3.34Å; F113-I185 PolarHBondContact N-O 3.36Å; F113-I185 PolarHBondContact O-N 3.29Å; F113-M238 HydrophobicContact CE2-CG 3.85Å; F113-M238 HydrophobicContact CE2-SD 4.01Å; F113-M238 HydrophobicContact CZ-CE 4.1Å; F113-M238 HydrophobicContact CZ-CG 3.92Å; F113-M238 HydrophobicContact CZ-SD 4.04Å; F113-L239 WeakPolarHBondContact CA-O 3.31Å; F113-I240 HydrophobicContact CD2-CD1 4.3Å; F113-I240 HydrophobicContact CD2-CG1 3.81Å
114L98.2Very high94.7Very high0 Ų033.3 Ų33.30%020%0.202CC..EExtended strand (participates in β ladder)trans-129.7135.1179.8-58.487.2000108.7M184 W237 M238 L239 H241 R246 E250L114-M184 HydrophobicContact CB-CG 3.99Å; L114-M184 HydrophobicContact CD2-CB 4.49Å; L114-M184 HydrophobicContact CD2-CG 3.87Å; L114-M184 HydrophobicContact CD2-SD 3.65Å; L114-M184 HydrophobicContact CG-CB 4.07Å; L114-M184 HydrophobicContact CG-CG 3.77Å; L114-M184 HydrophobicContact CG-SD 4.22Å; L114-W237 HydrophobicContact CB-CE3 4.41Å; L114-W237 HydrophobicContact CB-CH2 4.04Å; L114-W237 HydrophobicContact CB-CZ3 3.77Å; L114-W237 HydrophobicContact CD2-CH2 3.79Å; L114-W237 HydrophobicContact CD2-CZ3 3.97Å; L114-M238 CarbonylContact O-C 3.55Å; L114-M238 WeakPolarHBondContact O-CA 3.47Å; L114-L239 HydrophobicContact CB-CB 4.41Å; L114-L239 HydrophobicContact CD1-CD2 4.34Å; L114-L239 HydrophobicContact CD1-CG 4.48Å; L114-L239 PolarHBondContact N-O 2.83Å; L114-L239 PolarHBondContact O-N 2.87Å; L114-H241 HydrophobicContact CD1-CB 4.34Å; L114-R246 HydrophobicContact CD1-CG 4.21Å; L114-R246 HydrophobicContact CD2-CG 4.25Å; L114-E250 HydrophobicContact CD2-CB 4.47Å; L114-E250 HydrophobicContact CD2-CG 4.32Å
115T98.3Very high95Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-150.7139.4172.3-171.80000112.6F113 F117 I130 K182 I183 L235 W237F113-T115 HydrophobicContact CD1-CG2 4.4Å; F113-T115 HydrophobicContact CE1-CG2 3.42Å; F113-T115 VanDerWaalsContact CE1-CG2 3.42Å; F113-T115 HydrophobicContact CZ-CG2 3.95Å; T115-F117 HydrophobicContact CG2-CD1 4.04Å; T115-I130 HydrophobicContact CG2-CD1 3.81Å; T115-K182 CarbonylContact O-C 3.39Å; T115-K182 WeakPolarHBondContact O-CA 3.49Å; T115-I183 HydrophobicContact CG2-CD1 3.98Å; T115-I183 HydrophobicContact CG2-CG1 3.47Å; T115-I183 VanDerWaalsContact CG2-CG1 3.47Å; T115-I183 PolarHBondContact N-O 3.32Å; T115-I183 PolarHBondContact O-N 3.02Å; T115-L235 WeakPolarHBondContact OG1-CD1 3.43Å; T115-W237 CarbonylContact C-O 3.47Å; T115-W237 WeakPolarHBondContact CA-O 3.46Å; T115-W237 WeakPolarHBondContact CB-O 3.34Å; T115-W237 PolarHBondContact OG1-O 2.81Å
116T98.1Very high95.4Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-108.3118.1171.1-54.40000108.6W180 H181 K182 Q236 W237 L255T116-W180 HydrophobicContact CG2-CE3 4.06Å; T116-H181 CarbonylContact C-O 3.6Å; T116-H181 VanDerWaalsContact CA-O 3.31Å; T116-H181 WeakPolarHBondContact CA-O 3.21Å; T116-K182 VanDerWaalsContact OG1-CE 3.32Å; T116-K182 WeakPolarHBondContact OG1-CE 3.43Å; T116-Q236 HydrophobicContact CG2-CB 4.15Å; T116-Q236 PolarHBondContact O-N 3.11Å; T116-W237 PolarHBondContact N-O 2.85Å; T116-W237 PolarHBondContact O-N 2.65Å; T116-L255 HydrophobicContact CG2-CD2 4.11Å
117F97.9Very high95.7Very high1 Ų137.5 Ų37.50%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-145165.5-174.376.1-77.5000111.7T115 M119 W128 I130 I146 L175 H181 I183 F233 E234 L235T115-F117 HydrophobicContact CG2-CD1 4.04Å; F117-M119 HydrophobicContact CD2-CG 4.46Å; F117-M119 HydrophobicContact CE2-CB 4.41Å; F117-M119 HydrophobicContact CE2-CE 4.19Å; F117-M119 HydrophobicContact CE2-CG 3.9Å; F117-M119 HydrophobicContact CE2-SD 4.04Å; F117-M119 HydrophobicContact CZ-CE 4.47Å; F117-W128 HydrophobicContact CD2-CH2 4.29Å; F117-W128 HydrophobicContact CE2-CH2 4.35Å; F117-W128 HydrophobicContact CE2-CZ2 4.19Å; F117-I130 HydrophobicContact CB-CD1 3.95Å; F117-I130 HydrophobicContact CD1-CD1 3.62Å; F117-I130 HydrophobicContact CD2-CD1 3.91Å; F117-I130 HydrophobicContact CE1-CD1 4.07Å; F117-I130 HydrophobicContact CE2-CD1 4.33Å; F117-I130 HydrophobicContact CG-CD1 3.54Å; F117-I130 HydrophobicContact CZ-CD1 4.41Å; F117-I146 HydrophobicContact CD2-CD1 4.47Å; F117-I146 HydrophobicContact CE1-CD1 4.15Å; F117-I146 HydrophobicContact CE2-CD1 3.58Å; F117-I146 HydrophobicContact CZ-CD1 3.39Å; F117-I146 HydrophobicContact CZ-CG1 4.48Å; F117-L175 HydrophobicContact CE1-CD1 4.41Å; F117-L175 HydrophobicContact CZ-CD1 4.09Å; F117-H181 PolarHBondContact N-O 3.07Å; F117-H181 PolarHBondContact O-N 2.96Å; F117-I183 HydrophobicContact CD1-CG1 4.41Å; F117-I183 HydrophobicContact CE1-CB 4.44Å; F117-I183 HydrophobicContact CE1-CD1 3.76Å; F117-I183 HydrophobicContact CE1-CG1 3.82Å; F117-I183 HydrophobicContact CE1-CG2 3.9Å; F117-I183 HydrophobicContact CZ-CD1 4.4Å; F117-F233 HydrophobicContact CB-CD2 4.22Å; F117-E234 CarbonylContact C-O 3.56Å; F117-E234 WeakPolarHBondContact CA-O 3.48Å; F117-E234 WeakPolarHBondContact CB-O 3.39Å; F117-L235 HydrophobicContact CB-CD1 4.41Å
118R97.2Very high95.9Very high69 Ų6936 Ų3626%0.2619%0.192SC..EExtended strand (participates in β ladder)trans-134.9132.8172179.2172.675.7161.86.1109.2T120 S178 W180 E234R118-T120 HydrophobicContact CG-CG2 4.02Å; R118-S178 WeakPolarHBondContact CD-O 3.27Å; R118-S178 WeakPolarHBondContact CG-O 3.45Å; R118-W180 HydrophobicContact CB-CD2 3.76Å; R118-W180 HydrophobicContact CB-CE3 3.82Å; R118-W180 HydrophobicContact CB-CG 4.28Å; R118-W180 HydrophobicContact CB-CH2 4.07Å; R118-W180 HydrophobicContact CB-CZ2 4.08Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; R118-E234 HydrophobicContact CB-CB 4.31Å; R118-E234 IonicContact CZ-OE1 3.96Å; R118-E234 IonicContact CZ-OE2 3.94Å; R118-E234 PolarHBondContact N-O 2.89Å; R118-E234 IonicContact NE-OE1 3.78Å; R118-E234 IonicContact NE-OE2 2.79Å; R118-E234 PolarHBondContact NE-OE2 3.2Å; R118-E234 IonicContact NH2-OE1 3.25Å; R118-E234 PolarHBondContact NH2-OE1 2.88Å; R118-E234 IonicContact NH2-OE2 3.43Å; R118-E234 PolarHBondContact NH2-OE2 2.89Å; R118-E234 PolarHBondContact O-N 3.38Å
119M96Very high96.1Very high3 Ų335.1 Ų35.12%0.01519%0.187CC..  trans-123.8140.6174.552.4173.1175.200109.5F117 T123 L124 W128 I146 L175 F176 S178F117-M119 HydrophobicContact CD2-CG 4.46Å; F117-M119 HydrophobicContact CE2-CB 4.41Å; F117-M119 HydrophobicContact CE2-CE 4.19Å; F117-M119 HydrophobicContact CE2-CG 3.9Å; F117-M119 HydrophobicContact CE2-SD 4.04Å; F117-M119 HydrophobicContact CZ-CE 4.47Å; M119-T123 HydrophobicContact CB-CG2 3.75Å; M119-L124 HydrophobicContact CE-CD2 4.17Å; M119-L124 HydrophobicContact CG-CD2 3.76Å; M119-L124 WeakPolarHBondContact O-CD2 3.49Å; M119-L124 HydrophobicContact SD-CD2 4.11Å; M119-W128 HydrophobicContact CB-CZ2 4.31Å; M119-W128 HydrophobicContact SD-CZ2 3.99Å; M119-I146 HydrophobicContact CE-CG2 3.94Å; M119-I146 HydrophobicContact SD-CG2 3.96Å; M119-L175 HydrophobicContact CE-CG 4.15Å; M119-L175 WeakPolarHBondContact CE-O 3.39Å; M119-F176 HydrophobicContact CE-CB 4.48Å; M119-F176 HydrophobicContact CE-CD1 3.32Å; M119-F176 HydrophobicContact CE-CD2 4.48Å; M119-F176 HydrophobicContact CE-CE1 3.49Å; M119-F176 VanDerWaalsContact CE-CE1 3.49Å; M119-F176 HydrophobicContact CE-CG 3.86Å; M119-F176 HydrophobicContact CE-CZ 4.16Å; M119-F176 HydrophobicContact SD-CD1 4.23Å; M119-F176 HydrophobicContact SD-CE1 4.29Å; M119-S178 WeakPolarHBondContact O-CA 3.41Å
120T94.4Very high96.4Very high66 Ų6630.7 Ų30.741%0.40517%0.166SC..  trans-140.4164.8-173.965.50000111.5R118 S122 T123R118-T120 HydrophobicContact CG-CG2 4.02Å; T120-S122 PolarHBondContact O-N 3.49Å; T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.03Å
121G93.6Very high96.6Very high53 Ų5327.1 Ų27.155%0.54615%0.149SC..G310 helixtrans60.4-130.517300000113.2T123 L124G121-T123 PolarHBondContact O-N 3.25Å; G121-L124 PolarHBondContact O-N 3.19Å
122S93.5Very high96.6Very high80 Ų8027.1 Ų27.156%0.55915%0.149SC*.G310 helixtrans-67.9-19.7-177.164.60000113.7T120 L124 K125 K126T120-S122 PolarHBondContact O-N 3.49Å; S122-L124 VanDerWaalsContact C-N 3.25Å; S122-L124 PolarHBondContact O-N 2.9Å; S122-K125 PolarHBondContact O-N 2.87Å; S122-K126 WeakPolarHBondContact O-CG 3.49Å
123T95.4Very high96.6Very high2 Ų227.1 Ų27.11%0.01215%0.149CC..G310 helixtrans-64.2-30.9178.8-61.70000112.4M119 T120 G121 K125 K126 W128 V231 P232M119-T123 HydrophobicContact CB-CG2 3.75Å; T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.03Å; G121-T123 PolarHBondContact O-N 3.25Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.1Å; T123-K126 PolarHBondContact O-N 2.95Å; T123-W128 HydrophobicContact CG2-CZ2 4.09Å; T123-V231 HydrophobicContact CG2-CG1 3.41Å; T123-V231 VanDerWaalsContact CG2-CG1 3.41Å; T123-P232 PolarHBondContact OG1-O 2.78Å
124L96.3Very high96.5Very high29 Ų2927.4 Ų27.415%0.15215%0.151CC..G310 helixtrans-60.5-22.5179.1-65.3170.6000113.9M119 G121 S122 G148 F176 S178M119-L124 HydrophobicContact CE-CD2 4.17Å; M119-L124 HydrophobicContact CG-CD2 3.76Å; M119-L124 WeakPolarHBondContact O-CD2 3.49Å; M119-L124 HydrophobicContact SD-CD2 4.11Å; G121-L124 PolarHBondContact O-N 3.19Å; S122-L124 VanDerWaalsContact C-N 3.25Å; S122-L124 PolarHBondContact O-N 2.9Å; L124-G148 WeakPolarHBondContact O-CA 3.49Å; L124-F176 HydrophobicContact CD2-CB 4.19Å; L124-F176 HydrophobicContact CD2-CD1 4.48Å; L124-F176 WeakPolarHBondContact O-CD1 3.49Å; L124-S178 WeakPolarHBondContact CD1-OG 3.42Å
125K95.8Very high96.3Very high168 Ų16828.1 Ų28.173%0.7315%0.154SC*.G310 helixtrans-104-0-179.2-60.5-174178.8-175.70113.1S122 T123S122-K125 PolarHBondContact O-N 2.87Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.1Å
126K96.1Very high96.1Very high70 Ų7032.6 Ų32.630%0.30419%0.186SC..  trans-90.6157.5-177.6-70.4179.2-173.81790111S122 T123 G148 L223 V231S122-K126 WeakPolarHBondContact O-CG 3.49Å; T123-K126 PolarHBondContact O-N 2.95Å; K126-G148 WeakPolarHBondContact O-CA 3.37Å; K126-G148 PolarHBondContact O-N 3.35Å; K126-L223 HydrophobicContact CB-CD1 4.21Å; K126-L223 HydrophobicContact CD-CD1 4.25Å; K126-L223 HydrophobicContact CG-CD1 4.45Å; K126-V231 HydrophobicContact CD-CG1 4.24Å; K126-V231 HydrophobicContact CD-CG2 4.47Å
127N96.7Very high95.8Very high22 Ų2237 Ų3712%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-106.7115.5171.2-59.7-12.1000107.8I146 N147 G148 Q149 L223 A224N127-I146 WeakPolarHBondContact CA-O 3.26Å; N127-N147 VanDerWaalsContact OD1-CG 3.29Å; N127-N147 PolarHBondContact OD1-OD1 3.49Å; N127-G148 PolarHBondContact OD1-N 3.02Å; N127-Q149 VanDerWaalsContact ND2-CD 3.35Å; N127-Q149 PolarHBondContact ND2-OE1 2.88Å; N127-Q149 PolarHBondContact OD1-N 3.22Å; N127-L223 WeakPolarHBondContact O-CD1 3.32Å; N127-A224 HydrophobicContact CB-CB 4.28Å; N127-A224 WeakPolarHBondContact O-CB 3.39Å; N127-A224 PolarHBondContact O-N 2.81Å
128W96.6Very high95.4Very high0 Ų037.7 Ų37.70%022%0.224CC..EExtended strand (participates in β ladder)trans-152.7152.4-169.163.9-74.2000111.7F117 M119 T123 I130 K145 I146 K222 V231 F233F117-W128 HydrophobicContact CD2-CH2 4.29Å; F117-W128 HydrophobicContact CE2-CH2 4.35Å; F117-W128 HydrophobicContact CE2-CZ2 4.19Å; M119-W128 HydrophobicContact CB-CZ2 4.31Å; M119-W128 HydrophobicContact SD-CZ2 3.99Å; T123-W128 HydrophobicContact CG2-CZ2 4.09Å; W128-I130 HydrophobicContact CE3-CB 4.39Å; W128-I130 HydrophobicContact CH2-CB 4.14Å; W128-I130 HydrophobicContact CH2-CD1 4.08Å; W128-I130 HydrophobicContact CH2-CG1 4.06Å; W128-I130 HydrophobicContact CZ3-CB 3.76Å; W128-I130 HydrophobicContact CZ3-CD1 4.41Å; W128-I130 HydrophobicContact CZ3-CG1 3.88Å; W128-K145 CarbonylContact O-C 3.48Å; W128-K145 WeakPolarHBondContact O-CA 3.46Å; W128-I146 HydrophobicContact CH2-CD1 3.8Å; W128-I146 HydrophobicContact CZ2-CB 4.36Å; W128-I146 HydrophobicContact CZ2-CD1 3.52Å; W128-I146 HydrophobicContact CZ2-CG2 4.47Å; W128-I146 HydrophobicContact CZ3-CD1 4.49Å; W128-I146 PolarHBondContact N-O 3.49Å; W128-I146 PolarHBondContact O-N 3.31Å; W128-K222 CarbonylContact C-O 3.53Å; W128-K222 VanDerWaalsContact CA-O 3.32Å; W128-K222 WeakPolarHBondContact CA-O 2.99Å; W128-K222 WeakPolarHBondContact CB-O 3.36Å; W128-V231 HydrophobicContact CB-CB 4.26Å; W128-V231 HydrophobicContact CB-CG1 4.39Å; W128-V231 HydrophobicContact CB-CG2 3.72Å; W128-V231 HydrophobicContact CD2-CB 4.3Å; W128-V231 HydrophobicContact CD2-CG1 3.99Å; W128-V231 HydrophobicContact CE3-CB 4.3Å; W128-V231 HydrophobicContact CE3-CG1 4.35Å; W128-V231 HydrophobicContact CG-CB 4.3Å; W128-V231 HydrophobicContact CG-CG1 4Å; W128-V231 HydrophobicContact CG-CG2 4.22Å; W128-F233 HydrophobicContact CH2-CB 3.89Å; W128-F233 HydrophobicContact CH2-CD1 4.03Å; W128-F233 AromaticContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CE2 4.34Å; W128-F233 AromaticContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CZ2-CB 4.44Å; W128-F233 HydrophobicContact CZ3-CB 4.46Å; W128-F233 AromaticContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD2 4.19Å; W128-F233 AromaticContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE2 4.34Å; W128-F233 AromaticContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CZ 4.25Å
129N97.1Very high95.2Very high1 Ų140.1 Ų40.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-97.3118.1177.8-69.4-45000109.1W131 Q132 I144 K145 G221 K222N129-W131 VanDerWaalsContact C-N 3.3Å; N129-Q132 HydrophobicContact CB-CB 4.12Å; N129-Q132 HydrophobicContact CB-CG 4.32Å; N129-Q132 PolarHBondContact ND2-OE1 3.46Å; N129-I144 WeakPolarHBondContact CA-O 3.45Å; N129-K145 WeakPolarHBondContact OD1-CA 3.12Å; N129-K145 WeakPolarHBondContact OD1-CB 3.48Å; N129-K145 WeakPolarHBondContact OD1-CG 3.39Å; N129-G221 CarbonylContact O-C 3.59Å; N129-G221 WeakPolarHBondContact O-CA 3.41Å; N129-G221 PolarHBondContact O-N 2.58Å; N129-G221 VanDerWaalsContact O-N 3.15Å; N129-K222 PolarHBondContact N-O 3.04Å; N129-K222 PolarHBondContact O-N 3Å
130I97.3Very high95.2Very high0 Ų041.2 Ų41.20%024%0.242CC..EExtended strand (participates in β ladder)trans-68.9-37177.3-169.7161.9000110.7F113 T115 F117 W128 I144 I146 L220 G221 F233 M238F113-I130 HydrophobicContact CE1-CG2 4.39Å; F113-I130 HydrophobicContact CZ-CG2 4.29Å; T115-I130 HydrophobicContact CG2-CD1 3.81Å; F117-I130 HydrophobicContact CB-CD1 3.95Å; F117-I130 HydrophobicContact CD1-CD1 3.62Å; F117-I130 HydrophobicContact CD2-CD1 3.91Å; F117-I130 HydrophobicContact CE1-CD1 4.07Å; F117-I130 HydrophobicContact CE2-CD1 4.33Å; F117-I130 HydrophobicContact CG-CD1 3.54Å; F117-I130 HydrophobicContact CZ-CD1 4.41Å; W128-I130 HydrophobicContact CE3-CB 4.39Å; W128-I130 HydrophobicContact CH2-CB 4.14Å; W128-I130 HydrophobicContact CH2-CD1 4.08Å; W128-I130 HydrophobicContact CH2-CG1 4.06Å; W128-I130 HydrophobicContact CZ3-CB 3.76Å; W128-I130 HydrophobicContact CZ3-CD1 4.41Å; W128-I130 HydrophobicContact CZ3-CG1 3.88Å; I130-I144 HydrophobicContact CG2-CB 4.04Å; I130-I144 HydrophobicContact CG2-CG2 3.87Å; I130-I144 PolarHBondContact N-O 3.42Å; I130-I146 HydrophobicContact CB-CD1 3.93Å; I130-I146 HydrophobicContact CD1-CD1 4.03Å; I130-I146 HydrophobicContact CG2-CD1 4.28Å; I130-L220 WeakPolarHBondContact O-CA 3.39Å; I130-G221 PolarHBondContact O-N 2.94Å; I130-F233 HydrophobicContact CD1-CE2 4.15Å; I130-F233 HydrophobicContact CG1-CE2 4.01Å; I130-F233 HydrophobicContact CG1-CZ 4.29Å; I130-M238 HydrophobicContact CD1-CE 4.49Å; I130-M238 HydrophobicContact CG1-CE 3.92Å
131W97.8Very high95.3Very high0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-146.3138.3171.3171.985.1000108.9L59 Y103 L107 F113 N129 I133 V142 G143 I144 L220 M238 I240L59-W131 HydrophobicContact CD2-CG 4.16Å; Y103-W131 HydrophobicContact CE2-CZ2 4.18Å; L107-W131 HydrophobicContact CD1-CH2 3.77Å; L107-W131 HydrophobicContact CD2-CH2 4.33Å; F113-W131 HydrophobicContact CD2-CD2 4.4Å; F113-W131 HydrophobicContact CD2-CE3 4.24Å; F113-W131 HydrophobicContact CE2-CB 3.68Å; F113-W131 HydrophobicContact CE2-CD2 4.02Å; F113-W131 HydrophobicContact CE2-CE3 4.18Å; F113-W131 AromaticContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CZ-CB 3.83Å; F113-W131 HydrophobicContact CZ-CG 4.46Å; N129-W131 VanDerWaalsContact C-N 3.3Å; W131-I133 HydrophobicContact CH2-CD1 4.13Å; W131-I133 HydrophobicContact CH2-CG1 4.17Å; W131-I133 HydrophobicContact CZ2-CD1 4.02Å; W131-I133 HydrophobicContact CZ2-CG1 3.86Å; W131-V142 HydrophobicContact CH2-CG1 4.41Å; W131-V142 HydrophobicContact CZ3-CG1 4.07Å; W131-G143 WeakPolarHBondContact O-CA 3.47Å; W131-I144 HydrophobicContact CE3-CD1 4.42Å; W131-I144 HydrophobicContact CE3-CG1 4.49Å; W131-I144 PolarHBondContact O-N 3.48Å; W131-L220 HydrophobicContact CB-CD2 4.21Å; W131-L220 HydrophobicContact CG-CD2 4.38Å; W131-M238 HydrophobicContact CB-SD 4.21Å; W131-I240 HydrophobicContact CH2-CD1 3.87Å; W131-I240 HydrophobicContact CZ2-CD1 3.53Å
132Q97Very high95.5Very high5 Ų536.3 Ų36.32%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-150.9157.5172.370.7-176.936.500111.6N129 V142 A218 V219N129-Q132 HydrophobicContact CB-CB 4.12Å; N129-Q132 HydrophobicContact CB-CG 4.32Å; N129-Q132 PolarHBondContact ND2-OE1 3.46Å; Q132-V142 CarbonylContact C-O 3.51Å; Q132-V142 VanDerWaalsContact CA-O 3.26Å; Q132-V142 WeakPolarHBondContact CA-O 3.38Å; Q132-V142 WeakPolarHBondContact CB-O 3.38Å; Q132-A218 CarbonylContact O-C 3.46Å; Q132-A218 WeakPolarHBondContact O-CA 3.32Å; Q132-V219 HydrophobicContact CG-CG2 3.31Å; Q132-V219 PolarHBondContact N-O 2.91Å; Q132-V219 VanDerWaalsContact N-O 3.1Å; Q132-V219 PolarHBondContact O-N 3.28Å
133I97.4Very high95.6Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-102.2125.9160.4-63176.1000107.2T99 Y103 L107 W131 Q141 V142 I212 A218T99-I133 HydrophobicContact CG2-CD1 4.2Å; T99-I133 HydrophobicContact CG2-CG2 3.67Å; Y103-I133 HydrophobicContact CD2-CD1 3.71Å; Y103-I133 HydrophobicContact CE2-CD1 4.08Å; L107-I133 HydrophobicContact CD1-CD1 3.92Å; L107-I133 HydrophobicContact CD2-CD1 4.23Å; L107-I133 HydrophobicContact CG-CD1 3.99Å; W131-I133 HydrophobicContact CH2-CD1 4.13Å; W131-I133 HydrophobicContact CH2-CG1 4.17Å; W131-I133 HydrophobicContact CZ2-CD1 4.02Å; W131-I133 HydrophobicContact CZ2-CG1 3.86Å; I133-Q141 HydrophobicContact CB-CB 4.47Å; I133-Q141 HydrophobicContact CG2-CB 4.14Å; I133-Q141 HydrophobicContact CG2-CG 4.4Å; I133-Q141 PolarHBondContact O-N 3.17Å; I133-V142 PolarHBondContact N-O 3.06Å; I133-V142 PolarHBondContact O-N 2.92Å; I133-I212 HydrophobicContact CD1-CD1 3.85Å; I133-I212 HydrophobicContact CG2-CD1 4.44Å; I133-A218 HydrophobicContact CG1-CB 4.36Å
134Q95.8Very high95.8Very high6 Ų632.5 Ų32.53%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-118.2150.4172.962.6-175.351.500110.1K139 G216 F217 V219Q134-K139 CarbonylContact C-O 3.59Å; Q134-K139 VanDerWaalsContact CA-O 3.27Å; Q134-K139 WeakPolarHBondContact CA-O 2.97Å; Q134-G216 CarbonylContact O-C 3.5Å; Q134-G216 VanDerWaalsContact O-CA 3.23Å; Q134-G216 WeakPolarHBondContact O-CA 3.41Å; Q134-F217 HydrophobicContact CG-CB 4.44Å; Q134-F217 WeakPolarHBondContact CG-O 3.33Å; Q134-F217 PolarHBondContact N-O 2.89Å; Q134-F217 PolarHBondContact O-N 2.79Å; Q134-V219 HydrophobicContact CG-CG1 4.41Å
135D94.8Very high95.8Very high15 Ų1533.4 Ų33.48%0.0818%0.176CC..  trans-74.7-177.7172.76428.4000112.2S137 G138 K139 Q141 D213 G216D135-S137 PolarHBondContact O-N 3.28Å; D135-S137 VanDerWaalsContact OD1-CA 3.31Å; D135-S137 WeakPolarHBondContact OD1-CA 3.49Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.61Å; D135-S137 PolarHBondContact OD1-OG 3.19Å; D135-S137 PolarHBondContact OD2-OG 3.46Å; D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 PolarHBondContact OD1-N 2.88Å; D135-K139 PolarHBondContact N-O 2.92Å; D135-K139 PolarHBondContact OD1-N 2.66Å; D135-K139 WeakPolarHBondContact OD2-CB 3.46Å; D135-Q141 HydrophobicContact CB-CG 4.29Å; D135-Q141 PolarHBondContact OD2-NE2 3.31Å; D135-D213 HydrophobicContact CB-CB 3.91Å; D135-D213 WeakPolarHBondContact CB-OD2 3.38Å; D135-G216 VanDerWaalsContact C-CA 3.46Å
136S93.9Very high95.9Very high94 Ų9425.4 Ų25.466%0.65714%0.142SC*.THydrogen-bonded Turntrans-60.9-24.7179.160.80000113.4
137S91.2Very high96Very high94 Ų9423.3 Ų23.366%0.65713%0.134SC*.THydrogen-bonded Turntrans-85.9-6.4175.9770000113.5D135D135-S137 PolarHBondContact O-N 3.28Å; D135-S137 VanDerWaalsContact OD1-CA 3.31Å; D135-S137 WeakPolarHBondContact OD1-CA 3.49Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.61Å; D135-S137 PolarHBondContact OD1-OG 3.19Å; D135-S137 PolarHBondContact OD2-OG 3.46Å
138G89.8Confident95.9Very high15 Ų1522.7 Ų22.716%0.15513%0.133CC..SBendtrans84.610.8-17700000114D135D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 PolarHBondContact OD1-N 2.88Å
139K92.9Very high95.6Very high120 Ų12029.7 Ų29.752%0.52217%0.165SC..  trans-82.9134.2176.7179.8-176.1-175177.50110.3Q134 D135 Q141Q134-K139 CarbonylContact C-O 3.59Å; Q134-K139 VanDerWaalsContact CA-O 3.27Å; Q134-K139 WeakPolarHBondContact CA-O 2.97Å; D135-K139 PolarHBondContact N-O 2.92Å; D135-K139 PolarHBondContact OD1-N 2.66Å; D135-K139 WeakPolarHBondContact OD2-CB 3.46Å; K139-Q141 PolarHBondContact O-N 2.84Å; K139-Q141 PolarHBondContact O-NE2 2.93Å
140E95.5Very high95.6Very high26 Ų2633.6 Ų33.612%0.12119%0.189CC..EExtended strand (participates in β ladder)trans-61.7130.6-178.3-168.2177.8174.600111.4G143 S156 L164E140-G143 WeakPolarHBondContact OE1-CA 3.43Å; E140-S156 WeakPolarHBondContact OE1-CB 3.45Å; E140-S156 PolarHBondContact OE1-OG 2.68Å; E140-L164 HydrophobicContact CB-CD2 4.31Å
141Q96.6Very high95.5Very high10 Ų1037.3 Ų37.35%0.04721%0.207CC..EExtended strand (participates in β ladder)trans-103.8-49.1173.3-58-63.3-52.800110.1I133 D135 K139 Y157 K158 I212 D213I133-Q141 HydrophobicContact CB-CB 4.47Å; I133-Q141 HydrophobicContact CG2-CB 4.14Å; I133-Q141 HydrophobicContact CG2-CG 4.4Å; I133-Q141 PolarHBondContact O-N 3.17Å; D135-Q141 HydrophobicContact CB-CG 4.29Å; D135-Q141 PolarHBondContact OD2-NE2 3.31Å; K139-Q141 PolarHBondContact O-N 2.84Å; K139-Q141 PolarHBondContact O-NE2 2.93Å; Q141-Y157 CarbonylContact O-C 3.59Å; Q141-Y157 WeakPolarHBondContact O-CA 3.45Å; Q141-K158 HydrophobicContact CB-CG 4.47Å; Q141-K158 PolarHBondContact O-N 3.05Å; Q141-K158 VanDerWaalsContact O-N 3.13Å; Q141-K158 VanDerWaalsContact OE1-CE 3.25Å; Q141-I212 HydrophobicContact CB-CB 4.11Å; Q141-I212 HydrophobicContact CB-CG2 4.31Å; Q141-D213 HydrophobicContact CG-CB 4.33Å; Q141-D213 VanDerWaalsContact OE1-N 3.14Å
142V97.5Very high95.5Very high6 Ų637.6 Ų37.64%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-143.8141.1175.2-178.40000107.6L107 W131 Q132 I133 F155 S156 I212L107-V142 HydrophobicContact CD1-CB 4.17Å; L107-V142 HydrophobicContact CD1-CG1 3.87Å; L107-V142 HydrophobicContact CD1-CG2 4.11Å; W131-V142 HydrophobicContact CH2-CG1 4.41Å; W131-V142 HydrophobicContact CZ3-CG1 4.07Å; Q132-V142 CarbonylContact C-O 3.51Å; Q132-V142 VanDerWaalsContact CA-O 3.26Å; Q132-V142 WeakPolarHBondContact CA-O 3.38Å; Q132-V142 WeakPolarHBondContact CB-O 3.38Å; I133-V142 PolarHBondContact N-O 3.06Å; I133-V142 PolarHBondContact O-N 2.92Å; V142-F155 HydrophobicContact CG1-CE2 3.79Å; V142-F155 HydrophobicContact CG1-CZ 4.38Å; V142-S156 CarbonylContact C-O 3.6Å; V142-S156 VanDerWaalsContact CA-O 3.27Å; V142-S156 WeakPolarHBondContact CA-O 3.37Å; V142-I212 HydrophobicContact CG2-CD1 4.48Å; V142-I212 HydrophobicContact CG2-CG2 3.74Å
143G96.9Very high95.6Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-165.6159.5179.500000114.1W131 E140 S156W131-G143 WeakPolarHBondContact O-CA 3.47Å; E140-G143 WeakPolarHBondContact OE1-CA 3.43Å; G143-S156 PolarHBondContact N-O 3.5Å; G143-S156 PolarHBondContact O-N 3.49Å
144I98.2Very high95.6Very high2 Ų237.6 Ų37.61%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-116.5107.8173.4-63172.9000107.1F113 N129 I130 W131 V153 F155 I183 I185F113-I144 HydrophobicContact CB-CD1 3.63Å; F113-I144 HydrophobicContact CD1-CD1 3.04Å; F113-I144 HydrophobicContact CD1-CG1 4.48Å; F113-I144 HydrophobicContact CD2-CD1 3.77Å; F113-I144 HydrophobicContact CE1-CD1 3.45Å; F113-I144 VanDerWaalsContact CE1-CD1 3.45Å; F113-I144 HydrophobicContact CE2-CD1 4.15Å; F113-I144 HydrophobicContact CG-CD1 3.19Å; F113-I144 HydrophobicContact CZ-CD1 4Å; N129-I144 WeakPolarHBondContact CA-O 3.45Å; I130-I144 HydrophobicContact CG2-CB 4.04Å; I130-I144 HydrophobicContact CG2-CG2 3.87Å; I130-I144 PolarHBondContact N-O 3.42Å; W131-I144 HydrophobicContact CE3-CD1 4.42Å; W131-I144 HydrophobicContact CE3-CG1 4.49Å; W131-I144 PolarHBondContact O-N 3.48Å; I144-V153 HydrophobicContact CG2-CG1 4.24Å; I144-F155 HydrophobicContact CG1-CD2 4.34Å; I144-I183 HydrophobicContact CG2-CD1 4.3Å; I144-I185 HydrophobicContact CD1-CD1 4.02Å; I144-I185 HydrophobicContact CG1-CD1 4.06Å; I144-I185 HydrophobicContact CG2-CD1 3.98Å
