A0A096N222_PAPAN Loading...

Protein FEV

AlphaFold DB , UniProt , Accession A0A096N222, Species PAPAN (Papio anubis, Olive baboon), Gene FEV, Length 238 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
1M36.8Very low40.2Very low232 Ų232144.7 Ų144.7100%1.14382%0.817SS**  0115.10-8975.8159.300107.5
2R35.4Very low40Very low223 Ų223143.2 Ų143.284%0.84280%0.803SS**  47128.776.2-80.2-174141.7167-3.2110.6
3Q38.4Very low39.1Very low146 Ų146143.1 Ų143.168%0.68280%0.8SS**  cis-174.2165.224.6-116.8-17675.200108.6
4S41Very low38.4Very low110 Ų110142.1 Ų142.177%0.76979%0.788SS**  trans23.6145.3139.2-48.90000120.2
5G35.3Very low38Very low70 Ų70147.5 Ų147.572%0.72279%0.794SS**  cis150.9155.418.100000108.9
6A47.8Very low37.9Very low105 Ų105144.1 Ų144.187%0.86877%0.774SS**  trans49.1123.9157.200000120.9
7S33.9Very low37.9Very low123 Ų123142.3 Ų142.386%0.8677%0.772SS**  -168126.1122.5-142.80000111.5
8Q49.1Very low38.1Very low167 Ų167141.4 Ų141.478%0.7877%0.767SS**  trans-68.5162.5164.1-69.6-81.315.600109.7
9P44Very low39.4Very low116 Ų116139.8 Ų139.875%0.75376%0.764SS**  -147.8138.8104.532.8-14000116.6
10L44.6Very low39.3Very low139 Ų139140.1 Ų140.173%0.72877%0.771SS**  trans11.2135.5136.5-48-176.3000121.1
11L36Very low39.1Very low161 Ų161136.9 Ų136.984%0.84377%0.77SS**  170.8103.8128.1-89.9158.5000107.4
12I37.5Very low39.1Very low126 Ų126134 Ų13465%0.64676%0.759SS**  59.7101.470.3-56.1161.1000113.3
13N27.9Very low39.4Very low142 Ų142126.7 Ų126.776%0.75975%0.752SS**  178.7114.4118.6-117.618.8000109.7
14M30.6Very low39.6Very low130 Ų130126.8 Ų126.864%0.6476%0.757SS**  74.3102.585.8-76.9-92.184.700113.7L16M14-L16 HydrophobicContact CE-CB 3.78Å; M14-L16 HydrophobicContact SD-CB 4.42Å
15Y32.4Very low39.4Very low223 Ų223131.4 Ų131.488%0.87576%0.764SS**  -140.897.7123-148.5-98.7000109.9
16L35.1Very low39.4Very low92 Ų92137.6 Ų137.648%0.48277%0.77SS.*  trans-69.9149.1157.2-176.965.1000108.4M14 D18M14-L16 HydrophobicContact CE-CB 3.78Å; M14-L16 HydrophobicContact SD-CB 4.42Å; L16-D18 HydrophobicContact CD1-CB 4.08Å; L16-D18 HydrophobicContact CD2-CB 4.17Å; L16-D18 HydrophobicContact CG-CB 4.14Å
17P39.4Very low39.1Very low114 Ų114142.3 Ų142.374%0.7478%0.775SS**  -125.5120.4127.432.2-23.7000111
18D40.7Very low39.9Very low127 Ų127139.2 Ų139.268%0.67976%0.762SS**  trans-138156.9156.9-93.7-54.2000103.6L16L16-D18 HydrophobicContact CD1-CB 4.08Å; L16-D18 HydrophobicContact CD2-CB 4.17Å; L16-D18 HydrophobicContact CG-CB 4.14Å
19P63.4Low39.3Very low110 Ų110141.5 Ų141.571%0.71477%0.769SS**  cis-140.217618.932.7-10.2000114.4
20V37.1Very low38.8Very low146 Ų146142.4 Ų142.489%0.88577%0.768SS**  171.5121.9122.6157.70000108.4
21G33.8Very low38.8Very low73 Ų73139.6 Ų139.675%0.75376%0.758SS**  trans156.156.7170.400000114.1
22D38.1Very low38.9Very low172 Ų172137 Ų13792%0.9275%0.753SS**  trans-50.1143.1166-99.5-77.3000112.8
23G41.3Very low39.6Very low68 Ų68137.6 Ų137.670%0.70175%0.748SS**  trans106.1128.8145.400000116.6
24L42.8Very low40.4Very low149 Ų149132.1 Ų132.178%0.7873%0.725SS**  trans84.977.1142.5-162.174.5000116.5
25F36.9Very low41.3Very low207 Ų207132 Ų13291%0.90873%0.734SS**  -151.896.1126-85.8-67.7000110.5
26K35.4Very low42Very low199 Ų199126.7 Ų126.787%0.86572%0.72SS**  trans-6.7124.7150-129.9170.8177.4178.60115.3G28K26-G28 PolarHBondContact O-N 2.73Å
27E41.4Very low42.6Very low205 Ų205126.4 Ų126.496%0.95873%0.726SS**SBendtrans-2.4110.3154.2-163.3150.587.200115.8
28G50.9Low42.9Very low58 Ų58125.2 Ų125.260%0.59872%0.718SS**  trans148.298.1168.600000112.1K26K26-G28 PolarHBondContact O-N 2.73Å
29K36.8Very low43.1Very low214 Ų214122.2 Ų122.293%0.9371%0.71SS**  trans-172.7115144.7-102140.8-172.6170.90112.5
30N32.8Very low42.7Very low135 Ų135122.7 Ų122.772%0.72271%0.711SS**  trans69.6122157.3-119.9-9.3000117.8S32N30-S32 PolarHBondContact O-N 3.3Å
31P44.1Very low43.2Very low81 Ų81122 Ų12253%0.52670%0.699SS.*  trans-65.590.815529-29000106.7W33P31-W33 VanDerWaalsContact C-N 3.26Å; P31-W33 VanDerWaalsContact O-CD1 3.24Å; P31-W33 PolarHBondContact O-N 2.81Å
32S39.8Very low43.7Very low106 Ų106128.2 Ų128.274%0.74171%0.705SS**  trans-61.494.1170.7-173.50000107N30 G34N30-S32 PolarHBondContact O-N 3.3Å; S32-G34 PolarHBondContact O-N 3.47Å
33W51.4Low44.4Very low139 Ų139122.8 Ų122.853%0.52769%0.689SS.*  trans-70.578.8159.9-62.794.7000105.5P31 W87P31-W33 VanDerWaalsContact C-N 3.26Å; P31-W33 VanDerWaalsContact O-CD1 3.24Å; P31-W33 PolarHBondContact O-N 2.81Å; W33-W87 HydrophobicContact CH2-CZ2 4.28Å
34G44.3Very low45.1Very low27 Ų27121.2 Ų121.228%0.27867%0.668SS.*  trans-58.5156.9174.400000110.6S32 L36S32-G34 PolarHBondContact O-N 3.47Å; G34-L36 PolarHBondContact O-N 3.1Å
35P48.8Very low46.3Very low128 Ų128116.1 Ų116.183%0.83165%0.651SS**  trans-66.9106.6173.227.5-29.8000107.7
36L47.8Very low48.5Very low111 Ų111111.2 Ų111.258%0.58163%0.631SS**  trans-115.5135.7-174.7-69.2179000112.1G34G34-L36 PolarHBondContact O-N 3.1Å
37S47.7Very low51.1Low86 Ų86102.6 Ų102.660%0.60159%0.594SS**  trans-62.8162.3-162.2-30.40000115.5A39S37-A39 PolarHBondContact O-N 3.13Å
38P46.5Very low53.6Low88 Ų8895.9 Ų95.957%0.57156%0.563SS**SBendtrans-89.893.5-171.636.7-31.8000110.9P137P38-P137 HydrophobicContact CB-CB 3.61Å; P38-P137 HydrophobicContact CB-CG 4.47Å; P38-P137 HydrophobicContact CG-CB 3.66Å
39A44.6Very low55.7Low64 Ų6493.1 Ų93.153%0.52953%0.534SS..  trans-148.695.1154.300000107.4S37 Q41S37-A39 PolarHBondContact O-N 3.13Å; A39-Q41 HydrophobicContact CB-CG 4.3Å; A39-Q41 PolarHBondContact O-N 3.37Å
40V54.5Low58.5Low121 Ų12183.3 Ų83.373%0.73349%0.491SS*.  trans-67.478.4168.767.40000108K42V40-K42 PolarHBondContact O-N 2.91Å
41Q47.6Very low61.5Low132 Ų13279 Ų7962%0.61747%0.467SS*.  trans-75.7110.5169-68.9-82.3-19.200105.7A39 G43 S44A39-Q41 HydrophobicContact CB-CG 4.3Å; A39-Q41 PolarHBondContact O-N 3.37Å; Q41-G43 PolarHBondContact O-N 3.37Å; Q41-S44 PolarHBondContact O-N 3.47Å
42K45.2Very low64Low203 Ų20375.3 Ų75.388%0.88344%0.442SS*.THydrogen-bonded Turntrans-56.199175.1-162.7-179.1-174.1-172.60108V40V40-K42 PolarHBondContact O-N 2.91Å
43G52.3Low66.7Low58 Ų5870.2 Ų70.260%0.59841%0.407SS*.THydrogen-bonded Turntrans105.50.8-17800000117Q41Q41-G43 PolarHBondContact O-N 3.37Å
44S57Low68.8Low35 Ų3565.8 Ų65.825%0.24539%0.393CS..  trans-72.4141.9169.679.90000109.8Q41 Q46 I47Q41-S44 PolarHBondContact O-N 3.47Å; S44-Q46 PolarHBondContact O-N 2.91Å; S44-Q46 PolarHBondContact OG-N 3Å; S44-I47 PolarHBondContact O-N 2.88Å
45G65.9Low71.3Confident41 Ų4168.2 Ų68.242%0.42340%0.397SS..THydrogen-bonded Turntrans-60.15.1171.600000113.5K91G45-K91 WeakPolarHBondContact O-CD 3.4Å; G45-K91 WeakPolarHBondContact O-CE 3.4Å; G45-K91 PolarHBondContact O-NZ 3.34Å
46Q84.1Confident73.5Confident105 Ų10562.7 Ų62.749%0.49136%0.361SS..THydrogen-bonded Turntrans-98.619.9179-162.4168-13.600112.9S44S44-Q46 PolarHBondContact O-N 2.91Å; S44-Q46 PolarHBondContact OG-N 3Å
47I90.8Very high75.8Confident17 Ų1757.6 Ų57.69%0.08733%0.334CS..  trans-72.1143.8172.2-171.1167.6000111.6S44 Q51 F52 E55 W87 R90S44-I47 PolarHBondContact O-N 2.88Å; I47-Q51 HydrophobicContact CD1-CB 4.05Å; I47-Q51 HydrophobicContact CG1-CB 3.69Å; I47-F52 HydrophobicContact CD1-CB 3.94Å; I47-F52 HydrophobicContact CG1-CB 4.22Å; I47-E55 VanDerWaalsContact CD1-OE2 3.3Å; I47-E55 WeakPolarHBondContact CD1-OE2 3.36Å; I47-W87 HydrophobicContact CG2-CH2 4.47Å; I47-W87 HydrophobicContact CG2-CZ3 3.95Å; I47-W87 WeakPolarHBondContact O-CH2 3.43Å; I47-R90 HydrophobicContact CG2-CG 3.46Å; I47-R90 VanDerWaalsContact CG2-CG 3.46Å
48Q93.4Very high78.1Confident65 Ų6557.5 Ų57.530%0.30434%0.339SS..  trans-85.7155.7172.8-67176.469.600111.5W50 Q51 F52Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 HydrophobicContact CB-CG 4.49Å; Q48-W50 VanDerWaalsContact CD-NE1 3.32Å; Q48-W50 PolarHBondContact O-N 3.45Å; Q48-Q51 HydrophobicContact CB-CG 4.3Å; Q48-Q51 VanDerWaalsContact N-OE1 3.17Å; Q48-Q51 WeakPolarHBondContact O-CB 3.39Å; Q48-Q51 PolarHBondContact O-N 2.82Å; Q48-Q51 VanDerWaalsContact O-N 3.16Å; Q48-F52 PolarHBondContact O-N 3.44Å
49L95.4Very high80.3Confident0 Ų057.6 Ų57.60%033%0.334CS..Hα-helixtrans-59.5-44-178.217761.8000112Q51 F52 L53 W87 L101 A104 L105 Y108L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.99Å; L49-F52 HydrophobicContact CD1-CD1 4.21Å; L49-F52 PolarHBondContact O-N 3.1Å; L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 HydrophobicContact CD1-CD2 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.23Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 3.02Å; L49-W87 HydrophobicContact CB-CH2 4.15Å; L49-W87 HydrophobicContact CB-CZ2 3.97Å; L49-W87 HydrophobicContact CD1-CD2 3.88Å; L49-W87 HydrophobicContact CD1-CE3 4.23Å; L49-W87 HydrophobicContact CD1-CG 4.14Å; L49-W87 HydrophobicContact CD1-CZ2 4.39Å; L49-L101 HydrophobicContact CD1-CD1 4.06Å; L49-L101 HydrophobicContact CD1-CG 4.08Å; L49-L101 HydrophobicContact CD2-CD2 4.35Å; L49-L101 HydrophobicContact CD2-CG 4.09Å; L49-A104 HydrophobicContact CD2-CB 3.57Å; L49-L105 HydrophobicContact CD2-CD2 3.59Å; L49-L105 HydrophobicContact CD2-CG 4.04Å; L49-L105 HydrophobicContact CG-CD2 4.13Å; L49-Y108 HydrophobicContact CB-CE2 4.11Å; L49-Y108 HydrophobicContact CD2-CE2 4.29Å; L49-Y108 HydrophobicContact CG-CE2 4.36Å