145K97.8Very high95.7Very high48 Ų4837.3 Ų37.321%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-98.9131.1-175-168.1161.858.4-164.60110.3W128 N129 V153 A154 A224W128-K145 CarbonylContact O-C 3.48Å; W128-K145 WeakPolarHBondContact O-CA 3.46Å; N129-K145 WeakPolarHBondContact OD1-CA 3.12Å; N129-K145 WeakPolarHBondContact OD1-CB 3.48Å; N129-K145 WeakPolarHBondContact OD1-CG 3.39Å; K145-V153 CarbonylContact O-C 3.58Å; K145-V153 WeakPolarHBondContact O-CA 3.38Å; K145-A154 HydrophobicContact CB-CB 4.26Å; K145-A154 PolarHBondContact N-O 2.84Å; K145-A154 PolarHBondContact O-N 2.9Å; K145-A224 HydrophobicContact CD-CB 4.01Å
146I97.9Very high95.9Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-104.4115.4169.4-62168.6000106.4F117 M119 N127 W128 I130 F176F117-I146 HydrophobicContact CD2-CD1 4.47Å; F117-I146 HydrophobicContact CE1-CD1 4.15Å; F117-I146 HydrophobicContact CE2-CD1 3.58Å; F117-I146 HydrophobicContact CZ-CD1 3.39Å; F117-I146 HydrophobicContact CZ-CG1 4.48Å; M119-I146 HydrophobicContact CE-CG2 3.94Å; M119-I146 HydrophobicContact SD-CG2 3.96Å; N127-I146 WeakPolarHBondContact CA-O 3.26Å; W128-I146 HydrophobicContact CH2-CD1 3.8Å; W128-I146 HydrophobicContact CZ2-CB 4.36Å; W128-I146 HydrophobicContact CZ2-CD1 3.52Å; W128-I146 HydrophobicContact CZ2-CG2 4.47Å; W128-I146 HydrophobicContact CZ3-CD1 4.49Å; W128-I146 PolarHBondContact N-O 3.49Å; W128-I146 PolarHBondContact O-N 3.31Å; I130-I146 HydrophobicContact CB-CD1 3.93Å; I130-I146 HydrophobicContact CD1-CD1 4.03Å; I130-I146 HydrophobicContact CG2-CD1 4.28Å; I146-F176 HydrophobicContact CG2-CE1 3.6Å; I146-F176 HydrophobicContact CG2-CZ 3.72Å
147N96.9Very high96Very high26 Ų2632.6 Ų32.614%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-105.4102.5-179.3-173.6-31.1000109.5N127 Q149 T150 Q151 S152 F176N127-N147 VanDerWaalsContact OD1-CG 3.29Å; N127-N147 PolarHBondContact OD1-OD1 3.49Å; N147-Q149 VanDerWaalsContact C-N 3.32Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N147-Q149 PolarHBondContact OD1-N 3.21Å; N147-T150 PolarHBondContact ND2-OG1 3.31Å; N147-T150 VanDerWaalsContact ND2-OG1 3.15Å; N147-T150 PolarHBondContact OD1-N 2.95Å; N147-T150 PolarHBondContact OD1-OG1 3.27Å; N147-Q151 VanDerWaalsContact O-CA 3.22Å; N147-Q151 WeakPolarHBondContact O-CA 3.45Å; N147-Q151 PolarHBondContact O-N 3.34Å; N147-S152 PolarHBondContact N-O 3.33Å; N147-S152 PolarHBondContact O-N 3.31Å; N147-F176 WeakPolarHBondContact O-CZ 3.39Å
148G94.3Very high96.3Very high9 Ų928.8 Ų28.89%0.09315%0.146CC..THydrogen-bonded Turntrans-72.8-20.9178.600000114.9L124 K126 N127 F176L124-G148 WeakPolarHBondContact O-CA 3.49Å; K126-G148 WeakPolarHBondContact O-CA 3.37Å; K126-G148 PolarHBondContact O-N 3.35Å; N127-G148 PolarHBondContact OD1-N 3.02Å; G148-F176 VanDerWaalsContact CA-CE1 3.44Å
149Q92.2Very high96.6Very high146 Ų14628.2 Ų28.268%0.68214%0.14SC*.THydrogen-bonded Turntrans-75.7-42.7178.7-65.5175.2-13.500111.6N127 N147N127-Q149 VanDerWaalsContact ND2-CD 3.35Å; N127-Q149 PolarHBondContact ND2-OE1 2.88Å; N127-Q149 PolarHBondContact OD1-N 3.22Å; N147-Q149 VanDerWaalsContact C-N 3.32Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N147-Q149 PolarHBondContact OD1-N 3.21Å
150T95.4Very high96.7Very high83 Ų8328.6 Ų28.651%0.50915%0.147SC..THydrogen-bonded Turntrans-98.21.1178.956.90000113.2N147 S152N147-T150 PolarHBondContact ND2-OG1 3.31Å; N147-T150 VanDerWaalsContact ND2-OG1 3.15Å; N147-T150 PolarHBondContact OD1-N 2.95Å; N147-T150 PolarHBondContact OD1-OG1 3.27Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.17Å
151Q96.4Very high96.6Very high79 Ų7933 Ų3337%0.36917%0.172SC..THydrogen-bonded Turntrans47.156.5-174.2-62-176.8-49.400111.9N147 L172 F176N147-Q151 VanDerWaalsContact O-CA 3.22Å; N147-Q151 WeakPolarHBondContact O-CA 3.45Å; N147-Q151 PolarHBondContact O-N 3.34Å; Q151-L172 WeakPolarHBondContact O-CB 3.4Å; Q151-L172 PolarHBondContact O-N 2.82Å; Q151-F176 VanDerWaalsContact C-CE2 3.42Å; Q151-F176 HydrophobicContact CB-CD2 3.76Å; Q151-F176 HydrophobicContact CB-CE2 3.82Å; Q151-F176 HydrophobicContact CB-CG 4.47Å; Q151-F176 HydrophobicContact CG-CD2 3.97Å; Q151-F176 HydrophobicContact CG-CE2 4.38Å; Q151-F176 HydrophobicContact CG-CG 4.2Å
152S97.6Very high96.4Very high6 Ų634.4 Ų34.44%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-135.8158.8-175.565.80000112.2N147 T150 F169N147-S152 PolarHBondContact N-O 3.33Å; N147-S152 PolarHBondContact O-N 3.31Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.17Å; S152-F169 VanDerWaalsContact CA-O 3.29Å; S152-F169 WeakPolarHBondContact CA-O 3.45Å; S152-F169 WeakPolarHBondContact CB-O 3.29Å
153V98.3Very high96.3Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-112.4136.1170.5174.10000107.4I144 K145 F169 L172 L175 I185 L194I144-V153 HydrophobicContact CG2-CG1 4.24Å; K145-V153 CarbonylContact O-C 3.58Å; K145-V153 WeakPolarHBondContact O-CA 3.38Å; V153-F169 PolarHBondContact N-O 2.76Å; V153-F169 WeakPolarHBondContact O-CA 3.43Å; V153-F169 WeakPolarHBondContact O-CB 3.27Å; V153-F169 WeakPolarHBondContact O-CD2 3.38Å; V153-F169 PolarHBondContact O-N 2.87Å; V153-L172 HydrophobicContact CB-CD1 3.89Å; V153-L172 HydrophobicContact CG2-CD1 3.68Å; V153-L175 HydrophobicContact CG2-CD2 3.43Å; V153-L175 VanDerWaalsContact CG2-CD2 3.43Å; V153-I185 HydrophobicContact CG1-CD1 4.24Å; V153-L194 HydrophobicContact CB-CD2 4.18Å; V153-L194 HydrophobicContact CG1-CD1 4.27Å
154A98Very high96.3Very high4 Ų439 Ų393%0.03322%0.216CC..EExtended strand (participates in β ladder)trans-130.1135.1178.900000111.5K145 T166 A167 A168K145-A154 HydrophobicContact CB-CB 4.26Å; K145-A154 PolarHBondContact N-O 2.84Å; K145-A154 PolarHBondContact O-N 2.9Å; A154-T166 HydrophobicContact CB-CG2 3.7Å; A154-A167 CarbonylContact C-O 3.57Å; A154-A167 VanDerWaalsContact CA-O 3.28Å; A154-A167 WeakPolarHBondContact CA-O 3.35Å; A154-A168 HydrophobicContact CB-CB 4.18Å
155F98.3Very high96.3Very high1 Ų140.8 Ų40.80%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-99.3113.7172172.4-121.4000109.3Y111 V142 I144 Y157 T166 A167 F169 I185 V187 A192 I206Y111-F155 WeakPolarHBondContact OH-CE2 3.2Å; V142-F155 HydrophobicContact CG1-CE2 3.79Å; V142-F155 HydrophobicContact CG1-CZ 4.38Å; I144-F155 HydrophobicContact CG1-CD2 4.34Å; F155-Y157 AromaticContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CE1 4.38Å; F155-Y157 AromaticContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CE1 4.31Å; F155-Y157 HydrophobicContact CE1-CG 4.09Å; F155-Y157 HydrophobicContact CZ-CD1 4.26Å; F155-Y157 HydrophobicContact CZ-CG 4.43Å; F155-T166 CarbonylContact O-C 3.5Å; F155-T166 WeakPolarHBondContact O-CA 3.34Å; F155-A167 PolarHBondContact N-O 3.17Å; F155-A167 PolarHBondContact O-N 2.77Å; F155-F169 HydrophobicContact CB-CE2 4.46Å; F155-I185 HydrophobicContact CB-CD1 4.3Å; F155-V187 HydrophobicContact CE1-CG1 4.02Å; F155-V187 HydrophobicContact CE1-CG2 4.16Å; F155-V187 HydrophobicContact CE2-CG2 4.3Å; F155-V187 HydrophobicContact CZ-CG1 4.05Å; F155-V187 HydrophobicContact CZ-CG2 3.94Å; F155-A192 HydrophobicContact CD1-CB 4.07Å; F155-I206 HydrophobicContact CE1-CD1 4.34Å
156S97.6Very high96.2Very high0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-98.1141.1175.9-42.60000110.5E140 V142 G143 Q165E140-S156 WeakPolarHBondContact OE1-CB 3.45Å; E140-S156 PolarHBondContact OE1-OG 2.68Å; V142-S156 CarbonylContact C-O 3.6Å; V142-S156 VanDerWaalsContact CA-O 3.27Å; V142-S156 WeakPolarHBondContact CA-O 3.37Å; G143-S156 PolarHBondContact N-O 3.5Å; G143-S156 PolarHBondContact O-N 3.49Å; S156-Q165 CarbonylContact C-O 3.5Å; S156-Q165 VanDerWaalsContact CA-O 3.29Å; S156-Q165 WeakPolarHBondContact CA-O 3.44Å
157Y97.6Very high96.2Very high9 Ų942.2 Ų42.24%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-153.5157.5177.263.3-85000112Q141 F155 Q165 I206 K207 R209Q141-Y157 CarbonylContact O-C 3.59Å; Q141-Y157 WeakPolarHBondContact O-CA 3.45Å; F155-Y157 AromaticContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CE1 4.38Å; F155-Y157 AromaticContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CE1 4.31Å; F155-Y157 HydrophobicContact CE1-CG 4.09Å; F155-Y157 HydrophobicContact CZ-CD1 4.26Å; F155-Y157 HydrophobicContact CZ-CG 4.43Å; Y157-Q165 HydrophobicContact CD1-CB 4.33Å; Y157-Q165 HydrophobicContact CD2-CB 4.15Å; Y157-Q165 HydrophobicContact CE1-CB 3.82Å; Y157-Q165 HydrophobicContact CE2-CB 3.65Å; Y157-Q165 HydrophobicContact CE2-CG 4.08Å; Y157-Q165 HydrophobicContact CG-CB 4.47Å; Y157-Q165 VanDerWaalsContact CZ-CB 3.44Å; Y157-Q165 PolarHBondContact N-O 2.94Å; Y157-Q165 PolarHBondContact O-N 3.44Å; Y157-I206 HydrophobicContact CE1-CB 3.93Å; Y157-I206 HydrophobicContact CE1-CG2 3.78Å; Y157-I206 WeakPolarHBondContact OH-CB 3.47Å; Y157-K207 WeakPolarHBondContact CE2-O 3.34Å; Y157-K207 PolarHBondContact OH-N 2.97Å; Y157-R209 HydrophobicContact CD2-CB 4.46Å; Y157-R209 HydrophobicContact CD2-CG 3.35Å; Y157-R209 HydrophobicContact CE2-CG 3.96Å; Y157-R209 HydrophobicContact CG-CG 3.98Å
158K97.2Very high96.2Very high14 Ų1443.3 Ų43.36%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-76.7126.4170.7-72.2-58.7-165.6167.10111.7Q141 G162 S163 L164 R209 G210 I212Q141-K158 HydrophobicContact CB-CG 4.47Å; Q141-K158 PolarHBondContact O-N 3.05Å; Q141-K158 VanDerWaalsContact O-N 3.13Å; Q141-K158 VanDerWaalsContact OE1-CE 3.25Å; K158-G162 WeakPolarHBondContact CD-O 3.47Å; K158-G162 PolarHBondContact NZ-O 3.39Å; K158-S163 WeakPolarHBondContact CA-O 3.4Å; K158-L164 HydrophobicContact CD-CD1 4.47Å; K158-R209 CarbonylContact O-C 3.47Å; K158-R209 WeakPolarHBondContact O-CA 3.4Å; K158-G210 PolarHBondContact O-N 2.9Å; K158-I212 HydrophobicContact CB-CG2 4.19Å; K158-I212 HydrophobicContact CG-CG2 4.24Å
159G95.4Very high96.3Very high3 Ų342.9 Ų42.93%0.03125%0.246CC..BIsolated β-bridgetrans-76.5171.316800000112.2D161 G162 S163 G210G159-D161 PolarHBondContact O-N 2.02Å; G159-D161 VanDerWaalsContact O-N 3.17Å; G159-G162 PolarHBondContact O-N 3.35Å; G159-S163 PolarHBondContact N-O 2.97Å; G159-G210 WeakPolarHBondContact O-CA 3.3Å
160L94.8Very high96.5Very high128 Ų12839.3 Ų39.367%0.6724%0.237SC*.THydrogen-bonded Turntrans-56.9-26.9175.5-68.1175.7000113.7G162 P208 R209L160-G162 VanDerWaalsContact C-N 3.26Å; L160-G162 PolarHBondContact O-N 3.35Å; L160-P208 HydrophobicContact CD1-CB 3.74Å; L160-P208 HydrophobicContact CD1-CG 4.38Å; L160-P208 HydrophobicContact CD2-CB 4.5Å; L160-P208 HydrophobicContact CG-CB 3.97Å; L160-P208 PolarHBondContact N-O 3.2Å; L160-R209 WeakPolarHBondContact CD2-O 3.34Å
161D94.6Very high96.4Very high120 Ų12042 Ų4264%0.64225%0.248SC*.THydrogen-bonded Turntrans-82.40177.165.3-16.2000113.4G159 S163G159-D161 PolarHBondContact O-N 2.02Å; G159-D161 VanDerWaalsContact O-N 3.17Å; D161-S163 PolarHBondContact O-N 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 3.29Å; D161-S163 PolarHBondContact OD1-OG 2.8Å; D161-S163 WeakPolarHBondContact OD2-CB 3.35Å; D161-S163 PolarHBondContact OD2-OG 2.76Å
162G92.3Very high96.4Very high39 Ų3938.4 Ų38.440%0.40223%0.232SC..SBendtrans74.42.6-175.800000114.3K158 G159 L160K158-G162 WeakPolarHBondContact CD-O 3.47Å; K158-G162 PolarHBondContact NZ-O 3.39Å; G159-G162 PolarHBondContact O-N 3.35Å; L160-G162 VanDerWaalsContact C-N 3.26Å; L160-G162 PolarHBondContact O-N 3.35Å
163S95.6Very high96.2Very high37 Ų3741.2 Ų41.226%0.25925%0.249SC..  trans-75.8150.5173.474.70000110.6K158 G159 D161 Q165K158-S163 WeakPolarHBondContact CA-O 3.4Å; G159-S163 PolarHBondContact N-O 2.97Å; D161-S163 PolarHBondContact O-N 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 3.29Å; D161-S163 PolarHBondContact OD1-OG 2.8Å; D161-S163 WeakPolarHBondContact OD2-CB 3.35Å; D161-S163 PolarHBondContact OD2-OG 2.76Å; S163-Q165 PolarHBondContact O-N 3.09Å; S163-Q165 PolarHBondContact OG-NE2 3.41Å
164L95.9Very high95.9Very high64 Ų6444.3 Ų44.334%0.33527%0.271SS..EExtended strand (participates in β ladder)trans-82.1113.9174.3-169.770.5000108.2E140 K158E140-L164 HydrophobicContact CB-CD2 4.31Å; K158-L164 HydrophobicContact CD-CD1 4.47Å
165Q97.3Very high95.8Very high41 Ų4144.1 Ų44.119%0.19227%0.27CS..EExtended strand (participates in β ladder)trans-95.7156.6173.2-59.9-64.1-66.600109.4S156 Y157 S163S156-Q165 CarbonylContact C-O 3.5Å; S156-Q165 VanDerWaalsContact CA-O 3.29Å; S156-Q165 WeakPolarHBondContact CA-O 3.44Å; Y157-Q165 HydrophobicContact CD1-CB 4.33Å; Y157-Q165 HydrophobicContact CD2-CB 4.15Å; Y157-Q165 HydrophobicContact CE1-CB 3.82Å; Y157-Q165 HydrophobicContact CE2-CB 3.65Å; Y157-Q165 HydrophobicContact CE2-CG 4.08Å; Y157-Q165 HydrophobicContact CG-CB 4.47Å; Y157-Q165 VanDerWaalsContact CZ-CB 3.44Å; Y157-Q165 PolarHBondContact N-O 2.94Å; Y157-Q165 PolarHBondContact O-N 3.44Å; S163-Q165 PolarHBondContact O-N 3.09Å; S163-Q165 PolarHBondContact OG-NE2 3.41Å
166T96.6Very high95.7Very high70 Ų7045 Ų4543%0.42927%0.273SS..EExtended strand (participates in β ladder)trans-142.2129.8-178.9-54.90000110.8A154 F155A154-T166 HydrophobicContact CB-CG2 3.7Å; F155-T166 CarbonylContact O-C 3.5Å; F155-T166 WeakPolarHBondContact O-CA 3.34Å
167A97.2Very high95.6Very high7 Ų747.7 Ų47.76%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-102.3113166.700000108.6A154 F155 L204 I206A154-A167 CarbonylContact C-O 3.57Å; A154-A167 VanDerWaalsContact CA-O 3.28Å; A154-A167 WeakPolarHBondContact CA-O 3.35Å; F155-A167 PolarHBondContact N-O 3.17Å; F155-A167 PolarHBondContact O-N 2.77Å; A167-L204 HydrophobicContact CB-CB 4.25Å; A167-L204 HydrophobicContact CB-CD1 4.15Å; A167-I206 HydrophobicContact CB-CG2 3.95Å
168A97.2Very high95.5Very high50 Ų5049.2 Ų49.241%0.41330%0.3SS..EExtended strand (participates in β ladder)trans-109.3112.7-173.300000111.6A154 L204A154-A168 HydrophobicContact CB-CB 4.18Å; A168-L204 WeakPolarHBondContact O-CD1 3.39Å
169F97.8Very high95.5Very high0 Ų053.2 Ų53.20%032%0.319CS..EExtended strand (participates in β ladder)trans-89.3106.2176.1-52.5-82.1000109.4S152 V153 F155 L172 A192 L194 E202 L204S152-F169 VanDerWaalsContact CA-O 3.29Å; S152-F169 WeakPolarHBondContact CA-O 3.45Å; S152-F169 WeakPolarHBondContact CB-O 3.29Å; V153-F169 PolarHBondContact N-O 2.76Å; V153-F169 WeakPolarHBondContact O-CA 3.43Å; V153-F169 WeakPolarHBondContact O-CB 3.27Å; V153-F169 WeakPolarHBondContact O-CD2 3.38Å; V153-F169 PolarHBondContact O-N 2.87Å; F155-F169 HydrophobicContact CB-CE2 4.46Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CD1 3.45Å; F169-A192 WeakPolarHBondContact CE1-O 3.48Å; F169-A192 HydrophobicContact CZ-CB 4.1Å; F169-A192 WeakPolarHBondContact CZ-O 3.39Å; F169-L194 HydrophobicContact CB-CB 4.44Å; F169-L194 HydrophobicContact CB-CD2 3.44Å; F169-L194 VanDerWaalsContact CB-CD2 3.44Å; F169-L194 HydrophobicContact CD1-CB 3.66Å; F169-L194 HydrophobicContact CD1-CD2 4.26Å; F169-L194 HydrophobicContact CD2-CB 3.92Å; F169-L194 HydrophobicContact CD2-CD2 3.99Å; F169-L194 HydrophobicContact CD2-CG 4.43Å; F169-L194 HydrophobicContact CE1-CB 3.73Å; F169-L194 HydrophobicContact CE2-CB 4.02Å; F169-L194 HydrophobicContact CG-CB 3.74Å; F169-L194 HydrophobicContact CG-CD2 3.64Å; F169-L194 HydrophobicContact CG-CG 4.29Å; F169-L194 HydrophobicContact CZ-CB 3.92Å; F169-E202 HydrophobicContact CD1-CB 4.02Å; F169-E202 HydrophobicContact CD1-CG 4.28Å; F169-L204 HydrophobicContact CD1-CD1 3.6Å; F169-L204 HydrophobicContact CD1-CG 3.88Å; F169-L204 HydrophobicContact CE1-CB 4.05Å; F169-L204 HydrophobicContact CE1-CD1 3.63Å; F169-L204 HydrophobicContact CE1-CG 3.61Å; F169-L204 HydrophobicContact CG-CD1 4.12Å; F169-L204 HydrophobicContact CZ-CB 4.42Å; F169-L204 HydrophobicContact CZ-CD1 4.14Å; F169-L204 HydrophobicContact CZ-CG 4.36Å
170S95.9Very high95.5Very high70 Ų7053.6 Ų53.649%0.4932%0.319SS..  trans-95.2175.4-173.3-590000112
171N92.9Very high95.7Very high139 Ų13947.6 Ų47.674%0.74329%0.288SS*.  trans61.350.8175.2-16534.5000113.8P173N171-P173 VanDerWaalsContact O-CD 3.24Å; N171-P173 WeakPolarHBondContact O-CD 3.28Å
172L95.6Very high95.8Very high5 Ų541.9 Ų41.93%0.02626%0.258CS..  trans-113.248.5178.7-60.6173000112.8Q151 V153 F169 S174 L175 F176 L194 V196 I201Q151-L172 WeakPolarHBondContact O-CB 3.4Å; Q151-L172 PolarHBondContact O-N 2.82Å; V153-L172 HydrophobicContact CB-CD1 3.89Å; V153-L172 HydrophobicContact CG2-CD1 3.68Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CD1 3.45Å; L172-S174 PolarHBondContact O-N 3.46Å; L172-S174 VanDerWaalsContact O-N 3.16Å; L172-L175 HydrophobicContact CB-CB 4.32Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 3.16Å; L172-L175 VanDerWaalsContact O-N 3.1Å; L172-F176 HydrophobicContact CB-CE2 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.2Å; L172-L194 HydrophobicContact CD1-CD2 3.65Å; L172-L194 HydrophobicContact CD2-CD2 4.39Å; L172-V196 HydrophobicContact CD2-CG2 4.35Å; L172-I201 HydrophobicContact CD2-CG1 4.38Å; L172-I201 HydrophobicContact CD2-CG2 3.87Å
173P94.2Very high96.1Very high64 Ų6440 Ų4042%0.41624%0.238SC..G310 helixtrans-61.2-29.3-176.627.4-35.2000112.7N171 L175 F176N171-P173 VanDerWaalsContact O-CD 3.24Å; N171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-L175 PolarHBondContact O-N 3.17Å; P173-F176 PolarHBondContact O-N 3.49Å; P173-F176 VanDerWaalsContact O-N 3.12Å
174S93Very high96.2Very high65 Ų6538.3 Ų38.346%0.45523%0.226SC..G310 helixtrans-61.3-27.8177.954.80000113.2L172 F176 D177 H181L172-S174 PolarHBondContact O-N 3.46Å; L172-S174 VanDerWaalsContact O-N 3.16Å; S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.92Å; S174-D177 VanDerWaalsContact O-CG 3.32Å; S174-H181 PolarHBondContact O-CE1 3.17Å; S174-H181 PolarHBondContact O-NE2 2.97Å
175L95.4Very high96.4Very high1 Ų135.3 Ų35.31%0.00521%0.21CC..G310 helixtrans-72.7-18.2178.3-17661.4000113F117 M119 V153 L172 P173 H181 I183 V196F117-L175 HydrophobicContact CE1-CD1 4.41Å; F117-L175 HydrophobicContact CZ-CD1 4.09Å; M119-L175 HydrophobicContact CE-CG 4.15Å; M119-L175 WeakPolarHBondContact CE-O 3.39Å; V153-L175 HydrophobicContact CG2-CD2 3.43Å; V153-L175 VanDerWaalsContact CG2-CD2 3.43Å; L172-L175 HydrophobicContact CB-CB 4.32Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 3.16Å; L172-L175 VanDerWaalsContact O-N 3.1Å; P173-L175 PolarHBondContact O-N 3.17Å; L175-H181 HydrophobicContact CD1-CB 3.5Å; L175-H181 PolarHBondContact O-CD2 3.09Å; L175-I183 HydrophobicContact CD1-CG2 3.71Å; L175-I183 HydrophobicContact CD2-CG2 4.1Å; L175-V196 HydrophobicContact CD1-CG1 4.35Å
176F96.6Very high96.4Very high18 Ų1833.4 Ų33.48%0.07920%0.202CC..G310 helixtrans-108.340.2-171.6-61.7-95.6000112.4M119 L124 I146 N147 G148 Q151 L172 P173 S174M119-F176 HydrophobicContact CE-CB 4.48Å; M119-F176 HydrophobicContact CE-CD1 3.32Å; M119-F176 HydrophobicContact CE-CD2 4.48Å; M119-F176 HydrophobicContact CE-CE1 3.49Å; M119-F176 VanDerWaalsContact CE-CE1 3.49Å; M119-F176 HydrophobicContact CE-CG 3.86Å; M119-F176 HydrophobicContact CE-CZ 4.16Å; M119-F176 HydrophobicContact SD-CD1 4.23Å; M119-F176 HydrophobicContact SD-CE1 4.29Å; L124-F176 HydrophobicContact CD2-CB 4.19Å; L124-F176 HydrophobicContact CD2-CD1 4.48Å; L124-F176 WeakPolarHBondContact O-CD1 3.49Å; I146-F176 HydrophobicContact CG2-CE1 3.6Å; I146-F176 HydrophobicContact CG2-CZ 3.72Å; N147-F176 WeakPolarHBondContact O-CZ 3.39Å; G148-F176 VanDerWaalsContact CA-CE1 3.44Å; Q151-F176 VanDerWaalsContact C-CE2 3.42Å; Q151-F176 HydrophobicContact CB-CD2 3.76Å; Q151-F176 HydrophobicContact CB-CE2 3.82Å; Q151-F176 HydrophobicContact CB-CG 4.47Å; Q151-F176 HydrophobicContact CG-CD2 3.97Å; Q151-F176 HydrophobicContact CG-CE2 4.38Å; Q151-F176 HydrophobicContact CG-CG 4.2Å; L172-F176 HydrophobicContact CB-CE2 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.2Å; P173-F176 PolarHBondContact O-N 3.49Å; P173-F176 VanDerWaalsContact O-N 3.12Å; S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.92Å
177D94.6Very high96.4Very high57 Ų5730.1 Ų30.131%0.30518%0.182SC..SBendtrans-10810.3-172.672.1-2.1000114.8S174 Q179 H181 R258S174-D177 VanDerWaalsContact O-CG 3.32Å; D177-Q179 PolarHBondContact O-N 3.04Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.27Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.29Å; D177-Q179 PolarHBondContact OD1-N 3.47Å; D177-H181 IonicContact OD1-CD2 3.17Å; D177-H181 IonicContact OD1-CE1 2.66Å; D177-H181 IonicContact OD1-NE2 3.74Å; D177-H181 PolarHBondContact OD1-NE2 3.12Å; D177-H181 IonicContact OD2-NE2 3.18Å; D177-R258 IonicContact OD1-NH2 3.83Å; D177-R258 IonicContact OD2-CZ 2.76Å; D177-R258 IonicContact OD2-NH1 3.74Å; D177-R258 PolarHBondContact OD2-NH1 3.1Å; D177-R258 IonicContact OD2-NH2 2.68Å; D177-R258 PolarHBondContact OD2-NH2 3.47Å
178S96Very high96.4Very high42 Ų4232.5 Ų32.529%0.29419%0.192SC..SBendtrans68.45-173.2-51.90000116.7R118 M119 L124R118-S178 WeakPolarHBondContact CD-O 3.27Å; R118-S178 WeakPolarHBondContact CG-O 3.45Å; M119-S178 WeakPolarHBondContact O-CA 3.41Å; L124-S178 WeakPolarHBondContact CD1-OG 3.42Å
179Q95.8Very high96.2Very high98 Ų9836.9 Ų36.946%0.45820%0.198SC..SBendtrans-91.1173.4178.4-57.1-54.6-53.900112.2D177 H181D177-Q179 PolarHBondContact O-N 3.04Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.27Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.29Å; D177-Q179 PolarHBondContact OD1-N 3.47Å; Q179-H181 PolarHBondContact O-CD2 3.09Å
180W97.2Very high96.1Very high10 Ų1040.6 Ų40.64%0.03822%0.224CC..EExtended strand (participates in β ladder)trans-71.3133.7170.5-75.398.6000110.3G79 A86 T116 R118 E234 Q236 L255 R258G79-W180 VanDerWaalsContact C-CE2 3.47Å; G79-W180 PolarHBondContact O-NE1 3.41Å; A86-W180 HydrophobicContact CB-CH2 3.28Å; A86-W180 HydrophobicContact CB-CZ2 3.78Å; A86-W180 HydrophobicContact CB-CZ3 4.23Å; T116-W180 HydrophobicContact CG2-CE3 4.06Å; R118-W180 HydrophobicContact CB-CD2 3.76Å; R118-W180 HydrophobicContact CB-CE3 3.82Å; R118-W180 HydrophobicContact CB-CG 4.28Å; R118-W180 HydrophobicContact CB-CH2 4.07Å; R118-W180 HydrophobicContact CB-CZ2 4.08Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; W180-E234 HydrophobicContact CH2-CB 3.84Å; W180-E234 HydrophobicContact CZ2-CB 4.33Å; W180-E234 WeakPolarHBondContact CZ2-OE2 3.4Å; W180-Q236 HydrophobicContact CE3-CB 4.36Å; W180-Q236 HydrophobicContact CH2-CB 4.13Å; W180-Q236 HydrophobicContact CZ3-CB 3.63Å; W180-L255 HydrophobicContact CB-CD2 4.05Å; W180-R258 PolarHBondContact O-NH2 3.34Å
181H97.4Very high96.2Very high3 Ų338.3 Ų38.31%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-135.1150.2176.5-72.6-80.3000111.4T116 F117 S174 L175 D177 Q179 D197 R258T116-H181 CarbonylContact C-O 3.6Å; T116-H181 VanDerWaalsContact CA-O 3.31Å; T116-H181 WeakPolarHBondContact CA-O 3.21Å; F117-H181 PolarHBondContact N-O 3.07Å; F117-H181 PolarHBondContact O-N 2.96Å; S174-H181 PolarHBondContact O-CE1 3.17Å; S174-H181 PolarHBondContact O-NE2 2.97Å; L175-H181 HydrophobicContact CD1-CB 3.5Å; L175-H181 PolarHBondContact O-CD2 3.09Å; D177-H181 IonicContact OD1-CD2 3.17Å; D177-H181 IonicContact OD1-CE1 2.66Å; D177-H181 IonicContact OD1-NE2 3.74Å; D177-H181 PolarHBondContact OD1-NE2 3.12Å; D177-H181 IonicContact OD2-NE2 3.18Å; Q179-H181 PolarHBondContact O-CD2 3.09Å; H181-D197 VanDerWaalsContact CA-OD1 3.24Å; H181-D197 WeakPolarHBondContact CA-OD1 3.46Å; H181-D197 IonicContact CE1-OD2 2.89Å; H181-D197 PolarHBondContact CE1-OD2 3.34Å; H181-D197 IonicContact CG-OD1 2.66Å; H181-D197 IonicContact CG-OD2 3.72Å; H181-D197 IonicContact ND1-OD1 3.42Å; H181-D197 PolarHBondContact ND1-OD1 3.35Å; H181-D197 IonicContact ND1-OD2 3.69Å; H181-D197 PolarHBondContact ND1-OD2 2.73Å; H181-R258 PolarHBondContact CE1-NH2 2.94Å; H181-R258 PolarHBondContact ND1-NH2 3.03Å; H181-R258 PolarHBondContact NE2-NH2 3.39Å
182K97.9Very high96.4Very high0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-112.7117.4169-174.8-179.3-62.5-178.50108.8T115 T116 M184 V196 D197 W237 E250 T251 E254 L255T115-K182 CarbonylContact O-C 3.39Å; T115-K182 WeakPolarHBondContact O-CA 3.49Å; T116-K182 VanDerWaalsContact OG1-CE 3.32Å; T116-K182 WeakPolarHBondContact OG1-CE 3.43Å; K182-M184 HydrophobicContact CD-CE 4.17Å; K182-M184 HydrophobicContact CD-CG 4.38Å; K182-M184 HydrophobicContact CD-SD 4.06Å; K182-M184 HydrophobicContact CG-CE 4.4Å; K182-M184 HydrophobicContact CG-CG 4.12Å; K182-M184 HydrophobicContact CG-SD 4.41Å; K182-V196 CarbonylContact O-C 3.58Å; K182-V196 WeakPolarHBondContact O-CA 3.32Å; K182-D197 PolarHBondContact N-OD1 3.35Å; K182-D197 PolarHBondContact O-N 3.24Å; K182-W237 HydrophobicContact CD-CZ3 4.31Å; K182-E250 HydrophobicContact CD-CG 3.78Å; K182-E250 IonicContact NZ-OE1 3.61Å; K182-E250 PolarHBondContact NZ-OE1 2.83Å; K182-T251 PolarHBondContact NZ-O 2.83Å; K182-E254 WeakPolarHBondContact CE-OE1 3.32Å; K182-E254 IonicContact NZ-OE1 2.61Å; K182-E254 PolarHBondContact NZ-OE1 3.35Å; K182-E254 IonicContact NZ-OE2 3Å; K182-E254 PolarHBondContact NZ-OE2 2.82Å; K182-L255 HydrophobicContact CB-CD1 4.12Å