50W95.4Very high82.6Confident8 Ų862.7 Ų62.73%0.0334%0.34CS..Hα-helixtrans-61.2-38.2178.669.7-98.6000112.5Q48 L54 Y108 I113 M114 F126 L131 A134 C135Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 HydrophobicContact CB-CG 4.49Å; Q48-W50 VanDerWaalsContact CD-NE1 3.32Å; Q48-W50 PolarHBondContact O-N 3.45Å; W50-L54 HydrophobicContact CE3-CD1 3.84Å; W50-L54 HydrophobicContact CZ3-CD1 3.96Å; W50-L54 WeakPolarHBondContact O-CG 2.99Å; W50-L54 PolarHBondContact O-N 2.91Å; W50-L54 VanDerWaalsContact O-N 3.15Å; W50-Y108 HydrophobicContact CB-CE2 4.03Å; W50-Y108 AromaticContact CD1-CZ 3.81Å; W50-I113 HydrophobicContact CB-CG2 3.94Å; W50-I113 HydrophobicContact CG-CG2 4.13Å; W50-M114 HydrophobicContact CB-CE 4.1Å; W50-F126 HydrophobicContact CB-CE1 4.14Å; W50-L131 HydrophobicContact CD2-CD1 4Å; W50-L131 HydrophobicContact CE3-CD1 3.29Å; W50-L131 HydrophobicContact CH2-CD1 4.34Å; W50-L131 HydrophobicContact CZ3-CD1 3.49Å; W50-L131 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L131 HydrophobicContact CZ3-CG 4.42Å; W50-A134 HydrophobicContact CZ2-CB 4Å; W50-C135 WeakPolarHBondContact CH2-SG 3.35Å
51Q95Very high84.5Confident43 Ų4361 Ų6120%0.20134%0.338CS..Hα-helixtrans-67.4-44.2176.3-68.1172.4-2800111I47 Q48 L49 L53 L54 E55I47-Q51 HydrophobicContact CD1-CB 4.05Å; I47-Q51 HydrophobicContact CG1-CB 3.69Å; Q48-Q51 HydrophobicContact CB-CG 4.3Å; Q48-Q51 VanDerWaalsContact N-OE1 3.17Å; Q48-Q51 WeakPolarHBondContact O-CB 3.39Å; Q48-Q51 PolarHBondContact O-N 2.82Å; Q48-Q51 VanDerWaalsContact O-N 3.16Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.99Å; Q51-L53 PolarHBondContact O-N 3.49Å; Q51-L54 PolarHBondContact O-N 3.24Å; Q51-E55 WeakPolarHBondContact O-CB 3.3Å; Q51-E55 PolarHBondContact O-N 2.94Å
52F96.5Very high86.7Confident4 Ų455.7 Ų55.72%0.01831%0.314CS..Hα-helixtrans-61.9-42.2178168.7-101.2000112.3I47 Q48 L49 E55 L56 V83 R86 W87 R90I47-F52 HydrophobicContact CD1-CB 3.94Å; I47-F52 HydrophobicContact CG1-CB 4.22Å; Q48-F52 PolarHBondContact O-N 3.44Å; L49-F52 HydrophobicContact CD1-CD1 4.21Å; L49-F52 PolarHBondContact O-N 3.1Å; F52-E55 WeakPolarHBondContact O-CB 3.47Å; F52-E55 PolarHBondContact O-N 3.17Å; F52-L56 HydrophobicContact CD1-CD1 4.37Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE1-CG 4.25Å; F52-L56 HydrophobicContact CE2-CD1 4.29Å; F52-L56 HydrophobicContact CE2-CD2 4.3Å; F52-L56 HydrophobicContact CE2-CG 4.2Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 3.99Å; F52-L56 PolarHBondContact O-N 3.14Å; F52-V83 HydrophobicContact CE1-CG1 4.43Å; F52-R86 HydrophobicContact CZ-CB 3.86Å; F52-W87 HydrophobicContact CB-CE3 3.8Å; F52-W87 HydrophobicContact CB-CZ3 3.54Å; F52-W87 HydrophobicContact CD1-CB 4.3Å; F52-W87 HydrophobicContact CD1-CD2 4.19Å; F52-W87 AromaticContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CE3 3.44Å; F52-W87 VanDerWaalsContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CZ3 4.1Å; F52-W87 HydrophobicContact CD2-CE3 4.01Å; F52-W87 HydrophobicContact CD2-CZ3 4.34Å; F52-W87 HydrophobicContact CE1-CB 3.72Å; F52-W87 HydrophobicContact CE1-CD2 4.47Å; F52-W87 AromaticContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CG 4.44Å; F52-W87 HydrophobicContact CE2-CE3 4.45Å; F52-W87 AromaticContact CG-CE3 3.46Å; F52-W87 HydrophobicContact CG-CE3 3.46Å; F52-W87 VanDerWaalsContact CG-CE3 3.46Å; F52-W87 AromaticContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CZ-CB 4.17Å; F52-W87 HydrophobicContact CZ-CE3 4.41Å; F52-R90 HydrophobicContact CD2-CB 4.37Å; F52-R90 HydrophobicContact CD2-CG 4.11Å; F52-R90 HydrophobicContact CE2-CB 4.15Å; F52-R90 HydrophobicContact CE2-CG 4.37Å
53L97Very high89.1Confident0 Ų048.2 Ų48.20%029%0.29CS..Hα-helixtrans-64.5-41.7176.7-66.8179.2000111.7L49 Q51 E55 L56 L57 I66 F75 L77 V83 L105 M114 F126L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 HydrophobicContact CD1-CD2 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.23Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 3.02Å; Q51-L53 PolarHBondContact O-N 3.49Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.28Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 WeakPolarHBondContact O-CD1 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.48Å; L53-I66 HydrophobicContact CB-CD1 4.35Å; L53-I66 HydrophobicContact CD2-CD1 3.82Å; L53-F75 HydrophobicContact CD1-CE2 4.34Å; L53-F75 HydrophobicContact CD1-CZ 4.15Å; L53-L77 HydrophobicContact CD2-CD2 4.47Å; L53-V83 HydrophobicContact CD2-CG1 3.75Å; L53-L105 HydrophobicContact CD1-CD2 3.61Å; L53-M114 HydrophobicContact CD1-CE 4.4Å; L53-F126 HydrophobicContact CB-CZ 4.3Å
54L95.6Very high91.1Very high46 Ų4648.4 Ų48.424%0.24129%0.292CS..Hα-helixtrans-61.5-39.7173.1-76.4174.8000112.3W50 Q51 L57 A58 W68 F126 L131W50-L54 HydrophobicContact CE3-CD1 3.84Å; W50-L54 HydrophobicContact CZ3-CD1 3.96Å; W50-L54 WeakPolarHBondContact O-CG 2.99Å; W50-L54 PolarHBondContact O-N 2.91Å; W50-L54 VanDerWaalsContact O-N 3.15Å; Q51-L54 PolarHBondContact O-N 3.24Å; L54-L57 PolarHBondContact O-N 3.15Å; L54-A58 WeakPolarHBondContact O-CB 3.41Å; L54-A58 PolarHBondContact O-N 3.35Å; L54-W68 HydrophobicContact CD2-CH2 3.73Å; L54-W68 HydrophobicContact CD2-CZ2 3.96Å; L54-F126 HydrophobicContact CD1-CE1 4.5Å; L54-F126 HydrophobicContact CD2-CD2 4Å; L54-F126 HydrophobicContact CD2-CE1 4.48Å; L54-F126 HydrophobicContact CD2-CE2 3.67Å; L54-F126 HydrophobicContact CD2-CZ 3.94Å; L54-F126 HydrophobicContact CG-CE1 4.21Å; L54-F126 HydrophobicContact CG-CE2 4.02Å; L54-F126 HydrophobicContact CG-CZ 3.76Å; L54-L131 HydrophobicContact CD1-CD1 4.12Å; L54-L131 HydrophobicContact CD1-CD2 3.96Å
55E95.5Very high93Very high77 Ų7747 Ų4736%0.3628%0.282SS..Hα-helixtrans-61.5-44.9176.5-167.9-172.9137.600111.3I47 Q51 F52 L53 A58 R90I47-E55 VanDerWaalsContact CD1-OE2 3.3Å; I47-E55 WeakPolarHBondContact CD1-OE2 3.36Å; Q51-E55 WeakPolarHBondContact O-CB 3.3Å; Q51-E55 PolarHBondContact O-N 2.94Å; F52-E55 WeakPolarHBondContact O-CB 3.47Å; F52-E55 PolarHBondContact O-N 3.17Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.28Å; E55-A58 PolarHBondContact O-N 2.99Å; E55-R90 IonicContact OE1-CZ 2.78Å; E55-R90 IonicContact OE1-NH1 3.58Å; E55-R90 PolarHBondContact OE1-NH1 2.9Å; E55-R90 IonicContact OE1-NH2 3.68Å; E55-R90 PolarHBondContact OE1-NH2 3.45Å; E55-R90 IonicContact OE2-CZ 3.54Å; E55-R90 IonicContact OE2-NH1 3.52Å; E55-R90 PolarHBondContact OE2-NH1 2.98Å; E55-R90 IonicContact OE2-NH2 3.6Å
56L96.4Very high94.5Very high13 Ų1345.1 Ų45.17%0.06826%0.263CS..Hα-helixtrans-63.8-42.2175.1-67.3-176.1000111.9F52 L53 A58 D59 N62 I66 V83F52-L56 HydrophobicContact CD1-CD1 4.37Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE1-CG 4.25Å; F52-L56 HydrophobicContact CE2-CD1 4.29Å; F52-L56 HydrophobicContact CE2-CD2 4.3Å; F52-L56 HydrophobicContact CE2-CG 4.2Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 3.99Å; F52-L56 PolarHBondContact O-N 3.14Å; L53-L56 PolarHBondContact O-N 3.33Å; L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.5Å; L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-O 3.1Å; L56-N62 WeakPolarHBondContact O-CB 3.36Å; L56-N62 PolarHBondContact O-ND2 3.35Å; L56-I66 HydrophobicContact CB-CG2 3.55Å; L56-I66 HydrophobicContact CD1-CG2 4Å; L56-I66 HydrophobicContact CG-CG2 4.43Å; L56-V83 HydrophobicContact CD1-CG1 4.31Å
57L96.3Very high95.1Very high4 Ų441.2 Ų41.22%0.02125%0.248CC..Hα-helixtrans-69.6-20.4-179.7-81.4168000114.1L53 L54 D59 I66 W68 F75 F126L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 WeakPolarHBondContact O-CD1 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 3.15Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG1 4.45Å; L57-I66 HydrophobicContact CD2-CD1 4.17Å; L57-I66 HydrophobicContact CD2-CG1 3.74Å; L57-I66 HydrophobicContact CG-CD1 3.76Å; L57-I66 HydrophobicContact CG-CG1 3.9Å; L57-W68 HydrophobicContact CB-CD2 4.43Å; L57-W68 HydrophobicContact CB-CH2 4.47Å; L57-W68 HydrophobicContact CB-CZ2 3.64Å; L57-W68 HydrophobicContact CD1-CD2 4.36Å; L57-W68 HydrophobicContact CD1-CE3 4.33Å; L57-W68 HydrophobicContact CD1-CH2 3.75Å; L57-W68 HydrophobicContact CD1-CZ2 3.77Å; L57-W68 HydrophobicContact CD1-CZ3 4.03Å; L57-W68 HydrophobicContact CD2-CD2 3.92Å; L57-W68 HydrophobicContact CD2-CE3 4.44Å; L57-W68 HydrophobicContact CD2-CG 4.01Å; L57-W68 HydrophobicContact CG-CD2 4.48Å; L57-W68 HydrophobicContact CG-CZ2 4.18Å; L57-W68 PolarHBondContact O-NE1 3.4Å; L57-F75 HydrophobicContact CD1-CB 3.88Å; L57-F75 HydrophobicContact CD1-CD1 4.12Å; L57-F75 HydrophobicContact CD1-CD2 3.97Å; L57-F75 HydrophobicContact CD1-CG 3.73Å; L57-F75 HydrophobicContact CD2-CB 3.92Å; L57-F126 HydrophobicContact CD1-CE2 3.99Å
58A94.6Very high95.4Very high84 Ų8444.1 Ų44.169%0.69426%0.258SS*.Hα-helixtrans-69.5-29.7176.800000112L54 E55 L56L54-A58 WeakPolarHBondContact O-CB 3.41Å; L54-A58 PolarHBondContact O-N 3.35Å; E55-A58 PolarHBondContact O-N 2.99Å; L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.5Å
59D94.3Very high95.4Very high89 Ų8944.1 Ų44.148%0.47626%0.258SS..  trans-104119.5178.8-174-4000111.4L56 L57 A61 N62L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-O 3.1Å; L57-D59 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 2.99Å; D59-A61 WeakPolarHBondContact OD1-CB 3.25Å; D59-A61 PolarHBondContact OD1-N 2.89Å; D59-N62 PolarHBondContact O-N 3.04Å; D59-N62 VanDerWaalsContact O-N 3.14Å