183I98.1Very high96.6Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-107141.717168.8174.3000109.5T115 F117 I144 L175 F195 V196T115-I183 HydrophobicContact CG2-CD1 3.98Å; T115-I183 HydrophobicContact CG2-CG1 3.47Å; T115-I183 VanDerWaalsContact CG2-CG1 3.47Å; T115-I183 PolarHBondContact N-O 3.32Å; T115-I183 PolarHBondContact O-N 3.02Å; F117-I183 HydrophobicContact CD1-CG1 4.41Å; F117-I183 HydrophobicContact CE1-CB 4.44Å; F117-I183 HydrophobicContact CE1-CD1 3.76Å; F117-I183 HydrophobicContact CE1-CG1 3.82Å; F117-I183 HydrophobicContact CE1-CG2 3.9Å; F117-I183 HydrophobicContact CZ-CD1 4.4Å; I144-I183 HydrophobicContact CG2-CD1 4.3Å; L175-I183 HydrophobicContact CD1-CG2 3.71Å; L175-I183 HydrophobicContact CD2-CG2 4.1Å; I183-F195 WeakPolarHBondContact CA-O 3.31Å; I183-V196 HydrophobicContact CG2-CG2 4.26Å
184M98.4Very high96.8Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-140.6135.1178.2-50.9168.9-88.300109.7F113 L114 K182 F195 C198 P247 E250F113-M184 CarbonylContact O-C 3.22Å; F113-M184 WeakPolarHBondContact O-CA 3.34Å; L114-M184 HydrophobicContact CB-CG 3.99Å; L114-M184 HydrophobicContact CD2-CB 4.49Å; L114-M184 HydrophobicContact CD2-CG 3.87Å; L114-M184 HydrophobicContact CD2-SD 3.65Å; L114-M184 HydrophobicContact CG-CB 4.07Å; L114-M184 HydrophobicContact CG-CG 3.77Å; L114-M184 HydrophobicContact CG-SD 4.22Å; K182-M184 HydrophobicContact CD-CE 4.17Å; K182-M184 HydrophobicContact CD-CG 4.38Å; K182-M184 HydrophobicContact CD-SD 4.06Å; K182-M184 HydrophobicContact CG-CE 4.4Å; K182-M184 HydrophobicContact CG-CG 4.12Å; K182-M184 HydrophobicContact CG-SD 4.41Å; M184-F195 HydrophobicContact CB-CB 4.2Å; M184-F195 HydrophobicContact CE-CB 3.8Å; M184-F195 PolarHBondContact N-O 3.08Å; M184-F195 PolarHBondContact O-N 2.99Å; M184-C198 HydrophobicContact CE-CB 4.36Å; M184-P247 HydrophobicContact CB-CB 3.77Å; M184-P247 HydrophobicContact CB-CG 3.89Å; M184-P247 HydrophobicContact CG-CB 4.46Å; M184-P247 HydrophobicContact SD-CB 3.88Å; M184-E250 HydrophobicContact CE-CB 4.23Å; M184-E250 HydrophobicContact CE-CG 4.28Å; M184-E250 HydrophobicContact SD-CB 3.56Å; M184-E250 VanDerWaalsContact SD-CB 3.56Å; M184-E250 HydrophobicContact SD-CG 3.57Å; M184-E250 VanDerWaalsContact SD-CG 3.57Å
185I98.5Very high97Very high1 Ų126.8 Ų26.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-121.5114.4176.6-57.8-178.3000107.6S112 F113 I144 V153 F155 V187 A192 T193 L194S112-I185 CarbonylContact C-O 3.5Å; S112-I185 WeakPolarHBondContact CA-O 3.3Å; F113-I185 PolarHBondContact N-O 3.36Å; F113-I185 PolarHBondContact O-N 3.29Å; I144-I185 HydrophobicContact CD1-CD1 4.02Å; I144-I185 HydrophobicContact CG1-CD1 4.06Å; I144-I185 HydrophobicContact CG2-CD1 3.98Å; V153-I185 HydrophobicContact CG1-CD1 4.24Å; F155-I185 HydrophobicContact CB-CD1 4.3Å; I185-V187 HydrophobicContact CG2-CG2 3.87Å; I185-A192 HydrophobicContact CG2-CB 4.42Å; I185-T193 CarbonylContact C-O 3.53Å; I185-T193 WeakPolarHBondContact CA-O 3.31Å; I185-L194 HydrophobicContact CD1-CD1 4.35Å; I185-L194 HydrophobicContact CG1-CD1 3.78Å
186G98Very high97.1Very high2 Ų227 Ų272%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-85.2117.1167.100000109.1A192 T193 P244G186-A192 CarbonylContact O-C 3.5Å; G186-A192 WeakPolarHBondContact O-CA 3.14Å; G186-T193 PolarHBondContact N-O 3.33Å; G186-T193 PolarHBondContact O-N 2.63Å; G186-P244 WeakPolarHBondContact CA-O 3.44Å
187V97.8Very high97.1Very high1 Ų127.2 Ų27.21%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-105.3103.9179.1-172.10000108.1E110 Y111 F155 I185 I206 R209E110-V187 WeakPolarHBondContact CA-O 3.31Å; Y111-V187 HydrophobicContact CD1-CB 4.3Å; Y111-V187 HydrophobicContact CD2-CG2 4.46Å; Y111-V187 HydrophobicContact CE1-CB 4.12Å; Y111-V187 HydrophobicContact CE1-CG1 4.15Å; Y111-V187 HydrophobicContact CE1-CG2 4.35Å; Y111-V187 HydrophobicContact CE2-CB 4.44Å; Y111-V187 HydrophobicContact CE2-CG2 3.96Å; Y111-V187 PolarHBondContact N-O 3.11Å; Y111-V187 CarbonylContact O-C 3.58Å; Y111-V187 WeakPolarHBondContact O-CA 3.36Å; Y111-V187 WeakPolarHBondContact O-CB 3.25Å; Y111-V187 PolarHBondContact O-N 3.32Å; Y111-V187 VanDerWaalsContact O-O 3.08Å; F155-V187 HydrophobicContact CE1-CG1 4.02Å; F155-V187 HydrophobicContact CE1-CG2 4.16Å; F155-V187 HydrophobicContact CE2-CG2 4.3Å; F155-V187 HydrophobicContact CZ-CG1 4.05Å; F155-V187 HydrophobicContact CZ-CG2 3.94Å; I185-V187 HydrophobicContact CG2-CG2 3.87Å; V187-I206 HydrophobicContact CG1-CD1 3.88Å; V187-R209 VanDerWaalsContact CG1-NH1 3.3Å
188E96.1Very high97.1Very high57 Ų5726.2 Ų26.227%0.26614%0.138SC..  trans-96.3178.4175.6-63.3171.7100.100109.9S190 S191 R209 P244E188-S190 VanDerWaalsContact C-N 3.29Å; E188-S190 PolarHBondContact O-N 2.74Å; E188-S191 PolarHBondContact N-O 2.61Å; E188-S191 PolarHBondContact OE2-OG 3.38Å; E188-R209 PolarHBondContact O-NH2 2.94Å; E188-R209 VanDerWaalsContact O-NH2 3.11Å; E188-P244 HydrophobicContact CG-CB 3.97Å; E188-P244 HydrophobicContact CG-CG 4.36Å
189R93.3Very high97.1Very high141 Ų14129.3 Ų29.353%0.53215%0.151SC..SBendtrans-47.4-47178.8-175.3177.9-69.4-82.5-10.6114.1E109 E110 R209E109-R189 IonicContact OE1-CZ 2.72Å; E109-R189 VanDerWaalsContact OE1-CZ 3.31Å; E109-R189 IonicContact OE1-NE 2.81Å; E109-R189 IonicContact OE1-NH1 3.15Å; E109-R189 PolarHBondContact OE1-NH1 2.79Å; E109-R189 IonicContact OE1-NH2 3.9Å; E109-R189 IonicContact OE2-CZ 2.73Å; E109-R189 IonicContact OE2-NH1 2.65Å; E109-R189 PolarHBondContact OE2-NH1 3.47Å; E109-R189 IonicContact OE2-NH2 2.71Å; E109-R189 PolarHBondContact OE2-NH2 3.04Å; E110-R189 PolarHBondContact OE1-N 3.31Å; R189-R209 PolarHBondContact O-NH2 3.1Å
190S95.4Very high97.1Very high78 Ų7831.9 Ų31.955%0.54516%0.157SC..SBendtrans-130.85.8-171.757.50000114.7E188 P205 I206E188-S190 VanDerWaalsContact C-N 3.29Å; E188-S190 PolarHBondContact O-N 2.74Å; S190-P205 WeakPolarHBondContact O-CA 3.16Å; S190-I206 PolarHBondContact O-N 3.03Å
191S97.7Very high97.1Very high23 Ų2334.9 Ų34.916%0.16117%0.173CC..EExtended strand (participates in β ladder)trans-137.714818040.30000111.5E188 L204E188-S191 PolarHBondContact N-O 2.61Å; E188-S191 PolarHBondContact OE2-OG 3.38Å; S191-L204 WeakPolarHBondContact CA-O 3.39Å
192A98.3Very high97Very high0 Ų038.4 Ų38.40%019%0.189CC..EExtended strand (participates in β ladder)trans-119.7119.7165.100000108.3F155 F169 I185 G186 S203 L204 I206F155-A192 HydrophobicContact CD1-CB 4.07Å; F169-A192 WeakPolarHBondContact CE1-O 3.48Å; F169-A192 HydrophobicContact CZ-CB 4.1Å; F169-A192 WeakPolarHBondContact CZ-O 3.39Å; I185-A192 HydrophobicContact CG2-CB 4.42Å; G186-A192 CarbonylContact O-C 3.5Å; G186-A192 WeakPolarHBondContact O-CA 3.14Å; A192-S203 WeakPolarHBondContact O-CA 3.39Å; A192-L204 PolarHBondContact N-O 2.94Å; A192-L204 PolarHBondContact O-N 2.88Å; A192-I206 HydrophobicContact CB-CD1 4.49Å; A192-I206 HydrophobicContact CB-CG2 3.78Å
193T98.5Very high97Very high12 Ų1240.5 Ų40.57%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-107.8122.1179.3-56.60000110.5I185 G186 F195 R200 E202 S203I185-T193 CarbonylContact C-O 3.53Å; I185-T193 WeakPolarHBondContact CA-O 3.31Å; G186-T193 PolarHBondContact N-O 3.33Å; G186-T193 PolarHBondContact O-N 2.63Å; T193-F195 HydrophobicContact CG2-CD2 4.09Å; T193-F195 HydrophobicContact CG2-CE2 3.4Å; T193-F195 HydrophobicContact CG2-CZ 3.7Å; T193-R200 HydrophobicContact CG2-CG 3.94Å; T193-E202 WeakPolarHBondContact CA-O 3.21Å; T193-S203 WeakPolarHBondContact OG1-CB 3.39Å; T193-S203 PolarHBondContact OG1-OG 3.05Å
194L98.5Very high97Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-91134.4174.2178.668.4000110.9V153 F169 L172 I185 V196 I201 E202V153-L194 HydrophobicContact CB-CD2 4.18Å; V153-L194 HydrophobicContact CG1-CD1 4.27Å; F169-L194 HydrophobicContact CB-CB 4.44Å; F169-L194 HydrophobicContact CB-CD2 3.44Å; F169-L194 VanDerWaalsContact CB-CD2 3.44Å; F169-L194 HydrophobicContact CD1-CB 3.66Å; F169-L194 HydrophobicContact CD1-CD2 4.26Å; F169-L194 HydrophobicContact CD2-CB 3.92Å; F169-L194 HydrophobicContact CD2-CD2 3.99Å; F169-L194 HydrophobicContact CD2-CG 4.43Å; F169-L194 HydrophobicContact CE1-CB 3.73Å; F169-L194 HydrophobicContact CE2-CB 4.02Å; F169-L194 HydrophobicContact CG-CB 3.74Å; F169-L194 HydrophobicContact CG-CD2 3.64Å; F169-L194 HydrophobicContact CG-CG 4.29Å; F169-L194 HydrophobicContact CZ-CB 3.92Å; L172-L194 HydrophobicContact CD1-CD2 3.65Å; L172-L194 HydrophobicContact CD2-CD2 4.39Å; I185-L194 HydrophobicContact CD1-CD1 4.35Å; I185-L194 HydrophobicContact CG1-CD1 3.78Å; L194-V196 HydrophobicContact CD1-CG2 4.3Å; L194-V196 HydrophobicContact CD2-CG2 4.05Å; L194-V196 HydrophobicContact CG-CG2 4.06Å; L194-I201 PolarHBondContact O-N 2.77Å; L194-E202 PolarHBondContact N-O 2.85Å
195F98.1Very high97Very high18 Ų1847.4 Ų47.48%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-121138167.8-56.7-107000109.1I183 M184 T193 N199 R200 P247 R248I183-F195 WeakPolarHBondContact CA-O 3.31Å; M184-F195 HydrophobicContact CB-CB 4.2Å; M184-F195 HydrophobicContact CE-CB 3.8Å; M184-F195 PolarHBondContact N-O 3.08Å; M184-F195 PolarHBondContact O-N 2.99Å; T193-F195 HydrophobicContact CG2-CD2 4.09Å; T193-F195 HydrophobicContact CG2-CE2 3.4Å; T193-F195 HydrophobicContact CG2-CZ 3.7Å; F195-N199 CarbonylContact C-O 3.58Å; F195-N199 WeakPolarHBondContact CA-O 3.47Å; F195-R200 VanDerWaalsContact CD1-CA 3.47Å; F195-R200 HydrophobicContact CD1-CB 3.7Å; F195-R200 HydrophobicContact CD1-CG 4.22Å; F195-R200 HydrophobicContact CE1-CB 3.57Å; F195-R200 HydrophobicContact CE1-CG 3.84Å; F195-R200 HydrophobicContact CZ-CB 4.4Å; F195-R200 HydrophobicContact CZ-CG 4.19Å; F195-P247 HydrophobicContact CD2-CB 3.6Å; F195-P247 HydrophobicContact CD2-CG 4.36Å; F195-P247 HydrophobicContact CE2-CB 3.77Å; F195-P247 HydrophobicContact CE2-CG 4.43Å; F195-P247 HydrophobicContact CG-CB 4.06Å; F195-P247 HydrophobicContact CZ-CB 4.34Å; F195-R248 HydrophobicContact CE1-CG 4.29Å; F195-R248 HydrophobicContact CZ-CG 3.93Å
196V97.3Very high96.9Very high5 Ų547.9 Ų47.93%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-128.9127.4175.8-179.10000108.1L172 L175 K182 I183 L194 C198 N199 I201L172-V196 HydrophobicContact CD2-CG2 4.35Å; L175-V196 HydrophobicContact CD1-CG1 4.35Å; K182-V196 CarbonylContact O-C 3.58Å; K182-V196 WeakPolarHBondContact O-CA 3.32Å; I183-V196 HydrophobicContact CG2-CG2 4.26Å; L194-V196 HydrophobicContact CD1-CG2 4.3Å; L194-V196 HydrophobicContact CD2-CG2 4.05Å; L194-V196 HydrophobicContact CG-CG2 4.06Å; V196-C198 PolarHBondContact O-N 2.8Å; V196-N199 PolarHBondContact N-O 2.78Å; V196-N199 WeakPolarHBondContact O-CB 3.35Å; V196-N199 PolarHBondContact O-N 3.13Å; V196-I201 HydrophobicContact CB-CD1 4.1Å; V196-I201 HydrophobicContact CB-CG1 3.85Å; V196-I201 HydrophobicContact CG2-CD1 4.44Å; V196-I201 HydrophobicContact CG2-CG1 3.7Å
197D95.9Very high96.8Very high24 Ų2453.6 Ų53.613%0.12827%0.273CS..THydrogen-bonded Turntrans50.443-177.8-57.7-22.5000112.4H181 K182 N199 L255 R258H181-D197 VanDerWaalsContact CA-OD1 3.24Å; H181-D197 WeakPolarHBondContact CA-OD1 3.46Å; H181-D197 IonicContact CE1-OD2 2.89Å; H181-D197 PolarHBondContact CE1-OD2 3.34Å; H181-D197 IonicContact CG-OD1 2.66Å; H181-D197 IonicContact CG-OD2 3.72Å; H181-D197 IonicContact ND1-OD1 3.42Å; H181-D197 PolarHBondContact ND1-OD1 3.35Å; H181-D197 IonicContact ND1-OD2 3.69Å; H181-D197 PolarHBondContact ND1-OD2 2.73Å; K182-D197 PolarHBondContact N-OD1 3.35Å; K182-D197 PolarHBondContact O-N 3.24Å; D197-N199 PolarHBondContact O-N 3.43Å; D197-N199 PolarHBondContact O-ND2 3.28Å; D197-L255 HydrophobicContact CB-CD1 4.01Å; D197-L255 WeakPolarHBondContact OD1-CD1 3.41Å; D197-R258 IonicContact OD2-CZ 3.93Å; D197-R258 IonicContact OD2-NE 3.32Å; D197-R258 IonicContact OD2-NH2 3.92Å
198C95.3Very high96.6Very high36 Ų3657.3 Ų57.324%0.24330%0.297CS..THydrogen-bonded Turntrans66.68.5-178.3-58.20000115.7M184 V196 T251 C252M184-C198 HydrophobicContact CE-CB 4.36Å; V196-C198 PolarHBondContact O-N 2.8Å; C198-T251 PolarHBondContact SG-O 2.87Å; C198-C252 HydrophobicContact CB-CB 3.81Å; C198-C252 WeakPolarHBondContact CB-SG 3.19Å; C198-C252 PolarHBondContact N-SG 2.74Å; C198-C252 VanDerWaalsContact SG-CA 3.59Å; C198-C252 WeakPolarHBondContact SG-CB 3.3Å; C198-C252 PolarHBondContact SG-N 3.05Å; C198-C252 CovalentContact SG-SG 2.04Å; C198-C252 PolarHBondContact SG-SG 2.78Å
199N95.1Very high96.6Very high106 Ų10656.9 Ų56.957%0.56729%0.293SS*.EExtended strand (participates in β ladder)trans-98.7134.4171.2-58.6-62.6000110F195 V196 D197 I201F195-N199 CarbonylContact C-O 3.58Å; F195-N199 WeakPolarHBondContact CA-O 3.47Å; V196-N199 PolarHBondContact N-O 2.78Å; V196-N199 WeakPolarHBondContact O-CB 3.35Å; V196-N199 PolarHBondContact O-N 3.13Å; D197-N199 PolarHBondContact O-N 3.43Å; D197-N199 PolarHBondContact O-ND2 3.28Å; N199-I201 HydrophobicContact CB-CD1 4.49Å; N199-I201 PolarHBondContact O-N 2.92Å
200R96.2Very high96.6Very high153 Ų15350.7 Ų50.758%0.57727%0.273SS*.EExtended strand (participates in β ladder)trans-70.8123172.4-175.8177.9172.2-84.44109T193 F195 S203T193-R200 HydrophobicContact CG2-CG 3.94Å; F195-R200 VanDerWaalsContact CD1-CA 3.47Å; F195-R200 HydrophobicContact CD1-CB 3.7Å; F195-R200 HydrophobicContact CD1-CG 4.22Å; F195-R200 HydrophobicContact CE1-CB 3.57Å; F195-R200 HydrophobicContact CE1-CG 3.84Å; F195-R200 HydrophobicContact CZ-CB 4.4Å; F195-R200 HydrophobicContact CZ-CG 4.19Å; R200-S203 VanDerWaalsContact NH2-CB 3.28Å
201I96.6Very high96.5Very high73 Ų7352.5 Ų52.537%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-94.5-63.3-179.8-54.4-53.6000110.8L172 L194 V196 N199L172-I201 HydrophobicContact CD2-CG1 4.38Å; L172-I201 HydrophobicContact CD2-CG2 3.87Å; L194-I201 PolarHBondContact O-N 2.77Å; V196-I201 HydrophobicContact CB-CD1 4.1Å; V196-I201 HydrophobicContact CB-CG1 3.85Å; V196-I201 HydrophobicContact CG2-CD1 4.44Å; V196-I201 HydrophobicContact CG2-CG1 3.7Å; N199-I201 HydrophobicContact CB-CD1 4.49Å; N199-I201 PolarHBondContact O-N 2.92Å
202E96.2Very high96.4Very high76 Ų7652.7 Ų52.736%0.35528%0.282SS..EExtended strand (participates in β ladder)trans-155.5151.3-171.9-178.3175.5-146.500110F169 T193 L194 L204F169-E202 HydrophobicContact CD1-CB 4.02Å; F169-E202 HydrophobicContact CD1-CG 4.28Å; T193-E202 WeakPolarHBondContact CA-O 3.21Å; L194-E202 PolarHBondContact N-O 2.85Å; E202-L204 HydrophobicContact CG-CD2 4.02Å; E202-L204 HydrophobicContact CG-CG 4.15Å; E202-L204 WeakPolarHBondContact OE1-CD2 3.42Å
203S97.9Very high96.2Very high44 Ų4455.4 Ų55.431%0.30830%0.297SS..EExtended strand (participates in β ladder)trans-122117.6172.1174.70000108.9A192 T193 R200A192-S203 WeakPolarHBondContact O-CA 3.39Å; T193-S203 WeakPolarHBondContact OG1-CB 3.39Å; T193-S203 PolarHBondContact OG1-OG 3.05Å; R200-S203 VanDerWaalsContact NH2-CB 3.28Å
204L98.2Very high96Very high33 Ų3356.3 Ų56.317%0.17330%0.302CS..EExtended strand (participates in β ladder)trans-105.2139.7-179.5-66.8177.1000110.5A167 A168 F169 S191 A192 E202A167-L204 HydrophobicContact CB-CB 4.25Å; A167-L204 HydrophobicContact CB-CD1 4.15Å; A168-L204 WeakPolarHBondContact O-CD1 3.39Å; F169-L204 HydrophobicContact CD1-CD1 3.6Å; F169-L204 HydrophobicContact CD1-CG 3.88Å; F169-L204 HydrophobicContact CE1-CB 4.05Å; F169-L204 HydrophobicContact CE1-CD1 3.63Å; F169-L204 HydrophobicContact CE1-CG 3.61Å; F169-L204 HydrophobicContact CG-CD1 4.12Å; F169-L204 HydrophobicContact CZ-CB 4.42Å; F169-L204 HydrophobicContact CZ-CD1 4.14Å; F169-L204 HydrophobicContact CZ-CG 4.36Å; S191-L204 WeakPolarHBondContact CA-O 3.39Å; A192-L204 PolarHBondContact N-O 2.94Å; A192-L204 PolarHBondContact O-N 2.88Å; E202-L204 HydrophobicContact CG-CD2 4.02Å; E202-L204 HydrophobicContact CG-CG 4.15Å; E202-L204 WeakPolarHBondContact OE1-CD2 3.42Å
205P97.7Very high95.9Very high113 Ų11360.3 Ų60.373%0.73432%0.324SS*.EExtended strand (participates in β ladder)trans-67.9136.4173.429.1-33.5000110.2S190S190-P205 WeakPolarHBondContact O-CA 3.16Å
206I97.3Very high95.7Very high10 Ų1059.4 Ų59.45%0.05132%0.32CS..  trans-118.4146.3172.861.2171.1000110.2F155 Y157 A167 V187 S190 A192F155-I206 HydrophobicContact CE1-CD1 4.34Å; Y157-I206 HydrophobicContact CE1-CB 3.93Å; Y157-I206 HydrophobicContact CE1-CG2 3.78Å; Y157-I206 WeakPolarHBondContact OH-CB 3.47Å; A167-I206 HydrophobicContact CB-CG2 3.95Å; V187-I206 HydrophobicContact CG1-CD1 3.88Å; S190-I206 PolarHBondContact O-N 3.03Å; A192-I206 HydrophobicContact CB-CD1 4.49Å; A192-I206 HydrophobicContact CB-CG2 3.78Å
207K95.6Very high95.7Very high122 Ų12262.1 Ų62.153%0.5333%0.331SS..PPolyproline II helixtrans-73159.2173.4-65.7177.5-174.5164.40109.7Y157 R209Y157-K207 WeakPolarHBondContact CE2-O 3.34Å; Y157-K207 PolarHBondContact OH-N 2.97Å; K207-R209 PolarHBondContact O-N 2.84Å
208P94.3Very high95.7Very high79 Ų7961 Ų6151%0.51333%0.325SS..PPolyproline II helixtrans-52.1135.6170.8-26.435.3000111.4L160L160-P208 HydrophobicContact CD1-CB 3.74Å; L160-P208 HydrophobicContact CD1-CG 4.38Å; L160-P208 HydrophobicContact CD2-CB 4.5Å; L160-P208 HydrophobicContact CG-CB 3.97Å; L160-P208 PolarHBondContact N-O 3.2Å
209R94.8Very high95.8Very high48 Ų4859.3 Ų59.318%0.18131%0.314CS..BIsolated β-bridgetrans-83.8137.5-178.3-77.3148.9-68.2157.84110.2E109 Y157 K158 L160 V187 E188 R189 K207E109-R209 PolarHBondContact O-NH1 2.97Å; E109-R209 PolarHBondContact O-NH2 2.83Å; Y157-R209 HydrophobicContact CD2-CB 4.46Å; Y157-R209 HydrophobicContact CD2-CG 3.35Å; Y157-R209 HydrophobicContact CE2-CG 3.96Å; Y157-R209 HydrophobicContact CG-CG 3.98Å; K158-R209 CarbonylContact O-C 3.47Å; K158-R209 WeakPolarHBondContact O-CA 3.4Å; L160-R209 WeakPolarHBondContact CD2-O 3.34Å; V187-R209 VanDerWaalsContact CG1-NH1 3.3Å; E188-R209 PolarHBondContact O-NH2 2.94Å; E188-R209 VanDerWaalsContact O-NH2 3.11Å; R189-R209 PolarHBondContact O-NH2 3.1Å; K207-R209 PolarHBondContact O-N 2.84Å
210G92.9Very high95.9Very high11 Ų1154.5 Ų54.511%0.11329%0.288CS..  trans-89.6175172.700000112.4K158 G159K158-G210 PolarHBondContact O-N 2.9Å; G159-G210 WeakPolarHBondContact O-CA 3.3Å
211P94Very high95.8Very high116 Ų11647.3 Ų47.375%0.75326%0.262SS*.  trans-61.4146.217328.3-34.6000110.6
212I95.7Very high95.8Very high28 Ų2844 Ų4414%0.14424%0.244CC..  trans-106.4147.5175.964.1171.6000109.9L107 I133 Q141 V142 K158 T214L107-I212 HydrophobicContact CG-CD1 4.35Å; I133-I212 HydrophobicContact CD1-CD1 3.85Å; I133-I212 HydrophobicContact CG2-CD1 4.44Å; Q141-I212 HydrophobicContact CB-CB 4.11Å; Q141-I212 HydrophobicContact CB-CG2 4.31Å; V142-I212 HydrophobicContact CG2-CD1 4.48Å; V142-I212 HydrophobicContact CG2-CG2 3.74Å; K158-I212 HydrophobicContact CB-CG2 4.19Å; K158-I212 HydrophobicContact CG-CG2 4.24Å; I212-T214 HydrophobicContact CG1-CG2 4.31Å; I212-T214 PolarHBondContact O-N 3.03Å
213D95Very high95.7Very high57 Ų5742.2 Ų42.231%0.30524%0.237SC..  trans-72.9119.1171.7-174.5-15.7000110.3D135 Q141 D215D135-D213 HydrophobicContact CB-CB 3.91Å; D135-D213 WeakPolarHBondContact CB-OD2 3.38Å; Q141-D213 HydrophobicContact CG-CB 4.33Å; Q141-D213 VanDerWaalsContact OE1-N 3.14Å; D213-D215 WeakPolarHBondContact OD1-CB 3.34Å; D213-D215 PolarHBondContact OD1-N 2.66Å
214T94.5Very high95.4Very high31 Ų3141.7 Ų41.719%0.1924%0.235CC..  trans-972-17859.10000113.6T99 R100 Y103 I212 G216T99-T214 WeakPolarHBondContact CB-O 3.19Å; T99-T214 HydrophobicContact CG2-CG2 4.2Å; R100-T214 PolarHBondContact N-O 3.15Å; Y103-T214 WeakPolarHBondContact O-CG2 3.33Å; I212-T214 HydrophobicContact CG1-CG2 4.31Å; I212-T214 PolarHBondContact O-N 3.03Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.98Å
215D94.7Very high95Very high83 Ų8346.8 Ų46.844%0.44426%0.263SS..SBendtrans-76.9-13.8-177.5-82.4-39.3000114.2R100 D213R100-D215 IonicContact CZ-OD1 3.93Å; R100-D215 IonicContact NH1-OD1 2.82Å; R100-D215 PolarHBondContact NH1-OD1 2.76Å; R100-D215 PolarHBondContact NH2-O 3.22Å; R100-D215 VanDerWaalsContact NH2-O 3.1Å; R100-D215 IonicContact NH2-OD1 3.8Å; R100-D215 PolarHBondContact NH2-OD1 3Å; D213-D215 WeakPolarHBondContact OD1-CB 3.34Å; D213-D215 PolarHBondContact OD1-N 2.66Å
216G95.1Very high94.6Very high0 Ų044.6 Ų44.60%025%0.245CC..SBendtrans-91.6-135.3178.400000115.1P98 T99 Q134 D135 T214P98-G216 WeakPolarHBondContact CA-O 3.26Å; T99-G216 PolarHBondContact N-O 3.3Å; T99-G216 PolarHBondContact OG1-O 2.8Å; Q134-G216 CarbonylContact O-C 3.5Å; Q134-G216 VanDerWaalsContact O-CA 3.23Å; Q134-G216 WeakPolarHBondContact O-CA 3.41Å; D135-G216 VanDerWaalsContact C-CA 3.46Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.98Å
217F96.8Very high94.1Very high62 Ų6245.7 Ų45.727%0.27225%0.252SS..EExtended strand (participates in β ladder)trans-136.4142.8-170.3-60.1-91.9000112.5R96 I97 P98 T99 Q134 V219R96-F217 HydrophobicContact CB-CB 4.31Å; R96-F217 HydrophobicContact CB-CD1 4.23Å; R96-F217 HydrophobicContact CB-CG 4.49Å; R96-F217 HydrophobicContact CG-CD1 4.22Å; I97-F217 CarbonylContact O-C 3.6Å; I97-F217 VanDerWaalsContact O-CA 3.26Å; I97-F217 WeakPolarHBondContact O-CA 3.15Å; P98-F217 HydrophobicContact CG-CD1 4.31Å; P98-F217 HydrophobicContact CG-CE1 4.02Å; T99-F217 VanDerWaalsContact OG1-CA 3.27Å; T99-F217 WeakPolarHBondContact OG1-CA 3.33Å; T99-F217 PolarHBondContact OG1-N 2.84Å; Q134-F217 HydrophobicContact CG-CB 4.44Å; Q134-F217 WeakPolarHBondContact CG-O 3.33Å; Q134-F217 PolarHBondContact N-O 2.89Å; Q134-F217 PolarHBondContact O-N 2.79Å; F217-V219 HydrophobicContact CB-CG1 3.81Å
218A96.9Very high93.8Very high0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-81.2129.6156.400000108.2F63 R96 I97 T99 L102 Y103 Q132 I133F63-A218 VanDerWaalsContact CE1-O 3.3Å; F63-A218 WeakPolarHBondContact CE1-O 3.25Å; F63-A218 HydrophobicContact CZ-CB 3.88Å; F63-A218 WeakPolarHBondContact CZ-O 3.08Å; R96-A218 CarbonylContact C-O 3.6Å; R96-A218 WeakPolarHBondContact CA-O 3.46Å; I97-A218 PolarHBondContact N-O 2.96Å; I97-A218 PolarHBondContact O-N 3.21Å; T99-A218 PolarHBondContact OG1-N 3.34Å; L102-A218 HydrophobicContact CD1-CB 3.84Å; Y103-A218 HydrophobicContact CE2-CB 4.43Å; Q132-A218 CarbonylContact O-C 3.46Å; Q132-A218 WeakPolarHBondContact O-CA 3.32Å; I133-A218 HydrophobicContact CG1-CB 4.36Å
219V96.5Very high93.6Very high1 Ų144.6 Ų44.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-135.2154.3-174.6-54.90000111.9F95 R96 Q132 Q134 F217 K222F95-V219 WeakPolarHBondContact O-CA 3.16Å; R96-V219 HydrophobicContact CB-CG1 3.68Å; Q132-V219 HydrophobicContact CG-CG2 3.31Å; Q132-V219 PolarHBondContact N-O 2.91Å; Q132-V219 VanDerWaalsContact N-O 3.1Å; Q132-V219 PolarHBondContact O-N 3.28Å; Q134-V219 HydrophobicContact CG-CG1 4.41Å; F217-V219 HydrophobicContact CB-CG1 3.81Å; V219-K222 HydrophobicContact CB-CG 4.12Å; V219-K222 HydrophobicContact CG2-CB 4.46Å; V219-K222 HydrophobicContact CG2-CG 3.61Å
220L96.5Very high93.6Very high5 Ų543 Ų433%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-112.4139.9179.1-56.4-178.6000112.2F63 V65 L89 F95 I130 W131 K222 M238F63-L220 HydrophobicContact CB-CD1 4.08Å; F63-L220 HydrophobicContact CD1-CD1 3.94Å; F63-L220 HydrophobicContact CD1-CG 3.96Å; F63-L220 HydrophobicContact CD2-CD1 4.12Å; F63-L220 HydrophobicContact CD2-CD2 4.5Å; F63-L220 HydrophobicContact CD2-CG 4.38Å; F63-L220 HydrophobicContact CE1-CD1 4.35Å; F63-L220 HydrophobicContact CE1-CD2 4.43Å; F63-L220 HydrophobicContact CE1-CG 3.87Å; F63-L220 HydrophobicContact CE2-CD2 4.15Å; F63-L220 HydrophobicContact CE2-CG 4.31Å; F63-L220 HydrophobicContact CG-CD1 3.79Å; F63-L220 HydrophobicContact CG-CG 4.2Å; F63-L220 HydrophobicContact CZ-CD2 4.1Å; F63-L220 HydrophobicContact CZ-CG 4.04Å; V65-L220 HydrophobicContact CG2-CD1 4.44Å; L89-L220 HydrophobicContact CD2-CD1 4.32Å; F95-L220 HydrophobicContact CB-CB 4.1Å; F95-L220 HydrophobicContact CB-CD1 4.03Å; F95-L220 HydrophobicContact CB-CG 4.18Å; F95-L220 PolarHBondContact O-N 2.82Å; F95-L220 VanDerWaalsContact O-N 3.17Å; I130-L220 WeakPolarHBondContact O-CA 3.39Å; W131-L220 HydrophobicContact CB-CD2 4.21Å; W131-L220 HydrophobicContact CG-CD2 4.38Å; L220-K222 PolarHBondContact O-N 2.89Å; L220-M238 HydrophobicContact CD2-CE 4.11Å; L220-M238 HydrophobicContact CD2-SD 3.6Å; L220-M238 VanDerWaalsContact CD2-SD 3.6Å
221G95.6Very high93.7Very high2 Ų242.5 Ų42.52%0.02124%0.237CC..EExtended strand (participates in β ladder)trans59.447.3165.900000115N129 I130 S230 V231N129-G221 CarbonylContact O-C 3.59Å; N129-G221 WeakPolarHBondContact O-CA 3.41Å; N129-G221 PolarHBondContact O-N 2.58Å; N129-G221 VanDerWaalsContact O-N 3.15Å; I130-G221 PolarHBondContact O-N 2.94Å; G221-S230 CarbonylContact O-C 3.57Å; G221-S230 VanDerWaalsContact O-CA 3.31Å; G221-S230 WeakPolarHBondContact O-CA 3.31Å; G221-V231 PolarHBondContact O-N 3.34Å
222K94.9Very high93.7Very high3 Ų339.3 Ų39.31%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-99.5143.8-179.6-64.6-51.8-166.5173.80112D94 W128 N129 V219 L220 P227 S230D94-K222 WeakPolarHBondContact OD1-CE 3.27Å; D94-K222 IonicContact OD1-NZ 2.81Å; D94-K222 PolarHBondContact OD1-NZ 3.49Å; W128-K222 CarbonylContact C-O 3.53Å; W128-K222 VanDerWaalsContact CA-O 3.32Å; W128-K222 WeakPolarHBondContact CA-O 2.99Å; W128-K222 WeakPolarHBondContact CB-O 3.36Å; N129-K222 PolarHBondContact N-O 3.04Å; N129-K222 PolarHBondContact O-N 3Å; V219-K222 HydrophobicContact CB-CG 4.12Å; V219-K222 HydrophobicContact CG2-CB 4.46Å; V219-K222 HydrophobicContact CG2-CG 3.61Å; L220-K222 PolarHBondContact O-N 2.89Å; K222-P227 WeakPolarHBondContact CD-O 3.18Å; K222-P227 WeakPolarHBondContact CE-O 3.34Å; K222-S230 PolarHBondContact NZ-OG 3.11Å
223L94.6Very high93.8Very high39 Ų3938.3 Ų38.320%0.20421%0.211CC..EExtended strand (participates in β ladder)trans-65.3136.9173.9-16473.4000109.5K126 N127 D225 N226 V229 V231K126-L223 HydrophobicContact CB-CD1 4.21Å; K126-L223 HydrophobicContact CD-CD1 4.25Å; K126-L223 HydrophobicContact CG-CD1 4.45Å; N127-L223 WeakPolarHBondContact O-CD1 3.32Å; L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 3.01Å; L223-N226 HydrophobicContact CD2-CB 4.38Å; L223-N226 CarbonylContact O-C 3.51Å; L223-N226 PolarHBondContact O-N 3.09Å; L223-V229 HydrophobicContact CB-CB 4.15Å; L223-V229 HydrophobicContact CB-CG1 4.38Å; L223-V229 HydrophobicContact CD2-CG1 4.5Å; L223-V229 PolarHBondContact N-O 2.81Å; L223-V231 HydrophobicContact CB-CG2 4.1Å; L223-V231 HydrophobicContact CD1-CG2 3.82Å
224A91.8Very high93.9Very high32 Ų3236.6 Ų36.626%0.26420%0.202SC..SBendtrans-62.1-39.4-173.600000112.3N127 K145N127-A224 HydrophobicContact CB-CB 4.28Å; N127-A224 WeakPolarHBondContact O-CB 3.39Å; N127-A224 PolarHBondContact O-N 2.81Å; K145-A224 HydrophobicContact CD-CB 4.01Å
225D89.3Confident94Very high140 Ų14035.1 Ų35.175%0.74919%0.193SC*.SBendtrans-83.8-17.9-178.3-51.5-36.7000112.7L223L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 3.01Å
226N90.4Very high94.1Very high68 Ų6831.9 Ų31.936%0.36418%0.175SC..  trans-143.697.9-178.3-170.5-20.6000111.4L223 Q228 V229L223-N226 HydrophobicContact CD2-CB 4.38Å; L223-N226 CarbonylContact O-C 3.51Å; L223-N226 PolarHBondContact O-N 3.09Å; N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.47Å; N226-Q228 PolarHBondContact OD1-N 3.28Å; N226-Q228 VanDerWaalsContact OD1-N 3.09Å; N226-V229 HydrophobicContact CB-CB 4.39Å; N226-V229 HydrophobicContact CB-CG2 4.07Å; N226-V229 PolarHBondContact O-N 3.28Å
227P87.3Confident94.2Very high32 Ų3234.6 Ų34.621%0.20819%0.185CC..THydrogen-bonded Turntrans-68.7-10.5-175.727.9-34.9000113.7K222K222-P227 WeakPolarHBondContact CD-O 3.18Å; K222-P227 WeakPolarHBondContact CE-O 3.34Å
228Q87.4Confident94.2Very high118 Ų11831.6 Ų31.655%0.55117%0.172SC*.THydrogen-bonded Turntrans-80.5-24174-56.8-55.4-37.800112.1N226N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.47Å; N226-Q228 PolarHBondContact OD1-N 3.28Å; N226-Q228 VanDerWaalsContact OD1-N 3.09Å
229V91.4Very high94.2Very high60 Ų6032.4 Ų32.436%0.36418%0.176SC..SBendtrans-88.9116-176.6179.20000109.6L223 N226L223-V229 HydrophobicContact CB-CB 4.15Å; L223-V229 HydrophobicContact CB-CG1 4.38Å; L223-V229 HydrophobicContact CD2-CG1 4.5Å; L223-V229 PolarHBondContact N-O 2.81Å; N226-V229 HydrophobicContact CB-CB 4.39Å; N226-V229 HydrophobicContact CB-CG2 4.07Å; N226-V229 PolarHBondContact O-N 3.28Å
230S94.1Very high94.1Very high14 Ų1432.4 Ų32.410%0.09818%0.176CC..BIsolated β-bridgetrans-76.7148.2169.7-58.90000110.8G90 N91 G221 K222G90-S230 WeakPolarHBondContact O-CB 3.33Å; N91-S230 PolarHBondContact OD1-O 2.64Å; G221-S230 CarbonylContact O-C 3.57Å; G221-S230 VanDerWaalsContact O-CA 3.31Å; G221-S230 WeakPolarHBondContact O-CA 3.31Å; K222-S230 PolarHBondContact NZ-OG 3.11Å
231V95.1Very high94Very high2 Ų232.8 Ų32.81%0.01218%0.178CC..  trans-107.2135.2177.2175.50000109T123 K126 W128 G221 L223 F233T123-V231 HydrophobicContact CG2-CG1 3.41Å; T123-V231 VanDerWaalsContact CG2-CG1 3.41Å; K126-V231 HydrophobicContact CD-CG1 4.24Å; K126-V231 HydrophobicContact CD-CG2 4.47Å; W128-V231 HydrophobicContact CB-CB 4.26Å; W128-V231 HydrophobicContact CB-CG1 4.39Å; W128-V231 HydrophobicContact CB-CG2 3.72Å; W128-V231 HydrophobicContact CD2-CB 4.3Å; W128-V231 HydrophobicContact CD2-CG1 3.99Å; W128-V231 HydrophobicContact CE3-CB 4.3Å; W128-V231 HydrophobicContact CE3-CG1 4.35Å; W128-V231 HydrophobicContact CG-CB 4.3Å; W128-V231 HydrophobicContact CG-CG1 4Å; W128-V231 HydrophobicContact CG-CG2 4.22Å; G221-V231 PolarHBondContact O-N 3.34Å; L223-V231 HydrophobicContact CB-CG2 4.1Å; L223-V231 HydrophobicContact CD1-CG2 3.82Å; V231-F233 WeakPolarHBondContact O-CD1 3.48Å
232P94.9Very high93.9Very high49 Ų4933 Ų3332%0.31818%0.179SC..  trans-76.2126.2178.128.9-32.3000111.6L89 T123L89-P232 VanDerWaalsContact O-CA 3.3Å; L89-P232 WeakPolarHBondContact O-CA 3.29Å; T123-P232 PolarHBondContact OG1-O 2.78Å
233F96.8Very high93.8Very high7 Ų734.2 Ų34.23%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-157.1167.617574.4-72.4000109.6L89 F117 W128 I130 V231 L235L89-F233 HydrophobicContact CB-CD1 4.07Å; L89-F233 HydrophobicContact CB-CE1 3.72Å; L89-F233 HydrophobicContact CB-CZ 4.2Å; L89-F233 HydrophobicContact CD2-CE1 3.93Å; L89-F233 HydrophobicContact CD2-CZ 3.7Å; L89-F233 HydrophobicContact CG-CE1 4.46Å; L89-F233 PolarHBondContact N-O 2.95Å; L89-F233 PolarHBondContact O-N 3.12Å; L89-F233 VanDerWaalsContact O-N 3.11Å; L89-F233 VanDerWaalsContact O-O 3.05Å; F117-F233 HydrophobicContact CB-CD2 4.22Å; W128-F233 HydrophobicContact CH2-CB 3.89Å; W128-F233 HydrophobicContact CH2-CD1 4.03Å; W128-F233 AromaticContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CE2 4.34Å; W128-F233 AromaticContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CZ2-CB 4.44Å; W128-F233 HydrophobicContact CZ3-CB 4.46Å; W128-F233 AromaticContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD2 4.19Å; W128-F233 AromaticContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE2 4.34Å; W128-F233 AromaticContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CZ 4.25Å; I130-F233 HydrophobicContact CD1-CE2 4.15Å; I130-F233 HydrophobicContact CG1-CE2 4.01Å; I130-F233 HydrophobicContact CG1-CZ 4.29Å; V231-F233 WeakPolarHBondContact O-CD1 3.48Å; F233-L235 HydrophobicContact CD2-CB 4.48Å; F233-L235 HydrophobicContact CE2-CB 3.88Å; F233-L235 HydrophobicContact CE2-CD1 4.18Å; F233-L235 HydrophobicContact CE2-CG 4.45Å
234E97.1Very high93.8Very high21 Ų2133.2 Ų33.210%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-110.6132.6176.7-63.5174.2-176.600110.2V77 Y87 K88 F117 R118 W180V77-E234 HydrophobicContact CG2-CG 4.45Å; Y87-E234 CarbonylContact O-C 3.57Å; Y87-E234 VanDerWaalsContact O-CA 3.31Å; Y87-E234 WeakPolarHBondContact O-CA 3.3Å; K88-E234 HydrophobicContact CB-CG 4.3Å; K88-E234 HydrophobicContact CG-CG 4.23Å; F117-E234 CarbonylContact C-O 3.56Å; F117-E234 WeakPolarHBondContact CA-O 3.48Å; F117-E234 WeakPolarHBondContact CB-O 3.39Å; R118-E234 HydrophobicContact CB-CB 4.31Å; R118-E234 IonicContact CZ-OE1 3.96Å; R118-E234 IonicContact CZ-OE2 3.94Å; R118-E234 PolarHBondContact N-O 2.89Å; R118-E234 IonicContact NE-OE1 3.78Å; R118-E234 IonicContact NE-OE2 2.79Å; R118-E234 PolarHBondContact NE-OE2 3.2Å; R118-E234 IonicContact NH2-OE1 3.25Å; R118-E234 PolarHBondContact NH2-OE1 2.88Å; R118-E234 IonicContact NH2-OE2 3.43Å; R118-E234 PolarHBondContact NH2-OE2 2.89Å; R118-E234 PolarHBondContact O-N 3.38Å; W180-E234 HydrophobicContact CH2-CB 3.84Å; W180-E234 HydrophobicContact CZ2-CB 4.33Å; W180-E234 WeakPolarHBondContact CZ2-OE2 3.4Å
235L97.6Very high94Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-117.5122.9-176.1-176.861.7000109.8I60 A86 Y87 L89 T115 F117 F233 W237 M238I60-L235 HydrophobicContact CD1-CD2 4.5Å; I60-L235 HydrophobicContact CD1-CG 4.33Å; I60-L235 HydrophobicContact CG1-CD2 4.16Å; A86-L235 CarbonylContact C-O 3.58Å; A86-L235 WeakPolarHBondContact CA-O 3.33Å; Y87-L235 WeakPolarHBondContact CD2-O 3.38Å; Y87-L235 PolarHBondContact N-O 2.87Å; Y87-L235 PolarHBondContact O-N 2.91Å; L89-L235 HydrophobicContact CD1-CB 3.93Å; L89-L235 HydrophobicContact CD2-CB 4.5Å; L89-L235 HydrophobicContact CD2-CD2 4.17Å; T115-L235 WeakPolarHBondContact OG1-CD1 3.43Å; F117-L235 HydrophobicContact CB-CD1 4.41Å; F233-L235 HydrophobicContact CD2-CB 4.48Å; F233-L235 HydrophobicContact CE2-CB 3.88Å; F233-L235 HydrophobicContact CE2-CD1 4.18Å; F233-L235 HydrophobicContact CE2-CG 4.45Å; L235-W237 WeakPolarHBondContact CD1-O 3.45Å; L235-M238 HydrophobicContact CD1-CB 4.24Å; L235-M238 HydrophobicContact CD1-CE 3.79Å; L235-M238 HydrophobicContact CD2-CB 4.42Å; L235-M238 HydrophobicContact CD2-CE 4.03Å
236Q97.1Very high94.3Very high15 Ų1530.4 Ų30.47%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-100.7-40.9174.2177.8177.6-49.800111.5I60 S80 A86 T116 W180I60-Q236 WeakPolarHBondContact CD1-O 3.23Å; S80-Q236 PolarHBondContact OG-NE2 2.92Å; S80-Q236 PolarHBondContact OG-OE1 2.73Å; A86-Q236 HydrophobicContact CB-CB 4.06Å; T116-Q236 HydrophobicContact CG2-CB 4.15Å; T116-Q236 PolarHBondContact O-N 3.11Å; W180-Q236 HydrophobicContact CE3-CB 4.36Å; W180-Q236 HydrophobicContact CH2-CB 4.13Å; W180-Q236 HydrophobicContact CZ3-CB 3.63Å
237W96.5Very high94.5Very high56 Ų5627.3 Ų27.321%0.21214%0.142CC..EExtended strand (participates in β ladder)trans-149.3141.6-173.7-172.351.5000111.5L114 T115 T116 K182 L235 L239 E250L114-W237 HydrophobicContact CB-CE3 4.41Å; L114-W237 HydrophobicContact CB-CH2 4.04Å; L114-W237 HydrophobicContact CB-CZ3 3.77Å; L114-W237 HydrophobicContact CD2-CH2 3.79Å; L114-W237 HydrophobicContact CD2-CZ3 3.97Å; T115-W237 CarbonylContact C-O 3.47Å; T115-W237 WeakPolarHBondContact CA-O 3.46Å; T115-W237 WeakPolarHBondContact CB-O 3.34Å; T115-W237 PolarHBondContact OG1-O 2.81Å; T116-W237 PolarHBondContact N-O 2.85Å; T116-W237 PolarHBondContact O-N 2.65Å; K182-W237 HydrophobicContact CD-CZ3 4.31Å; L235-W237 WeakPolarHBondContact CD1-O 3.45Å; W237-L239 HydrophobicContact CH2-CB 4.5Å; W237-L239 HydrophobicContact CH2-CD2 3.99Å; W237-L239 HydrophobicContact CZ2-CB 3.87Å; W237-L239 HydrophobicContact CZ2-CD2 3.46Å; W237-L239 VanDerWaalsContact CZ2-CD2 3.46Å; W237-L239 HydrophobicContact CZ2-CG 4.29Å; W237-E250 WeakPolarHBondContact CZ3-OE1 3.28Å
238M97.3Very high94.9Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-151.8123.2173.1-168.2175.9-73.200110.6L59 I60 F113 L114 I130 W131 L220 L235L59-M238 HydrophobicContact CB-CB 4Å; L59-M238 HydrophobicContact CB-CG 3.82Å; L59-M238 HydrophobicContact CB-SD 3.94Å; L59-M238 HydrophobicContact CD2-CG 3.85Å; L59-M238 HydrophobicContact CD2-SD 3.54Å; L59-M238 VanDerWaalsContact CD2-SD 3.54Å; L59-M238 HydrophobicContact CG-CG 4.35Å; L59-M238 HydrophobicContact CG-SD 4.38Å; L59-M238 PolarHBondContact N-O 3.44Å; I60-M238 HydrophobicContact CG1-CB 4.45Å; F113-M238 HydrophobicContact CE2-CG 3.85Å; F113-M238 HydrophobicContact CE2-SD 4.01Å; F113-M238 HydrophobicContact CZ-CE 4.1Å; F113-M238 HydrophobicContact CZ-CG 3.92Å; F113-M238 HydrophobicContact CZ-SD 4.04Å; L114-M238 CarbonylContact O-C 3.55Å; L114-M238 WeakPolarHBondContact O-CA 3.47Å; I130-M238 HydrophobicContact CD1-CE 4.49Å; I130-M238 HydrophobicContact CG1-CE 3.92Å; W131-M238 HydrophobicContact CB-SD 4.21Å; L220-M238 HydrophobicContact CD2-CE 4.11Å; L220-M238 HydrophobicContact CD2-SD 3.6Å; L220-M238 VanDerWaalsContact CD2-SD 3.6Å; L235-M238 HydrophobicContact CD1-CB 4.24Å; L235-M238 HydrophobicContact CD1-CE 3.79Å; L235-M238 HydrophobicContact CD2-CB 4.42Å; L235-M238 HydrophobicContact CD2-CE 4.03Å
239L95.5Very high95.2Very high16 Ų1634 Ų348%0.08416%0.158CC..EExtended strand (participates in β ladder)trans-138.4135.6-173.2173.866.8000110.1F57 F113 L114 W237 H241F57-L239 WeakPolarHBondContact O-CA 3.46Å; F57-L239 WeakPolarHBondContact O-CD1 3.5Å; F113-L239 WeakPolarHBondContact CA-O 3.31Å; L114-L239 HydrophobicContact CB-CB 4.41Å; L114-L239 HydrophobicContact CD1-CD2 4.34Å; L114-L239 HydrophobicContact CD1-CG 4.48Å; L114-L239 PolarHBondContact N-O 2.83Å; L114-L239 PolarHBondContact O-N 2.87Å; W237-L239 HydrophobicContact CH2-CB 4.5Å; W237-L239 HydrophobicContact CH2-CD2 3.99Å; W237-L239 HydrophobicContact CZ2-CB 3.87Å; W237-L239 HydrophobicContact CZ2-CD2 3.46Å; W237-L239 VanDerWaalsContact CZ2-CD2 3.46Å; W237-L239 HydrophobicContact CZ2-CG 4.29Å; L239-H241 HydrophobicContact CD2-CB 4.31Å; L239-H241 HydrophobicContact CG-CB 4.33Å
240I95.4Very high95.3Very high2 Ų232.7 Ų32.71%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-107124160.1-70.3174.1000107.7G56 F57 L59 Y103 Y111 S112 F113 W131G56-I240 CarbonylContact C-O 3.56Å; G56-I240 WeakPolarHBondContact CA-O 3.3Å; F57-I240 HydrophobicContact CD2-CG2 4.49Å; F57-I240 PolarHBondContact N-O 2.71Å; F57-I240 PolarHBondContact O-N 3.08Å; L59-I240 HydrophobicContact CD1-CB 4.1Å; L59-I240 HydrophobicContact CD1-CD1 4.05Å; L59-I240 HydrophobicContact CD1-CG1 3.86Å; L59-I240 HydrophobicContact CD2-CD1 4.17Å; L59-I240 HydrophobicContact CD2-CG1 4.47Å; Y103-I240 WeakPolarHBondContact OH-CD1 3.43Å; Y111-I240 HydrophobicContact CD2-CG2 4.19Å; S112-I240 CarbonylContact O-C 3.59Å; S112-I240 WeakPolarHBondContact O-CA 3.47Å; F113-I240 HydrophobicContact CD2-CD1 4.3Å; F113-I240 HydrophobicContact CD2-CG1 3.81Å; W131-I240 HydrophobicContact CH2-CD1 3.87Å; W131-I240 HydrophobicContact CZ2-CD1 3.53Å
241H94.7Very high95.3Very high13 Ų1335.6 Ų35.66%0.0617%0.165CC..EExtended strand (participates in β ladder)trans-119.1139.1-177-163.5-85.7000110.3L54 Y111 S112 L114 L239 D243 R246L54-H241 PolarHBondContact O-CE1 3.03Å; L54-H241 PolarHBondContact O-NE2 2.99Å; Y111-H241 CarbonylContact C-O 3.52Å; Y111-H241 VanDerWaalsContact CA-O 3.28Å; Y111-H241 WeakPolarHBondContact CA-O 3.15Å; Y111-H241 WeakPolarHBondContact CB-O 3.41Å; S112-H241 PolarHBondContact N-O 3.01Å; S112-H241 PolarHBondContact O-N 2.9Å; L114-H241 HydrophobicContact CD1-CB 4.34Å; L239-H241 HydrophobicContact CD2-CB 4.31Å; L239-H241 HydrophobicContact CG-CB 4.33Å; H241-D243 VanDerWaalsContact ND1-CB 3.27Å; H241-D243 WeakPolarHBondContact ND1-CB 3.27Å; H241-D243 PolarHBondContact ND1-N 2.79Å; H241-D243 PolarHBondContact O-N 3.2Å; H241-R246 HydrophobicContact CB-CB 4.2Å; H241-R246 HydrophobicContact CB-CG 4.02Å
242C93Very high95.3Very high6 Ų636.8 Ų36.84%0.04117%0.173CC..SBendtrans-69-22.8-178.1-72.10000113.5C44 L54 P55 P244C44-C242 WeakPolarHBondContact CA-SG 3.49Å; C44-C242 HydrophobicContact CB-CB 3.57Å; C44-C242 WeakPolarHBondContact CB-SG 3.46Å; C44-C242 WeakPolarHBondContact SG-CA 3.18Å; C44-C242 WeakPolarHBondContact SG-CB 3.28Å; C44-C242 CovalentContact SG-SG 2.02Å; C44-C242 PolarHBondContact SG-SG 2.81Å; L54-C242 HydrophobicContact CB-CB 3.88Å; L54-C242 HydrophobicContact CD1-CB 4.34Å; L54-C242 HydrophobicContact CD2-CB 4.3Å; L54-C242 HydrophobicContact CG-CB 4.4Å; P55-C242 HydrophobicContact CG-CB 4.44Å; P55-C242 WeakPolarHBondContact O-CB 3.32Å; P55-C242 PolarHBondContact O-N 3.48Å; P55-C242 PolarHBondContact O-SG 2.84Å; P55-C242 VanDerWaalsContact O-SG 3.35Å; C242-P244 WeakPolarHBondContact O-CD 3.44Å
243D93Very high95.2Very high29 Ų2942.5 Ų42.516%0.15520%0.195CC..  trans-79.9115.8171-172.8-14.4000111.4L54 S112 H241 L245 R246 R249L54-D243 HydrophobicContact CB-CB 4.36Å; L54-D243 HydrophobicContact CD1-CB 3.88Å; S112-D243 WeakPolarHBondContact CB-O 3.07Å; S112-D243 PolarHBondContact OG-O 2.96Å; H241-D243 VanDerWaalsContact ND1-CB 3.27Å; H241-D243 WeakPolarHBondContact ND1-CB 3.27Å; H241-D243 PolarHBondContact ND1-N 2.79Å; H241-D243 PolarHBondContact O-N 3.2Å; D243-L245 PolarHBondContact O-N 2.95Å; D243-L245 WeakPolarHBondContact OD1-CA 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.24Å; D243-L245 PolarHBondContact OD1-N 2.73Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 VanDerWaalsContact O-CB 3.29Å; D243-R246 WeakPolarHBondContact O-CB 2.98Å; D243-R246 PolarHBondContact O-N 2.89Å; D243-R249 IonicContact OD2-CZ 3.84Å; D243-R249 IonicContact OD2-NH1 3.93Å; D243-R249 PolarHBondContact OD2-NH1 3.23Å; D243-R249 IonicContact OD2-NH2 2.93Å; D243-R249 PolarHBondContact OD2-NH2 2.93Å
244P94.9Very high95Very high18 Ų1844 Ų4412%0.11720%0.202CC..THydrogen-bonded Turntrans-67.8-21.6176.831.2-37.6000113.1E110 G186 E188 C242 P247E110-P244 HydrophobicContact CB-CB 4.32Å; E110-P244 HydrophobicContact CB-CG 4.03Å; G186-P244 WeakPolarHBondContact CA-O 3.44Å; E188-P244 HydrophobicContact CG-CB 3.97Å; E188-P244 HydrophobicContact CG-CG 4.36Å; C242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-P247 VanDerWaalsContact O-CD 3.3Å; P244-P247 WeakPolarHBondContact O-CD 3.45Å
245L95.1Very high94.7Very high69 Ų6943.9 Ų43.936%0.36120%0.202SC..THydrogen-bonded Turntrans-91.6-0179.3-55.1-178.4000112.9D243 P247 R248D243-L245 PolarHBondContact O-N 2.95Å; D243-L245 WeakPolarHBondContact OD1-CA 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.24Å; D243-L245 PolarHBondContact OD1-N 2.73Å; L245-P247 VanDerWaalsContact O-N 3.14Å; L245-R248 WeakPolarHBondContact O-CB 3.22Å; L245-R248 PolarHBondContact O-N 2.91Å
246R94.8Very high93.8Very high44 Ų4447 Ų4717%0.16622%0.222CC..G310 helixtrans-48.4-36.3174.4-177.962.1-172.970.64.5114.3S112 L114 H241 D243 R248 R249 E250S112-R246 WeakPolarHBondContact OG-CB 3.32Å; L114-R246 HydrophobicContact CD1-CG 4.21Å; L114-R246 HydrophobicContact CD2-CG 4.25Å; H241-R246 HydrophobicContact CB-CB 4.2Å; H241-R246 HydrophobicContact CB-CG 4.02Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 VanDerWaalsContact O-CB 3.29Å; D243-R246 WeakPolarHBondContact O-CB 2.98Å; D243-R246 PolarHBondContact O-N 2.89Å; R246-R248 VanDerWaalsContact C-N 3.25Å; R246-R248 PolarHBondContact O-N 2.77Å; R246-R249 WeakPolarHBondContact O-CG 3.45Å; R246-R249 PolarHBondContact O-N 2.97Å; R246-E250 IonicContact CZ-OE2 3.5Å; R246-E250 IonicContact NH1-OE2 3.88Å; R246-E250 PolarHBondContact NH1-OE2 2.85Å; R246-E250 IonicContact NH2-OE2 2.63Å; R246-E250 PolarHBondContact NH2-OE2 2.82Å
247P96.6Very high92.1Very high3 Ų351.3 Ų51.32%0.01926%0.26CS..G310 helixtrans-61.6-27.9175.5-27.138.2000114.4M184 F195 P244 L245 R249 E250M184-P247 HydrophobicContact CB-CB 3.77Å; M184-P247 HydrophobicContact CB-CG 3.89Å; M184-P247 HydrophobicContact CG-CB 4.46Å; M184-P247 HydrophobicContact SD-CB 3.88Å; F195-P247 HydrophobicContact CD2-CB 3.6Å; F195-P247 HydrophobicContact CD2-CG 4.36Å; F195-P247 HydrophobicContact CE2-CB 3.77Å; F195-P247 HydrophobicContact CE2-CG 4.43Å; F195-P247 HydrophobicContact CG-CB 4.06Å; F195-P247 HydrophobicContact CZ-CB 4.34Å; P244-P247 VanDerWaalsContact O-CD 3.3Å; P244-P247 WeakPolarHBondContact O-CD 3.45Å; L245-P247 VanDerWaalsContact O-N 3.14Å; P247-R249 VanDerWaalsContact C-N 3.27Å; P247-R249 PolarHBondContact O-N 2.94Å; P247-E250 PolarHBondContact O-N 2.64Å
248R94.9Very high90.5Very high184 Ų18452.7 Ų52.769%0.69427%0.266SS*.G310 helixtrans-70.5-23.1-177.9-61.5-179.168.4-163.41.3113.3F195 L245 R246F195-R248 HydrophobicContact CE1-CG 4.29Å; F195-R248 HydrophobicContact CZ-CG 3.93Å; L245-R248 WeakPolarHBondContact O-CB 3.22Å; L245-R248 PolarHBondContact O-N 2.91Å; R246-R248 VanDerWaalsContact C-N 3.25Å; R246-R248 PolarHBondContact O-N 2.77Å
249R93.5Very high88Confident106 Ų10661.1 Ų61.140%0.431%0.309SS..G310 helixtrans-103.76.2177.163.4173.6175.5-8313.1113.3D53 D243 R246 P247D53-R249 IonicContact OD1-CZ 3.02Å; D53-R249 IonicContact OD1-NE 2.74Å; D53-R249 IonicContact OD1-NH2 2.65Å; D53-R249 PolarHBondContact OD1-NH2 3.44Å; D243-R249 IonicContact OD2-CZ 3.84Å; D243-R249 IonicContact OD2-NH1 3.93Å; D243-R249 PolarHBondContact OD2-NH1 3.23Å; D243-R249 IonicContact OD2-NH2 2.93Å; D243-R249 PolarHBondContact OD2-NH2 2.93Å; R246-R249 WeakPolarHBondContact O-CG 3.45Å; R246-R249 PolarHBondContact O-N 2.97Å; P247-R249 VanDerWaalsContact C-N 3.27Å; P247-R249 PolarHBondContact O-N 2.94Å
250E94.4Very high85.4Confident32 Ų3264.3 Ų64.315%0.1533%0.329CS..  trans-80.5140.5177.4-171.161.6-168.200110.7L114 K182 M184 W237 R246 P247L114-E250 HydrophobicContact CD2-CB 4.47Å; L114-E250 HydrophobicContact CD2-CG 4.32Å; K182-E250 HydrophobicContact CD-CG 3.78Å; K182-E250 IonicContact NZ-OE1 3.61Å; K182-E250 PolarHBondContact NZ-OE1 2.83Å; M184-E250 HydrophobicContact CE-CB 4.23Å; M184-E250 HydrophobicContact CE-CG 4.28Å; M184-E250 HydrophobicContact SD-CB 3.56Å; M184-E250 VanDerWaalsContact SD-CB 3.56Å; M184-E250 HydrophobicContact SD-CG 3.57Å; M184-E250 VanDerWaalsContact SD-CG 3.57Å; W237-E250 WeakPolarHBondContact CZ3-OE1 3.28Å; R246-E250 IonicContact CZ-OE2 3.5Å; R246-E250 IonicContact NH1-OE2 3.88Å; R246-E250 PolarHBondContact NH1-OE2 2.85Å; R246-E250 IonicContact NH2-OE2 2.63Å; R246-E250 PolarHBondContact NH2-OE2 2.82Å; P247-E250 PolarHBondContact O-N 2.64Å
251T93.8Very high82.9Confident75 Ų7570.2 Ų70.246%0.4637%0.368SS..  trans-113.2158.9174.271.60000110.6K182 C198 H253K182-T251 PolarHBondContact NZ-O 2.83Å; C198-T251 PolarHBondContact SG-O 2.87Å; T251-H253 VanDerWaalsContact CB-ND1 3.27Å; T251-H253 WeakPolarHBondContact CB-ND1 3.5Å; T251-H253 PolarHBondContact OG1-ND1 2.65Å
252C94.8Very high80.2Confident27 Ų2773.3 Ų73.318%0.18239%0.39CS..  trans-121.529.8-175-770000112.2C198 E254 L255C198-C252 HydrophobicContact CB-CB 3.81Å; C198-C252 WeakPolarHBondContact CB-SG 3.19Å; C198-C252 PolarHBondContact N-SG 2.74Å; C198-C252 VanDerWaalsContact SG-CA 3.59Å; C198-C252 WeakPolarHBondContact SG-CB 3.3Å; C198-C252 PolarHBondContact SG-N 3.05Å; C198-C252 CovalentContact SG-SG 2.04Å; C198-C252 PolarHBondContact SG-SG 2.78Å; C252-E254 VanDerWaalsContact C-OE2 3.31Å; C252-E254 WeakPolarHBondContact CA-OE2 3.39Å; C252-E254 PolarHBondContact O-N 2.93Å; C252-E254 VanDerWaalsContact O-N 3.16Å; C252-L255 HydrophobicContact CB-CD1 3.88Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 WeakPolarHBondContact O-CB 3.04Å; C252-L255 PolarHBondContact O-N 3.13Å
253H92.3Very high77.8Confident169 Ų16982.1 Ų82.178%0.78243%0.431SS*.THydrogen-bonded Turntrans-60.7-22.7-179.8-63.9100.6000113.3T251T251-H253 VanDerWaalsContact CB-ND1 3.27Å; T251-H253 WeakPolarHBondContact CB-ND1 3.5Å; T251-H253 PolarHBondContact OG1-ND1 2.65Å
254E91.9Very high75.2Confident39 Ų3984.8 Ų84.818%0.18245%0.449CS..THydrogen-bonded Turntrans-80.6-15.9177.279.5-82.8-152.800113.6S80 Q84 K182 C252S80-E254 CarbonylContact C-O 3.55Å; S80-E254 VanDerWaalsContact CB-O 3.28Å; S80-E254 WeakPolarHBondContact CB-O 3.47Å; S80-E254 PolarHBondContact OG-O 2.76Å; Q84-E254 HydrophobicContact CG-CB 4.39Å; K182-E254 WeakPolarHBondContact CE-OE1 3.32Å; K182-E254 IonicContact NZ-OE1 2.61Å; K182-E254 PolarHBondContact NZ-OE1 3.35Å; K182-E254 IonicContact NZ-OE2 3Å; K182-E254 PolarHBondContact NZ-OE2 2.82Å; C252-E254 VanDerWaalsContact C-OE2 3.31Å; C252-E254 WeakPolarHBondContact CA-OE2 3.39Å; C252-E254 PolarHBondContact O-N 2.93Å; C252-E254 VanDerWaalsContact O-N 3.16Å
255L92.1Very high72.6Confident18 Ų1890.7 Ų90.79%0.09449%0.485CS..SBendtrans-76.3138.1175.3-61.2-176.3000109.4T116 W180 K182 D197 C252 A257T116-L255 HydrophobicContact CG2-CD2 4.11Å; W180-L255 HydrophobicContact CB-CD2 4.05Å; K182-L255 HydrophobicContact CB-CD1 4.12Å; D197-L255 HydrophobicContact CB-CD1 4.01Å; D197-L255 WeakPolarHBondContact OD1-CD1 3.41Å; C252-L255 HydrophobicContact CB-CD1 3.88Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 WeakPolarHBondContact O-CB 3.04Å; C252-L255 PolarHBondContact O-N 3.13Å; L255-A257 PolarHBondContact O-N 3.17Å
256P77.9Confident70Confident66 Ų6693.7 Ų93.743%0.42950%0.501SS..  trans-53.5133.9175.5-23.231.4000111S80 R258S80-P256 WeakPolarHBondContact O-CD 3.37Å; S80-P256 WeakPolarHBondContact O-CG 3.43Å; P256-R258 PolarHBondContact O-N 3.5Å
257A60.8Low67.7Low105 Ų105101.2 Ų101.287%0.86854%0.538SS*.  trans-56.4111.9178.900000110L255L255-A257 PolarHBondContact O-N 3.17Å