60R91.8Very high95Very high172 Ų17247.5 Ų47.565%0.64929%0.293SS*.G310 helixtrans-66-19.4179.4-65.2-66.3178.9172.8-2.6113N62 A63R60-N62 PolarHBondContact O-N 2.88Å; R60-A63 VanDerWaalsContact O-CB 3.25Å; R60-A63 WeakPolarHBondContact O-CB 3.39Å; R60-A63 PolarHBondContact O-N 2.94Å; R60-A63 VanDerWaalsContact O-N 3.1Å
61A94.6Very high94.8Very high84 Ų8449.1 Ų49.169%0.69431%0.312SS*.G310 helixtrans-60.5-22.7173.200000112.7D59 A63D59-A61 PolarHBondContact O-N 2.99Å; D59-A61 WeakPolarHBondContact OD1-CB 3.25Å; D59-A61 PolarHBondContact OD1-N 2.89Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.95Å
62N94.8Very high94.5Very high21 Ų2155 Ų5511%0.11234%0.339CS..G310 helixtrans-84.23.3178.1-60.6-49.7000114.1L56 D59 R60 G64 C65 I66 R86L56-N62 WeakPolarHBondContact O-CB 3.36Å; L56-N62 PolarHBondContact O-ND2 3.35Å; D59-N62 PolarHBondContact O-N 3.04Å; D59-N62 VanDerWaalsContact O-N 3.14Å; R60-N62 PolarHBondContact O-N 2.88Å; N62-G64 PolarHBondContact O-N 2.8Å; N62-C65 PolarHBondContact O-N 2.79Å; N62-C65 PolarHBondContact O-SG 3.29Å; N62-C65 VanDerWaalsContact O-SG 3.35Å; N62-I66 CarbonylContact C-O 3.59Å; N62-I66 HydrophobicContact CB-CG2 4.25Å; N62-I66 PolarHBondContact O-N 2.94Å; N62-R86 PolarHBondContact OD1-NH1 3.49Å
63A94.1Very high94.4Very high47 Ų4755.4 Ų55.439%0.38834%0.344SS..G310 helixtrans-55.6-25-177.100000114.2R60 A61 C65 I66 A67 T78R60-A63 VanDerWaalsContact O-CB 3.25Å; R60-A63 WeakPolarHBondContact O-CB 3.39Å; R60-A63 PolarHBondContact O-N 2.94Å; R60-A63 VanDerWaalsContact O-N 3.1Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.95Å; A63-C65 VanDerWaalsContact C-N 3.25Å; A63-C65 PolarHBondContact O-N 2.95Å; A63-I66 WeakPolarHBondContact CA-O 3.32Å; A63-A67 HydrophobicContact CB-CB 4.35Å; A63-T78 PolarHBondContact O-OG1 3.46Å
64G95.1Very high94.4Very high61 Ų6156.9 Ų56.963%0.62935%0.351SS*.G310 helixtrans-63-26.9174.600000114.1N62 T78N62-G64 PolarHBondContact O-N 2.8Å; G64-T78 WeakPolarHBondContact O-CB 3.4Å
65C96.6Very high94.5Very high6 Ų654.7 Ų54.74%0.04134%0.339CS..THydrogen-bonded Turntrans-117.3-31.3178.965.10000113.9N62 A63 L77 T78 D79 E82 V83N62-C65 PolarHBondContact O-N 2.79Å; N62-C65 PolarHBondContact O-SG 3.29Å; N62-C65 VanDerWaalsContact O-SG 3.35Å; A63-C65 VanDerWaalsContact C-N 3.25Å; A63-C65 PolarHBondContact O-N 2.95Å; C65-L77 CarbonylContact O-C 3.41Å; C65-L77 WeakPolarHBondContact O-CA 3.13Å; C65-T78 PolarHBondContact O-N 2.89Å; C65-D79 HydrophobicContact CB-CB 3.99Å; C65-D79 PolarHBondContact O-N 2.82Å; C65-D79 VanDerWaalsContact O-N 3.1Å; C65-E82 HydrophobicContact CB-CB 3.96Å; C65-E82 HydrophobicContact CB-CG 3.77Å; C65-V83 HydrophobicContact CB-CG2 3.95Å; C65-V83 WeakPolarHBondContact O-CG2 3.28Å
66I98.1Very high94.6Very high2 Ų254.4 Ų54.41%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-149.9134.4176.8-171.2174.6000111L53 L56 L57 N62 A63 F75 K76 L77 V83L53-I66 HydrophobicContact CB-CD1 4.35Å; L53-I66 HydrophobicContact CD2-CD1 3.82Å; L56-I66 HydrophobicContact CB-CG2 3.55Å; L56-I66 HydrophobicContact CD1-CG2 4Å; L56-I66 HydrophobicContact CG-CG2 4.43Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG1 4.45Å; L57-I66 HydrophobicContact CD2-CD1 4.17Å; L57-I66 HydrophobicContact CD2-CG1 3.74Å; L57-I66 HydrophobicContact CG-CD1 3.76Å; L57-I66 HydrophobicContact CG-CG1 3.9Å; N62-I66 CarbonylContact C-O 3.59Å; N62-I66 HydrophobicContact CB-CG2 4.25Å; N62-I66 PolarHBondContact O-N 2.94Å; A63-I66 WeakPolarHBondContact CA-O 3.32Å; I66-F75 HydrophobicContact CD1-CD2 3.92Å; I66-F75 HydrophobicContact CD1-CE2 4.04Å; I66-F75 HydrophobicContact CG1-CD2 4.09Å; I66-K76 WeakPolarHBondContact CA-O 3.4Å; I66-L77 HydrophobicContact CB-CD2 4.36Å; I66-L77 HydrophobicContact CD1-CD2 3.77Å; I66-L77 HydrophobicContact CG1-CD2 4.01Å; I66-V83 HydrophobicContact CB-CG2 3.99Å; I66-V83 HydrophobicContact CG2-CG2 4.43Å
67A97.1Very high94.6Very high23 Ų2353.9 Ų53.919%0.1933%0.334CS..EExtended strand (participates in β ladder)trans-145.1148.8-178.500000112.1A63 E69 F75 K76A63-A67 HydrophobicContact CB-CB 4.35Å; A67-E69 PolarHBondContact O-N 3.37Å; A67-F75 CarbonylContact O-C 3.57Å; A67-F75 VanDerWaalsContact O-CA 3.3Å; A67-F75 WeakPolarHBondContact O-CA 3.42Å; A67-F75 WeakPolarHBondContact O-CB 3.47Å; A67-K76 PolarHBondContact N-O 2.91Å; A67-K76 PolarHBondContact O-N 3.11Å
68W96.8Very high94.7Very high78 Ų7857.6 Ų57.630%0.29536%0.357SS..EExtended strand (participates in β ladder)trans-63.4128.8163.4-64.2109.3000109.1L54 L57 F75 F126L54-W68 HydrophobicContact CD2-CH2 3.73Å; L54-W68 HydrophobicContact CD2-CZ2 3.96Å; L57-W68 HydrophobicContact CB-CD2 4.43Å; L57-W68 HydrophobicContact CB-CH2 4.47Å; L57-W68 HydrophobicContact CB-CZ2 3.64Å; L57-W68 HydrophobicContact CD1-CD2 4.36Å; L57-W68 HydrophobicContact CD1-CE3 4.33Å; L57-W68 HydrophobicContact CD1-CH2 3.75Å; L57-W68 HydrophobicContact CD1-CZ2 3.77Å; L57-W68 HydrophobicContact CD1-CZ3 4.03Å; L57-W68 HydrophobicContact CD2-CD2 3.92Å; L57-W68 HydrophobicContact CD2-CE3 4.44Å; L57-W68 HydrophobicContact CD2-CG 4.01Å; L57-W68 HydrophobicContact CG-CD2 4.48Å; L57-W68 HydrophobicContact CG-CZ2 4.18Å; L57-W68 PolarHBondContact O-NE1 3.4Å; W68-F75 HydrophobicContact CE3-CB 3.86Å; W68-F75 HydrophobicContact CZ3-CB 4.15Å; W68-F75 HydrophobicContact CZ3-CD1 4.31Å; W68-F126 AromaticContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CE2 4.2Å; W68-F126 HydrophobicContact CZ3-CD2 4.01Å
69E93.6Very high94.9Very high65 Ų6556.8 Ų56.830%0.30434%0.341SS..  trans-134.9132.9179.3-171.7-173.4127.900108.4A67 E74 K76 K120A67-E69 PolarHBondContact O-N 3.37Å; E69-E74 PolarHBondContact N-O 3.39Å; E69-E74 CarbonylContact O-C 3.42Å; E69-E74 WeakPolarHBondContact O-CB 3.48Å; E69-E74 WeakPolarHBondContact O-CG 3.45Å; E69-K76 HydrophobicContact CB-CB 4.3Å; E69-K76 WeakPolarHBondContact OE2-CD 3.46Å; E69-K120 IonicContact OE1-NZ 2.81Å; E69-K120 PolarHBondContact OE1-NZ 2.75Å
70G87.1Confident95Very high70 Ų7053.3 Ų53.372%0.72232%0.323SS*.SBendtrans74.8-150.1-176.500000113
71G89.6Confident95.3Very high42 Ų4250.1 Ų50.143%0.43332%0.319SS..SBendtrans-121.6171.8-175.500000113.2G73 E74G71-G73 PolarHBondContact O-N 2.91Å; G71-E74 WeakPolarHBondContact O-CB 3.32Å; G71-E74 PolarHBondContact O-N 3.34Å
72H89.7Confident95.5Very high167 Ų16748.2 Ų48.277%0.77330%0.296SS*.THydrogen-bonded Turntrans55.842.5172.2-58.3-95.4000115.1E74 R125H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 3.29Å; H72-R125 WeakPolarHBondContact O-CG 3.48Å
73G93.4Very high95.6Very high12 Ų1247.2 Ų47.212%0.12429%0.291CS..THydrogen-bonded Turntrans77.317.417600000114.5G71 R125 F126G71-G73 PolarHBondContact O-N 2.91Å; G73-R125 WeakPolarHBondContact O-CA 3.49Å; G73-F126 PolarHBondContact O-N 3.16Å
74E97.3Very high95.8Very high31 Ų3145 Ų4515%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-73.4135.7168.4-178.9176.5143.900111E69 G71 H72 V117 K120 Y124 R125E69-E74 PolarHBondContact N-O 3.39Å; E69-E74 CarbonylContact O-C 3.42Å; E69-E74 WeakPolarHBondContact O-CB 3.48Å; E69-E74 WeakPolarHBondContact O-CG 3.45Å; G71-E74 WeakPolarHBondContact O-CB 3.32Å; G71-E74 PolarHBondContact O-N 3.34Å; H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 3.29Å; E74-V117 HydrophobicContact CG-CG2 3.95Å; E74-K120 IonicContact OE1-NZ 2.73Å; E74-K120 PolarHBondContact OE1-NZ 3.13Å; E74-Y124 CarbonylContact C-O 3.58Å; E74-Y124 WeakPolarHBondContact CA-O 3.49Å; E74-R125 HydrophobicContact CB-CB 4.41Å; E74-R125 HydrophobicContact CB-CG 4.32Å
75F97.6Very high95.9Very high0 Ų047.7 Ų47.70%026%0.263CS..EExtended strand (participates in β ladder)trans-143.9160.4178.371.5-86.6000110.6L53 L57 I66 A67 W68 A123 Y124 F126L53-F75 HydrophobicContact CD1-CE2 4.34Å; L53-F75 HydrophobicContact CD1-CZ 4.15Å; L57-F75 HydrophobicContact CD1-CB 3.88Å; L57-F75 HydrophobicContact CD1-CD1 4.12Å; L57-F75 HydrophobicContact CD1-CD2 3.97Å; L57-F75 HydrophobicContact CD1-CG 3.73Å; L57-F75 HydrophobicContact CD2-CB 3.92Å; I66-F75 HydrophobicContact CD1-CD2 3.92Å; I66-F75 HydrophobicContact CD1-CE2 4.04Å; I66-F75 HydrophobicContact CG1-CD2 4.09Å; A67-F75 CarbonylContact O-C 3.57Å; A67-F75 VanDerWaalsContact O-CA 3.3Å; A67-F75 WeakPolarHBondContact O-CA 3.42Å; A67-F75 WeakPolarHBondContact O-CB 3.47Å; W68-F75 HydrophobicContact CE3-CB 3.86Å; W68-F75 HydrophobicContact CZ3-CB 4.15Å; W68-F75 HydrophobicContact CZ3-CD1 4.31Å; F75-A123 WeakPolarHBondContact O-CA 3.42Å; F75-Y124 WeakPolarHBondContact CD1-O 3.44Å; F75-Y124 HydrophobicContact CE2-CD2 4.24Å; F75-Y124 HydrophobicContact CZ-CD2 4.38Å; F75-Y124 HydrophobicContact CZ-CG 4.22Å; F75-Y124 PolarHBondContact N-O 2.73Å; F75-Y124 PolarHBondContact O-N 2.77Å; F75-F126 AromaticContact CD1-CD2 3.65Å; F75-F126 HydrophobicContact CD1-CD2 3.65Å; F75-F126 AromaticContact CD1-CE2 3.68Å; F75-F126 HydrophobicContact CD1-CE2 3.68Å; F75-F126 AromaticContact CE1-CD2 3.46Å; F75-F126 HydrophobicContact CE1-CD2 3.46Å; F75-F126 VanDerWaalsContact CE1-CD2 3.46Å; F75-F126 AromaticContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CG 4.32Å; F75-F126 HydrophobicContact CE1-CZ 4.01Å; F75-F126 AromaticContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CZ 4.35Å