258R63.7Low65.1Low86 Ų86111.8 Ų111.833%0.32558%0.577SS.*  trans-77.3123.9174.1-71.3178.5-176.3-101.2-13.8108.7D177 W180 H181 D197 P256 T260D177-R258 IonicContact OD1-NH2 3.83Å; D177-R258 IonicContact OD2-CZ 2.76Å; D177-R258 IonicContact OD2-NH1 3.74Å; D177-R258 PolarHBondContact OD2-NH1 3.1Å; D177-R258 IonicContact OD2-NH2 2.68Å; D177-R258 PolarHBondContact OD2-NH2 3.47Å; W180-R258 PolarHBondContact O-NH2 3.34Å; H181-R258 PolarHBondContact CE1-NH2 2.94Å; H181-R258 PolarHBondContact ND1-NH2 3.03Å; H181-R258 PolarHBondContact NE2-NH2 3.39Å; D197-R258 IonicContact OD2-CZ 3.93Å; D197-R258 IonicContact OD2-NE 3.32Å; D197-R258 IonicContact OD2-NH2 3.92Å; P256-R258 PolarHBondContact O-N 3.5Å; R258-T260 HydrophobicContact CB-CG2 4.36Å; R258-T260 WeakPolarHBondContact CB-OG1 3.49Å; R258-T260 PolarHBondContact O-N 3.11Å; R258-T260 VanDerWaalsContact O-N 3.07Å
259I45.7Very low63Low176 Ų176105.5 Ų105.590%0.90357%0.57SS**  trans-79.374.4153.9-53172.8000105.7
260T41Very low60.8Low83 Ų83105.8 Ų105.851%0.50959%0.586SS.*  trans-93129.3164.922.30000107.7R258 S262R258-T260 HydrophobicContact CB-CG2 4.36Å; R258-T260 WeakPolarHBondContact CB-OG1 3.49Å; R258-T260 PolarHBondContact O-N 3.11Å; R258-T260 VanDerWaalsContact O-N 3.07Å; T260-S262 PolarHBondContact O-N 3.42Å
261P42.3Very low59.1Low127 Ų127110.4 Ų110.483%0.82562%0.619SS**  trans-69.379.8164.229.9-29.7000106.6Q263P261-Q263 PolarHBondContact O-N 3.48Å; P261-Q263 VanDerWaalsContact O-N 3.11Å
262S37.8Very low57Low77 Ų77109.6 Ų109.654%0.53863%0.625SS.*  trans-67.3114.7175.750.80000107.7T260 T264T260-S262 PolarHBondContact O-N 3.42Å; S262-T264 PolarHBondContact O-N 3.07Å; S262-T264 PolarHBondContact O-OG1 3.27Å
263Q42.9Very low55.2Low191 Ų191116.5 Ų116.589%0.89366%0.655SS**  trans-38.387.8132.2-73.1177.6-26.400108.2P261 T265P261-Q263 PolarHBondContact O-N 3.48Å; P261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-T265 VanDerWaalsContact C-N 3.35Å; Q263-T265 PolarHBondContact O-N 3.31Å
264T37.5Very low53.9Low85 Ų85117.7 Ų117.752%0.52166%0.661SS.*  trans-86.593.1154.530.70000103.1S262 D266S262-T264 PolarHBondContact O-N 3.07Å; S262-T264 PolarHBondContact O-OG1 3.27Å; T264-D266 PolarHBondContact O-N 2.91Å; T264-D266 VanDerWaalsContact O-N 3.1Å
265T40Very low52.2Low143 Ų143118.5 Ų118.588%0.87768%0.679SS**  trans-73.662141.951.70000106.9Q263Q263-T265 VanDerWaalsContact C-N 3.35Å; Q263-T265 PolarHBondContact O-N 3.31Å
266D42Very low50.8Low131 Ų131123.3 Ų123.370%0.70171%0.712SS**SBendtrans-100.1123.8136.5-105-28000102.3T264 R268T264-D266 PolarHBondContact O-N 2.91Å; T264-D266 VanDerWaalsContact O-N 3.1Å; D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.37Å
267E45.2Very low50.7Low203 Ų203126.4 Ų126.495%0.94973%0.731SS**  trans-5594.1172.8-78.9-173.7118.200109.4G269E267-G269 PolarHBondContact O-N 3.21Å
268R43.3Very low50.7Low224 Ų224124.3 Ų124.385%0.84572%0.72SS**  trans-73.5108.9164.3-174.5-177.2-66.5-135.4-0.8106D266D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.37Å
269G50.3Low50.8Low52 Ų52126 Ų12654%0.53674%0.742SS.*PPolyproline II helixtrans-52153.8169.700000111.5E267E267-G269 PolarHBondContact O-N 3.21Å
270P47.8Very low52.3Low113 Ų113123.6 Ų123.673%0.73474%0.738SS**PPolyproline II helixtrans-58.1149.8-173.923.9-32.7000112G272P270-G272 PolarHBondContact O-N 3.36Å
271P57Low53.3Low129 Ų129122.6 Ų122.684%0.83874%0.744SS**PPolyproline II helixtrans-55.7130.7175.2-20.531.3000110.9
272G51.5Low54.3Low58 Ų58122.3 Ų122.360%0.59874%0.742SS**PPolyproline II helixtrans-59.1150.8174.900000111.9P270P270-G272 PolarHBondContact O-N 3.36Å
273E56.7Low56.1Low172 Ų172124.6 Ų124.680%0.80476%0.755SS**PPolyproline II helixtrans-59.4142.8-178.9-70.5-168.1155.400111.2G275E273-G275 PolarHBondContact O-N 3.31Å; E273-G275 VanDerWaalsContact O-N 3.07Å
274Q63.8Low57Low194 Ų194118.8 Ų118.891%0.90775%0.747SS**  trans-63.3113.7178.3-172.3173.616.600109
275G57.4Low58Low55 Ų55121.4 Ų121.457%0.56776%0.763SS**PPolyproline II helixtrans-53.4150.3179.600000112.4E273E273-G275 PolarHBondContact O-N 3.31Å; E273-G275 VanDerWaalsContact O-N 3.07Å
276P61.9Low59.5Low120 Ų120120.4 Ų120.478%0.77976%0.758SS**PPolyproline II helixtrans-56.6146-175.522.8-32.7000111.3G278P276-G278 PolarHBondContact O-N 2.86Å
277P75.4Confident60.2Low130 Ų130117.2 Ų117.284%0.84476%0.756SS**PPolyproline II helixtrans-51.9127.2176.8-2432.4000110.3
278G60.7Low60.5Low61 Ų61115.8 Ų115.863%0.62975%0.753SS**PPolyproline II helixtrans-54.1144.1179.900000111.1P276P276-G278 PolarHBondContact O-N 2.86Å
279P65.9Low61.5Low121 Ų121112.7 Ų112.779%0.78675%0.753SS**PPolyproline II helixtrans-55141.7179.522.7-32.2000110.1G281P279-G281 PolarHBondContact O-N 2.88Å
280P77.9Confident61.5Low127 Ų127113.3 Ų113.383%0.82576%0.76SS**PPolyproline II helixtrans-50.7130176.8-25.333000110.2
281G62.5Low61.9Low62 Ų62116.5 Ų116.564%0.63977%0.769SS**PPolyproline II helixtrans-54.1144.318000000110.9P279P279-G281 PolarHBondContact O-N 2.88Å
282P63.6Low62.2Low120 Ų120117.9 Ų117.978%0.77977%0.77SS**PPolyproline II helixtrans-55.7139179.122.8-31.9000109.6G284P282-G284 PolarHBondContact O-N 3.28Å
283P74.4Confident62.2Low125 Ų125118.7 Ų118.781%0.81278%0.777SS**PPolyproline II helixtrans-52132.9175.1-23.231.5000109.8V285P283-V285 PolarHBondContact O-N 2.79Å
284G61.2Low61.9Low69 Ų69119 Ų11971%0.71179%0.785SS**PPolyproline II helixtrans-54.4132.9178.700000110.5P282 P286P282-G284 PolarHBondContact O-N 3.28Å; G284-P286 WeakPolarHBondContact O-CD 3.35Å
285V60.5Low61.8Low141 Ų141121.5 Ų121.586%0.85579%0.786SS**PPolyproline II helixtrans-56.7124.2173.8-88.30000109P283 G287P283-V285 PolarHBondContact O-N 2.79Å; V285-G287 PolarHBondContact O-N 2.76Å
286P70Confident61.8Low122 Ų122122 Ų12279%0.79279%0.79SS**PPolyproline II helixtrans-54138.7172.6-2534.2000110G284 I288G284-P286 WeakPolarHBondContact O-CD 3.35Å; P286-I288 PolarHBondContact O-N 2.99Å
287G56.4Low61.3Low63 Ų63123 Ų12365%0.64980%0.797SS**PPolyproline II helixtrans-55.3138.6176.700000110.6V285 D289V285-G287 PolarHBondContact O-N 2.76Å; G287-D289 PolarHBondContact O-N 3.44Å; G287-D289 VanDerWaalsContact O-N 3.1Å
288I53.2Low60.7Low174 Ų174126.8 Ų126.889%0.89280%0.8SS**  trans-65.6107.6173.243.3163.7000109.2P286P286-I288 PolarHBondContact O-N 2.99Å
289D62.7Low60.7Low158 Ų158126.6 Ų126.685%0.84580%0.798SS**  trans-66.2149.6167.5-68.9-35000110G287G287-D289 PolarHBondContact O-N 3.44Å; G287-D289 VanDerWaalsContact O-N 3.1Å
290G50.7Low60.3Low66 Ų66127.1 Ų127.168%0.6880%0.802SS**  trans-57.3142.5178.700000112.2D292G290-D292 PolarHBondContact O-N 2.78Å
291I56Low59.8Low180 Ų180127 Ų12792%0.92380%0.801SS**  trans-61.694.3174.423.5170.2000110.5
292D62.8Low59.8Low158 Ų158127 Ų12785%0.84580%0.801SS**  trans-86.9139.2162.9-82.7-20.8000110.2G290G290-D292 PolarHBondContact O-N 2.78Å
293G53.3Low59.7Low74 Ų74127.4 Ų127.476%0.76380%0.804SS**  trans-62.5151.1-166.200000116.3R295G293-R295 PolarHBondContact O-N 2.04Å
294D50.4Low59.5Low179 Ų179127.6 Ų127.696%0.95781%0.805SS**  trans-51.6114.3-173.4-65.8-43.9000113.7
295R60.2Low59.7Low247 Ų247127.4 Ų127.493%0.93280%0.803SS**  trans-107.7128.4167.3-153.1175.6-173.7-177.92.6109.4G293G293-R295 PolarHBondContact O-N 2.04Å
296G57.9Low59.8Low64 Ų64127.2 Ų127.266%0.6680%0.804SS**PPolyproline II helixtrans-59.4163.8-165.800000117K298G296-K298 PolarHBondContact O-N 3.24Å
297P52.3Low59.3Low142 Ų142126.2 Ų126.292%0.92281%0.807SS**PPolyproline II helixtrans-70.5127-164.427.7-34000112.5
298K61.3Low59.5Low209 Ų209126.7 Ų126.791%0.90981%0.811SS**PPolyproline II helixtrans-98.1134.2168.6-162.7175.7-178-177.70109.1G296G296-K298 PolarHBondContact O-N 3.24Å
299G60.5Low59.6Low57 Ų57127.7 Ų127.759%0.58881%0.812SS**PPolyproline II helixtrans-62.5162.2-170.200000115.5P301G299-P301 WeakPolarHBondContact O-CD 3.47Å
300P57.5Low59.8Low132 Ų132126.2 Ų126.286%0.85781%0.812SS**PPolyproline II helixtrans-69.6127.7-16927-33.1000112.4
301P68.4Low60.2Low125 Ų125126.5 Ų126.581%0.81281%0.814SS**PPolyproline II helixtrans-70.9143.2166.1-16.231.4000111.6G299G299-P301 WeakPolarHBondContact O-CD 3.47Å
302G62.2Low60.1Low62 Ų62127.8 Ų127.864%0.63981%0.813SS**PPolyproline II helixtrans-68.6162.8-176.900000114.8
303P62.1Low60Low128 Ų128126.6 Ų126.683%0.83181%0.814SS**PPolyproline II helixtrans-67.6132.3-171.726.4-33.1000112.3
304P70.6Confident60.1Low130 Ų130126.5 Ų126.584%0.84481%0.813SS**PPolyproline II helixtrans-65.8140.2171.9-19.832.2000112.3
305G65.1Low60.1Low65 Ų65122.7 Ų122.767%0.6781%0.806SS**PPolyproline II helixtrans-70.2159.8177.500000113.8
306P62.8Low60.1Low136 Ų136117.3 Ų117.388%0.88380%0.803SS**PPolyproline II helixtrans-66.7135.3-173.326.7-33.1000112.1
307A58.9Low59.8Low102 Ų102117.9 Ų117.984%0.84381%0.809SS**PPolyproline II helixtrans-72.5132.5178.900000111.5
308G60.8Low59.7Low72 Ų72120.7 Ų120.774%0.74281%0.807SS**PPolyproline II helixtrans-73.1148.9175.400000112.9
309E56.2Low59.4Low195 Ų195117.3 Ų117.391%0.91181%0.806SS**PPolyproline II helixtrans-64129.9-176.4-67.6-175159.400112.7
310P64.9Low58.7Low128 Ų128118.1 Ų118.183%0.83182%0.815SS**PPolyproline II helixtrans-68.1130.6175.1-20.832.9000113
311G59.7Low58.2Low71 Ų71118.4 Ų118.473%0.73281%0.814SS**PPolyproline II helixtrans-67.6147.5176.300000113.8
312K54.9Low57.4Low208 Ų208119 Ų11990%0.90482%0.818SS**PPolyproline II helixtrans-63.8132.5-176.6-64.5-178.1-179.9-177.70112.1
313P60.3Low56.8Low133 Ų133119.8 Ų119.886%0.86483%0.826SS**PPolyproline II helixtrans-66.2136.4177.1-21.533.1000113.4
314G55.3Low55.8Low72 Ų72118.6 Ų118.674%0.74283%0.827SS**PPolyproline II helixtrans-79.1156.4175.700000113.7
315A50.8Low54.8Low99 Ų99120.8 Ų120.882%0.81883%0.832SS**PPolyproline II helixtrans-65.8141.8-174.700000113.2G317A315-G317 PolarHBondContact O-N 3.5Å
316P58.7Low53.9Low134 Ų134120.9 Ų120.987%0.8783%0.833SS**PPolyproline II helixtrans-66.5130.2-179.9-19.431.7000113.3
317G52.6Low52.8Low76 Ų76123 Ų12378%0.78484%0.836SS**PPolyproline II helixtrans-80.2150.7174.900000113.4A315A315-G317 PolarHBondContact O-N 3.5Å
318K50.1Low52.7Low201 Ų201125.5 Ų125.587%0.87484%0.841SS**PPolyproline II helixtrans-72.1151.2-177.5-64.6-179.2179.4-178.30112.3
319P56Low52Low137 Ų137125.1 Ų125.189%0.8984%0.836SS**PPolyproline II helixtrans-71.2131.1-172.9-11.327000112.2
320G44.7Very low51.6Low74 Ų74122.1 Ų122.176%0.76383%0.834SS**  trans-109.9146.3174.200000112.3
321T47.7Very low51.1Low139 Ų139124.1 Ų124.185%0.85384%0.837SS**  trans-64.6144.9-167.6460000115.5
322P52Low50.1Low137 Ų137124.6 Ų124.689%0.8984%0.842SS**  trans-76.6142.4178-12.628.4000114.1
323G48.9Very low49.6Very low78 Ų78119.8 Ų119.880%0.80484%0.835SS**  trans148.7107150.400000115.5
324A40.4Very low49.5Very low104 Ų104119.5 Ų119.586%0.8683%0.833SS**  trans169.3115.713100000109.6
325D49.3Very low49Very low175 Ų175119.1 Ų119.194%0.93683%0.829SS**  trans-79.4149.3172.8-74-36.5000112.1
326G47.7Very low48.8Very low67 Ų67119.9 Ų119.969%0.69183%0.829SS**  trans121.5114.1143.500000116.4
327L39.3Very low48.3Very low181 Ų181120.2 Ų120.295%0.94883%0.828SS**  170.3113.4110.1-83.9173.5000109.1
328T57.3Low48Very low155 Ų155119.7 Ų119.795%0.95182%0.823SS**  trans-82.8137.4171.3-53.30000110.6
329G44.7Very low48.3Very low63 Ų63116 Ų11665%0.64982%0.819SS**  trans175164.515500000111.6
330P47.5Very low47.8Very low132 Ų132117.6 Ų117.686%0.85781%0.812SS**  cis-121163.4-34.633.9-18.5000111.8
331D54.5Low47.9Very low170 Ų170118 Ų11891%0.90982%0.816SS**  trans-64.5145.5176.6-72.7-34.3000113.7
332G40.3Very low47.7Very low81 Ų81118.9 Ų118.984%0.83581%0.811SS**  trans-121.3105.1166.900000111.5
333S42.5Very low47.3Very low108 Ų108122.6 Ų122.676%0.75581%0.813SS**  trans-100.3-166.7171.260.10000109.2
334P59.8Low47Very low126 Ų126122.2 Ų122.282%0.81881%0.809SS**  cis-135.3-169.9-42.127.2-4.7000111.5
335G43.5Very low47.3Very low64 Ų64126.3 Ų126.366%0.6681%0.81SS**  trans177.992.5150.300000112.1
336S48.1Very low47.7Very low116 Ų116123.9 Ų123.981%0.81180%0.804SS**  68.61228672.90000112
337V48Very low47.4Very low141 Ų141124 Ų12486%0.85581%0.805SS**  -176.8136.178.5163.50000104.3
338G45.1Very low47.7Very low65 Ų65122.1 Ų122.167%0.6780%0.801SS**  125.8174.957.900000108.6
339P56.2Low47.7Very low122 Ų122121 Ų12179%0.79280%0.796SS**  -127.5166.1-97.439.3-29.1000116.8
340K46.2Very low47.6Very low172 Ų172121.6 Ų121.675%0.74880%0.802SS**  trans91.5124.7134.1-119.1178.5-178.1-179.60121.6
341G46.4Very low47.5Very low82 Ų82121.1 Ų121.185%0.84580%0.802SS**  trans-164.6114.5144.100000110.2
342Q44.7Very low47.5Very low158 Ų158123.9 Ų123.974%0.73880%0.8SS**  trans-100.9158.5-167-79.9177.3-12.900114.2
343K42.4Very low47.7Very low215 Ų215123.3 Ų123.394%0.93579%0.794SS**  trans110129.2144.7-150.3175.8-168.5-175.50115
344G42.6Very low47.8Very low70 Ų70127.7 Ų127.772%0.72280%0.8SS**  cis-151.1158.315.900000115.8
345E47.8Very low47.5Very low189 Ų189127.2 Ų127.288%0.88380%0.797SS**  trans-94.5-170.1167.5-52.5175135.100109.3
346P57Low47.6Very low125 Ų125128 Ų12881%0.81281%0.805SS**  cis-140.9175.8-12.915.911000115.3
347G40.7Very low47.9Very low70 Ų70135 Ų13572%0.72281%0.814SS**  trans157.4132.5142.500000112.8
348V46.3Very low47.9Very low141 Ų141131.7 Ų131.786%0.85581%0.809SS**  cis-151.8144.87.7177.60000108.3
349P57.9Low48.1Very low130 Ų130136.6 Ų136.684%0.84482%0.818SS**  trans-89.8156.8-179.11.718000114.7
350G42.6Very low47.9Very low76 Ų76136.5 Ų136.578%0.78482%0.817SS**  trans165.3136.8154.900000110.2
351S45.3Very low48.5Very low122 Ų122131.1 Ų131.185%0.85381%0.81SS**  cis-160.4140.2-5.144.40000106.5
352R53.7Low49.4Very low228 Ų228133.1 Ų133.186%0.8681%0.809SS**PPolyproline II helixtrans-81.2128.6-178.3-172.9178.3-175.3171.92.3111.3
353G46.1Very low50.5Low69 Ų69132 Ų13271%0.71182%0.815SS**PPolyproline II helixtrans-89.6141.9161.900000111.6
354F43.5Very low51.3Low200 Ų200124.6 Ų124.688%0.87780%0.8SS**PPolyproline II helixtrans-76.4157.4-170.6-84.8-90.6000114.8
355P53.8Low52.4Low116 Ų116127 Ų12775%0.75380%0.803SS**PPolyproline II helixtrans-83.3136.4-172.133.2-30.8000112.9
356G45.7Very low53.5Low82 Ų82124.3 Ų124.385%0.84580%0.801SS**  trans-105.6125.4170.100000111.1
357R53.6Low53.4Low262 Ų262121.7 Ų121.799%0.98980%0.797SS**  trans-86.6126.1179.9-161.1-180-174.6-156.91.8108.8
358G48.1Very low54.2Low72 Ų72125.1 Ų125.174%0.74280%0.804SS**  trans-161.2134.2174.700000110.8
359I50.5Low54.5Low168 Ų168123 Ų12386%0.86280%0.802SS**PPolyproline II helixtrans-69152-168.6-69.3165.8000111.8
360P50.7Low53.9Low120 Ų120120 Ų12078%0.77979%0.794SS**PPolyproline II helixtrans-65.5133-166.3-21.735000115.1
361G60.4Low54.4Low59 Ų59124.7 Ų124.761%0.60880%0.8SS**PPolyproline II helixtrans-80162.6160.200000111.7
362P64.6Low55.1Low124 Ų124124.8 Ų124.881%0.80580%0.798SS**PPolyproline II helixtrans-54.4144.117923-33.4000111.7G364P362-G364 PolarHBondContact O-N 2.63Å; P362-G364 VanDerWaalsContact O-N 3.13Å
363P67.8Low55.1Low135 Ų135117.4 Ų117.488%0.87779%0.793SS**PPolyproline II helixtrans-50.6122174-25.333.1000110.8
364G59.9Low55.5Low59 Ų59123.8 Ų123.861%0.60880%0.804SS**PPolyproline II helixtrans-63.7157.6175.800000111.7P362P362-G364 PolarHBondContact O-N 2.63Å; P362-G364 VanDerWaalsContact O-N 3.13Å
365P65.4Low55.8Low121 Ų121122.6 Ų122.679%0.78681%0.806SS**PPolyproline II helixtrans-54.7146174.124.7-33.6000110.5G367P365-G367 PolarHBondContact O-N 2.91Å
366P69.1Low55.9Low131 Ų131120.1 Ų120.185%0.85180%0.801SS**PPolyproline II helixtrans-48.7128.8171.1-24.932.6000110.4
367G55.8Low56.2Low70 Ų70128.3 Ų128.372%0.72281%0.807SS**PPolyproline II helixtrans-58.8143.6179.800000111.7P365 A369P365-G367 PolarHBondContact O-N 2.91Å; G367-A369 PolarHBondContact O-N 2.79Å
368T56.6Low56.4Low143 Ų143122.6 Ų122.688%0.87780%0.801SS**PPolyproline II helixtrans-52.3127.316849.80000109.4G370T368-G370 PolarHBondContact O-N 2.88Å
369A52.6Low57Low97 Ų97121.7 Ų121.780%0.80279%0.791SS**PPolyproline II helixtrans-51137.9171.700000110.6G367G367-A369 PolarHBondContact O-N 2.79Å
370G47.2Very low57.5Low67 Ų67120.2 Ų120.269%0.69179%0.792SS**PPolyproline II helixtrans-56.9144.6175.900000111.9T368 P372T368-G370 PolarHBondContact O-N 2.88Å; G370-P372 WeakPolarHBondContact O-CD 3.36Å
371L51.9Low58.1Low174 Ų174121.3 Ų121.391%0.91180%0.797SS**PPolyproline II helixtrans-54.4124.2173.6-72.1164.2000109.7
372P59.4Low57.8Low123 Ų123121.6 Ų121.680%0.79980%0.8SS**PPolyproline II helixtrans-60.9138.5167.5-18.531000109.9G370G370-P372 WeakPolarHBondContact O-CD 3.36Å
373G53.4Low57.4Low73 Ų73123.3 Ų123.375%0.75380%0.802SS**PPolyproline II helixtrans-57.2150.9-178.600000113.9L375G373-L375 PolarHBondContact O-N 2.99Å; G373-L375 VanDerWaalsContact O-N 3.08Å
374E55.6Low57.1Low204 Ų204122.8 Ų122.895%0.95380%0.799SS**  trans-55.5111.8178.6-79.1-174.9136.800111.6
375L49.1Very low57Low175 Ų175123.7 Ų123.792%0.91681%0.808SS**PPolyproline II helixtrans-73.8130.3165.3-160.379.6000108.6G373G373-L375 PolarHBondContact O-N 2.99Å; G373-L375 VanDerWaalsContact O-N 3.08Å
376G57Low56.6Low63 Ų63130 Ų13065%0.64982%0.816SS**PPolyproline II helixtrans-53.8146.6-171.400000115.6V378G376-V378 PolarHBondContact O-N 2.76Å
377R51.4Low56.2Low254 Ų254135.4 Ų135.496%0.95882%0.819SS**PPolyproline II helixtrans-57.1116.4-179.9-68.1-176.9179.6-167.3-0111.5
378V58.2Low56.3Low143 Ų143135.3 Ų135.387%0.86782%0.818SS**PPolyproline II helixtrans-72.2135.4165.6179.80000109G376G376-V378 PolarHBondContact O-N 2.76Å
379G59.5Low56.3Low53 Ų53140.1 Ų140.155%0.54682%0.82SS.*PPolyproline II helixtrans-62.8161.5-178.100000114.1V381G379-V381 PolarHBondContact O-N 3.28Å
380P62.3Low56.9Low136 Ų136141.7 Ų141.788%0.88382%0.822SS**PPolyproline II helixtrans-63136.9-175.325.3-32.7000112.1
381V62.1Low57.3Low143 Ų143141.6 Ų141.687%0.86782%0.822SS**PPolyproline II helixtrans-63.9130.9175.11750000109.6G379G379-V381 PolarHBondContact O-N 3.28Å
382G55.9Low57.4Low65 Ų65139.2 Ų139.267%0.6782%0.816SS**PPolyproline II helixtrans-66.7147.5177.700000113.4
383D55.8Low57.7Low161 Ų161139.4 Ų139.486%0.86182%0.818SS**PPolyproline II helixtrans-57.5135.8-175-72.4-49.3000113.3G385D383-G385 PolarHBondContact O-N 3.16Å
384P61.8Low57.7Low124 Ų124139 Ų13981%0.80581%0.813SS**PPolyproline II helixtrans-61.4131.9175.7-22.132.4000112.8
385G57.4Low57.7Low77 Ų77135 Ų13579%0.79481%0.805SS**PPolyproline II helixtrans-58.5141.1179.300000114D383 R387D383-G385 PolarHBondContact O-N 3.16Å; G385-R387 PolarHBondContact O-N 2.9Å
386R56.1Low58.4Low253 Ų253132.8 Ų132.896%0.95580%0.801SS**PPolyproline II helixtrans-59.7132.3-179.1-75.9-175.6174.3-125.50.7111.7
387R61.5Low58.2Low246 Ų246132.8 Ų132.893%0.92880%0.801SS**PPolyproline II helixtrans-61.1133.1177.8-143.4-179.6-62.5-153.91.7110.8G385G385-R387 PolarHBondContact O-N 2.9Å
388G56.8Low58.2Low68 Ų68126.9 Ų126.970%0.70180%0.796SS**PPolyproline II helixtrans-63.4150.4178.100000113.1
389R57.1Low58.2Low244 Ų244125.9 Ų125.992%0.92180%0.795SS**PPolyproline II helixtrans-62.5142.9-179.5-65.9-176.3-178.5-147.10.9110.7
390P64.6Low57.6Low130 Ų130126.9 Ų126.984%0.84481%0.805SS**PPolyproline II helixtrans-55.8138.8173.7-2333.1000111.5
391G56.8Low56.6Low65 Ų65127.2 Ų127.267%0.6781%0.805SS**PPolyproline II helixtrans-65.7149.3177.400000112
392P53.3Low55.8Low123 Ų123128 Ų12880%0.79980%0.802SS**PPolyproline II helixtrans-62.7150.1-179.425.8-33000111.6
393P65.4Low54.9Low128 Ų128127.7 Ų127.783%0.83180%0.8SS**PPolyproline II helixtrans-56.6141.6175.2-21.332000111.6
394G54.5Low54.2Low63 Ų63130 Ų13065%0.64980%0.802SS**PPolyproline II helixtrans-62.6149.5178.400000112.4
395P54.5Low53.2Low122 Ų122132 Ų13279%0.79280%0.801SS**PPolyproline II helixtrans-62.4148.9-177.825.4-33.1000111.7
396P64.9Low52.3Low127 Ų127136.6 Ų136.683%0.82581%0.807SS**PPolyproline II helixtrans-56.4140.7174.5-20.631.1000111.3
397G53.2Low51.5Low63 Ų63127.8 Ų127.865%0.64980%0.795SS**PPolyproline II helixtrans-60.3150.3176.500000112
398P51.4Low50.5Low131 Ų131123.5 Ų123.585%0.85179%0.791SS**PPolyproline II helixtrans-61.9140.4-176.425.1-32.9000111.6
399S58.2Low50.4Low122 Ų122125.1 Ų125.185%0.85379%0.789SS**PPolyproline II helixtrans-58.4135.5176.5-580000111.2
400G45.8Very low49.5Very low73 Ų73121.4 Ų121.475%0.75379%0.786SS**PPolyproline II helixtrans-58.8139.6178.100000112.2I402G400-I402 PolarHBondContact O-N 3Å
401T41Very low48.2Very low144 Ų144120.8 Ų120.888%0.88378%0.784SS**PPolyproline II helixtrans-62.6129.4177.141.90000111.5G403T401-G403 PolarHBondContact O-N 2.84Å
402I46.4Very low48.1Very low158 Ų158122.9 Ų122.981%0.8179%0.786SS**PPolyproline II helixtrans-65.6118.8171.4-63.8166.7000108.4G400G400-I402 PolarHBondContact O-N 3Å
403G36.9Very low47.7Very low60 Ų60124.6 Ų124.662%0.61979%0.788SS**  trans-79.3114.9171.100000110.3T401T401-G403 PolarHBondContact O-N 2.84Å
404F40Very low46.6Very low208 Ų208123.3 Ų123.391%0.91279%0.788SS**  trans-77.6133.3162-110.4-96000109
405H40.7Very low45.9Very low168 Ų168126.3 Ų126.378%0.77880%0.798SS**  trans-85.1158.6-177.4-80.9-94.1000112.6
406D40.1Very low45.7Very low172 Ų172125.9 Ų125.992%0.9280%0.795SS**  trans-144.2106.3138.1-95.4-40.6000111.2
407G37.8Very low45.2Very low69 Ų69125.9 Ų125.971%0.71180%0.795SS**  trans68.2133.1152.800000121
408D41.4Very low45Very low156 Ų156126.3 Ų126.383%0.83480%0.799SS**  cis-173.9-178.7-11.1-1453.6000106
409P53.8Low44.8Very low101 Ų101131.2 Ų131.266%0.65680%0.801SS**  -106.1167.6-90.332.1-14.6000113
410L39Very low44.5Very low166 Ų166130.9 Ų130.987%0.86980%0.799SS**  trans173.694.6141.5-90.8166.1000111.3
411C37Very low44.6Very low117 Ų117130.6 Ų130.679%0.79180%0.796SS**  139.4126.4128.5-790000114.4
412P53.8Low44.9Very low110 Ų110133.8 Ų133.871%0.71479%0.793SS**  trans-94.9154.3-177.338.5-33.4000112.6
413N45.9Very low45.4Very low159 Ų159132 Ų13285%0.8579%0.792SS**SBendtrans80.6106163-55.8-26.8000118.7
414A43Very low46Very low100 Ų100132.5 Ų132.583%0.82680%0.797SS**  trans67.192.3156.400000119
415C39.2Very low46.3Very low126 Ų126130.4 Ų130.485%0.85180%0.795SS**PPolyproline II helixtrans-91.4138.2152.4-67.10000109.9
416P50.9Low47Very low113 Ų113128.1 Ų128.173%0.73480%0.795SS**PPolyproline II helixtrans-66.6150.1177.228-32.8000110.6G418P416-G418 PolarHBondContact O-N 2.91Å
417P53.7Low47.5Very low128 Ų128123.4 Ų123.483%0.83179%0.787SS**PPolyproline II helixtrans-55.4126.6174.320.3-29.1000109.8
418G49.6Very low47.7Very low72 Ų72128.2 Ų128.274%0.74279%0.793SS**PPolyproline II helixtrans-53.8140175.700000110.5P416 S420P416-G418 PolarHBondContact O-N 2.91Å; G418-S420 PolarHBondContact O-N 3.31Å
419R47.2Very low48.2Very low233 Ų233132.2 Ų132.288%0.87980%0.796SS**PPolyproline II helixtrans-46.1128.3179.4-77.7-179.4167-166.4-3.7110.4G421R419-G421 PolarHBondContact O-N 3.01Å
420S50.7Low48.1Very low115 Ų115130.6 Ų130.680%0.80480%0.798SS**PPolyproline II helixtrans-49.1128.4168.530.20000109.6G418G418-S420 PolarHBondContact O-N 3.31Å
421G48.9Very low48Very low68 Ų68130.9 Ų130.970%0.70179%0.794SS**PPolyproline II helixtrans-56.2140.9175.700000110.6R419R419-G421 PolarHBondContact O-N 3.01Å
422Y47.4Very low48.4Very low210 Ų210135.2 Ų135.282%0.82480%0.8SS**PPolyproline II helixtrans-51.8137.6175.7-72.1-87.3000110.5G424Y422-G424 PolarHBondContact O-N 2.95Å
423P55.8Low48.4Very low120 Ų120133.2 Ų133.278%0.77980%0.799SS**PPolyproline II helixtrans-52.3130.7168.7-21.230.7000109.2L425P423-L425 PolarHBondContact O-N 3.14Å
424G50.8Low48.3Very low71 Ų71130.5 Ų130.573%0.73280%0.798SS**PPolyproline II helixtrans-53.2134.1173.700000109.9Y422Y422-G424 PolarHBondContact O-N 2.95Å
425L45.6Very low48.4Very low164 Ų164135.2 Ų135.286%0.85980%0.8SS**PPolyproline II helixtrans-47.7131.1176-75.2163.1000109.4P423 G427P423-L425 PolarHBondContact O-N 3.14Å; L425-G427 PolarHBondContact O-N 3.02Å; L425-G427 VanDerWaalsContact O-N 3.09Å
426P55.3Low49Very low121 Ų121132.6 Ų132.679%0.78679%0.794SS**PPolyproline II helixtrans-51.9122.1173.6-24.832.9000109.2M428P426-M428 PolarHBondContact O-N 3.01Å
427G50.4Low48.8Very low73 Ų73136.2 Ų136.275%0.75380%0.801SS**PPolyproline II helixtrans-51.5125.3179.600000109.8L425 R429L425-G427 PolarHBondContact O-N 3.02Å; L425-G427 VanDerWaalsContact O-N 3.09Å; G427-R429 PolarHBondContact O-N 3.15Å; G427-R429 VanDerWaalsContact O-N 3.1Å
428M41.8Very low48.4Very low169 Ų169138.1 Ų138.183%0.83380%0.803SS**PPolyproline II helixtrans-52.9122.6178.2-70.3-176.666.800108.8P426 G430P426-M428 PolarHBondContact O-N 3.01Å; M428-G430 PolarHBondContact O-N 2.75Å; M428-G430 VanDerWaalsContact O-N 3.13Å
429R52Low48.1Very low241 Ų241137.9 Ų137.991%0.90980%0.8SS**PPolyproline II helixtrans-55.5119.5175.5-158.9-178.4-64-1481.9107.2G427 H431G427-R429 PolarHBondContact O-N 3.15Å; G427-R429 VanDerWaalsContact O-N 3.1Å; R429-H431 PolarHBondContact O-N 3Å
430G52.1Low48.1Very low66 Ų66134.8 Ų134.868%0.6880%0.796SS**PPolyproline II helixtrans-50.8133.3-178.100000111.2M428 K432M428-G430 PolarHBondContact O-N 2.75Å; M428-G430 VanDerWaalsContact O-N 3.13Å; G430-K432 PolarHBondContact O-N 3.45Å
431H37.8Very low48.3Very low173 Ų173135.3 Ų135.380%0.80180%0.797SS**PPolyproline II helixtrans-49.1129.4177.1-57.4-83.8000109.6R429 G433R429-H431 PolarHBondContact O-N 3Å; H431-G433 PolarHBondContact O-N 3.22Å; H431-G433 VanDerWaalsContact O-N 3.11Å
432K44.8Very low47.9Very low208 Ų208136 Ų13690%0.90480%0.803SS**PPolyproline II helixtrans-55.4118.3172.1-167.5178.8-175.1-176.40107G430 A434G430-K432 PolarHBondContact O-N 3.45Å; K432-A434 PolarHBondContact O-N 3.1Å
433G53.9Low47.5Very low67 Ų67136.6 Ų136.669%0.69180%0.804SS**PPolyproline II helixtrans-52.8134.3177.400000110H431 K435H431-G433 PolarHBondContact O-N 3.22Å; H431-G433 VanDerWaalsContact O-N 3.11Å; G433-K435 PolarHBondContact O-N 3.06Å
434A42.6Very low47.2Very low102 Ų102139.9 Ų139.984%0.84381%0.809SS**PPolyproline II helixtrans-51.7138174.400000109.5K432 G436K432-A434 PolarHBondContact O-N 3.1Å; A434-G436 PolarHBondContact O-N 3.46Å
435K46.2Very low46.7Very low200 Ų200140 Ų14087%0.8781%0.81SS**PPolyproline II helixtrans-54.1124.4172.2-177.1-178.5178-173.20107.5G433 E437G433-K435 PolarHBondContact O-N 3.06Å; K435-E437 PolarHBondContact O-N 3.16Å
436G51.8Low46.2Very low70 Ų70141 Ų14172%0.72281%0.81SS**PPolyproline II helixtrans-55123.6-178.900000110.9A434A434-G436 PolarHBondContact O-N 3.46Å
437E45.6Very low45.5Very low189 Ų189145.3 Ų145.388%0.88382%0.817SS**PPolyproline II helixtrans-64140168.1-72.9178.9149.600108.9K435 G439K435-E437 PolarHBondContact O-N 3.16Å; E437-G439 PolarHBondContact O-N 3.29Å
438I45.7Very low45.1Very low168 Ų168144.8 Ų144.886%0.86281%0.811SS**PPolyproline II helixtrans-58.7129.6172-71.4165.9000107.5E440I438-E440 PolarHBondContact O-N 3.4Å
439G43.5Very low45.3Very low67 Ų67141.6 Ų141.669%0.69179%0.794SS**PPolyproline II helixtrans-59.2128.4-175.300000112.7E437E437-G439 PolarHBondContact O-N 3.29Å
440E48.2Very low44.5Very low169 Ų169139.1 Ų139.179%0.7979%0.793SS**PPolyproline II helixtrans-63136.2164.8-72.9-171.9138.600109.9I438I438-E440 PolarHBondContact O-N 3.4Å
441P53.2Low43.8Very low126 Ų126139 Ų13982%0.81879%0.792SS**PPolyproline II helixtrans-58.3137.2169.6-21.432.6000111.1R443P441-R443 PolarHBondContact O-N 3.36Å
442G40.8Very low43.8Very low82 Ų82139.2 Ų139.285%0.84580%0.799SS**PPolyproline II helixtrans-56.1128.7-162.900000116.2
443R40.7Very low43.4Very low222 Ų222138.8 Ų138.884%0.83880%0.8SS**PPolyproline II helixtrans-78.2121.7165.2-73.4-171.5175.6-145.80.2110.5P441P441-R443 PolarHBondContact O-N 3.36Å
444Q48.3Very low42.8Very low190 Ų190138.8 Ų138.889%0.88880%0.801SS**PPolyproline II helixtrans-71.2139.1170.2-169171.612.900110.2
445G41.2Very low42.3Very low73 Ų73143.9 Ų143.975%0.75381%0.807SS**PPolyproline II helixtrans-73.3153.3-159.300000117.8
446H34.4Very low41.9Very low184 Ų184143 Ų14385%0.85281%0.81SS**PPolyproline II helixtrans-84.9136.4171.6-66-93.7000110.8
447K41.3Very low41.5Very low213 Ų213142.9 Ų142.993%0.92681%0.809SS**  trans-119.1105.6176-179.1-173.7-178.8-172.80109.5
448G41.6Very low41Very low62 Ų62142 Ų14264%0.63981%0.805SS**  trans53121.5144.900000121.8
449E44.7Very low40.7Very low101 Ų101141.3 Ų141.347%0.47281%0.809SS.*  trans-106.9137.9161.8-76.5167.5126.600112.1G739 E740E449-G739 WeakPolarHBondContact OE1-CA 3.39Å; E449-G739 WeakPolarHBondContact OE2-CA 3.29Å; E449-E740 HydrophobicContact CB-CB 4.31Å; E449-E740 VanDerWaalsContact O-O 3.11Å; E449-E740 PolarHBondContact OE2-N 3.36Å
450E36.2Very low40.8Very low189 Ų189141.6 Ų141.688%0.88381%0.812SS**  trans-167.8135.7148.3-171.6172.6-168.300106.9
451G38.3Very low40.2Very low64 Ų64137.8 Ų137.866%0.6681%0.809SS**  cis-171.2170.1100000110.6
452D37.8Very low39.6Very low177 Ų177141.3 Ų141.395%0.94782%0.815SS**  trans-114.5128.7-177.6-75.4-35.6000113.1
453Q36.4Very low39.8Very low199 Ų199140.6 Ų140.693%0.9381%0.807SS**  trans-153.6134148-171.4-179.310.300107
454G40.5Very low39.7Very low68 Ų68136.1 Ų136.170%0.70181%0.807SS**  cis-176.4174.4-2.100000108.1
455E33Very low39.7Very low208 Ų208133.5 Ų133.597%0.97281%0.806SS**  trans-124.3129.7174.4-74-167.514400112.9
456L37.7Very low39.9Very low181 Ų181133.8 Ų133.895%0.94881%0.81SS**  trans-131133.1154.3179.778.4000104
457G42.6Very low40.3Very low68 Ų68130.3 Ų130.370%0.70181%0.812SS**  cis-175.5175.8-0.400000108
458E35.1Very low40.5Very low170 Ų170129.7 Ų129.779%0.79481%0.813SS**  trans-119.2132.8173.6-77.6-165.9142.800112.6
459V39.3Very low40.7Very low155 Ų155130.2 Ų130.294%0.93982%0.819SS**  trans-116.3136.9155.4173.80000103.8
460G44.7Very low40.2Very low73 Ų73134.3 Ų134.375%0.75384%0.843SS**  cis172.3136.3-200000105.6
461A36.3Very low40.4Very low88 Ų88137.1 Ų137.173%0.72785%0.845SS**  trans-101.1139.2-175.100000113.3
462Q40.5Very low40.6Very low201 Ų201137.6 Ų137.694%0.93985%0.85SS**  trans-85.6141.8178.5-163.5175.513.200111.1
463G44.7Very low40.5Very low67 Ų67137.5 Ų137.569%0.69185%0.848SS**  trans-85.9175.3-162.100000118.5
464P39.6Very low40.5Very low128 Ų128135.1 Ų135.183%0.83185%0.847SS**PPolyproline II helixtrans-88.4155.6-173.832.7-32.7000115.4
465P48.8Very low40.5Very low134 Ų134135.2 Ų135.287%0.8785%0.848SS**PPolyproline II helixtrans-73.6153-177.8-15.131.2000115.7
466G44.9Very low40.6Very low80 Ų80133.3 Ų133.383%0.82584%0.843SS**PPolyproline II helixtrans-82.2166.1-169.800000117.9
467A42.4Very low40.7Very low110 Ų110131.3 Ų131.391%0.90984%0.838SS**PPolyproline II helixtrans-75.9139.8-173.900000114.5
468Q44.7Very low40.5Very low200 Ų200131.4 Ų131.494%0.93584%0.839SS**PPolyproline II helixtrans-98131.4179.9-157.9172.5-25.600110.9
469G45.7Very low40.7Very low74 Ų74130.9 Ų130.976%0.76384%0.841SS**PPolyproline II helixtrans-85.1157.2-170.200000116.1
470L35.6Very low40.9Very low187 Ų187133.2 Ų133.298%0.97984%0.839SS**PPolyproline II helixtrans-84.2123.4176.5-74.6164.7000111.5
471R39.6Very low40.9Very low248 Ų248133.5 Ų133.594%0.93684%0.842SS**PPolyproline II helixtrans-101.2140173.5-164.6176.5-168.71773.5110
472G42.9Very low41.1Very low74 Ų74138.5 Ų138.576%0.76385%0.85SS**PPolyproline II helixtrans-76.8168.2-167.900000117.1
473I36.7Very low41.3Very low174 Ų174139 Ų13989%0.89285%0.849SS**PPolyproline II helixtrans-103.1133.2174.251.5170.1000110.2
474T34.7Very low41.3Very low149 Ų149139.3 Ų139.391%0.91485%0.853SS**PPolyproline II helixtrans-102.5151.1169.9-54.10000108.9
475G40.5Very low41.4Very low70 Ų70138.4 Ų138.472%0.72286%0.856SS**PPolyproline II helixtrans-75.3163.7-15600000117.8
476I35.6Very low41.6Very low169 Ų169142.4 Ų142.487%0.86785%0.854SS**  trans-123.6121.7159.248.7171.5000109.3
477V39.3Very low41.6Very low139 Ų139141.5 Ų141.584%0.84285%0.845SS**  trans5.4126.6153.8-176.90000117.3
478G39.6Very low41.7Very low70 Ų70145.1 Ų145.172%0.72285%0.848SS**  trans-91.5147.2174.400000113.4
479D38Very low41.7Very low159 Ų159142.2 Ų142.285%0.8584%0.839SS**  trans-125.3125.9163.4-85.7-44.4000110.3
480K43.2Very low41.5Very low203 Ų203142 Ų14288%0.88384%0.836SS**  trans57.3109.7148.7-147172.8-175.6-178.50119.5
481G45.9Very low41.8Very low80 Ų80142.5 Ų142.583%0.82583%0.834SS**  trans-71.8140174.500000114.4
482E39.3Very low42.5Very low193 Ų193136.8 Ų136.890%0.90283%0.829SS**  trans-120.8125.9167.5-72.3-168.3150.800111.2
483K46.3Very low42.6Very low210 Ų210136.4 Ų136.491%0.91382%0.824SS**  trans7132.2157.9-133.3167.5-176175.10119.7
484G44.9Very low43.4Very low74 Ų74134.7 Ų134.776%0.76382%0.824SS**PPolyproline II helixtrans-56.9154.3-176.500000116.8R486G484-R486 PolarHBondContact O-N 3.28Å
485A40.2Very low44.1Very low110 Ų110137 Ų13791%0.90983%0.825SS**PPolyproline II helixtrans-62.3121-179.200000111.9
486R54Low44.6Very low218 Ų218136.9 Ų136.982%0.82382%0.824SS**PPolyproline II helixtrans-68.1144.8165.5-178.3174.9176.6168.3-1.4109.2G484G484-R486 PolarHBondContact O-N 3.28Å
487G45Very low44.5Very low61 Ų61137.1 Ų137.163%0.62983%0.826SS**PPolyproline II helixtrans-54.1148.3179.300000113.2D489G487-D489 PolarHBondContact O-N 3.4Å; G487-D489 VanDerWaalsContact O-N 3.17Å
488L43.2Very low44.9Very low186 Ų186136.4 Ų136.497%0.97483%0.825SS**  trans-74.4101.3178.1-66171.3000109.4
489D44.7Very low45.1Very low139 Ų139136.4 Ų136.474%0.74383%0.825SS**PPolyproline II helixtrans-79.9146.5164.6-73.3-38000110.1G487G487-D489 PolarHBondContact O-N 3.4Å; G487-D489 VanDerWaalsContact O-N 3.17Å
490G43.1Very low45.1Very low69 Ų69133.6 Ų133.671%0.71182%0.823SS**PPolyproline II helixtrans-74.2166.8-160.500000117.7P492G490-P492 VanDerWaalsContact O-CD 3.28Å; G490-P492 WeakPolarHBondContact O-CD 3.48Å
491E41.3Very low45.6Very low198 Ų198130.3 Ų130.393%0.92582%0.823SS**PPolyproline II helixtrans-64.8121.6178.8-61.8-132.4130.300112
492P53Low45.4Very low128 Ų128130.1 Ų130.183%0.83182%0.821SS**PPolyproline II helixtrans-71.8131.2170.7-18.233.3000111.5G490G490-P492 VanDerWaalsContact O-CD 3.28Å; G490-P492 WeakPolarHBondContact O-CD 3.48Å
493G45.7Very low45.5Very low65 Ų65129.2 Ų129.267%0.6782%0.822SS**PPolyproline II helixtrans-72.2161.7-17300000115.4Q495G493-Q495 PolarHBondContact O-N 3.26Å
494P54.4Low45.7Very low138 Ų138128.3 Ų128.390%0.89682%0.821SS**PPolyproline II helixtrans-71.3122.3171.827.1-31.1000111.2
495Q48Very low45.7Very low197 Ų197128.3 Ų128.392%0.92182%0.822SS**PPolyproline II helixtrans-72.2132.7169.2-177176.2-18.800110.2G493G493-Q495 PolarHBondContact O-N 3.26Å
496G50.8Low45.8Very low69 Ų69132.4 Ų132.471%0.71182%0.822SS**  trans-89.7-178.8-166.100000117.1
497L33.5Very low45.7Very low174 Ų174133.8 Ų133.891%0.91183%0.827SS**  trans-121.6148.7166.5-78.6173.4000112
498P49.6Very low45.8Very low124 Ų124134.1 Ų134.181%0.80583%0.831SS**  trans-93.7168.2-158.53.620.5000111
499G43.4Very low45.8Very low70 Ų70131.1 Ų131.172%0.72282%0.822SS**  cis177.3124.7-6.700000104.6
500A38.4Very low45.9Very low100 Ų100130.4 Ų130.483%0.82683%0.825SS**PPolyproline II helixtrans-84.4134.3172.100000109
501P52.3Low45.9Very low133 Ų133131 Ų13186%0.86483%0.831SS**PPolyproline II helixtrans-59.3154.3-174.8-25.635.3000115.1
502G42.3Very low46.2Very low77 Ų77131 Ų13179%0.79483%0.831SS**PPolyproline II helixtrans-72143.4-156.200000117.7
503D42Very low46.3Very low173 Ų173129.8 Ų129.893%0.92583%0.832SS**PPolyproline II helixtrans-89.9141.5156.4-85.1-29.8000110.9
504Q49.2Very low46.6Very low191 Ų191130 Ų13089%0.89383%0.834SS**PPolyproline II helixtrans-62.4134.1-168.4-166.7175.4-3.800113
505G46.4Very low46.6Very low75 Ų75130 Ų13077%0.77383%0.834SS**PPolyproline II helixtrans-64.8138.9-170.900000115.2
506Q41.2Very low47.1Very low196 Ų196130.3 Ų130.392%0.91683%0.832SS**  trans-119.8132.4156.4-71-16722.700110.6
507R51.6Low47.3Very low247 Ų247130.5 Ų130.593%0.93283%0.834SS**  trans-66.2132.1-175.8177.7-177.1-78.6-165.2-5.5110.8
508G47.6Very low47.8Very low68 Ų68131.9 Ų131.970%0.70184%0.836SS**  trans-76.8160.7-173.900000115.7
509P43.8Very low48Very low122 Ų122137.3 Ų137.379%0.79284%0.841SS**  trans-138.7-172.114942.9-26.6000110.7
510P46.7Very low48.5Very low125 Ų125137.3 Ų137.381%0.81284%0.84SS**PPolyproline II helix-101167.9-93.32.620.5000114.3
511G43.6Very low49Very low81 Ų81137.6 Ų137.684%0.83584%0.843SS**PPolyproline II helixtrans-63.3149.8-168.600000118
512E46.3Very low49.3Very low199 Ų199140.5 Ų140.593%0.9385%0.845SS**PPolyproline II helixtrans-77.5148.3-170.4-67.4-177.8139.800115.3
513A55.3Low50Low101 Ų101139.9 Ų139.984%0.83584%0.838SS**PPolyproline II helixtrans-85.6144.8170.800000111.8
514G52.9Low50.5Low69 Ų69136.7 Ų136.771%0.71184%0.836SS**PPolyproline II helixtrans-67.7162.6-170.400000116.9
515P54.4Low51.1Low138 Ų138139.3 Ų139.390%0.89684%0.838SS**PPolyproline II helixtrans-74.9136.1-162.828.7-34.9000114.4
516K57.6Low51.4Low204 Ų204138.8 Ų138.889%0.88783%0.833SS**PPolyproline II helixtrans-85.5137.1173.2-176.3176.1-179.5173.70110.1
517G54.1Low52Low74 Ų74137.3 Ų137.376%0.76383%0.829SS**PPolyproline II helixtrans-55.4147-174.600000115.8
518E44.3Very low52.8Low203 Ų203131.2 Ų131.295%0.94982%0.822SS**PPolyproline II helixtrans-62.9130.2-173.3-66179.3153.900113.1
519R55.5Low53.1Low238 Ų238131.4 Ų131.490%0.89882%0.824SS**PPolyproline II helixtrans-86.4133173.2178.2-177.7-71.9172.7-4.4108.6
520G53Low53.5Low69 Ų69133.7 Ų133.771%0.71183%0.828SS**PPolyproline II helixtrans-54.7153.1-178.800000114.6Q522G520-Q522 PolarHBondContact O-N 3.3Å
521A49.8Very low54.6Low107 Ų107133.6 Ų133.688%0.88483%0.828SS**PPolyproline II helixtrans-51.2125.1-173.400000113.2
522Q58Low55.3Low193 Ų193132.7 Ų132.790%0.90282%0.819SS**PPolyproline II helixtrans-69.3126.8172.9-175.2173.8-24.500109.6G520G520-Q522 PolarHBondContact O-N 3.3Å
523G56.7Low56Low64 Ų64129.6 Ų129.666%0.6682%0.816SS**PPolyproline II helixtrans-59.9152.3178.100000113.1R525G523-R525 PolarHBondContact O-N 3.46Å
524A51.5Low56.3Low107 Ų107134.5 Ų134.588%0.88482%0.818SS**PPolyproline II helixtrans-54.5134.6-177.900000112.5G526A524-G526 PolarHBondContact O-N 3.48Å
525R62.2Low56.5Low246 Ų246134.3 Ų134.393%0.92882%0.817SS**PPolyproline II helixtrans-61.9128.1175.7-172176.5-177.81740.5109.7G523G523-R525 PolarHBondContact O-N 3.46Å
526G54Low56.2Low64 Ų64135.7 Ų135.766%0.6682%0.816SS**PPolyproline II helixtrans-60.1148.6177.900000113.3A524A524-G526 PolarHBondContact O-N 3.48Å
527I52.9Low56.1Low165 Ų165132.7 Ų132.785%0.84682%0.815SS**PPolyproline II helixtrans-64.5130.2178.9-50.7166.2000109.1
528P68.8Low55.9Low119 Ų119132.2 Ų132.277%0.77381%0.81SS**PPolyproline II helixtrans-59.2136171.9-22.333000111.6
529G53.3Low56.1Low72 Ų72130.6 Ų130.674%0.74281%0.807SS**PPolyproline II helixtrans-63.6145177.400000112.6
530L52.8Low56.2Low169 Ų169125.2 Ų125.289%0.88580%0.803SS**PPolyproline II helixtrans-59.6134.4173.6-76.4158.4000110.6G532L530-G532 PolarHBondContact O-N 3.29Å
531P70.3Confident56Low123 Ų123125.3 Ų125.380%0.79980%0.804SS**PPolyproline II helixtrans-56.8135.9170.4-23.133.1000111.3
532G57.4Low55.7Low63 Ų63127.2 Ų127.265%0.64980%0.804SS**PPolyproline II helixtrans-62.6151.2179.400000112.7L530 K534L530-G532 PolarHBondContact O-N 3.29Å; G532-K534 PolarHBondContact O-N 3.37Å
533P60.3Low55.2Low134 Ų134126.1 Ų126.187%0.8781%0.805SS**PPolyproline II helixtrans-61.8130.4176.625.7-32.5000110.5G535P533-G535 PolarHBondContact O-N 3.36Å
534K62.9Low54.6Low203 Ų203126.2 Ų126.288%0.88381%0.806SS**PPolyproline II helixtrans-61128.7173.1-167.3177.4-177.9-1790108.5G532G532-K534 PolarHBondContact O-N 3.37Å
535G56.3Low53.9Low66 Ų66132.5 Ų132.568%0.6881%0.807SS**PPolyproline II helixtrans-60144.6-177.500000113.1P533 T537P533-G535 PolarHBondContact O-N 3.36Å; G535-T537 PolarHBondContact O-N 3.45Å
536D49.3Very low53Low166 Ų166128.5 Ų128.589%0.88880%0.804SS**PPolyproline II helixtrans-60.8129.4179.3-66.4-42.5000111.3G538D536-G538 PolarHBondContact O-N 3.46Å
537T53.8Low52.5Low142 Ų142128.9 Ų128.987%0.87181%0.808SS**PPolyproline II helixtrans-62.2126.4174.9-46.90000110G535G535-T537 PolarHBondContact O-N 3.45Å
538G51.3Low51.9Low63 Ų63128.9 Ų128.965%0.64981%0.808SS**PPolyproline II helixtrans-60147.4176.100000113D536D536-G538 PolarHBondContact O-N 3.46Å
539L47.1Very low51.1Low170 Ų170129.4 Ų129.489%0.8981%0.811SS**PPolyproline II helixtrans-57.1140.9176.9-72.7163.5000111.4G541L539-G541 PolarHBondContact O-N 3.34Å
540P57.7Low50.7Low125 Ų125129.4 Ų129.481%0.81281%0.811SS**PPolyproline II helixtrans-58.5124.2177.5-22.132.3000112
541G50.4Low50.1Low71 Ų71130 Ų13073%0.73281%0.812SS**PPolyproline II helixtrans-70.8142.9167.900000111L539L539-G541 PolarHBondContact O-N 3.34Å
542V42.7Very low49.3Very low147 Ų147130.5 Ų130.589%0.89182%0.815SS**PPolyproline II helixtrans-65.9131.1-173.9-155.80000111
543D48.2Very low48.6Very low169 Ų169131.3 Ų131.390%0.90482%0.823SS**PPolyproline II helixtrans-60133.8174.9-84.2-36.4000112.2
544G43.3Very low48.2Very low67 Ų67131.6 Ų131.669%0.69182%0.823SS**  trans-175.288.917400000115.9
545R37.9Very low47.7Very low239 Ų239132 Ų13290%0.90282%0.824SS**  trans82.1109.8141.3-57.1-177.2176.6-164.4-3120.1
546D42.7Very low47.2Very low161 Ų161132 Ų13286%0.86182%0.824SS**  trans37.2102.2131.9-56.7-29.8000120.3
547G44Very low47.1Very low72 Ų72133 Ų13374%0.74282%0.824SS**  68108.5109.900000120.4
548I38.9Very low47.5Very low166 Ų166132.3 Ų132.385%0.85182%0.822SS**  trans-147.3119.6135.6-53.6-178000108.5
549P52.6Low47.5Very low130 Ų130132.8 Ų132.884%0.84483%0.827SS**  trans-75.9135.9168.8-12.528000112.2
550G45.6Very low47.8Very low72 Ų72134.2 Ų134.274%0.74283%0.826SS**  trans142.6114.2151.700000115.9
551M39.8Very low48.1Very low181 Ų181134.4 Ų134.489%0.89283%0.827SS**  -173.7130.8115.3-93.9179.181.500109.5
552P53.2Low48.5Very low134 Ų134134 Ų13487%0.8782%0.823SS**PPolyproline II helixtrans-60.1140.2176.8-22.132.9000112.7
553G42.5Very low49Very low80 Ų80132.9 Ų132.983%0.82582%0.819SS**PPolyproline II helixtrans-70.2141.4-164.900000116.1
554T52.8Low50Low140 Ų140130.9 Ų130.986%0.85982%0.815SS**PPolyproline II helixtrans-80.7125.2156.550.80000109G556T554-G556 PolarHBondContact O-N 3.29Å
555K51.6Low50.6Low211 Ų211131.2 Ų131.292%0.91782%0.818SS**  trans-59.1108.3172.1-175.8178.1-178.3177.20109.6
556G46.2Very low51.3Low66 Ų66127.9 Ų127.968%0.6882%0.818SS**PPolyproline II helixtrans-77144.4173.100000112.1T554T554-G556 PolarHBondContact O-N 3.29Å
557E47Very low51.9Low186 Ų186124.9 Ų124.987%0.86982%0.816SS**PPolyproline II helixtrans-59.7150.5-172.6-62.1-179.8136.200114.6G559E557-G559 PolarHBondContact O-N 3.41Å
558P62.5Low52.2Low128 Ų128124.8 Ų124.883%0.83182%0.815SS**PPolyproline II helixtrans-57.6125.5169.6-21.332.6000111.6
559G51.2Low52.7Low73 Ų73125.5 Ų125.575%0.75382%0.82SS**PPolyproline II helixtrans-60.7137.2176.500000112.5E557E557-G559 PolarHBondContact O-N 3.41Å
560K52.6Low52.8Low200 Ų200128.3 Ų128.387%0.8782%0.822SS**PPolyproline II helixtrans-57.2136.1178.8-62.8179.9-179.9-1780111.2G562K560-G562 PolarHBondContact O-N 3.11Å
561P65.5Low53.1Low130 Ų130127.8 Ų127.884%0.84482%0.816SS**PPolyproline II helixtrans-55.8136.4169.7-23.633.4000111.2
562G56.9Low53.4Low62 Ų62127.4 Ų127.464%0.63982%0.817SS**PPolyproline II helixtrans-64153177.800000112.5K560K560-G562 PolarHBondContact O-N 3.11Å
563P55.1Low53.9Low124 Ų124126.6 Ų126.681%0.80581%0.812SS**PPolyproline II helixtrans-61.7141.3179.825.4-32.8000111.2G565P563-G565 PolarHBondContact O-N 2.87Å
564P67.6Low54.4Low126 Ų126126 Ų12682%0.81881%0.805SS**PPolyproline II helixtrans-56133.2171-21.532.2000110.4
565G55.8Low54Low75 Ų75126.1 Ų126.177%0.77381%0.806SS**PPolyproline II helixtrans-62.1144.9179.500000112.4P563 A567P563-G565 PolarHBondContact O-N 2.87Å; G565-A567 PolarHBondContact O-N 3.4Å
566D52.6Low54.4Low168 Ų168121.7 Ų121.790%0.89880%0.798SS**PPolyproline II helixtrans-55134179.1-71.9-41000111.8G568D566-G568 PolarHBondContact O-N 2.88Å
567A56.6Low54.7Low98 Ų98121.8 Ų121.881%0.8180%0.799SS**PPolyproline II helixtrans-60.2127.1174.400000109.9G565 L569G565-A567 PolarHBondContact O-N 3.4Å; A567-L569 PolarHBondContact O-N 3.21Å
568G49.8Very low54.7Low71 Ų71121 Ų12173%0.73280%0.799SS**PPolyproline II helixtrans-56.4139.2177.500000111.8D566 Q570D566-G568 PolarHBondContact O-N 2.88Å; G568-Q570 PolarHBondContact O-N 2.94Å; G568-Q570 VanDerWaalsContact O-N 3.11Å
569L48.4Very low54.5Low180 Ų180120.5 Ų120.594%0.94280%0.796SS**PPolyproline II helixtrans-55.5116.6176.3-73.2166000110.2A567 G571A567-L569 PolarHBondContact O-N 3.21Å; L569-G571 PolarHBondContact O-N 2.9Å
570Q54.7Low54.5Low189 Ų189120.7 Ų120.788%0.88380%0.798SS**PPolyproline II helixtrans-60.3130.2173.8-171.1173.86.200109.6G568G568-Q570 PolarHBondContact O-N 2.94Å; G568-Q570 VanDerWaalsContact O-N 3.11Å
571G53.1Low54Low61 Ų61116.3 Ų116.363%0.62980%0.799SS**PPolyproline II helixtrans-58.9142.3176.200000111.8L569L569-G571 PolarHBondContact O-N 2.9Å
572L46.2Very low53.1Low174 Ų174120 Ų12091%0.91180%0.802SS**PPolyproline II helixtrans-53.9129.1176.9-72.9163.2000110.7
573P62.8Low52.5Low117 Ų117120.3 Ų120.376%0.7681%0.805SS**PPolyproline II helixtrans-59.2135.4173.6-22.232.4000111.4
574G52.5Low51.7Low67 Ų67121.9 Ų121.969%0.69181%0.812SS**PPolyproline II helixtrans-60.1141.1172.100000111.4P576G574-P576 WeakPolarHBondContact O-CD 3.44Å
575V45.4Very low50.6Low143 Ų143120.9 Ų120.987%0.86781%0.814SS**PPolyproline II helixtrans-58.5121.6-179.9-168.70000109.7
576P60.5Low50.1Low117 Ų117120.8 Ų120.876%0.7681%0.813SS**PPolyproline II helixtrans-62.8134.5177.4-23.334000112G574G574-P576 WeakPolarHBondContact O-CD 3.44Å
577G52.3Low49.5Very low68 Ų68122.6 Ų122.670%0.70182%0.816SS**PPolyproline II helixtrans-62.8141.3171.200000111.6P579G577-P579 VanDerWaalsContact O-CD 3.29Å; G577-P579 WeakPolarHBondContact O-CD 3.48Å
578I45.8Very low49.2Very low170 Ų170128.1 Ų128.187%0.87282%0.822SS**PPolyproline II helixtrans-62.3119.2-176.6-49.1169.8000109.2
579P59Low48.9Very low118 Ų118128.2 Ų128.277%0.76682%0.823SS**PPolyproline II helixtrans-66.1132.9179.5-23.234.9000112.8G577G577-P579 VanDerWaalsContact O-CD 3.29Å; G577-P579 WeakPolarHBondContact O-CD 3.48Å
580G51.8Low48.3Very low76 Ų76125.5 Ų125.578%0.78482%0.819SS**PPolyproline II helixtrans-66.2142.9169.600000112K582G580-K582 PolarHBondContact O-N 3.25Å
581A42.4Very low48.2Very low109 Ų109123.7 Ų123.790%0.90182%0.821SS**PPolyproline II helixtrans-60.7131-175.800000112.5G583A581-G583 PolarHBondContact O-N 3.42Å
582K45.9Very low47.7Very low208 Ų208124.3 Ų124.390%0.90483%0.827SS**  trans-75.6115.9-179.1-165.1177.2-174.2-179.60110.5G580G580-K582 PolarHBondContact O-N 3.25Å
583G44Very low47.3Very low68 Ų68120.7 Ų120.770%0.70182%0.823SS**PPolyproline II helixtrans-84.8147.5162.900000111.4A581A581-G583 PolarHBondContact O-N 3.42Å
584V37.9Very low47.1Very low156 Ų156121.3 Ų121.395%0.94583%0.827SS**PPolyproline II helixtrans-71.1153.7-159.5-140.80000114.2
585A45.5Very low46.9Very low105 Ų105121.5 Ų121.587%0.86883%0.828SS**PPolyproline II helixtrans-96.6157.4-177.300000114
586G45.8Very low46.5Very low73 Ų73124.5 Ų124.575%0.75383%0.83SS**  trans127.7134.9161.600000111.9
587E39.5Very low46.4Very low207 Ų207125.4 Ų125.497%0.96784%0.835SS**  cis-154.117423.8-81.1-168123.600113.2
588K50.6Low46.1Very low213 Ų213125.7 Ų125.793%0.92684%0.838SS**  trans-92.3152.4-165.4179.4-172.2-162.8178.10113.1
589G42.5Very low46.1Very low73 Ų73124.1 Ų124.175%0.75384%0.839SS**  trans145.5138.3159.100000110.7
590S36.8Very low45.4Very low124 Ų124127.6 Ų127.687%0.86785%0.848SS**  cis-164.1153.81549.10000109
591T51.3Low45.2Very low151 Ų151126.6 Ų126.693%0.92684%0.838SS**  trans-84.8150.3179.5-35.40000113.2
592G43.8Very low44.8Very low73 Ų73129.6 Ų129.675%0.75384%0.838SS**  trans113.2141.4160.100000113.6
593A37.3Very low45.1Very low98 Ų98125.8 Ų125.881%0.8184%0.838SS**  cis-165171.312.500000108.8
594P58.4Low45.2Very low131 Ų131126 Ų12685%0.85184%0.84SS**  trans-97.8160.8-155.66.712.8000118.1
595G49.1Very low45.2Very low70 Ų70128.6 Ų128.672%0.72284%0.839SS**  trans100.9131.1136.300000119.3
596K36.6Very low45.8Very low207 Ų207129.8 Ų129.890%0.984%0.838SS**  -176.2134.1116.9-95.7172.7-168.5-169.90113.1
597P57.3Low46.1Very low135 Ų135129.9 Ų129.988%0.87784%0.839SS**  trans-89.1160.7173.3-423.1000115.4
598G47.1Very low46.1Very low74 Ų74129.5 Ų129.576%0.76384%0.837SS**  trans99.2139.2159.500000115.4
599P45.5Very low46Very low137 Ų137128.9 Ų128.989%0.8984%0.837SS**  cis-139.5167.244.236.3-16.2000116.8
600M44.5Very low46.5Very low191 Ų191128.4 Ų128.494%0.94183%0.833SS**  trans-92.6137.6171.2175.3-177.3-71.500111
601G46.4Very low47.1Very low56 Ų56128.4 Ų128.458%0.57783%0.83SS**  trans85.7115.7143.700000120.1
602N35.1Very low47.4Very low171 Ų171127.5 Ų127.591%0.91483%0.826SS**  174.7155.193.1-86.1-13.1000113.7
603S52.1Low48Very low128 Ų128127.5 Ų127.590%0.89583%0.826SS**  trans-71.6160.6-165.1-53.40000119
604G46.3Very low48.6Very low73 Ų73132.6 Ų132.675%0.75383%0.833SS**  trans134.6131.2154.300000112
605K38Very low48.4Very low210 Ų210133.1 Ų133.191%0.91383%0.834SS**  cis-153.7168.319.4-76.2-176.9177.8-177.50110.4
606P57.3Low48.6Very low130 Ų130132.6 Ų132.684%0.84483%0.829SS**  trans-83.2146-164.2-9.727.3000117.4
607G52.3Low49.2Very low75 Ų75129.3 Ų129.377%0.77383%0.829SS**  trans85.7106.9134.600000121
608Q40Very low49.3Very low200 Ų200134.4 Ų134.494%0.93583%0.83SS**  trans-140137140.3-79.4-165.71700110.6
609Q48.1Very low49.8Very low199 Ų199133.5 Ų133.593%0.9382%0.821SS**PPolyproline II helixtrans-75.5129.6-178.6-177.5176.720.600110.8
610G52.9Low49.8Very low64 Ų64133.7 Ų133.766%0.6682%0.823SS**PPolyproline II helixtrans-88148.9177.400000113.4
611P49.3Very low50.5Low124 Ų124136.1 Ų136.181%0.80582%0.821SS**PPolyproline II helixtrans-80.7157.2-164.932-35.4000114.9
612P57.4Low50.7Low131 Ų131136.7 Ų136.785%0.85183%0.827SS**PPolyproline II helixtrans-72.3145.3-179.8-1530.7000114.2
613G57Low51.3Low73 Ų73136.8 Ų136.875%0.75383%0.827SS**PPolyproline II helixtrans-82.6153.3179.600000115.3