76K97.4Very high96Very high72 Ų7251.1 Ų51.131%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-131.4143.1178.2-176.8-178.7173.2-170.40110.8I66 A67 E69 T78I66-K76 WeakPolarHBondContact CA-O 3.4Å; A67-K76 PolarHBondContact N-O 2.91Å; A67-K76 PolarHBondContact O-N 3.11Å; E69-K76 HydrophobicContact CB-CB 4.3Å; E69-K76 WeakPolarHBondContact OE2-CD 3.46Å; K76-T78 PolarHBondContact O-N 2.72Å
77L97.8Very high95.9Very high1 Ų151.3 Ų51.31%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-85.8103166.8-52.8158000107.4L53 C65 I66 P80 V83 Y98 Y122 Y124L53-L77 HydrophobicContact CD2-CD2 4.47Å; C65-L77 CarbonylContact O-C 3.41Å; C65-L77 WeakPolarHBondContact O-CA 3.13Å; I66-L77 HydrophobicContact CB-CD2 4.36Å; I66-L77 HydrophobicContact CD1-CD2 3.77Å; I66-L77 HydrophobicContact CG1-CD2 4.01Å; L77-P80 HydrophobicContact CB-CB 4.27Å; L77-V83 HydrophobicContact CD2-CB 3.96Å; L77-V83 HydrophobicContact CD2-CG1 3.73Å; L77-V83 HydrophobicContact CD2-CG2 3.72Å; L77-Y98 HydrophobicContact CD1-CD2 4.43Å; L77-Y98 HydrophobicContact CD1-CE2 3.77Å; L77-Y122 PolarHBondContact N-O 3.27Å; L77-Y124 HydrophobicContact CD1-CD2 4.29Å; L77-Y124 HydrophobicContact CD1-CE2 3.73Å
78T97.6Very high95.8Very high82 Ų8250.4 Ų50.450%0.50327%0.269SS..SBendtrans-67.2-42.9175.9-500000110.3A63 G64 C65 K76A63-T78 PolarHBondContact O-OG1 3.46Å; G64-T78 WeakPolarHBondContact O-CB 3.4Å; C65-T78 PolarHBondContact O-N 2.89Å; K76-T78 PolarHBondContact O-N 2.72Å
79D98Very high95.8Very high68 Ų6852.7 Ų52.736%0.36428%0.283SS..SBendtrans-12491.7173.7-171.5-23000108.7C65 D81 E82 V83C65-D79 HydrophobicContact CB-CB 3.99Å; C65-D79 PolarHBondContact O-N 2.82Å; C65-D79 VanDerWaalsContact O-N 3.1Å; D79-D81 PolarHBondContact O-N 3.08Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-D81 VanDerWaalsContact OD1-N 3.15Å; D79-E82 HydrophobicContact CB-CB 4.03Å; D79-E82 PolarHBondContact O-N 3.31Å; D79-E82 PolarHBondContact OD1-N 3.48Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 3.19Å
80P97.5Very high95.8Very high15 Ų1552.5 Ų52.510%0.09728%0.28CS..Hα-helixtrans-65.3-26.9-177.925.7-33.1000113.2L77 A84 Y98 Y122L77-P80 HydrophobicContact CB-CB 4.27Å; P80-A84 WeakPolarHBondContact O-CB 3.28Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.08Å; P80-Y98 HydrophobicContact CB-CD2 3.46Å; P80-Y98 VanDerWaalsContact CB-CD2 3.46Å; P80-Y98 HydrophobicContact CB-CE2 3.94Å; P80-Y98 HydrophobicContact CB-CG 3.83Å; P80-Y122 HydrophobicContact CB-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD2 4.28Å; P80-Y122 HydrophobicContact CG-CE1 4.27Å; P80-Y122 HydrophobicContact CG-CE2 4.22Å; P80-Y122 HydrophobicContact CG-CG 4.35Å
81D98.1Very high96Very high106 Ų10652.6 Ų52.657%0.56726%0.26SS*.Hα-helixtrans-76.2-42.1-179-68.3-44.1000110.7D79 V83 A84 R85D79-D81 PolarHBondContact O-N 3.08Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-D81 VanDerWaalsContact OD1-N 3.15Å; D81-V83 VanDerWaalsContact C-N 3.34Å; D81-V83 PolarHBondContact O-N 3.23Å; D81-A84 PolarHBondContact O-N 2.78Å; D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 3.01Å
82E97.9Very high96.1Very high44 Ų4455.7 Ų55.721%0.20628%0.275CS..Hα-helixtrans-63.9-38.9174.3177.656.9-165.500111.9C65 D79 A84 R85 R86C65-E82 HydrophobicContact CB-CB 3.96Å; C65-E82 HydrophobicContact CB-CG 3.77Å; D79-E82 HydrophobicContact CB-CB 4.03Å; D79-E82 PolarHBondContact O-N 3.31Å; D79-E82 PolarHBondContact OD1-N 3.48Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 2.78Å; E82-R85 PolarHBondContact O-N 3.24Å; E82-R85 IonicContact OE1-CZ 3.59Å; E82-R85 IonicContact OE1-NE 3.56Å; E82-R85 IonicContact OE1-NH2 2.78Å; E82-R85 PolarHBondContact OE1-NH2 3.48Å; E82-R85 IonicContact OE2-CZ 3.61Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 3.15Å; E82-R85 IonicContact OE2-NH2 3.55Å; E82-R86 WeakPolarHBondContact O-CG 3.37Å; E82-R86 PolarHBondContact O-N 3.34Å; E82-R86 WeakPolarHBondContact OE1-CG 3.46Å; E82-R86 IonicContact OE1-CZ 3.4Å; E82-R86 IonicContact OE1-NE 2.84Å; E82-R86 PolarHBondContact OE1-NE 3.28Å; E82-R86 IonicContact OE1-NH2 2.71Å
83V98.1Very high96.2Very high0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-63.3-41.6174176.20000111F52 L53 L56 C65 I66 L77 D79 D81 W87 L101F52-V83 HydrophobicContact CE1-CG1 4.43Å; L53-V83 HydrophobicContact CD2-CG1 3.75Å; L56-V83 HydrophobicContact CD1-CG1 4.31Å; C65-V83 HydrophobicContact CB-CG2 3.95Å; C65-V83 WeakPolarHBondContact O-CG2 3.28Å; I66-V83 HydrophobicContact CB-CG2 3.99Å; I66-V83 HydrophobicContact CG2-CG2 4.43Å; L77-V83 HydrophobicContact CD2-CB 3.96Å; L77-V83 HydrophobicContact CD2-CG1 3.73Å; L77-V83 HydrophobicContact CD2-CG2 3.72Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 3.19Å; D81-V83 VanDerWaalsContact C-N 3.34Å; D81-V83 PolarHBondContact O-N 3.23Å; V83-W87 WeakPolarHBondContact O-CB 3.46Å; V83-W87 PolarHBondContact O-N 2.78Å; V83-L101 HydrophobicContact CG1-CD1 4.15Å
84A97.9Very high96Very high0 Ų057.8 Ų57.80%029%0.291CS..Hα-helixtrans-65.9-38.817600000112.4P80 D81 E82 W87 G88 M96 L101P80-A84 WeakPolarHBondContact O-CB 3.28Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.08Å; D81-A84 PolarHBondContact O-N 2.78Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 2.78Å; A84-W87 PolarHBondContact O-N 2.95Å; A84-G88 PolarHBondContact O-N 2.95Å; A84-M96 HydrophobicContact CB-CG 4.46Å; A84-M96 WeakPolarHBondContact O-CG 3.43Å; A84-L101 HydrophobicContact CB-CD1 4.21Å
85R97.8Very high95.9Very high117 Ų11762.4 Ų62.444%0.44232%0.317SS..Hα-helixtrans-61.4-50.8175.6-169.1-162.266.570.81.6111D81 E82 W87 G88 E89D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 3.01Å; E82-R85 PolarHBondContact O-N 3.24Å; E82-R85 IonicContact OE1-CZ 3.59Å; E82-R85 IonicContact OE1-NE 3.56Å; E82-R85 IonicContact OE1-NH2 2.78Å; E82-R85 PolarHBondContact OE1-NH2 3.48Å; E82-R85 IonicContact OE2-CZ 3.61Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 3.15Å; E82-R85 IonicContact OE2-NH2 3.55Å; R85-W87 VanDerWaalsContact C-N 3.3Å; R85-W87 PolarHBondContact O-N 2.86Å; R85-G88 CarbonylContact O-C 3.59Å; R85-G88 WeakPolarHBondContact O-CA 3.45Å; R85-G88 PolarHBondContact O-N 2.98Å; R85-G88 VanDerWaalsContact O-N 3.09Å; R85-E89 IonicContact CZ-OE2 3.76Å; R85-E89 IonicContact NH1-OE2 2.85Å; R85-E89 PolarHBondContact NH1-OE2 3.3Å; R85-E89 IonicContact NH2-OE2 3.81Å; R85-E89 PolarHBondContact O-N 3.43Å
86R97Very high95.9Very high78 Ų7863.6 Ų63.629%0.29432%0.323SS..Hα-helixtrans-62.6-36.5177.5-69.5-176-177.4-155.93.4112.5F52 N62 E82 E89 R90F52-R86 HydrophobicContact CZ-CB 3.86Å; N62-R86 PolarHBondContact OD1-NH1 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.37Å; E82-R86 PolarHBondContact O-N 3.34Å; E82-R86 WeakPolarHBondContact OE1-CG 3.46Å; E82-R86 IonicContact OE1-CZ 3.4Å; E82-R86 IonicContact OE1-NE 2.84Å; E82-R86 PolarHBondContact OE1-NE 3.28Å; E82-R86 IonicContact OE1-NH2 2.71Å; R86-E89 PolarHBondContact O-N 3Å; R86-R90 WeakPolarHBondContact O-CB 3.16Å; R86-R90 PolarHBondContact O-N 2.92Å
87W96.8Very high95.9Very high6 Ų662.9 Ų62.92%0.02332%0.322CS..Hα-helixtrans-65.2-42.5172.7177.5-123.1000111.9W33 I47 L49 F52 V83 A84 R85 R90 K91 L101W33-W87 HydrophobicContact CH2-CZ2 4.28Å; I47-W87 HydrophobicContact CG2-CH2 4.47Å; I47-W87 HydrophobicContact CG2-CZ3 3.95Å; I47-W87 WeakPolarHBondContact O-CH2 3.43Å; L49-W87 HydrophobicContact CB-CH2 4.15Å; L49-W87 HydrophobicContact CB-CZ2 3.97Å; L49-W87 HydrophobicContact CD1-CD2 3.88Å; L49-W87 HydrophobicContact CD1-CE3 4.23Å; L49-W87 HydrophobicContact CD1-CG 4.14Å; L49-W87 HydrophobicContact CD1-CZ2 4.39Å; F52-W87 HydrophobicContact CB-CE3 3.8Å; F52-W87 HydrophobicContact CB-CZ3 3.54Å; F52-W87 HydrophobicContact CD1-CB 4.3Å; F52-W87 HydrophobicContact CD1-CD2 4.19Å; F52-W87 AromaticContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CE3 3.44Å; F52-W87 VanDerWaalsContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CZ3 4.1Å; F52-W87 HydrophobicContact CD2-CE3 4.01Å; F52-W87 HydrophobicContact CD2-CZ3 4.34Å; F52-W87 HydrophobicContact CE1-CB 3.72Å; F52-W87 HydrophobicContact CE1-CD2 4.47Å; F52-W87 AromaticContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CG 4.44Å; F52-W87 HydrophobicContact CE2-CE3 4.45Å; F52-W87 AromaticContact CG-CE3 3.46Å; F52-W87 HydrophobicContact CG-CE3 3.46Å; F52-W87 VanDerWaalsContact CG-CE3 3.46Å; F52-W87 AromaticContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CZ-CB 4.17Å; F52-W87 HydrophobicContact CZ-CE3 4.41Å; V83-W87 WeakPolarHBondContact O-CB 3.46Å; V83-W87 PolarHBondContact O-N 2.78Å; A84-W87 PolarHBondContact O-N 2.95Å; R85-W87 VanDerWaalsContact C-N 3.3Å; R85-W87 PolarHBondContact O-N 2.86Å; W87-R90 HydrophobicContact CE3-CB 4.45Å; W87-R90 HydrophobicContact CZ3-CG 4.43Å; W87-R90 PolarHBondContact O-N 3.4Å; W87-K91 HydrophobicContact CD2-CG 4.21Å; W87-K91 HydrophobicContact CE3-CG 4.24Å; W87-K91 HydrophobicContact CH2-CD 4.09Å; W87-K91 HydrophobicContact CH2-CG 3.64Å; W87-K91 HydrophobicContact CZ2-CD 4.29Å; W87-K91 HydrophobicContact CZ2-CG 3.57Å; W87-K91 HydrophobicContact CZ3-CG 3.98Å; W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 PolarHBondContact O-N 3.2Å; W87-L101 HydrophobicContact CB-CD1 3.96Å; W87-L101 HydrophobicContact CG-CD1 4.13Å