614E49.2Very low51.9Low205 Ų205136.7 Ų136.796%0.95882%0.823SS**PPolyproline II helixtrans-69.1149.7-168.6-64.2-177.7141.200116
615V55.8Low52.2Low143 Ų143137 Ų13787%0.86783%0.827SS**PPolyproline II helixtrans-92.2131.8-173.5175.50000111.5
616G52.7Low52.7Low59 Ų59132.9 Ų132.961%0.60882%0.824SS**PPolyproline II helixtrans-74.8165.4175.600000115.2
617P48.2Very low52.3Low138 Ų138138.6 Ų138.690%0.89683%0.829SS**PPolyproline II helixtrans-74.4146.8-156.828.7-35.3000115.8
618R60.1Low52Low241 Ų241138.6 Ų138.691%0.90983%0.828SS**PPolyproline II helixtrans-80.1131.3-175.2-178178.3175.3178.21.2112.5
619G57.3Low52.1Low56 Ų56138.7 Ų138.758%0.57783%0.829SS**PPolyproline II helixtrans-72.1163.3174.600000114.7
620P46.5Very low52Low141 Ų141137.6 Ų137.692%0.91683%0.828SS**PPolyproline II helixtrans-71.5148.9-167.828.1-33.7000114.4
621R59.1Low52Low242 Ų242137.3 Ų137.391%0.91383%0.825SS**PPolyproline II helixtrans-81130.9-173.2-176.3178.6-179.6169.6-0.2111.8
622G49.4Very low51.9Low68 Ų68137.8 Ų137.870%0.70183%0.829SS**PPolyproline II helixtrans-71.3153.4174.200000114
623L48.9Very low51.9Low172 Ų172138.5 Ų138.590%0.90183%0.83SS**PPolyproline II helixtrans-68.2145.9-178.5-71.6163.7000112.7
624P64.1Low51.6Low126 Ų126138.1 Ų138.182%0.81883%0.826SS**PPolyproline II helixtrans-68.5141.3179.1-16.730.9000113.8
625G52.2Low51.4Low81 Ų81133.9 Ų133.984%0.83582%0.82SS**PPolyproline II helixtrans-77.3144.9178.200000114.3
626S48.2Very low51.6Low122 Ų122133.3 Ų133.385%0.85382%0.819SS**PPolyproline II helixtrans-74.6137.3175.849.10000112.6
627R49.4Very low51.5Low251 Ų251134.1 Ų134.195%0.94783%0.827SS**PPolyproline II helixtrans-68.5142.4178-174.5175.4179.4164.1-1.2111.6
628G46.8Very low51Low74 Ų74135.9 Ų135.976%0.76383%0.828SS**PPolyproline II helixtrans-81.9162.1-164.900000117.6
629E41.6Very low50.6Low202 Ų202130.1 Ų130.194%0.94482%0.822SS**PPolyproline II helixtrans-91.3142.3167.4-74.5-176.9157.700111.2
630L46.9Very low50.2Low176 Ų176131.2 Ų131.292%0.92183%0.833SS**PPolyproline II helixtrans-72.8135-173.8-172.673.3000111.4
631G52.3Low50Low58 Ų58136.4 Ų136.460%0.59884%0.835SS**PPolyproline II helixtrans-79.1152.7-179.900000114.1
632P47.8Very low49.1Very low135 Ų135133.3 Ų133.388%0.87784%0.835SS**PPolyproline II helixtrans-75.6137.6170.628.7-30.6000112
633V56.6Low48.9Very low145 Ų145133.4 Ų133.488%0.87984%0.836SS**PPolyproline II helixtrans-66.8138.1-177.9169.90000112.1
634G50.3Low48.5Very low65 Ų65131.2 Ų131.267%0.6784%0.835SS**PPolyproline II helixtrans-79.1149.9179.600000114.5
635S46.3Very low47.4Very low117 Ų117133.6 Ų133.682%0.81884%0.84SS**PPolyproline II helixtrans-76.1132.7173.650.60000111.9
636P60Low47Very low130 Ų130132.8 Ų132.884%0.84483%0.831SS**PPolyproline II helixtrans-64.7142.5179.6-21.332.5000114.2
637G49.3Very low46.5Very low76 Ų76132.7 Ų132.778%0.78483%0.831SS**PPolyproline II helixtrans-81.4154.9176.400000113.5
638L37.1Very low46.7Very low175 Ų175126.9 Ų126.992%0.91683%0.825SS**  trans-106.8143.4169.5-81.8165000111.7
639P53.3Low46.8Very low121 Ų121127 Ų12779%0.78683%0.826SS**  trans-91.4154.8-156.5-6.929.2000113.9
640G48.4Very low46.7Very low79 Ų79125.5 Ų125.581%0.81482%0.824SS**  trans-83.4170.4-172.800000116.5
641R41Very low47.1Very low250 Ų250122.4 Ų122.494%0.94382%0.815SS**  trans-118.9101.7163.4-101.1-171.2171.8-163-1.6111
642L40.5Very low47.1Very low177 Ų177123.3 Ų123.393%0.92782%0.824SS**  3.6130.9127.6-160.775.8000115
643G47Very low46.7Very low70 Ų70124.7 Ų124.772%0.72282%0.823SS**  cis143.1136.9800000107.7
644S38.4Very low46.6Very low125 Ų125123.2 Ų123.287%0.87482%0.816SS**  trans-119.894.3157.861.80000109.2
645L42.7Very low46.6Very low177 Ų177123.3 Ų123.393%0.92782%0.818SS**  trans-32.5133153.4-165.475.5000110.6
646G43.4Very low46.4Very low63 Ų63123.7 Ų123.765%0.64982%0.817SS**  cis126.7103.320.200000106.8
647S38.2Very low46.1Very low121 Ų121122.9 Ų122.985%0.84681%0.812SS**PPolyproline II helixtrans-92.6121.9163.439.80000109.1
648P53.3Low46.1Very low128 Ų128122.9 Ų122.983%0.83181%0.811SS**PPolyproline II helixtrans-61.6145.1-170.5-2634.5000115.7
649G47.4Very low46Very low76 Ų76122.4 Ų122.478%0.78481%0.809SS**PPolyproline II helixtrans-71.9148.2178.500000113.4
650L40.2Very low46Very low172 Ų172121.9 Ų121.990%0.90181%0.806SS**PPolyproline II helixtrans-94.6137.8169-83.9162.3000111
651P55.4Low46.2Very low111 Ų111122 Ų12272%0.72181%0.806SS**PPolyproline II helixtrans-71.6154.9-166.5-18.733.7000115.2
652G52.5Low46.1Very low76 Ų76118.3 Ų118.378%0.78480%0.802SS**PPolyproline II helixtrans-66.7147.5176.800000113.3
653L38.8Very low46.6Very low165 Ų165119.6 Ų119.686%0.86480%0.8SS**  trans-124.3148.1170.1-79.7165.6000111
654P55Low46.5Very low113 Ų113119.6 Ų119.673%0.73480%0.8SS**PPolyproline II helixtrans-81.7158.9-148.4-14.633.5000113.9
655G50.2Low47.1Very low68 Ų68122.2 Ų122.270%0.70180%0.804SS**PPolyproline II helixtrans-62.2130.9176.100000111.9P657G655-P657 WeakPolarHBondContact O-CD 3.31Å
656P42.9Very low47.2Very low124 Ų124125.3 Ų125.381%0.80580%0.804SS**PPolyproline II helixtrans-69.9125.2170.8-17.931.4000110.4
657P52.4Low47Very low114 Ų114125.6 Ų125.674%0.7481%0.806SS**PPolyproline II helixtrans-57.9147.3174.4-22.833.5000112.7G655 L659G655-P657 WeakPolarHBondContact O-CD 3.31Å; P657-L659 PolarHBondContact O-N 3.22Å
658G50Low47.5Very low75 Ų75127.2 Ų127.277%0.77381%0.811SS**PPolyproline II helixtrans-61.7132.2173.700000111.2
659L35.6Very low46.9Very low165 Ų165128 Ų12886%0.86481%0.813SS**  trans-106.8122.6173.7-75.6173.5000111.1P657P657-L659 PolarHBondContact O-N 3.22Å
660P52.4Low46.7Very low111 Ų111127.3 Ų127.372%0.72181%0.806SS**  trans-58.8152.6179.8-26.534.4000115
661G52.7Low46.8Very low80 Ų80128.3 Ų128.383%0.82581%0.806SS**  trans-65.1137.8173.100000112.9
662M38.2Very low46.6Very low173 Ų173129.4 Ų129.485%0.85281%0.813SS**  trans-136.3103.7164.6-59.4-169.277.800105.1
663K52.3Low46.3Very low205 Ų205128.9 Ų128.989%0.89181%0.807SS**  57.7105.391.7-166.3-179.4-168.9-179.70112.2
664G44.2Very low46.5Very low69 Ų69127.3 Ų127.371%0.71181%0.807SS**  trans83104.4150.500000115.4R666G664-R666 VanDerWaalsContact C-N 3.33Å; G664-R666 PolarHBondContact O-N 3.24Å
665D52.1Low45.9Very low180 Ų180132.2 Ų132.296%0.96382%0.817SS**  trans-69.295.8154.7-70.5-39.1000108.9
666R43.7Very low46Very low243 Ų243132 Ų13292%0.91781%0.814SS**  trans-141.8105146.4-169.5174.7178.6173.8-0.3109.9G664G664-R666 VanDerWaalsContact C-N 3.33Å; G664-R666 PolarHBondContact O-N 3.24Å
667G40.5Very low45.7Very low68 Ų68135.6 Ų135.670%0.70182%0.82SS**  trans75.5107.3151.800000117.4
668V47.3Very low45.3Very low155 Ų155139.6 Ų139.694%0.93983%0.829SS**  trans-71.2119.6147.4-95.80000108.8
669V40.6Very low44.9Very low146 Ų146139.1 Ų139.189%0.88582%0.824SS**  trans-79.5120167.8166.50000108.4
670G43.2Very low44.8Very low61 Ų61136.1 Ų136.163%0.62982%0.823SS**  trans62.1108.7141.900000120P672G670-P672 WeakPolarHBondContact O-CD 3.09Å
671E42.5Very low44.2Very low193 Ų193136.7 Ų136.790%0.90283%0.83SS**PPolyproline II helixtrans-70123.5132.5-70.8-156.5139.200108.4G673E671-G673 PolarHBondContact O-N 3.42Å
672P52.5Low43.6Very low134 Ų134136.1 Ų136.187%0.8782%0.824SS**PPolyproline II helixtrans-63.5116172.8-22.734.7000110.5G670G670-P672 WeakPolarHBondContact O-CD 3.09Å
673G44.3Very low44Very low65 Ų65137.8 Ų137.867%0.6783%0.829SS**PPolyproline II helixtrans-87.7173.2-162.100000116.7E671E671-G673 PolarHBondContact O-N 3.42Å
674P43.5Very low43.6Very low131 Ų131137.1 Ų137.185%0.85183%0.829SS**  trans-90.5115.9150.131.3-23.4000110.4
675K42.1Very low44Very low217 Ų217137 Ų13794%0.94383%0.828SS**  trans-17.5135.9144.8-169.5-174.1-170.2-177.40113
676G53.3Low43.4Very low62 Ų62138 Ų13864%0.63983%0.827SS**  cis156.4137.30.900000105.9
677E37.3Very low43.3Very low200 Ų200133.2 Ų133.294%0.93583%0.825SS**  trans-160.9108.9164.2-112.4163.4-152.200110.2
678Q42.9Very low44Very low198 Ų198133 Ų13393%0.92582%0.823SS**  trans-13.5138.2138.9177.4-178.8-800114.4
679G41.7Very low43.6Very low65 Ų65134.7 Ų134.767%0.6782%0.821SS**  cis170.5178.30.300000109.3
680A33.9Very low43.7Very low103 Ų103139.6 Ų139.685%0.85182%0.823SS**  trans72.6125.5153.800000121.3
681S39Very low44.4Very low123 Ų123139.9 Ų139.986%0.8683%0.826SS**  88.8122127.8-155.70000120.4
682G40.5Very low44.2Very low67 Ų67139.9 Ų139.969%0.69183%0.826SS**  72.5103.9124.100000117.9E684G682-E684 PolarHBondContact O-N 3.34Å
683E47.6Very low43.5Very low208 Ų208142.1 Ų142.197%0.97283%0.83SS**  trans-81.895.9154.7-72.1-172.6160.500108.6
684E43Very low43.7Very low191 Ų191141.9 Ų141.989%0.89383%0.827SS**  trans-85.9132.7159.8-165.6167.8-164.500108G682G682-E684 PolarHBondContact O-N 3.34Å
685G52.1Low43.4Very low66 Ų66144 Ų14468%0.6883%0.832SS**  trans-82.6165.1-171.700000113.9
686E40.5Very low43.5Very low201 Ų201142 Ų14294%0.93983%0.829SS**  trans-133.6131.4159-77.4-168.9135.100112.3
687T40.6Very low43.1Very low143 Ų143142.1 Ų142.188%0.87783%0.83SS**  trans-59.7154.3179.9-47.90000114.2
688G56.2Low43Very low64 Ų64141 Ų14166%0.6683%0.83SS**  trans-99.4-174.1178.300000116.4
689E39.3Very low43.5Very low191 Ų191137.3 Ų137.389%0.89382%0.823SS**  trans-151.8121.9166.6-74.2-169.1134.700107.8
690R42Very low43.7Very low248 Ų248137.8 Ų137.894%0.93683%0.828SS**  48.5128.993.6-164.2-171.1-66.3-177.12.1113.1
691G57.2Low44.3Very low67 Ų67139 Ų13969%0.69183%0.827SS**  cis136.8124.97.900000108.7
692E38.4Very low44.8Very low193 Ų193143.1 Ų143.190%0.90283%0.83SS**  trans-149.4113.6165.4-69-169.3152.600107.3
693L37.4Very low45.4Very low181 Ų181143.5 Ų143.595%0.94883%0.834SS**  56.1119.381.6-15982.7000111.1
694G48.6Very low44.9Very low60 Ų60139.8 Ų139.862%0.61983%0.831SS**  cis141.914111.200000106.3
695D38.9Very low44.9Very low177 Ų177135.8 Ų135.895%0.94783%0.83SS**  trans-150.2109152.7-100.7-19.6000110.9
696I42.4Very low44.6Very low174 Ų174135.7 Ų135.789%0.89283%0.829SS**  trans-87.9145.3169.8-65.7160.5000105.3
697G45.8Very low44.5Very low64 Ų64134 Ų13466%0.6683%0.826SS**  cis158.9170.510.800000107
698L34.2Very low45Very low176 Ų176133 Ų13392%0.92182%0.823SS**  trans-140.2141.2150.6-84.1178.7000110.7
699P55Low44.5Very low121 Ų121133.7 Ų133.779%0.78683%0.83SS**  trans-91.4152.9-156.2-5.827.4000114.1
700G45.4Very low44.9Very low75 Ų75133.7 Ų133.777%0.77383%0.83SS**  trans-90.2155.7-179.800000115.2
701P45.9Very low45.9Very low129 Ų129127.9 Ų127.984%0.83882%0.824SS**  trans-96.811015831.4-24.6000111.9
702K48.9Very low45.6Very low210 Ų210128.4 Ų128.491%0.91383%0.83SS**  trans10.2112.5153.7-159.1173.5-174.6175.90120.8
703G55.1Low46Very low75 Ų75127.8 Ų127.877%0.77383%0.831SS**  66121.4114.500000122.3
704S35.7Very low47.1Very low130 Ų130129.1 Ų129.191%0.90982%0.824SS**  trans-151151.2134.458.80000110.7
705A42.6Very low47.3Very low106 Ų106128.8 Ų128.888%0.87682%0.821SS**  trans-90.3148.2-157.200000115.4
706G47.2Very low47.9Very low64 Ų64126.9 Ų126.966%0.6682%0.818SS**  trans92.4123.4132.600000119.3
707N38.3Very low48.3Very low165 Ų165126.2 Ų126.288%0.88281%0.811SS**  -152.8150.3124.4-88.2-40.4000111.4
708P50.8Low48.4Very low124 Ų124126.8 Ų126.881%0.80582%0.817SS**PPolyproline II helixtrans-72.1154.9-168.3-1733.1000115.2
709G46.5Very low48.9Very low78 Ų78124.2 Ų124.280%0.80481%0.814SS**PPolyproline II helixtrans-71.9143.2-169.700000116.3
710E47.1Very low48.8Very low191 Ų191129.7 Ų129.789%0.89382%0.819SS**PPolyproline II helixtrans-71.6138.3172.6-75.1179.5132.400111.9
711P62.2Low48.9Very low126 Ų126129.3 Ų129.382%0.81882%0.815SS**PPolyproline II helixtrans-59.8139.2171-23.533.9000112.9
712G51.4Low49Very low78 Ų78130.8 Ų130.880%0.80482%0.815SS**PPolyproline II helixtrans-59.1139.8-174.100000115.2R714G712-R714 PolarHBondContact O-N 3.04Å
713L46.7Very low49.8Very low179 Ų179126.5 Ų126.594%0.93781%0.808SS**PPolyproline II helixtrans-65.5119.8176.3-68.8165.9000111
714R60.1Low49.5Very low209 Ų209126.6 Ų126.679%0.78981%0.809SS**PPolyproline II helixtrans-64.8133.2168.9-177.3172.7173.9170.4-5.2109.4G712 E717G712-R714 PolarHBondContact O-N 3.04Å; R714-E717 IonicContact NH2-OE2 3.27Å; R714-E717 PolarHBondContact NH2-OE2 2.79Å
715G53.8Low50Low54 Ų54126.7 Ų126.756%0.55780%0.804SS**PPolyproline II helixtrans-59.6152.6-179.200000113.4E717G715-E717 PolarHBondContact O-N 3.43Å; G715-E717 VanDerWaalsContact O-N 3.14Å
716P50.7Low50.7Low136 Ų136130.5 Ų130.588%0.88380%0.803SS**  trans-68.8111.1-178.127.6-32.3000110.4
717E51.9Low51.1Low160 Ų160130 Ų13075%0.74880%0.799SS**  trans-69.9137164.6-119.5169.1144.400109.2R714 G715R714-E717 IonicContact NH2-OE2 3.27Å; R714-E717 PolarHBondContact NH2-OE2 2.79Å; G715-E717 PolarHBondContact O-N 3.43Å; G715-E717 VanDerWaalsContact O-N 3.14Å
718G47.2Very low51.8Low76 Ų76128.4 Ų128.478%0.78480%0.797SS**  trans-58.1138.7-161.900000115.8R720G718-R720 PolarHBondContact O-N 3.25Å
719S43.6Very low52.2Low122 Ų122133.9 Ų133.985%0.85380%0.802SS**  trans-62.6113.1169.241.80000110.4G721S719-G721 PolarHBondContact O-N 2.92Å
720R54.5Low52.6Low237 Ų237132.6 Ų132.689%0.89479%0.789SS**PPolyproline II helixtrans-59.5129.5160.3-169.5173-177.3161.50.2107.8G718 L722G718-R720 PolarHBondContact O-N 3.25Å; R720-L722 PolarHBondContact O-N 2.76Å
721G47.5Very low52.8Low67 Ų67129.2 Ų129.269%0.69178%0.783SS**PPolyproline II helixtrans-50.4131.1-173.400000113.3S719S719-G721 PolarHBondContact O-N 2.92Å
722L46.5Very low52.9Low160 Ų160129 Ų12984%0.83878%0.782SS**PPolyproline II helixtrans-61.3131.4167.7-68.1164.6000108.5R720 G724R720-L722 PolarHBondContact O-N 2.76Å; L722-G724 PolarHBondContact O-N 3.29Å
723P66Low52.8Low120 Ų120128.1 Ų128.178%0.77977%0.773SS**PPolyproline II helixtrans-53.7135.7159-2031.9000108.6V725P723-V725 PolarHBondContact O-N 3.27Å
724G49.8Very low52.5Low76 Ų76125.9 Ų125.978%0.78477%0.769SS**PPolyproline II helixtrans-49130.8-174.100000112L722 E726L722-G724 PolarHBondContact O-N 3.29Å; G724-E726 PolarHBondContact O-N 3.1Å; G724-E726 VanDerWaalsContact O-N 3.09Å
725V46.1Very low52.2Low133 Ų133126.2 Ų126.281%0.80677%0.77SS**  trans-64.6110.2171.5-169.60000106.6P723 G727P723-V725 PolarHBondContact O-N 3.27Å; V725-G727 PolarHBondContact O-N 2.99Å
726E57.5Low51.8Low185 Ų185126.7 Ų126.786%0.86478%0.775SS**PPolyproline II helixtrans-57.6126.9168-165.8173.4-172.200107.5G724G724-E726 PolarHBondContact O-N 3.1Å; G724-E726 VanDerWaalsContact O-N 3.09Å
727G55.7Low51.2Low54 Ų54126.7 Ų126.756%0.55777%0.772SS**PPolyproline II helixtrans-54.4147.9-175.600000111.1V725 R729V725-G727 PolarHBondContact O-N 2.99Å; G727-R729 PolarHBondContact O-N 3.43Å
728P51.3Low51.1Low131 Ų131126.9 Ų126.985%0.85177%0.774SS**PPolyproline II helixtrans-52.3122176.822-31.8000109G730P728-G730 PolarHBondContact O-N 3.16Å; P728-G730 VanDerWaalsContact O-N 3.13Å
729R59.4Low51.1Low239 Ų239125.1 Ų125.190%0.90276%0.755SS**PPolyproline II helixtrans-50122.7175.7-174.3176.3179.9-177.10.9107.7G727G727-R729 PolarHBondContact O-N 3.43Å
730G56.1Low50.8Low52 Ų52125.7 Ų125.754%0.53675%0.745SS.*PPolyproline II helixtrans-50.5142.3177.300000110.1P728P728-G730 PolarHBondContact O-N 3.16Å; P728-G730 VanDerWaalsContact O-N 3.13Å
731P50.1Low50.4Low119 Ų119123.6 Ų123.677%0.77375%0.745SS**PPolyproline II helixtrans-50.9137.1177.421.7-31.6000108.7G733P731-G733 PolarHBondContact O-N 3.4Å; P731-G733 VanDerWaalsContact O-N 3.14Å
732P64.8Low50.3Low122 Ų122123.1 Ų123.179%0.79274%0.74SS**PPolyproline II helixtrans-48.7126.9174.2-24.732.5000108.8
733G49.9Very low49.9Very low60 Ų60120.6 Ų120.662%0.61974%0.742SS**PPolyproline II helixtrans-51.5141173.700000109.1P731 R735P731-G733 PolarHBondContact O-N 3.4Å; P731-G733 VanDerWaalsContact O-N 3.14Å; G733-R735 PolarHBondContact O-N 3.4Å
734P40Very low49.1Very low132 Ų132121.2 Ų121.286%0.85774%0.744SS**PPolyproline II helixtrans-52.4122.1-178.121.8-31.8000108.7G736P734-G736 PolarHBondContact O-N 3.32Å
735R53.8Low49Very low215 Ų215120.5 Ų120.581%0.81174%0.737SS**PPolyproline II helixtrans-53.9123.1173.8-176.9175.9176.2177.5-2.7107.1G733 V737G733-R735 PolarHBondContact O-N 3.4Å; R735-V737 PolarHBondContact O-N 3.05Å
736G45.4Very low48.7Very low64 Ų64122.2 Ų122.266%0.6674%0.741SS**PPolyproline II helixtrans-50.9131.8174.400000109.7P734 Q738P734-G736 PolarHBondContact O-N 3.32Å; G736-Q738 PolarHBondContact O-N 2.89Å
737V38.6Very low48.6Very low136 Ų136118.8 Ų118.882%0.82473%0.734SS**PPolyproline II helixtrans-56.6118.3174-74.60000108.4R735R735-V737 PolarHBondContact O-N 3.05Å
738Q48.5Very low48.3Very low165 Ų165119.7 Ų119.777%0.77174%0.744SS**PPolyproline II helixtrans-81.8127.2170.6177.1176.44.300107G736G736-Q738 PolarHBondContact O-N 2.89Å
739G47.8Very low48Very low39 Ų39120.3 Ų120.340%0.40275%0.745SS.*PPolyproline II helixtrans-65.1144.3-170.400000114.8E449 Q741E449-G739 WeakPolarHBondContact OE1-CA 3.39Å; E449-G739 WeakPolarHBondContact OE2-CA 3.29Å; G739-Q741 PolarHBondContact O-N 3.48Å
740E37.1Very low47.3Very low134 Ų134118 Ų11863%0.62674%0.744SS**PPolyproline II helixtrans-57.7127.8179.7-74.1-165141.300112.4E449E449-E740 HydrophobicContact CB-CB 4.31Å; E449-E740 VanDerWaalsContact O-O 3.11Å; E449-E740 PolarHBondContact OE2-N 3.36Å
741Q45.6Very low47.3Very low192 Ų192118 Ų11890%0.89774%0.743SS**PPolyproline II helixtrans-93.9128.5170.8-164.9176.6-12.800109.3G739G739-Q741 PolarHBondContact O-N 3.48Å
742G46.6Very low47.4Very low57 Ų57118 Ų11859%0.58874%0.743SS**PPolyproline II helixtrans-56.3144.9-172.600000115.4T744G742-T744 PolarHBondContact O-N 2.8Å; G742-T744 VanDerWaalsContact O-N 3.11Å
743A37.6Very low46.7Very low107 Ų107118.2 Ų118.288%0.88475%0.745SS**  trans-58.5110.1-173.900000113.5G745A743-G745 PolarHBondContact O-N 3.34Å
744T50.4Low46.9Very low133 Ų133118.9 Ų118.982%0.81675%0.752SS**  trans-58.7128.7162.2-42.30000109.1G742 L746G742-T744 PolarHBondContact O-N 2.8Å; G742-T744 VanDerWaalsContact O-N 3.11Å; T744-L746 PolarHBondContact O-N 3.48Å
745G47.2Very low47.9Very low62 Ų62124.1 Ų124.164%0.63975%0.754SS**  trans-50136.8179.200000111.7A743 P747A743-G745 PolarHBondContact O-N 3.34Å; G745-P747 VanDerWaalsContact O-CD 3.31Å; G745-P747 WeakPolarHBondContact O-CD 3.5Å
746L39.8Very low48Very low169 Ų169118 Ų11889%0.88575%0.75SS**  trans-42.7115.8-178-72.9168000110.4T744 G748T744-L746 PolarHBondContact O-N 3.48Å; L746-G748 PolarHBondContact O-N 3.11Å
747P55.2Low48.7Very low113 Ų113118.5 Ų118.573%0.73474%0.741SS**  trans-54.6130.5167.7-22.833000108G745 V749G745-P747 VanDerWaalsContact O-CD 3.31Å; G745-P747 WeakPolarHBondContact O-CD 3.5Å; P747-V749 PolarHBondContact O-N 3.44Å
748G48.8Very low50.3Low73 Ų73116.3 Ų116.375%0.75373%0.729SS**  trans-48.4129.5174.800000109.1L746 Q750L746-G748 PolarHBondContact O-N 3.11Å; G748-Q750 PolarHBondContact O-N 3.49Å
749V44.4Very low51.6Low143 Ų143114.3 Ų114.387%0.86772%0.723SS**  trans-41.5114.2179.2-85.10000109.3P747 G751P747-V749 PolarHBondContact O-N 3.44Å; V749-G751 PolarHBondContact O-N 3.11Å
750Q46.6Very low52.7Low192 Ų192119.7 Ų119.790%0.89774%0.738SS**PPolyproline II helixtrans-53.8116.6176.7-17217241.100106.8G748G748-Q750 PolarHBondContact O-N 3.49Å
751G55.3Low54.4Low50 Ų50118 Ų11852%0.51573%0.73SS.*PPolyproline II helixtrans-52.8146176.100000109.2V749V749-G751 PolarHBondContact O-N 3.11Å
752P51.1Low55.9Low119 Ų119112.9 Ų112.977%0.77371%0.708SS**SBendtrans-50.1140.1-179.522-32.7000109.3G754P752-G754 PolarHBondContact O-N 2.99Å
753P50.8Low57.2Low127 Ų127117.3 Ų117.383%0.82571%0.711SS**  trans-45.2121-176.712.1-26.5000109.7R755P753-R755 PolarHBondContact O-N 2.99Å; P753-R755 VanDerWaalsContact O-N 3.17Å
754G53.8Low59.1Low74 Ų74118.3 Ų118.376%0.76370%0.697SS**PPolyproline II helixtrans-50.4125.7-178.100000108.8P752 A756P752-G754 PolarHBondContact O-N 2.99Å; G754-A756 PolarHBondContact O-N 2.66Å
755R61.8Low60.4Low242 Ų242115.4 Ų115.491%0.91368%0.679SS**PPolyproline II helixtrans-48.5127.2-178.3-83.6-177.7175.3-177.3-1.3108.9P753P753-R755 PolarHBondContact O-N 2.99Å; P753-R755 VanDerWaalsContact O-N 3.17Å
756A55.4Low61.8Low87 Ų87115.8 Ų115.872%0.71967%0.671SS**PPolyproline II helixtrans-48.7126.7173.400000108.5G754 T758G754-A756 PolarHBondContact O-N 2.66Å; A756-T758 PolarHBondContact O-N 3.12Å; A756-T758 VanDerWaalsContact O-N 3.13Å
757P60.8Low63.6Low74 Ų74113.6 Ų113.648%0.48166%0.658SS.*PPolyproline II helixtrans-62.4122.2-174.323.5-30.8000108.2H761 I762P757-H761 HydrophobicContact CB-CB 4.16Å; P757-I762 HydrophobicContact CB-CG1 4.02Å; P757-I762 HydrophobicContact CG-CD1 4.29Å; P757-I762 HydrophobicContact CG-CG1 4.16Å
758T71.3Confident64.8Low91 Ų91117 Ų11756%0.55866%0.656SS**PPolyproline II helixtrans-61.4152.8175.945.70000109.5A756 Q760 H761 I762A756-T758 PolarHBondContact O-N 3.12Å; A756-T758 VanDerWaalsContact O-N 3.13Å; T758-Q760 CarbonylContact O-C 3.46Å; T758-Q760 PolarHBondContact O-N 3.44Å; T758-H761 WeakPolarHBondContact O-CA 3.45Å; T758-H761 WeakPolarHBondContact O-CB 3.13Å; T758-H761 PolarHBondContact O-N 3.44Å; T758-I762 PolarHBondContact O-N 3.38Å
759D75.5Confident66.5Low123 Ų123117.1 Ų117.166%0.65864%0.642SS**Hα-helixtrans-52.6-26.6178-80.1-6.5000112.9K763D759-K763 VanDerWaalsContact O-CB 3.3Å; D759-K763 WeakPolarHBondContact O-CB 3.29Å; D759-K763 WeakPolarHBondContact O-CG 3.41Å; D759-K763 PolarHBondContact O-N 3.43Å
760Q71.8Confident68.2Low151 Ų151115.2 Ų115.271%0.70663%0.626SS**Hα-helixtrans-68.1-41.1171.7-75.5-178.3-28.100113T758 K763 Q764T758-Q760 CarbonylContact O-C 3.46Å; T758-Q760 PolarHBondContact O-N 3.44Å; Q760-K763 PolarHBondContact O-N 3.37Å; Q760-Q764 WeakPolarHBondContact O-CB 3.49Å; Q760-Q764 VanDerWaalsContact O-CG 3.32Å; Q760-Q764 WeakPolarHBondContact O-CG 3.2Å; Q760-Q764 PolarHBondContact O-N 3.07Å
761H72.3Confident69.6Low98 Ų98112.2 Ų112.245%0.45461%0.612SS.*Hα-helixtrans-67.1-40.3174.8-168.771.8000111.1P757 T758 Q764 V765P757-H761 HydrophobicContact CB-CB 4.16Å; T758-H761 WeakPolarHBondContact O-CA 3.45Å; T758-H761 WeakPolarHBondContact O-CB 3.13Å; T758-H761 PolarHBondContact O-N 3.44Å; H761-Q764 PolarHBondContact O-N 3.33Å; H761-V765 VanDerWaalsContact O-CG2 3.3Å; H761-V765 WeakPolarHBondContact O-CG2 3.43Å; H761-V765 PolarHBondContact O-N 3.44Å
762I77.4Confident70.6Confident86 Ų86115.8 Ų115.844%0.44162%0.615SS.*Hα-helixtrans-65.2-42.7176.2-59.4175.8000110.6P757 T758 Q764 V765 C766P757-I762 HydrophobicContact CB-CG1 4.02Å; P757-I762 HydrophobicContact CG-CD1 4.29Å; P757-I762 HydrophobicContact CG-CG1 4.16Å; T758-I762 PolarHBondContact O-N 3.38Å; I762-Q764 PolarHBondContact O-N 3.49Å; I762-V765 PolarHBondContact O-N 2.8Å; I762-C766 VanDerWaalsContact O-CB 3.25Å; I762-C766 WeakPolarHBondContact O-CB 3.44Å; I762-C766 PolarHBondContact O-N 3.07Å
763K74.4Confident71.6Confident150 Ų150115.7 Ų115.765%0.65260%0.604SS**Hα-helixtrans-63.1-39.2174.3-77.9176.2-178.7-177.40112.4D759 Q760 C766 M767D759-K763 VanDerWaalsContact O-CB 3.3Å; D759-K763 WeakPolarHBondContact O-CB 3.29Å; D759-K763 WeakPolarHBondContact O-CG 3.41Å; D759-K763 PolarHBondContact O-N 3.43Å; Q760-K763 PolarHBondContact O-N 3.37Å; K763-C766 PolarHBondContact O-N 3.48Å; K763-M767 WeakPolarHBondContact O-CB 3.18Å; K763-M767 PolarHBondContact O-N 3.25Å
764Q76.3Confident72.7Confident128 Ų128116.6 Ų116.660%0.59860%0.595SS**Hα-helixtrans-67.1-41.3176.8-80.2176.4-20.100112.6Q760 H761 I762 R768Q760-Q764 WeakPolarHBondContact O-CB 3.49Å; Q760-Q764 VanDerWaalsContact O-CG 3.32Å; Q760-Q764 WeakPolarHBondContact O-CG 3.2Å; Q760-Q764 PolarHBondContact O-N 3.07Å; H761-Q764 PolarHBondContact O-N 3.33Å; I762-Q764 PolarHBondContact O-N 3.49Å; Q764-R768 WeakPolarHBondContact O-CB 3.46Å; Q764-R768 PolarHBondContact O-N 2.73Å
765V78.3Confident73.5Confident72 Ų72115.9 Ų115.944%0.43658%0.582SS.*Hα-helixtrans-66.3-43.9175.41740000110.2H761 I762 M767 R768 V769H761-V765 VanDerWaalsContact O-CG2 3.3Å; H761-V765 WeakPolarHBondContact O-CG2 3.43Å; H761-V765 PolarHBondContact O-N 3.44Å; I762-V765 PolarHBondContact O-N 2.8Å; V765-M767 PolarHBondContact O-N 3.16Å; V765-R768 PolarHBondContact O-N 3.24Å; V765-V769 WeakPolarHBondContact O-CG2 3.39Å; V765-V769 PolarHBondContact O-N 3.49Å
766C76.9Confident73.8Confident70 Ų70110.6 Ų110.647%0.47357%0.568SS.*Hα-helixtrans-64.1-42.2177.5-162.60000111.8I762 K763 R768 V769 I770I762-C766 VanDerWaalsContact O-CB 3.25Å; I762-C766 WeakPolarHBondContact O-CB 3.44Å; I762-C766 PolarHBondContact O-N 3.07Å; K763-C766 PolarHBondContact O-N 3.48Å; C766-R768 PolarHBondContact O-N 3.1Å; C766-V769 PolarHBondContact O-N 2.76Å; C766-I770 WeakPolarHBondContact O-CB 3.49Å; C766-I770 VanDerWaalsContact O-CG1 3.23Å; C766-I770 WeakPolarHBondContact O-CG1 3.4Å; C766-I770 PolarHBondContact O-N 2.82Å