88G95.9Very high95.9Very high4 Ų464.5 Ų64.54%0.04133%0.329CS..Hα-helixtrans-56.9-48.2172.700000111.8A84 R85 K91 S92 K93 M96A84-G88 PolarHBondContact O-N 2.95Å; R85-G88 CarbonylContact O-C 3.59Å; R85-G88 WeakPolarHBondContact O-CA 3.45Å; R85-G88 PolarHBondContact O-N 2.98Å; R85-G88 VanDerWaalsContact O-N 3.09Å; G88-K91 CarbonylContact O-C 3.5Å; G88-K91 PolarHBondContact O-N 3.42Å; G88-S92 CarbonylContact O-C 3.52Å; G88-S92 WeakPolarHBondContact O-CA 3.36Å; G88-S92 PolarHBondContact O-N 3.37Å; G88-K93 WeakPolarHBondContact CA-O 3.5Å; G88-K93 PolarHBondContact O-N 3.03Å; G88-M96 VanDerWaalsContact CA-CB 3.48Å
89E95.3Very high95.9Very high127 Ų12766.1 Ų66.159%0.59333%0.334SS*.Hα-helixtrans-59.1-49.8175.8-175.3171.6-169.200111.8R85 R86 K91 S92R85-E89 IonicContact CZ-OE2 3.76Å; R85-E89 IonicContact NH1-OE2 2.85Å; R85-E89 PolarHBondContact NH1-OE2 3.3Å; R85-E89 IonicContact NH2-OE2 3.81Å; R85-E89 PolarHBondContact O-N 3.43Å; R86-E89 PolarHBondContact O-N 3Å; E89-K91 PolarHBondContact O-N 2.96Å; E89-S92 PolarHBondContact O-N 3.42Å; E89-S92 VanDerWaalsContact O-N 3.16Å
90R93.8Very high95.8Very high61 Ų6168.3 Ų68.323%0.2334%0.34CS..Hα-helixtrans-59.2-32.6178.3-179.46370.896.52.1113.3I47 F52 E55 R86 W87I47-R90 HydrophobicContact CG2-CG 3.46Å; I47-R90 VanDerWaalsContact CG2-CG 3.46Å; F52-R90 HydrophobicContact CD2-CB 4.37Å; F52-R90 HydrophobicContact CD2-CG 4.11Å; F52-R90 HydrophobicContact CE2-CB 4.15Å; F52-R90 HydrophobicContact CE2-CG 4.37Å; E55-R90 IonicContact OE1-CZ 2.78Å; E55-R90 IonicContact OE1-NH1 3.58Å; E55-R90 PolarHBondContact OE1-NH1 2.9Å; E55-R90 IonicContact OE1-NH2 3.68Å; E55-R90 PolarHBondContact OE1-NH2 3.45Å; E55-R90 IonicContact OE2-CZ 3.54Å; E55-R90 IonicContact OE2-NH1 3.52Å; E55-R90 PolarHBondContact OE2-NH1 2.98Å; E55-R90 IonicContact OE2-NH2 3.6Å; R86-R90 WeakPolarHBondContact O-CB 3.16Å; R86-R90 PolarHBondContact O-N 2.92Å; W87-R90 HydrophobicContact CE3-CB 4.45Å; W87-R90 HydrophobicContact CZ3-CG 4.43Å; W87-R90 PolarHBondContact O-N 3.4Å
91K91.2Very high95.8Very high71 Ų7167.7 Ų67.731%0.30934%0.336SS..Hα-helixtrans-100.81.8-179-81.1-58.8-40.5-176.90114.2G45 W87 G88 E89 K93G45-K91 WeakPolarHBondContact O-CD 3.4Å; G45-K91 WeakPolarHBondContact O-CE 3.4Å; G45-K91 PolarHBondContact O-NZ 3.34Å; W87-K91 HydrophobicContact CD2-CG 4.21Å; W87-K91 HydrophobicContact CE3-CG 4.24Å; W87-K91 HydrophobicContact CH2-CD 4.09Å; W87-K91 HydrophobicContact CH2-CG 3.64Å; W87-K91 HydrophobicContact CZ2-CD 4.29Å; W87-K91 HydrophobicContact CZ2-CG 3.57Å; W87-K91 HydrophobicContact CZ3-CG 3.98Å; W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 PolarHBondContact O-N 3.2Å; G88-K91 CarbonylContact O-C 3.5Å; G88-K91 PolarHBondContact O-N 3.42Å; E89-K91 PolarHBondContact O-N 2.96Å; K91-K93 VanDerWaalsContact C-N 3.29Å; K91-K93 HydrophobicContact CB-CD 4.09Å; K91-K93 HydrophobicContact CB-CG 4.06Å; K91-K93 PolarHBondContact O-N 3.09Å
92S91.6Very high95.8Very high108 Ų10862.7 Ų62.776%0.75531%0.309SS*.THydrogen-bonded Turntrans51.742.8-170.8-520000113.7G88 E89 P94G88-S92 CarbonylContact O-C 3.52Å; G88-S92 WeakPolarHBondContact O-CA 3.36Å; G88-S92 PolarHBondContact O-N 3.37Å; E89-S92 PolarHBondContact O-N 3.42Å; E89-S92 VanDerWaalsContact O-N 3.16Å; S92-P94 WeakPolarHBondContact O-CD 3.4Å
93K92Very high95.8Very high102 Ų10266.1 Ų66.144%0.44332%0.32SS..  trans-11391.2178.5-64.8-177.573.5171.90109.6G88 K91 N95 M96G88-K93 WeakPolarHBondContact CA-O 3.5Å; G88-K93 PolarHBondContact O-N 3.03Å; K91-K93 VanDerWaalsContact C-N 3.29Å; K91-K93 HydrophobicContact CB-CD 4.09Å; K91-K93 HydrophobicContact CB-CG 4.06Å; K91-K93 PolarHBondContact O-N 3.09Å; K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 3.23Å; K93-M96 HydrophobicContact CB-CB 4.44Å; K93-M96 HydrophobicContact CB-CE 3.99Å; K93-M96 HydrophobicContact CD-CE 3.7Å; K93-M96 HydrophobicContact CG-CE 4.43Å; K93-M96 VanDerWaalsContact O-CB 3.28Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.29Å
94P89.3Confident95.6Very high121 Ų12166.7 Ų66.779%0.78633%0.326SS*.THydrogen-bonded Turntrans-65.8-28.2-172.525.2-34.5000113.4S92 M96S92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-M96 PolarHBondContact O-N 3.09Å
95N94.5Very high95.5Very high128 Ų12866.7 Ų66.768%0.68433%0.326SS*.THydrogen-bonded Turntrans-91.629.7178.4-60.1-25.9000112.4K93 K100K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 3.23Å; N95-K100 WeakPolarHBondContact O-CD 3.33Å; N95-K100 PolarHBondContact O-NZ 3.37Å
96M97.6Very high95.5Very high24 Ų2466.6 Ų66.612%0.11833%0.325CS..  trans-78.2137.4175.4-171.860.568.800110.2A84 G88 K93 P94 K100A84-M96 HydrophobicContact CB-CG 4.46Å; A84-M96 WeakPolarHBondContact O-CG 3.43Å; G88-M96 VanDerWaalsContact CA-CB 3.48Å; K93-M96 HydrophobicContact CB-CB 4.44Å; K93-M96 HydrophobicContact CB-CE 3.99Å; K93-M96 HydrophobicContact CD-CE 3.7Å; K93-M96 HydrophobicContact CG-CE 4.43Å; K93-M96 VanDerWaalsContact O-CB 3.28Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.29Å; P94-M96 PolarHBondContact O-N 3.09Å; M96-K100 HydrophobicContact SD-CB 3.99Å
97N98.1Very high95.4Very high57 Ų5767.7 Ų67.731%0.30533%0.33SS..  trans-146.9173.6177.366.111.5000110.2D99 K100 L101N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact O-N 2.98Å; N97-D99 PolarHBondContact OD1-N 3.38Å; N97-K100 PolarHBondContact O-N 3.33Å; N97-K100 WeakPolarHBondContact OD1-CB 3.09Å; N97-K100 VanDerWaalsContact OD1-CG 3.26Å; N97-K100 WeakPolarHBondContact OD1-CG 3.14Å; N97-K100 PolarHBondContact OD1-N 3.14Å; N97-L101 WeakPolarHBondContact O-CB 3.48Å; N97-L101 PolarHBondContact O-N 3.39Å
98Y98Very high95.3Very high36 Ų3668.1 Ų68.114%0.14133%0.332CS..Hα-helixtrans-63.4-36.5-178.5177-103000112.9L77 P80 K100 L101 S102 Y122 Y124L77-Y98 HydrophobicContact CD1-CD2 4.43Å; L77-Y98 HydrophobicContact CD1-CE2 3.77Å; P80-Y98 HydrophobicContact CB-CD2 3.46Å; P80-Y98 VanDerWaalsContact CB-CD2 3.46Å; P80-Y98 HydrophobicContact CB-CE2 3.94Å; P80-Y98 HydrophobicContact CB-CG 3.83Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.09Å; Y98-L101 PolarHBondContact O-N 3.48Å; Y98-S102 WeakPolarHBondContact O-CB 3.3Å; Y98-S102 PolarHBondContact O-N 2.84Å; Y98-S102 PolarHBondContact O-OG 3.38Å; Y98-S102 VanDerWaalsContact O-OG 3.11Å; Y98-Y122 HydrophobicContact CD1-CE1 4.17Å; Y98-Y122 AromaticContact CE1-CD1 3.84Å; Y98-Y122 HydrophobicContact CE1-CD1 3.84Å; Y98-Y122 AromaticContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE2-CD1 4.07Å; Y98-Y122 HydrophobicContact CE2-CE1 4.5Å; Y98-Y122 AromaticContact CZ-CD1 3.49Å; Y98-Y122 VanDerWaalsContact CZ-CD1 3.49Å; Y98-Y122 AromaticContact CZ-CE1 3.74Å; Y98-Y122 WeakPolarHBondContact OH-CD1 3.49Å; Y98-Y124 PolarHBondContact OH-OH 3.05Å
99D97.5Very high95.3Very high115 Ų11571 Ų7162%0.61534%0.342SS*.Hα-helixtrans-57.2-45.6177.2-66.8-72.6000112.2N97 S102 R103N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact O-N 2.98Å; N97-D99 PolarHBondContact OD1-N 3.38Å; D99-S102 PolarHBondContact O-OG 3.24Å; D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.09Å
100K96.5Very high95.1Very high115 Ų11571.9 Ų71.950%0.535%0.351SS..Hα-helixtrans-69.8-42.4178.2-68.4170.3-170.4175.20111.9N95 M96 N97 Y98 R103 A104N95-K100 WeakPolarHBondContact O-CD 3.33Å; N95-K100 PolarHBondContact O-NZ 3.37Å; M96-K100 HydrophobicContact SD-CB 3.99Å; N97-K100 PolarHBondContact O-N 3.33Å; N97-K100 WeakPolarHBondContact OD1-CB 3.09Å; N97-K100 VanDerWaalsContact OD1-CG 3.26Å; N97-K100 WeakPolarHBondContact OD1-CG 3.14Å; N97-K100 PolarHBondContact OD1-N 3.14Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.09Å; K100-R103 WeakPolarHBondContact O-CB 3.38Å; K100-R103 PolarHBondContact O-N 3.09Å; K100-A104 PolarHBondContact O-N 3.39Å
101L97.7Very high94.9Very high1 Ų175 Ų751%0.00537%0.366CS..Hα-helixtrans-63.6-46.8177.1-175.5153.1000110.8L49 V83 A84 W87 N97 Y98 R103 A104 L105L49-L101 HydrophobicContact CD1-CD1 4.06Å; L49-L101 HydrophobicContact CD1-CG 4.08Å; L49-L101 HydrophobicContact CD2-CD2 4.35Å; L49-L101 HydrophobicContact CD2-CG 4.09Å; V83-L101 HydrophobicContact CG1-CD1 4.15Å; A84-L101 HydrophobicContact CB-CD1 4.21Å; W87-L101 HydrophobicContact CB-CD1 3.96Å; W87-L101 HydrophobicContact CG-CD1 4.13Å; N97-L101 WeakPolarHBondContact O-CB 3.48Å; N97-L101 PolarHBondContact O-N 3.39Å; Y98-L101 PolarHBondContact O-N 3.48Å; L101-R103 PolarHBondContact O-N 3.04Å; L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.92Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CD2-CG 3.88Å; L101-L105 PolarHBondContact O-N 3.23Å
102S97.4Very high95Very high1 Ų176.1 Ų76.11%0.00738%0.375CS..Hα-helixtrans-62.1-29.1178.276.20000111.8Y98 D99 A104 L105 R106Y98-S102 WeakPolarHBondContact O-CB 3.3Å; Y98-S102 PolarHBondContact O-N 2.84Å; Y98-S102 PolarHBondContact O-OG 3.38Å; Y98-S102 VanDerWaalsContact O-OG 3.11Å; D99-S102 PolarHBondContact O-OG 3.24Å; S102-A104 VanDerWaalsContact C-N 3.34Å; S102-L105 PolarHBondContact O-N 3.05Å; S102-R106 WeakPolarHBondContact O-CG 3.41Å; S102-R106 PolarHBondContact O-N 3.31Å; S102-R106 VanDerWaalsContact O-N 3.09Å; S102-R106 PolarHBondContact O-NH1 3.38Å; S102-R106 VanDerWaalsContact O-NH1 3.09Å; S102-R106 PolarHBondContact OG-NH1 3.44Å
103R97.1Very high95.1Very high116 Ų11671.2 Ų71.244%0.43834%0.34SS..Hα-helixtrans-63.6-40.3172.4-171.566.1-171.293.4-12.1111.8D99 K100 L101 R106 Y107D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.09Å; K100-R103 WeakPolarHBondContact O-CB 3.38Å; K100-R103 PolarHBondContact O-N 3.09Å; L101-R103 PolarHBondContact O-N 3.04Å; R103-R106 PolarHBondContact O-N 3.38Å; R103-Y107 HydrophobicContact CG-CE2 3.99Å; R103-Y107 VanDerWaalsContact NH1-CE2 3.34Å; R103-Y107 PolarHBondContact NH2-OH 3.36Å; R103-Y107 VanDerWaalsContact NH2-OH 3.13Å; R103-Y107 WeakPolarHBondContact O-CD2 3.5Å
104A94.3Very high95.3Very high13 Ų1366.4 Ų66.411%0.10732%0.32CS..Hα-helixtrans-66.1-41.6174.400000112.2L49 K100 L101 S102 R106 Y107L49-A104 HydrophobicContact CD2-CB 3.57Å; K100-A104 PolarHBondContact O-N 3.39Å; L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.92Å; S102-A104 VanDerWaalsContact C-N 3.34Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.35Å; A104-Y107 WeakPolarHBondContact O-CB 3.26Å; A104-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 VanDerWaalsContact O-N 3.14Å
105L96.9Very high95.7Very high0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-60.2-39.2176-62178.3000112.7L49 L53 L101 S102 Y107 Y108 Y109 M114 Y124L49-L105 HydrophobicContact CD2-CD2 3.59Å; L49-L105 HydrophobicContact CD2-CG 4.04Å; L49-L105 HydrophobicContact CG-CD2 4.13Å; L53-L105 HydrophobicContact CD1-CD2 3.61Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CD2-CG 3.88Å; L101-L105 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 3.05Å; L105-Y107 VanDerWaalsContact C-N 3.26Å; L105-Y107 PolarHBondContact O-N 2.94Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; L105-Y108 WeakPolarHBondContact O-CB 3.49Å; L105-Y108 PolarHBondContact O-N 3.05Å; L105-Y109 WeakPolarHBondContact O-CE1 3.34Å; L105-M114 HydrophobicContact CB-SD 4.36Å; L105-M114 HydrophobicContact CD2-CE 4.04Å; L105-M114 HydrophobicContact CD2-SD 3.57Å; L105-M114 VanDerWaalsContact CD2-SD 3.57Å; L105-Y124 HydrophobicContact CB-CE1 4.13Å; L105-Y124 HydrophobicContact CD1-CD1 4.37Å; L105-Y124 HydrophobicContact CD1-CD2 4.39Å; L105-Y124 HydrophobicContact CD1-CE1 3.81Å; L105-Y124 HydrophobicContact CD1-CE2 3.87Å
106R96.5Very high95.8Very high115 Ų11560.9 Ų60.943%0.43428%0.282SS..Hα-helixtrans-62.3-32.4177.2-70.7179.8-169.492-11.1112.8S102 R103 A104 Y108 Y109S102-R106 WeakPolarHBondContact O-CG 3.41Å; S102-R106 PolarHBondContact O-N 3.31Å; S102-R106 VanDerWaalsContact O-N 3.09Å; S102-R106 PolarHBondContact O-NH1 3.38Å; S102-R106 VanDerWaalsContact O-NH1 3.09Å; S102-R106 PolarHBondContact OG-NH1 3.44Å; R103-R106 PolarHBondContact O-N 3.38Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.35Å; R106-Y108 PolarHBondContact O-N 3.16Å; R106-Y109 HydrophobicContact CB-CD2 4.44Å; R106-Y109 HydrophobicContact CB-CE2 4.08Å; R106-Y109 HydrophobicContact CG-CE2 3.81Å; R106-Y109 PolarHBondContact O-N 2.92Å
107Y95.2Very high95.7Very high100 Ų10060.8 Ų60.839%0.39228%0.283SS..THydrogen-bonded Turntrans-68.9-13.2176.1-68-60.6000113.5R103 A104 L105 K111R103-Y107 HydrophobicContact CG-CE2 3.99Å; R103-Y107 VanDerWaalsContact NH1-CE2 3.34Å; R103-Y107 PolarHBondContact NH2-OH 3.36Å; R103-Y107 VanDerWaalsContact NH2-OH 3.13Å; R103-Y107 WeakPolarHBondContact O-CD2 3.5Å; A104-Y107 WeakPolarHBondContact O-CB 3.26Å; A104-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 VanDerWaalsContact O-N 3.14Å; L105-Y107 VanDerWaalsContact C-N 3.26Å; L105-Y107 PolarHBondContact O-N 2.94Å; Y107-K111 WeakPolarHBondContact O-CG 3.17Å
108Y95.7Very high95.6Very high16 Ų1665.6 Ų65.66%0.06330%0.303CS..THydrogen-bonded Turntrans-85.5-10.6177.4-67.1-41.7000114.2L49 W50 L105 R106 K111 N112 I113 M114L49-Y108 HydrophobicContact CB-CE2 4.11Å; L49-Y108 HydrophobicContact CD2-CE2 4.29Å; L49-Y108 HydrophobicContact CG-CE2 4.36Å; W50-Y108 HydrophobicContact CB-CE2 4.03Å; W50-Y108 AromaticContact CD1-CZ 3.81Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; L105-Y108 WeakPolarHBondContact O-CB 3.49Å; L105-Y108 PolarHBondContact O-N 3.05Å; R106-Y108 PolarHBondContact O-N 3.16Å; Y108-K111 HydrophobicContact CD1-CD 4.44Å; Y108-K111 PolarHBondContact O-N 2.84Å; Y108-N112 PolarHBondContact O-N 3.35Å; Y108-I113 HydrophobicContact CD1-CB 4.29Å; Y108-I113 HydrophobicContact CD1-CD1 3.76Å; Y108-I113 HydrophobicContact CD1-CG2 4.41Å; Y108-I113 HydrophobicContact CE1-CD1 4.09Å; Y108-I113 HydrophobicContact CG-CB 4.34Å; Y108-I113 HydrophobicContact CG-CG2 4.35Å; Y108-I113 PolarHBondContact O-N 3.33Å; Y108-M114 CarbonylContact C-O 3.58Å; Y108-M114 HydrophobicContact CD2-CE 3.64Å; Y108-M114 HydrophobicContact CD2-CG 4.24Å; Y108-M114 HydrophobicContact CD2-SD 3.9Å; Y108-M114 HydrophobicContact CE2-CE 4.19Å; Y108-M114 HydrophobicContact CG-CE 4.43Å; Y108-M114 HydrophobicContact CG-CG 4.33Å
109Y94.9Very high95.4Very high65 Ų6568.2 Ų68.226%0.25534%0.341SS..THydrogen-bonded Turntrans-63.8-51.8-179.8-59-12.7000110.9L105 R106 K111 N112 M114 K116 Y124L105-Y109 WeakPolarHBondContact O-CE1 3.34Å; R106-Y109 HydrophobicContact CB-CD2 4.44Å; R106-Y109 HydrophobicContact CB-CE2 4.08Å; R106-Y109 HydrophobicContact CG-CE2 3.81Å; R106-Y109 PolarHBondContact O-N 2.92Å; Y109-K111 PolarHBondContact O-N 3.3Å; Y109-N112 PolarHBondContact O-N 2.71Å; Y109-M114 WeakPolarHBondContact CA-O 3.15Å; Y109-M114 WeakPolarHBondContact CD1-O 3.28Å; Y109-K116 HydrophobicContact CE1-CB 4.29Å; Y109-K116 HydrophobicContact CE2-CB 4.32Å; Y109-K116 WeakPolarHBondContact OH-CB 3.49Å; Y109-Y124 HydrophobicContact CE1-CD1 4.48Å; Y109-Y124 WeakPolarHBondContact OH-CE1 3.48Å
110D91.3Very high95.3Very high145 Ų14566.7 Ų66.778%0.77533%0.329SS*.THydrogen-bonded Turntrans-73-16.1-179.4-52.9-26.2000112.6N112D110-N112 VanDerWaalsContact C-N 3.31Å
111K89.7Confident95.2Very high125 Ų12569.7 Ų69.754%0.54334%0.337SS..THydrogen-bonded Turntrans-89.41.9177.7-62.8-172.867.7173.50113Y107 Y108 Y109 I113Y107-K111 WeakPolarHBondContact O-CG 3.17Å; Y108-K111 HydrophobicContact CD1-CD 4.44Å; Y108-K111 PolarHBondContact O-N 2.84Å; Y109-K111 PolarHBondContact O-N 3.3Å; K111-I113 HydrophobicContact CB-CD1 3.97Å; K111-I113 HydrophobicContact CB-CG1 4.12Å; K111-I113 HydrophobicContact CD-CD1 4.46Å; K111-I113 PolarHBondContact O-N 2.94Å
112N93.4Very high95.2Very high96 Ų9673 Ų7351%0.51335%0.35SS..THydrogen-bonded Turntrans5327.3-176-57.894.2000113.4Y108 Y109 D110 D127 G130Y108-N112 PolarHBondContact O-N 3.35Å; Y109-N112 PolarHBondContact O-N 2.71Å; D110-N112 VanDerWaalsContact C-N 3.31Å; N112-D127 VanDerWaalsContact O-CB 3.3Å; N112-D127 WeakPolarHBondContact O-CB 3.49Å; N112-G130 CarbonylContact O-C 3.2Å; N112-G130 WeakPolarHBondContact O-CA 3.46Å; N112-G130 PolarHBondContact O-N 3.4Å
113I94.1Very high95.2Very high4 Ų473 Ų732%0.02135%0.35CS..SBendtrans-87.3-39.4177.7-68.6169.4000109.5W50 Y108 K111 D127 L131 A134W50-I113 HydrophobicContact CB-CG2 3.94Å; W50-I113 HydrophobicContact CG-CG2 4.13Å; Y108-I113 HydrophobicContact CD1-CB 4.29Å; Y108-I113 HydrophobicContact CD1-CD1 3.76Å; Y108-I113 HydrophobicContact CD1-CG2 4.41Å; Y108-I113 HydrophobicContact CE1-CD1 4.09Å; Y108-I113 HydrophobicContact CG-CB 4.34Å; Y108-I113 HydrophobicContact CG-CG2 4.35Å; Y108-I113 PolarHBondContact O-N 3.33Å; K111-I113 HydrophobicContact CB-CD1 3.97Å; K111-I113 HydrophobicContact CB-CG1 4.12Å; K111-I113 HydrophobicContact CD-CD1 4.46Å; K111-I113 PolarHBondContact O-N 2.94Å; I113-D127 PolarHBondContact O-N 3.29Å; I113-L131 HydrophobicContact CG2-CD1 4.18Å; I113-A134 HydrophobicContact CD1-CB 3.75Å; I113-A134 HydrophobicContact CG1-CB 3.9Å
114M95.9Very high95.3Very high2 Ų267.8 Ų67.81%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-156.5166.8175.164.2177.869.800110.8W50 L53 L105 Y108 Y109 R125 F126W50-M114 HydrophobicContact CB-CE 4.1Å; L53-M114 HydrophobicContact CD1-CE 4.4Å; L105-M114 HydrophobicContact CB-SD 4.36Å; L105-M114 HydrophobicContact CD2-CE 4.04Å; L105-M114 HydrophobicContact CD2-SD 3.57Å; L105-M114 VanDerWaalsContact CD2-SD 3.57Å; Y108-M114 CarbonylContact C-O 3.58Å; Y108-M114 HydrophobicContact CD2-CE 3.64Å; Y108-M114 HydrophobicContact CD2-CG 4.24Å; Y108-M114 HydrophobicContact CD2-SD 3.9Å; Y108-M114 HydrophobicContact CE2-CE 4.19Å; Y108-M114 HydrophobicContact CG-CE 4.43Å; Y108-M114 HydrophobicContact CG-CG 4.33Å; Y109-M114 WeakPolarHBondContact CA-O 3.15Å; Y109-M114 WeakPolarHBondContact CD1-O 3.28Å; M114-R125 CarbonylContact C-O 3.58Å; M114-R125 WeakPolarHBondContact CA-O 3.3Å; M114-R125 VanDerWaalsContact CB-O 3.29Å; M114-R125 WeakPolarHBondContact CB-O 3.47Å; M114-F126 HydrophobicContact CB-CD1 4.24Å; M114-F126 HydrophobicContact CE-CD1 4.19Å; M114-F126 HydrophobicContact CE-CE1 3.5Å; M114-F126 VanDerWaalsContact CE-CE1 3.5Å; M114-F126 HydrophobicContact CE-CZ 3.88Å
115S96.7Very high95.4Very high36 Ų3672.8 Ų72.825%0.25235%0.347SS..EExtended strand (participates in β ladder)trans-133.4159.4177.652.60000110.9Y124 R125S115-Y124 CarbonylContact O-C 3.5Å; S115-Y124 VanDerWaalsContact O-CA 3.32Å; S115-Y124 WeakPolarHBondContact O-CA 3.41Å; S115-R125 PolarHBondContact N-O 3.41Å; S115-R125 PolarHBondContact O-N 3.4Å; S115-R125 PolarHBondContact OG-O 2.87Å