767M77.9Confident74.4Confident122 Ų122111.8 Ų111.860%0.60156%0.56SS**Hα-helixtrans-61.3-43172.3-97.1179.751.600111.8K763 V765 V769 I770 Q771K763-M767 WeakPolarHBondContact O-CB 3.18Å; K763-M767 PolarHBondContact O-N 3.25Å; V765-M767 PolarHBondContact O-N 3.16Å; M767-V769 PolarHBondContact O-N 3.11Å; M767-I770 PolarHBondContact O-N 3.18Å; M767-Q771 WeakPolarHBondContact O-CB 3.44Å; M767-Q771 PolarHBondContact O-N 3.39Å
768R80.6Confident74.5Confident186 Ų186110.4 Ų110.470%0.70256%0.555SS**Hα-helixtrans-61.1-44.6177.6-110.2-176.7-177.9178.50.2112.3Q764 V765 C766 Q771 E772Q764-R768 WeakPolarHBondContact O-CB 3.46Å; Q764-R768 PolarHBondContact O-N 2.73Å; V765-R768 PolarHBondContact O-N 3.24Å; C766-R768 PolarHBondContact O-N 3.1Å; R768-Q771 PolarHBondContact O-N 3.23Å; R768-E772 WeakPolarHBondContact O-CB 3.24Å; R768-E772 WeakPolarHBondContact O-CG 3.47Å; R768-E772 PolarHBondContact O-N 3.5Å
769V83.5Confident73.9Confident74 Ų74109.4 Ų109.445%0.44856%0.556SS.*Hα-helixtrans-66.6-40.4179.1174.20000111V765 C766 M767 Q771 E772 H773V765-V769 WeakPolarHBondContact O-CG2 3.39Å; V765-V769 PolarHBondContact O-N 3.49Å; C766-V769 PolarHBondContact O-N 2.76Å; M767-V769 PolarHBondContact O-N 3.11Å; V769-Q771 VanDerWaalsContact C-N 3.33Å; V769-E772 PolarHBondContact O-N 3.32Å; V769-H773 WeakPolarHBondContact O-CB 3.01Å; V769-H773 PolarHBondContact O-N 3.18Å
770I79.9Confident73Confident104 Ų104108.3 Ų108.353%0.53356%0.558SS.*Hα-helixtrans-65.7-39.3174.4-68.8167.7000110.6C766 M767 H773 F774C766-I770 WeakPolarHBondContact O-CB 3.49Å; C766-I770 VanDerWaalsContact O-CG1 3.23Å; C766-I770 WeakPolarHBondContact O-CG1 3.4Å; C766-I770 PolarHBondContact O-N 2.82Å; M767-I770 PolarHBondContact O-N 3.18Å; I770-H773 PolarHBondContact O-N 3.04Å; I770-F774 VanDerWaalsContact O-CB 3.3Å; I770-F774 WeakPolarHBondContact O-CB 3.42Å; I770-F774 PolarHBondContact O-N 3.48Å
771Q77.4Confident72.1Confident128 Ų128108.1 Ų108.160%0.59856%0.561SS**Hα-helixtrans-70.6-34.9179.5-149.1170.520.400111.7M767 R768 V769 F774 A775M767-Q771 WeakPolarHBondContact O-CB 3.44Å; M767-Q771 PolarHBondContact O-N 3.39Å; R768-Q771 PolarHBondContact O-N 3.23Å; V769-Q771 VanDerWaalsContact C-N 3.33Å; Q771-F774 PolarHBondContact O-N 3.35Å; Q771-A775 WeakPolarHBondContact O-CB 3.41Å; Q771-A775 PolarHBondContact O-N 3.49Å
772E75.7Confident71.2Confident126 Ų126112 Ų11259%0.58958%0.576SS**Hα-helixtrans-65.6-46170.5-81.2177167.500111.3R768 V769 F774 A775 E776R768-E772 WeakPolarHBondContact O-CB 3.24Å; R768-E772 WeakPolarHBondContact O-CG 3.47Å; R768-E772 PolarHBondContact O-N 3.5Å; V769-E772 PolarHBondContact O-N 3.32Å; E772-F774 VanDerWaalsContact C-N 3.32Å; E772-F774 PolarHBondContact O-N 3.37Å; E772-A775 PolarHBondContact O-N 3.37Å; E772-E776 PolarHBondContact O-N 3.03Å
773H72.1Confident69.6Low117 Ų117119.1 Ų119.154%0.54260%0.598SS.*Hα-helixtrans-63-38.6174.6-103.848.1000112.5V769 I770 E776 M777V769-H773 WeakPolarHBondContact O-CB 3.01Å; V769-H773 PolarHBondContact O-N 3.18Å; I770-H773 PolarHBondContact O-N 3.04Å; H773-E776 IonicContact ND1-OE2 3.31Å; H773-M777 VanDerWaalsContact O-CB 3.32Å; H773-M777 WeakPolarHBondContact O-CB 3.41Å; H773-M777 PolarHBondContact O-N 3.3Å
774F73.4Confident68.2Low146 Ų146117.5 Ų117.564%0.6460%0.602SS**Hα-helixtrans-72.5-33.6177.6-151.4-94.6000111.6I770 Q771 E772 M777 A778I770-F774 VanDerWaalsContact O-CB 3.3Å; I770-F774 WeakPolarHBondContact O-CB 3.42Å; I770-F774 PolarHBondContact O-N 3.48Å; Q771-F774 PolarHBondContact O-N 3.35Å; E772-F774 VanDerWaalsContact C-N 3.32Å; E772-F774 PolarHBondContact O-N 3.37Å; F774-M777 PolarHBondContact O-N 3.09Å; F774-A778 WeakPolarHBondContact O-CB 3.28Å; F774-A778 PolarHBondContact O-N 3.32Å
775A71.7Confident66.7Low58 Ų58118.6 Ų118.648%0.47961%0.613SS.*Hα-helixtrans-69-39.217300000112Q771 E772 A778 A779Q771-A775 WeakPolarHBondContact O-CB 3.41Å; Q771-A775 PolarHBondContact O-N 3.49Å; E772-A775 PolarHBondContact O-N 3.37Å; A775-A778 PolarHBondContact O-N 3.14Å; A775-A779 WeakPolarHBondContact O-CB 3.44Å; A775-A779 PolarHBondContact O-N 3.13Å
776E68.1Low65.1Low131 Ų131121 Ų12161%0.61263%0.633SS**Hα-helixtrans-63.9-41171.8-81.2-176.9146.500111.6E772 H773 A779 S780E772-E776 PolarHBondContact O-N 3.03Å; H773-E776 IonicContact ND1-OE2 3.31Å; E776-A779 PolarHBondContact O-N 3.42Å; E776-S780 WeakPolarHBondContact O-CB 3.36Å; E776-S780 PolarHBondContact O-N 3.4Å
777M67.4Low63.7Low112 Ų112121.6 Ų121.655%0.55265%0.65SS**Hα-helixtrans-69.9-37.8177.5-148.4177.6-62.400111.9H773 F774 S780 L781H773-M777 VanDerWaalsContact O-CB 3.32Å; H773-M777 WeakPolarHBondContact O-CB 3.41Å; H773-M777 PolarHBondContact O-N 3.3Å; F774-M777 PolarHBondContact O-N 3.09Å; M777-S780 WeakPolarHBondContact O-CB 3.45Å; M777-S780 PolarHBondContact O-N 3.42Å; M777-L781 PolarHBondContact O-N 3.18Å
778A62.3Low61.7Low45 Ų45120.1 Ų120.137%0.37266%0.658SS.*Hα-helixtrans-71.3-32.7174.400000112.8F774 A775 L781 K782F774-A778 WeakPolarHBondContact O-CB 3.28Å; F774-A778 PolarHBondContact O-N 3.32Å; A775-A778 PolarHBondContact O-N 3.14Å; A778-L781 PolarHBondContact O-N 3.2Å; A778-K782 PolarHBondContact O-N 3.27Å
779A58.2Low59.8Low71 Ų71117 Ų11759%0.58766%0.664SS**Hα-helixtrans-70.5-32.3172.700000111.9A775 E776 L781A775-A779 WeakPolarHBondContact O-CB 3.44Å; A775-A779 PolarHBondContact O-N 3.13Å; E776-A779 PolarHBondContact O-N 3.42Å; A779-L781 VanDerWaalsContact C-N 3.32Å
780S57.1Low57.7Low100 Ų100117.4 Ų117.470%0.69968%0.683SS**Hα-helixtrans-68.4-30.1172.3-171.80000112.7E776 M777E776-S780 WeakPolarHBondContact O-CB 3.36Å; E776-S780 PolarHBondContact O-N 3.4Å; M777-S780 WeakPolarHBondContact O-CB 3.45Å; M777-S780 PolarHBondContact O-N 3.42Å
781L53.8Low55.8Low147 Ų147120.3 Ų120.377%0.7770%0.699SS**Hα-helixtrans-90.2-8.7-179-75.6164.2000114.9M777 A778 A779M777-L781 PolarHBondContact O-N 3.18Å; A778-L781 PolarHBondContact O-N 3.2Å; A779-L781 VanDerWaalsContact C-N 3.32Å
782K52.6Low54.3Low178 Ų178120.1 Ų120.177%0.77471%0.709SS**  trans-107.685.6172.8-80.7-174.1176.9-177.30111A778A778-K782 PolarHBondContact O-N 3.27Å
783R45.1Very low52.8Low236 Ų236117.5 Ų117.589%0.89172%0.716SS**  trans-107.1118149.4-78.5-172.2-171.5152.34.3108.8
784P43.9Very low51.8Low116 Ų116123.4 Ų123.475%0.75373%0.733SS**  trans-76137.8163.522.4-14.4000109.6
785D45.6Very low50.6Low152 Ų152122.6 Ų122.681%0.81374%0.743SS**SBendtrans-54.6147.8157.7-72.3-51.3000110
786S44.5Very low49.6Very low123 Ų123122.9 Ų122.986%0.8675%0.751SS**SBendtrans88.6125.8169.9-31.10000116.1
787G46.7Very low48.8Very low81 Ų81122.5 Ų122.584%0.83576%0.76SS**  trans-95.2166.7-161.600000117
788A36.6Very low48.3Very low92 Ų92123.4 Ų123.476%0.7677%0.774SS**  trans177.9133.9147.100000109.9
789S40.9Very low47.8Very low121 Ų121124.2 Ų124.285%0.84679%0.787SS**  trans54.9110.3144.9-430000120
790G38.5Very low47.6Very low81 Ų81126.6 Ų126.684%0.83580%0.796SS**PPolyproline II helixtrans-72.2142.5-17800000115.9
791L39.7Very low47.7Very low166 Ų166128.1 Ų128.187%0.86980%0.804SS**PPolyproline II helixtrans-91.4145.9161-74.6164.7000109.6G793L791-G793 PolarHBondContact O-N 3.14Å
792P46.1Very low47.7Very low124 Ų124124 Ų12481%0.80580%0.797SS**PPolyproline II helixtrans-63.3132.4179.1-17.529.8000111.7
793G45Very low47.8Very low71 Ų71121.4 Ų121.473%0.73280%0.798SS**PPolyproline II helixtrans-63.7148.3175.500000112.3L791L791-G793 PolarHBondContact O-N 3.14Å
794R50Low48.3Very low240 Ų240116.2 Ų116.291%0.90680%0.795SS**PPolyproline II helixtrans-59.8141.6173.1-71.1-174.5177.5-156.40110G796R794-G796 PolarHBondContact O-N 3.37Å
795P49Very low48.8Very low130 Ų130113.5 Ų113.584%0.84479%0.789SS**PPolyproline II helixtrans-55.1132.5174.8-23.232.7000110.9
796G51.4Low49Very low64 Ų64116 Ų11666%0.6680%0.795SS**PPolyproline II helixtrans-63.4152.2174.600000111.4R794R794-G796 PolarHBondContact O-N 3.37Å
797P51.5Low49.2Very low122 Ų122117.6 Ų117.679%0.79279%0.794SS**PPolyproline II helixtrans-59.3149.1173.125.6-32.5000110.4G799P797-G799 PolarHBondContact O-N 3.07Å
798P54.9Low49.4Very low131 Ų131116.8 Ų116.885%0.85179%0.786SS**PPolyproline II helixtrans-54133.4177.5-21.931.3000110.9
799G53.3Low49.8Very low62 Ų62122.4 Ų122.464%0.63979%0.794SS**PPolyproline II helixtrans-59.7148.9174.400000111.1P797P797-G799 PolarHBondContact O-N 3.07Å
800P54.2Low50.1Low122 Ų122122.7 Ų122.779%0.79279%0.793SS**PPolyproline II helixtrans-58.4145.8175.724.9-32.7000110.4G802P800-G802 PolarHBondContact O-N 3.08Å
801P59.1Low50.7Low131 Ų131122.3 Ų122.385%0.85179%0.788SS**PPolyproline II helixtrans-53.9133.2175.1-22.532.1000110.4
802G52.9Low51.1Low61 Ų61124.2 Ų124.263%0.62979%0.793SS**PPolyproline II helixtrans-60.4152.7175.400000111.4P800P800-G802 PolarHBondContact O-N 3.08Å
803P54.4Low51.1Low123 Ų123127.1 Ų127.180%0.79980%0.798SS**PPolyproline II helixtrans-58.2141.8175.525.3-32.7000109.8G805P803-G805 PolarHBondContact O-N 3.24Å
804P57Low51.5Low127 Ų127127 Ų12783%0.82580%0.796SS**PPolyproline II helixtrans-55.2129.8174.6-20.630.8000109.9
805G54.2Low51.3Low60 Ų60124.9 Ų124.962%0.61980%0.799SS**PPolyproline II helixtrans-60.6148.617400000111.1P803 N807P803-G805 PolarHBondContact O-N 3.24Å; G805-N807 PolarHBondContact O-N 3.2Å; G805-N807 VanDerWaalsContact O-N 3.11Å
806E49.9Very low51.3Low204 Ų204130.4 Ų130.495%0.95380%0.803SS**PPolyproline II helixtrans-57116.8175.9-73.7-176.5152.200110.2G808E806-G808 PolarHBondContact O-N 3.34Å
807N47.2Very low51.2Low156 Ų156130.5 Ų130.583%0.83480%0.804SS**PPolyproline II helixtrans-75.3120.2175-69.2-30.8000109.2G805G805-N807 PolarHBondContact O-N 3.2Å; G805-N807 VanDerWaalsContact O-N 3.11Å
808G51.8Low50.9Low64 Ų64132.9 Ų132.966%0.6681%0.809SS**PPolyproline II helixtrans-62.5148.2164.900000111.6E806E806-G808 PolarHBondContact O-N 3.34Å
809F44.2Very low50.6Low211 Ų211132.4 Ų132.493%0.92581%0.806SS**PPolyproline II helixtrans-53.6126.7-175.9-70.5-85.7000112.7
810P48.7Very low50.4Low127 Ų127133 Ų13383%0.82581%0.812SS**PPolyproline II helixtrans-75132.7178.9-12.127.4000112
811G50.4Low50.2Low72 Ų72135.7 Ų135.774%0.74282%0.818SS**PPolyproline II helixtrans-68.5149.7168.100000112.4M813G811-M813 PolarHBondContact O-N 3.29Å
812Q48Very low49.6Very low207 Ų207139.5 Ų139.597%0.96782%0.821SS**PPolyproline II helixtrans-58.5124.5-177.3-91177-22.500112.7
813M46Very low49.5Very low185 Ų185139.5 Ų139.591%0.91182%0.821SS**PPolyproline II helixtrans-85.3126.8178.3-171.9178.3-72.500110.5G811G811-M813 PolarHBondContact O-N 3.29Å
814G53.7Low49.2Very low67 Ų67139.7 Ų139.769%0.69182%0.823SS**PPolyproline II helixtrans-68.9150.617500000113.2
815M44.4Very low48.9Very low196 Ų196139.9 Ų139.997%0.96682%0.824SS**PPolyproline II helixtrans-63.3131.5-174.9-63.3-179.569.100112.5
816R49.5Very low48.8Very low246 Ų246140.4 Ų140.493%0.92883%0.829SS**PPolyproline II helixtrans-80.4133179.2-176.5-177.4-88.2-163.4-4.8110.5
817G49.5Very low48.6Very low66 Ų66135.8 Ų135.868%0.6883%0.826SS**PPolyproline II helixtrans-65.5153.5177.300000114.2
818L45.5Very low48.3Very low172 Ų172136.5 Ų136.590%0.90183%0.829SS**PPolyproline II helixtrans-63.8140.5-174.1-74.4160.8000113.1
819P47.7Very low48Very low121 Ų121137 Ų13779%0.78683%0.833SS**PPolyproline II helixtrans-68.9140.1176.2-15.929.8000112.9
820G50.9Low48.3Very low75 Ų75135.5 Ų135.577%0.77383%0.834SS**PPolyproline II helixtrans-65.6142.9178.200000114.2
821I48.6Very low48.2Very low179 Ų179141.3 Ų141.392%0.91884%0.84SS**PPolyproline II helixtrans-61.5131.2178.623.1172.3000112.3
822K46.6Very low48.3Very low210 Ų210140.7 Ų140.791%0.91383%0.834SS**PPolyproline II helixtrans-78.9129.5-179.1-156.5176-173.3179.10110.4
823G51.1Low48.4Very low61 Ų61137.3 Ų137.363%0.62983%0.83SS**PPolyproline II helixtrans-63.9160179.700000114.1
824P49.1Very low48.2Very low128 Ų128138.2 Ų138.283%0.83183%0.828SS**PPolyproline II helixtrans-67.5152.2-172.925.9-33.1000113.3
825P50.1Low47.9Very low131 Ų131138.4 Ų138.485%0.85183%0.83SS**PPolyproline II helixtrans-66.9139-180-15.128.8000112.7
826G51.1Low48Very low70 Ų70137 Ų13772%0.72283%0.826SS**PPolyproline II helixtrans-66.4151.1173.700000113.2
827A45.8Very low47.9Very low107 Ų107134.1 Ų134.188%0.88483%0.829SS**PPolyproline II helixtrans-62.4133.3-17500000113.3
828L42Very low47.6Very low172 Ų172134.6 Ų134.690%0.90183%0.833SS**PPolyproline II helixtrans-69.3129.3173-103.592.4000111
829G46.1Very low47.5Very low73 Ų73135.8 Ų135.875%0.75383%0.834SS**PPolyproline II helixtrans-67.9140.1170.800000112.7
830L49.7Very low47.5Very low181 Ų181140.3 Ų140.395%0.94884%0.842SS**PPolyproline II helixtrans-65.7134.4-179-68166.2000111.8
831R46.1Very low47.4Very low248 Ų248140.2 Ų140.294%0.93684%0.84SS**PPolyproline II helixtrans-77.2124.4178.8-155.9179.5-161.7-169.54.9109.6
832G53Low47.1Very low60 Ų60141.3 Ų141.362%0.61984%0.841SS**PPolyproline II helixtrans-64.2156.817800000113.5
833P50Low46.9Very low136 Ų136143.1 Ų143.188%0.88384%0.843SS**PPolyproline II helixtrans-65.9148-174.926.2-32.8000112.8
834K42Very low46.8Very low204 Ų204143 Ų14389%0.88784%0.841SS**PPolyproline II helixtrans-74.6122.8-175.5-172.9-178.3179.4-173.30110.2
835G48.2Very low46.8Very low70 Ų70142.8 Ų142.872%0.72284%0.84SS**PPolyproline II helixtrans-72.7150175.700000113.3
836D44.8Very low46.4Very low167 Ų167142.9 Ų142.989%0.89384%0.84SS**PPolyproline II helixtrans-73.5158.5-174.9-67.5-43.8000114.4
837L47.6Very low45.8Very low186 Ų186143.2 Ų143.297%0.97484%0.844SS**PPolyproline II helixtrans-66.5126-175.7-128.683.3000112.1
838G43.2Very low45.9Very low75 Ų75150.1 Ų150.177%0.77385%0.847SS**  trans-121.6144.5173.100000113.1
839E45Very low46.2Very low197 Ų197144.9 Ų144.992%0.92184%0.835SS**  trans-71.1158.8-176.4-67.8-176.4130.600114.8
840K47.7Very low46.3Very low217 Ų217147.9 Ų147.994%0.94384%0.841SS**  trans-9.2131.5171.6-85.8176.4172.5175.90118.6
841G47.5Very low46.1Very low72 Ų72149.2 Ų149.274%0.74284%0.839SS**  trans146.6119.8146.500000116.5
842E42.6Very low46.2Very low202 Ų202141 Ų14194%0.94483%0.832SS**  trans62.5136158.3-60-171.4167.600121.9
843R43Very low46Very low249 Ų249146.2 Ų146.294%0.9485%0.845SS**  trans-87.8108.8-178.7-176.8-173.1-64.2-150.30.4109.9
844G47.7Very low45.9Very low58 Ų58145.7 Ų145.760%0.59884%0.841SS**  trans-73.7157.916700000113.2
845P49.1Very low46.2Very low123 Ų123139.6 Ų139.680%0.79984%0.836SS**  trans-74.6147.9-17530.5-32.8000111.9G847P845-G847 PolarHBondContact O-N 3.47Å; P845-G847 VanDerWaalsContact O-N 3.08Å
846P41.7Very low46.3Very low133 Ų133141.3 Ų141.386%0.86484%0.843SS**  trans-72.9105.2-179.327.4-30.9000111.1
847G40.2Very low46.6Very low78 Ų78140.2 Ų140.280%0.80484%0.842SS**  trans-74.2129166.300000111.2P845P845-G847 PolarHBondContact O-N 3.47Å; P845-G847 VanDerWaalsContact O-N 3.08Å
848R47.3Very low46.4Very low251 Ų251134.6 Ų134.695%0.94783%0.829SS**  trans-95107.8178.4-150.6-177-161.7-162.16.7108.8
849G47.2Very low46.7Very low63 Ų63139.1 Ų139.165%0.64984%0.835SS**PPolyproline II helixtrans-71.9149.117300000112.3
850P48.5Very low46.9Very low136 Ų136135.5 Ų135.588%0.88383%0.828SS**PPolyproline II helixtrans-68.9139.9-177.926.6-32.1000112.3
851K46.7Very low46.7Very low209 Ų209128.8 Ų128.891%0.90982%0.821SS**PPolyproline II helixtrans-67.3134.5173.2-88.6-178.3172.5-177.40110.3
852G46.3Very low46.8Very low75 Ų75133 Ų13377%0.77383%0.826SS**PPolyproline II helixtrans-63.5148170.700000112.6
853L49Very low47Very low170 Ų170129.4 Ų129.489%0.8982%0.82SS**PPolyproline II helixtrans-68.5142.9-177.7-72.3163.1000112.1
854P48.7Very low47.1Very low125 Ų125120.8 Ų120.881%0.81281%0.81SS**PPolyproline II helixtrans-65.4140.3173.9-17.630.6000112.4
855G47.7Very low47.1Very low75 Ų75124.5 Ų124.577%0.77382%0.823SS**PPolyproline II helixtrans-68.8153176.500000113.5
856A51.3Low46.7Very low106 Ų106123 Ų12388%0.87682%0.821SS**PPolyproline II helixtrans-65.4147.3-174.800000113.8
857V51.6Low46.5Very low144 Ų144122.6 Ų122.687%0.87382%0.821SS**PPolyproline II helixtrans-71.7130.4-179.7-178.60000110.3
858G43.2Very low46.8Very low68 Ų68129.7 Ų129.770%0.70183%0.825SS**PPolyproline II helixtrans-71.3147.3178.400000113.3
859L49.8Very low46.5Very low170 Ų170121.3 Ų121.389%0.8982%0.817SS**PPolyproline II helixtrans-69.6146.2-177.4-75.1161.3000112.6
860P48Very low46.4Very low121 Ų121129.5 Ų129.579%0.78683%0.828SS**PPolyproline II helixtrans-65.9138.7176.5-15.929.9000112.2
861G43.5Very low46.5Very low76 Ų76130.8 Ų130.878%0.78483%0.828SS**PPolyproline II helixtrans-78.8152.8177.600000113.7
862D49Very low46.2Very low160 Ų160124 Ų12486%0.85682%0.818SS**PPolyproline II helixtrans-70.3148.2-172.6-67.6-49.8000114.3
863P47.8Very low46.5Very low127 Ų127132.5 Ų132.583%0.82583%0.826SS**PPolyproline II helixtrans-69.3138.4-178.6-16.830.9000114
864G44Very low46.4Very low69 Ų69132.2 Ų132.271%0.71183%0.826SS**PPolyproline II helixtrans-74.4156.9174.200000114.2
865P49.2Very low46.5Very low136 Ų136129.7 Ų129.788%0.88382%0.822SS**PPolyproline II helixtrans-78.2146.6-172.131-33.9000113.7
866A40Very low46.7Very low92 Ų92135.4 Ų135.476%0.7683%0.829SS**PPolyproline II helixtrans-79.3138.3-170.300000114.6
867S37.8Very low46.6Very low123 Ų123142 Ų14286%0.8683%0.831SS**PPolyproline II helixtrans-102.3127.6168.7460000111
868Y45.9Very low46.8Very low227 Ų227137.7 Ų137.789%0.8982%0.815SS**PPolyproline II helixtrans-84121.1-174.2-81.5-98.1000112.3
869G41.3Very low47.5Very low75 Ų75140.1 Ų140.177%0.77382%0.819SS**  trans-110115.9162.400000110
870R45.6Very low47.7Very low236 Ų236138 Ų13889%0.89182%0.816SS**  trans-68.2136.9-177.5-87.1174.9169.9176.3-3.9112
871N49.4Very low47.9Very low163 Ų163136 Ų13687%0.87282%0.817SS**  trans90.477.9158.8-50.4-15.9000117.6
872G42Very low48.6Very low67 Ų67139.1 Ų139.169%0.69182%0.82SS**  trans-172125.8153.100000107.9D874G872-D874 PolarHBondContact O-N 3.44Å
873R50.9Low48.8Very low253 Ų253135.7 Ų135.796%0.95581%0.814SS**  trans-59.6137.7179.7-76.4179.2-178.1172.30.2110.1G875R873-G875 PolarHBondContact O-N 2.9Å; R873-G875 VanDerWaalsContact O-N 3.16Å
874D48.8Very low48.9Very low164 Ų164133.2 Ų133.288%0.87781%0.812SS**  trans-58.4114.8171.3-59.5-47000109.6G872G872-D874 PolarHBondContact O-N 3.44Å
875G49.7Very low49.4Very low72 Ų72137.3 Ų137.374%0.74282%0.816SS**  trans-75127.8163.600000108.6R873 R877R873-G875 PolarHBondContact O-N 2.9Å; R873-G875 VanDerWaalsContact O-N 3.16Å; G875-R877 PolarHBondContact O-N 3.33Å
876E52.7Low49.5Very low195 Ų195136.3 Ų136.391%0.91181%0.809SS**  trans-50.9133.3175.9-69.5-177.2154.200111.1G878E876-G878 PolarHBondContact O-N 3.1Å
877R49.3Very low49.8Very low244 Ų244135.5 Ų135.592%0.92181%0.81SS**  trans-64110.6172.7-177-176-64.2-145.80.3108.2G875G875-R877 PolarHBondContact O-N 3.33Å
878G54Low50.5Low53 Ų53135.8 Ų135.855%0.54681%0.806SS.*PPolyproline II helixtrans-55.4148.517300000111.7E876E876-G878 PolarHBondContact O-N 3.1Å
879P58Low50.8Low120 Ų120130.7 Ų130.778%0.77980%0.801SS**PPolyproline II helixtrans-59.4150.8178.524.5-32.7000110.9G881P879-G881 PolarHBondContact O-N 3.17Å
880P55.9Low51.5Low126 Ų126130.2 Ų130.282%0.81880%0.796SS**PPolyproline II helixtrans-52.5130.4174.2-22.131.5000110.6V882P880-V882 PolarHBondContact O-N 3.29Å
881G50.9Low51.8Low79 Ų79124.7 Ų124.781%0.81479%0.79SS**PPolyproline II helixtrans-55.7129.9177.800000111.1P879P879-G881 PolarHBondContact O-N 3.17Å
882V59.1Low52Low140 Ų140123 Ų12385%0.84879%0.788SS**PPolyproline II helixtrans-65.3140.5177.2-171.90000109.1P880 G884P880-V882 PolarHBondContact O-N 3.29Å; V882-G884 PolarHBondContact O-N 3.46Å
883A52.8Low52.8Low89 Ų89122.8 Ų122.874%0.73679%0.787SS**PPolyproline II helixtrans-52.7127.817400000110.4I885A883-I885 PolarHBondContact O-N 3.2Å
884G50Low52.7Low74 Ų74116.7 Ų116.776%0.76378%0.779SS**PPolyproline II helixtrans-60132-178.100000111.8V882V882-G884 PolarHBondContact O-N 3.46Å
885I54.8Low53Low155 Ų155115 Ų11580%0.79578%0.777SS**PPolyproline II helixtrans-68.8133.3177.3-56.7169.9000108.3A883 G887A883-I885 PolarHBondContact O-N 3.2Å; I885-G887 PolarHBondContact O-N 3.38Å
886P51.5Low53.1Low116 Ų116115 Ų11575%0.75378%0.778SS**PPolyproline II helixtrans-54.6126.1171.9-22.832.6000110.4V888P886-V888 PolarHBondContact O-N 3.23Å
887G46Very low52.7Low75 Ų75113.9 Ų113.977%0.77378%0.777SS**PPolyproline II helixtrans-57.7129-176.600000112.1I885I885-G887 PolarHBondContact O-N 3.38Å
888V52.9Low52.6Low129 Ų129107.4 Ų107.478%0.78277%0.767SS**PPolyproline II helixtrans-68133.9174.7-175.10000108.8P886 G890P886-V888 PolarHBondContact O-N 3.23Å; V888-G890 PolarHBondContact O-N 3.43Å
889P51.2Low51.9Low119 Ų119108.7 Ų108.777%0.77378%0.78SS**PPolyproline II helixtrans-54.2129.6173-2533.9000111.1
890G57Low50.9Low65 Ų65112.9 Ų112.967%0.6779%0.786SS**PPolyproline II helixtrans-61.4149.7-178.600000112.5V888V888-G890 PolarHBondContact O-N 3.43Å
891P50.6Low50Low120 Ų120112.9 Ų112.978%0.77979%0.787SS**PPolyproline II helixtrans-63.7152.5179.826.6-33.3000111.5G893P891-G893 PolarHBondContact O-N 3.13Å
892P54.2Low49.2Very low128 Ų128118.1 Ų118.183%0.83179%0.791SS**PPolyproline II helixtrans-54.8136.2175.2-21.231000111.3
893G59.6Low48.5Very low63 Ų63117.4 Ų117.465%0.64979%0.789SS**PPolyproline II helixtrans-59.2152.7176.500000112.2P891P891-G893 PolarHBondContact O-N 3.13Å
894P47.8Very low48Very low124 Ų124117.2 Ų117.281%0.80579%0.788SS**PPolyproline II helixtrans-62.4146.3-176.125.4-33.1000111.4G896P894-G896 PolarHBondContact O-N 3.47Å
895P54.2Low47.5Very low128 Ų128119.6 Ų119.683%0.83179%0.792SS**PPolyproline II helixtrans-59.6134.1176.622.7-30.5000110.5
896G52.4Low46.5Very low73 Ų73118.5 Ų118.575%0.75380%0.797SS**PPolyproline II helixtrans-59.4144.9176.900000111.9P894P894-G896 PolarHBondContact O-N 3.47Å
897L44.5Very low45.8Very low171 Ų171119.2 Ų119.290%0.89580%0.799SS**PPolyproline II helixtrans-56.1139.1-178.2-73.7159.6000111.8G899L897-G899 PolarHBondContact O-N 3Å
898P47.3Very low45.2Very low109 Ų109124.4 Ų124.471%0.70881%0.806SS**PPolyproline II helixtrans-66126.1177.125-30.7000110.5F900P898-F900 PolarHBondContact O-N 3.44Å
899G38.9Very low44.3Very low79 Ų79127.3 Ų127.381%0.81481%0.811SS**PPolyproline II helixtrans-64.6118.4173.200000110.8L897 C901L897-G899 PolarHBondContact O-N 3Å; G899-C901 PolarHBondContact O-N 3.27Å
900F37.8Very low43.7Very low208 Ų208126.7 Ų126.791%0.91282%0.816SS**PPolyproline II helixtrans-69119.7167.8-99.6-102.2000109.4P898P898-F900 PolarHBondContact O-N 3.44Å
901C36.4Very low42.5Very low126 Ų126127 Ų12785%0.85182%0.82SS**PPolyproline II helixtrans-92.7120.3163-97.90000108.6G899G899-C901 PolarHBondContact O-N 3.27Å
902E34.2Very low41.7Very low189 Ų189129.7 Ų129.788%0.88382%0.822SS**PPolyproline II helixtrans-87.1127171.3-158.1174.9-15700109.6A904E902-A904 PolarHBondContact O-N 3.21Å
903P44.2Very low40.6Very low126 Ų126134.8 Ų134.882%0.81882%0.824SS**  trans-95.284.3-172.135.6-31000111
904A42.4Very low39.3Very low85 Ų85136.4 Ų136.470%0.70283%0.832SS**  trans-157.779.4165.400000111E902E902-A904 PolarHBondContact O-N 3.21Å
905S40.4Very low38.7Very low123 Ų123139.6 Ų139.686%0.8683%0.833SS**  trans-179.561.8152.3-78.60000110.3
906C32.3Very low37.7Very low133 Ų133141.6 Ų141.690%0.89984%0.835SS**  trans-140.184.2168.2-93.60000110
907T37.8Very low37Very low130 Ų130147.1 Ų147.180%0.79884%0.838SS**  trans-147.8109154.641.60000107.5
908M33.8Very low36.5Very low185 Ų185142.4 Ų142.491%0.91183%0.831SS**  trans-158.4132.7136.6-84.9-44.4-102.500109.9
909Q33.7Very low36.9Very low189 Ų189142.8 Ų142.888%0.88383%0.834SS**  trans-71.8155.2-170.6-73.3163.9-49.500114.2
910A37.9Very low36.7Very low107 Ų107146.1 Ų146.188%0.88483%0.833SS**  trans-73.4145.5166.400000112.5
911G31.8Very low37.7Very low72 Ų72145.7 Ų145.774%0.74285%0.851SS**  trans-170.388.9172.900000115.6
912Q33.3Very low37.8Very low176 Ų176146.7 Ų146.782%0.82285%0.851SS**  trans56.2123.3138.8-64.3-176.5-800124.8
913R32.2Very low38Very low234 Ų234144.5 Ų144.588%0.88385%0.849SS**  trans58.8141133-71.6178.4169.3175.4-4119.1
914A31.3Very low37.6Very low98 Ų98145.5 Ų145.581%0.8185%0.851SS**  cis-158.9160.532.800000113.7
915F35.3Very low37.3Very low191 Ų191149.1 Ų149.184%0.83886%0.86SS**  trans-68.9146.9173.2-92.9-102000114.6
916I33.3Very low37.1Very low170 Ų170150.7 Ų150.787%0.87286%0.86SS**  trans-141.3129140.9-59.4-174.4000109.5
917K37.9Very low37.5Very low188 Ų188151.9 Ų151.982%0.81786%0.857SS**  trans-76134.6174.3-77174.2167179.30110.7
918G34.4Very low37.4Very low72 Ų72153.4 Ų153.474%0.74286%0.861SS**  108.5170.586.300000110.7
919P56.3Low37.7Very low117 Ų117151 Ų15176%0.7686%0.858SS**  cis-133.2-177.8-22.240.9-22.8000115
920D33.8Very low38.1Very low149 Ų149147.8 Ų147.880%0.79786%0.856SS**  trans128.3139.7145.4-76.3-10.7000117.4
921P59.2Low38.1Very low200 Ų200151.5 Ų151.5100%1.29985%0.853SS**  trans-85.90-138.832.3-36.8000117.6

Retrieved 921 of 921 residues in 2919.5 ms (Link to these results)