116K96.3Very high95.4Very high96 Ų9673 Ų7342%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-79135.8171.8-168.4172.7176.7-178.40109.9Y109 H118Y109-K116 HydrophobicContact CE1-CB 4.29Å; Y109-K116 HydrophobicContact CE2-CB 4.32Å; Y109-K116 WeakPolarHBondContact OH-CB 3.49Å; K116-H118 PolarHBondContact O-CD2 3.36Å; K116-H118 PolarHBondContact O-N 3.08Å
117V96.8Very high95.3Very high23 Ų2370.2 Ų70.214%0.13934%0.341CS..  trans-84.8113.8167.2-179.80000108.2E74 K120 A123 R125E74-V117 HydrophobicContact CG-CG2 3.95Å; V117-K120 HydrophobicContact CG1-CB 4.31Å; V117-K120 HydrophobicContact CG1-CD 4.16Å; V117-K120 HydrophobicContact CG1-CG 4.37Å; V117-A123 HydrophobicContact CB-CB 3.87Å; V117-A123 HydrophobicContact CG1-CB 4.41Å; V117-A123 HydrophobicContact CG2-CB 4.46Å; V117-A123 PolarHBondContact N-O 3.18Å; V117-R125 HydrophobicContact CG2-CB 4Å
118H95.1Very high95.1Very high157 Ų15771.2 Ų71.273%0.72735%0.348SS*.THydrogen-bonded Turntrans-74.8150.3177.2-65.8-91.2000110.5K116 K120K116-H118 PolarHBondContact O-CD2 3.36Å; K116-H118 PolarHBondContact O-N 3.08Å; H118-K120 PolarHBondContact O-N 3.33Å
119G94.6Very high94.8Very high92 Ų9277.1 Ų77.195%0.94838%0.376SS*.THydrogen-bonded Turntrans81.7-12.2-176.800000115.1
120K94.3Very high94.5Very high82 Ų8274.4 Ų74.436%0.35737%0.368SS..SBendtrans-119.1137175.3-67.1-173.9-177.9-173.80111.6E69 E74 V117 H118 A123E69-K120 IonicContact OE1-NZ 2.81Å; E69-K120 PolarHBondContact OE1-NZ 2.75Å; E74-K120 IonicContact OE1-NZ 2.73Å; E74-K120 PolarHBondContact OE1-NZ 3.13Å; V117-K120 HydrophobicContact CG1-CB 4.31Å; V117-K120 HydrophobicContact CG1-CD 4.16Å; V117-K120 HydrophobicContact CG1-CG 4.37Å; H118-K120 PolarHBondContact O-N 3.33Å; K120-A123 HydrophobicContact CB-CB 3.52Å; K120-A123 HydrophobicContact CD-CB 4.2Å
121R96.3Very high94.4Very high179 Ų17968.3 Ų68.368%0.67534%0.335SS*.THydrogen-bonded Turntrans-76.2134.2175.1-68.3-176.365.7-171.60.2109.9A123R121-A123 PolarHBondContact O-N 3.31Å; R121-A123 VanDerWaalsContact O-N 3.13Å
122Y97.6Very high94.4Very high70 Ų7064.6 Ų64.628%0.27533%0.328SS..THydrogen-bonded Turntrans57.724.6175.2-44.5-62.4000115L77 P80 Y98 Y124L77-Y122 PolarHBondContact N-O 3.27Å; P80-Y122 HydrophobicContact CB-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD2 4.28Å; P80-Y122 HydrophobicContact CG-CE1 4.27Å; P80-Y122 HydrophobicContact CG-CE2 4.22Å; P80-Y122 HydrophobicContact CG-CG 4.35Å; Y98-Y122 HydrophobicContact CD1-CE1 4.17Å; Y98-Y122 AromaticContact CE1-CD1 3.84Å; Y98-Y122 HydrophobicContact CE1-CD1 3.84Å; Y98-Y122 AromaticContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE2-CD1 4.07Å; Y98-Y122 HydrophobicContact CE2-CE1 4.5Å; Y98-Y122 AromaticContact CZ-CD1 3.49Å; Y98-Y122 VanDerWaalsContact CZ-CD1 3.49Å; Y98-Y122 AromaticContact CZ-CE1 3.74Å; Y98-Y122 WeakPolarHBondContact OH-CD1 3.49Å; Y122-Y124 WeakPolarHBondContact O-CD2 3.39Å
123A97.3Very high94.1Very high1 Ų166.1 Ų66.11%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-104139.1179.400000111.3F75 V117 K120 R121F75-A123 WeakPolarHBondContact O-CA 3.42Å; V117-A123 HydrophobicContact CB-CB 3.87Å; V117-A123 HydrophobicContact CG1-CB 4.41Å; V117-A123 HydrophobicContact CG2-CB 4.46Å; V117-A123 PolarHBondContact N-O 3.18Å; K120-A123 HydrophobicContact CB-CB 3.52Å; K120-A123 HydrophobicContact CD-CB 4.2Å; R121-A123 PolarHBondContact O-N 3.31Å; R121-A123 VanDerWaalsContact O-N 3.13Å
124Y97.7Very high93.6Very high6 Ų667.3 Ų67.32%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-143.5159.7-175-59.8-91.7000109.4E74 F75 L77 Y98 L105 Y109 S115 Y122E74-Y124 CarbonylContact C-O 3.58Å; E74-Y124 WeakPolarHBondContact CA-O 3.49Å; F75-Y124 WeakPolarHBondContact CD1-O 3.44Å; F75-Y124 HydrophobicContact CE2-CD2 4.24Å; F75-Y124 HydrophobicContact CZ-CD2 4.38Å; F75-Y124 HydrophobicContact CZ-CG 4.22Å; F75-Y124 PolarHBondContact N-O 2.73Å; F75-Y124 PolarHBondContact O-N 2.77Å; L77-Y124 HydrophobicContact CD1-CD2 4.29Å; L77-Y124 HydrophobicContact CD1-CE2 3.73Å; Y98-Y124 PolarHBondContact OH-OH 3.05Å; L105-Y124 HydrophobicContact CB-CE1 4.13Å; L105-Y124 HydrophobicContact CD1-CD1 4.37Å; L105-Y124 HydrophobicContact CD1-CD2 4.39Å; L105-Y124 HydrophobicContact CD1-CE1 3.81Å; L105-Y124 HydrophobicContact CD1-CE2 3.87Å; Y109-Y124 HydrophobicContact CE1-CD1 4.48Å; Y109-Y124 WeakPolarHBondContact OH-CE1 3.48Å; S115-Y124 CarbonylContact O-C 3.5Å; S115-Y124 VanDerWaalsContact O-CA 3.32Å; S115-Y124 WeakPolarHBondContact O-CA 3.41Å; Y122-Y124 WeakPolarHBondContact O-CD2 3.39Å
125R97Very high93Very high119 Ų11970.8 Ų70.845%0.44937%0.366SS..EExtended strand (participates in β ladder)trans-133.8125.1179.1-175.4-179.567.5-1732.2110.2H72 G73 E74 M114 S115 V117H72-R125 WeakPolarHBondContact O-CG 3.48Å; G73-R125 WeakPolarHBondContact O-CA 3.49Å; E74-R125 HydrophobicContact CB-CB 4.41Å; E74-R125 HydrophobicContact CB-CG 4.32Å; M114-R125 CarbonylContact C-O 3.58Å; M114-R125 WeakPolarHBondContact CA-O 3.3Å; M114-R125 VanDerWaalsContact CB-O 3.29Å; M114-R125 WeakPolarHBondContact CB-O 3.47Å; S115-R125 PolarHBondContact N-O 3.41Å; S115-R125 PolarHBondContact O-N 3.4Å; S115-R125 PolarHBondContact OG-O 2.87Å; V117-R125 HydrophobicContact CG2-CB 4Å
126F97Very high92.1Very high3 Ų374.9 Ų74.91%0.01338%0.381CS..EExtended strand (participates in β ladder)trans-67.7140170.4-79.2-75.4000110.6W50 L53 L54 L57 W68 G73 F75 M114 L131W50-F126 HydrophobicContact CB-CE1 4.14Å; L53-F126 HydrophobicContact CB-CZ 4.3Å; L54-F126 HydrophobicContact CD1-CE1 4.5Å; L54-F126 HydrophobicContact CD2-CD2 4Å; L54-F126 HydrophobicContact CD2-CE1 4.48Å; L54-F126 HydrophobicContact CD2-CE2 3.67Å; L54-F126 HydrophobicContact CD2-CZ 3.94Å; L54-F126 HydrophobicContact CG-CE1 4.21Å; L54-F126 HydrophobicContact CG-CE2 4.02Å; L54-F126 HydrophobicContact CG-CZ 3.76Å; L57-F126 HydrophobicContact CD1-CE2 3.99Å; W68-F126 AromaticContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CE2 4.2Å; W68-F126 HydrophobicContact CZ3-CD2 4.01Å; G73-F126 PolarHBondContact O-N 3.16Å; F75-F126 AromaticContact CD1-CD2 3.65Å; F75-F126 HydrophobicContact CD1-CD2 3.65Å; F75-F126 AromaticContact CD1-CE2 3.68Å; F75-F126 HydrophobicContact CD1-CE2 3.68Å; F75-F126 AromaticContact CE1-CD2 3.46Å; F75-F126 HydrophobicContact CE1-CD2 3.46Å; F75-F126 VanDerWaalsContact CE1-CD2 3.46Å; F75-F126 AromaticContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CG 4.32Å; F75-F126 HydrophobicContact CE1-CZ 4.01Å; F75-F126 AromaticContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CZ 4.35Å; M114-F126 HydrophobicContact CB-CD1 4.24Å; M114-F126 HydrophobicContact CE-CD1 4.19Å; M114-F126 HydrophobicContact CE-CE1 3.5Å; M114-F126 VanDerWaalsContact CE-CE1 3.5Å; M114-F126 HydrophobicContact CE-CZ 3.88Å; F126-L131 HydrophobicContact CD1-CD1 4.15Å; F126-L131 HydrophobicContact CD1-CD2 4.34Å; F126-L131 HydrophobicContact CE1-CD1 4.34Å
127D94.9Very high90.4Very high57 Ų5772.3 Ų72.331%0.30537%0.374SS..  trans-101.9108.6169.5177.2-9.6000107.6N112 I113 Q129 G130 L131N112-D127 VanDerWaalsContact O-CB 3.3Å; N112-D127 WeakPolarHBondContact O-CB 3.49Å; I113-D127 PolarHBondContact O-N 3.29Å; D127-Q129 PolarHBondContact O-N 3.21Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.33Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; D127-G130 PolarHBondContact O-N 3.35Å; D127-L131 WeakPolarHBondContact O-CB 3.19Å; D127-L131 PolarHBondContact O-N 2.78Å
128F90.1Very high88.3Confident122 Ų12273.8 Ų73.854%0.53538%0.384SS..Hα-helixtrans-60.5-27.9-175.7-64.9-73000112.7A132F128-A132 VanDerWaalsContact O-CB 3.32Å; F128-A132 WeakPolarHBondContact O-CB 3.47Å; F128-A132 PolarHBondContact O-N 3.45Å
129Q89.6Confident86.1Confident139 Ų13972.4 Ų72.465%0.6539%0.389SS*.Hα-helixtrans-69.2-52.8-179.6-172.66627.400110.9D127 A132 Q133D127-Q129 PolarHBondContact O-N 3.21Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.33Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; Q129-A132 PolarHBondContact O-N 2.83Å; Q129-Q133 PolarHBondContact O-N 2.84Å
130G89.5Confident84.1Confident9 Ų972.7 Ų72.79%0.09338%0.383CS..Hα-helixtrans-77.7-23.917800000113.1N112 D127 Q133 A134N112-G130 CarbonylContact O-C 3.2Å; N112-G130 WeakPolarHBondContact O-CA 3.46Å; N112-G130 PolarHBondContact O-N 3.4Å; D127-G130 PolarHBondContact O-N 3.35Å; G130-Q133 WeakPolarHBondContact O-CB 3.37Å; G130-Q133 PolarHBondContact O-N 3.06Å; G130-A134 PolarHBondContact O-N 3.33Å
131L89.1Confident81.9Confident17 Ų1771.8 Ų71.89%0.08938%0.38CS..Hα-helixtrans-62.3-43.7168.6-172.268.4000111.5W50 L54 I113 F126 D127 Q133 A134 C135W50-L131 HydrophobicContact CD2-CD1 4Å; W50-L131 HydrophobicContact CE3-CD1 3.29Å; W50-L131 HydrophobicContact CH2-CD1 4.34Å; W50-L131 HydrophobicContact CZ3-CD1 3.49Å; W50-L131 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L131 HydrophobicContact CZ3-CG 4.42Å; L54-L131 HydrophobicContact CD1-CD1 4.12Å; L54-L131 HydrophobicContact CD1-CD2 3.96Å; I113-L131 HydrophobicContact CG2-CD1 4.18Å; F126-L131 HydrophobicContact CD1-CD1 4.15Å; F126-L131 HydrophobicContact CD1-CD2 4.34Å; F126-L131 HydrophobicContact CE1-CD1 4.34Å; D127-L131 WeakPolarHBondContact O-CB 3.19Å; D127-L131 PolarHBondContact O-N 2.78Å; L131-Q133 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.41Å; L131-A134 VanDerWaalsContact O-N 3.08Å; L131-C135 PolarHBondContact O-N 2.8Å; L131-C135 PolarHBondContact O-SG 3.25Å; L131-C135 VanDerWaalsContact O-SG 3.33Å
132A88.4Confident79.7Confident46 Ų4666.9 Ų66.938%0.3838%0.377SS..Hα-helixtrans-59.8-36.817600000112.1F128 Q129 Q136F128-A132 VanDerWaalsContact O-CB 3.32Å; F128-A132 WeakPolarHBondContact O-CB 3.47Å; F128-A132 PolarHBondContact O-N 3.45Å; Q129-A132 PolarHBondContact O-N 2.83Å; A132-Q136 WeakPolarHBondContact O-CG 3.39Å; A132-Q136 PolarHBondContact O-NE2 2.63Å
133Q87.1Confident77.4Confident129 Ų12971.8 Ų71.860%0.60340%0.402SS*.Hα-helixtrans-68.6-39.5173-62.7-62.4-5300112.2Q129 G130 L131 C135 Q136Q129-Q133 PolarHBondContact O-N 2.84Å; G130-Q133 WeakPolarHBondContact O-CB 3.37Å; G130-Q133 PolarHBondContact O-N 3.06Å; L131-Q133 PolarHBondContact O-N 3.4Å; Q133-C135 VanDerWaalsContact C-N 3.27Å; Q133-C135 PolarHBondContact O-N 3.02Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.48Å
134A84.6Confident75.2Confident28 Ų2874.6 Ų74.623%0.23143%0.425CS..Hα-helixtrans-69.1-24.3177.200000113.5W50 I113 G130 L131 Q136W50-A134 HydrophobicContact CZ2-CB 4Å; I113-A134 HydrophobicContact CD1-CB 3.75Å; I113-A134 HydrophobicContact CG1-CB 3.9Å; G130-A134 PolarHBondContact O-N 3.33Å; L131-A134 PolarHBondContact O-N 3.41Å; L131-A134 VanDerWaalsContact O-N 3.08Å; A134-Q136 VanDerWaalsContact C-N 3.29Å
135C84Confident73Confident76 Ų7677.1 Ų77.151%0.51445%0.448SS..THydrogen-bonded Turntrans-75.2-16.5170.6-68.80000113W50 L131 Q133W50-C135 WeakPolarHBondContact CH2-SG 3.35Å; L131-C135 PolarHBondContact O-N 2.8Å; L131-C135 PolarHBondContact O-SG 3.25Å; L131-C135 VanDerWaalsContact O-SG 3.33Å; Q133-C135 VanDerWaalsContact C-N 3.27Å; Q133-C135 PolarHBondContact O-N 3.02Å
136Q76.8Confident70.7Confident121 Ų12174 Ų7457%0.56545%0.447SS*.SBendtrans-72.1141177.4-61.1-54.4-57.100110.1A132 Q133 A134A132-Q136 WeakPolarHBondContact O-CG 3.39Å; A132-Q136 PolarHBondContact O-NE2 2.63Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.48Å; A134-Q136 VanDerWaalsContact C-N 3.29Å
137P60.5Low68.6Low43 Ų4376.7 Ų76.728%0.27947%0.47SS..PPolyproline II helixtrans-65.1146.1173.5-0.915.3000109.2P38 H141P38-P137 HydrophobicContact CB-CB 3.61Å; P38-P137 HydrophobicContact CB-CG 4.47Å; P38-P137 HydrophobicContact CG-CB 3.66Å; P137-H141 WeakPolarHBondContact CB-CE1 3.29Å; P137-H141 WeakPolarHBondContact CG-CE1 3.35Å; P137-H141 WeakPolarHBondContact CG-NE2 3.32Å; P137-H141 PolarHBondContact O-CE1 2.85Å
138P52.7Low66.6Low54 Ų5477 Ų7735%0.35148%0.481SS..PPolyproline II helixtrans-51.4145.1173.2-21.529.7000109.8A140 H141P138-A140 PolarHBondContact O-N 2.69Å; P138-H141 PolarHBondContact O-CE1 3.29Å; P138-H141 PolarHBondContact O-ND1 3.36Å
139P49.3Very low64.7Low127 Ų12774.2 Ų74.283%0.82548%0.48SS*.THydrogen-bonded Turntrans-7262.8178.531.3-35.3000111
140A51.5Low62.8Low99 Ų9970.4 Ų70.482%0.81847%0.473SS*.THydrogen-bonded Turntrans-102.72.2158.500000110.8P138P138-A140 PolarHBondContact O-N 2.69Å
141H48.9Very low61Low63 Ų6373 Ų7329%0.29249%0.493SS..  trans-131.426.4-172.376.6-68.8000113.4P137 P138 H143 A144 A145P137-H141 WeakPolarHBondContact CB-CE1 3.29Å; P137-H141 WeakPolarHBondContact CG-CE1 3.35Å; P137-H141 WeakPolarHBondContact CG-NE2 3.32Å; P137-H141 PolarHBondContact O-CE1 2.85Å; P138-H141 PolarHBondContact O-CE1 3.29Å; P138-H141 PolarHBondContact O-ND1 3.36Å; H141-H143 PolarHBondContact O-N 3.35Å; H141-A144 HydrophobicContact CB-CB 4.08Å; H141-A144 PolarHBondContact O-N 3.43Å; H141-A145 PolarHBondContact O-N 3.1Å
142A49.4Very low59.2Low76 Ų7675.2 Ų75.263%0.62851%0.514SS*.Hα-helixtrans-50.3-24.4164.200000111.7A146A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.89Å
143H49.8Very low57.3Low172 Ų17276.2 Ų76.280%0.79652%0.522SS*.Hα-helixtrans-74.4-28.8171.4-80.6-76.7000116H141 A147H141-H143 PolarHBondContact O-N 3.35Å; H143-A147 WeakPolarHBondContact O-CB 3.49Å; H143-A147 PolarHBondContact O-N 2.97Å; H143-A147 VanDerWaalsContact O-N 3.09Å
144A52.2Low55.3Low60 Ų6073.7 Ų73.750%0.49652%0.523SS..Hα-helixtrans-83.8-38.8-178.300000112.4H141 A147 A148H141-A144 HydrophobicContact CB-CB 4.08Å; H141-A144 PolarHBondContact O-N 3.43Å; A144-A147 PolarHBondContact O-N 3.35Å; A144-A148 PolarHBondContact O-N 2.8Å; A144-A148 VanDerWaalsContact O-N 3.1Å
145A51.1Low53.5Low59 Ų5976.4 Ų76.449%0.48855%0.546SS..Hα-helixtrans-70.3-36.2172.800000111.7H141 A147 A148 A149H141-A145 PolarHBondContact O-N 3.1Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A148 PolarHBondContact O-N 3.03Å; A145-A149 WeakPolarHBondContact O-CB 3.21Å; A145-A149 PolarHBondContact O-N 3.36Å
146A49.3Very low51.9Low54 Ų5481 Ų8145%0.44656%0.559SS.*Hα-helixtrans-65.2-34.5170.700000112.6A142 A149 A150A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.89Å; A146-A149 PolarHBondContact O-N 3.46Å; A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.33Å
147A51.3Low50.2Low59 Ų5981.2 Ų81.249%0.48857%0.565SS.*Hα-helixtrans-67.7-37.7173.900000112.5H143 A144 A145 A150 A151H143-A147 WeakPolarHBondContact O-CB 3.49Å; H143-A147 PolarHBondContact O-N 2.97Å; H143-A147 VanDerWaalsContact O-N 3.09Å; A144-A147 PolarHBondContact O-N 3.35Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A147-A150 PolarHBondContact O-N 3.46Å; A147-A151 WeakPolarHBondContact O-CB 3.12Å; A147-A151 PolarHBondContact O-N 3.35Å
148A52.8Low49.7Very low65 Ų6583.3 Ų83.354%0.53759%0.594SS.*Hα-helixtrans-68.3-38.5173.600000112.2A144 A145 A151 A152A144-A148 PolarHBondContact O-N 2.8Å; A144-A148 VanDerWaalsContact O-N 3.1Å; A145-A148 PolarHBondContact O-N 3.03Å; A148-A151 PolarHBondContact O-N 2.98Å; A148-A152 PolarHBondContact O-N 3.37Å
149A51.7Low49.1Very low62 Ų6283.5 Ų83.551%0.51260%0.6SS.*Hα-helixtrans-69-36.3173.400000112.6A145 A146 A152 A153A145-A149 WeakPolarHBondContact O-CB 3.21Å; A145-A149 PolarHBondContact O-N 3.36Å; A146-A149 PolarHBondContact O-N 3.46Å; A149-A152 PolarHBondContact O-N 3.38Å; A149-A153 PolarHBondContact O-N 3.41Å
150A49.9Very low49.1Very low60 Ų6085.3 Ų85.350%0.49660%0.602SS.*Hα-helixtrans-69-35.7173.500000112.3A146 A147 A153 A154A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.33Å; A147-A150 PolarHBondContact O-N 3.46Å; A150-A153 PolarHBondContact O-N 2.79Å; A150-A154 PolarHBondContact O-N 2.99Å
151A50.8Low48.5Very low63 Ų6390.5 Ų90.552%0.52160%0.602SS.*Hα-helixtrans-67.8-34.6172.400000112.2A147 A148 A154 A155A147-A151 WeakPolarHBondContact O-CB 3.12Å; A147-A151 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 2.98Å; A151-A154 PolarHBondContact O-N 3.33Å; A151-A155 PolarHBondContact O-N 3.35Å
152A50.8Low47.9Very low64 Ų6496.8 Ų96.853%0.52963%0.628SS.*Hα-helixtrans-69.2-34.5172.400000112.4A148 A149 A155A148-A152 PolarHBondContact O-N 3.37Å; A149-A152 PolarHBondContact O-N 3.38Å; A152-A155 PolarHBondContact O-N 3.1Å
153A48.4Very low47.6Very low67 Ų67101.2 Ų101.255%0.55464%0.64SS**Hα-helixtrans-68.1-33.2171.300000112.5A149 A150 A155 Q156A149-A153 PolarHBondContact O-N 3.41Å; A150-A153 PolarHBondContact O-N 2.79Å; A153-A155 VanDerWaalsContact C-N 3.27Å; A153-A155 PolarHBondContact O-N 2.89Å; A153-Q156 PolarHBondContact O-N 2.83Å
154A45.4Very low47.1Very low76 Ų7698.5 Ų98.563%0.62864%0.638SS**Hα-helixtrans-71.2-16.7175.900000114.1A150 A151 Q156A150-A154 PolarHBondContact O-N 2.99Å; A151-A154 PolarHBondContact O-N 3.33Å; A154-Q156 VanDerWaalsContact C-N 3.35Å
155A48Very low47Very low84 Ų84100.9 Ų100.969%0.69466%0.658SS**THydrogen-bonded Turntrans-84-6.9176.300000113.7A151 A152 A153A151-A155 PolarHBondContact O-N 3.35Å; A152-A155 PolarHBondContact O-N 3.1Å; A153-A155 VanDerWaalsContact C-N 3.27Å; A153-A155 PolarHBondContact O-N 2.89Å
156Q49.2Very low46.6Very low172 Ų172101.4 Ų101.480%0.80467%0.669SS**SBendtrans-93.3-9.8-179.8-72.3-86.7-62.200114A153 A154A153-Q156 PolarHBondContact O-N 2.83Å; A154-Q156 VanDerWaalsContact C-N 3.35Å
157D42.4Very low46.5Very low127 Ų127107.5 Ų107.568%0.67969%0.693SS**  trans-112.473.2-178.2-155.1-104.5000112.2
158G49.1Very low46.2Very low86 Ų86108.7 Ų108.789%0.88770%0.703SS**  trans-88.837.1162.700000112.2
159A40.4Very low46Very low58 Ų58111.4 Ų111.448%0.47972%0.715SS.*  trans-131.281.1-174.800000111.9Y161A159-Y161 PolarHBondContact O-N 3.09Å; A159-Y161 VanDerWaalsContact O-N 3.1Å
160L49.3Very low45.7Very low166 Ų166115.7 Ų115.787%0.86973%0.728SS**  trans0.297.3137.417976.6000114.6
161Y38.8Very low45.3Very low207 Ų207117.9 Ų117.981%0.81274%0.738SS**  176.1124.4122.351.6-108.7000113.7A159A159-Y161 PolarHBondContact O-N 3.09Å; A159-Y161 VanDerWaalsContact O-N 3.1Å
162K36.9Very low45.1Very low195 Ų195124.5 Ų124.585%0.84876%0.755SS**  trans62.797.7132.4-151.5165-179.2179.10119.1
163L43.1Very low44.5Very low169 Ų169127.6 Ų127.689%0.88577%0.77SS**  trans-59.1144152.1-73.8117.7000110.7
164P38.7Very low44.4Very low116 Ų116127.7 Ų127.775%0.75378%0.777SS**  trans-115.4132.6135.926.8-13.3000110.4G166P164-G166 PolarHBondContact O-N 2.98Å
165A49.5Very low44.6Very low109 Ų109132.5 Ų132.590%0.90179%0.791SS**  trans-51.8128.2160.100000109.6
166G42.9Very low44.3Very low71 Ų71133.4 Ų133.473%0.73279%0.793SS**  trans-161.769.9179.100000109.3P164 A168P164-G166 PolarHBondContact O-N 2.98Å; G166-A168 PolarHBondContact O-N 3.11Å; G166-A168 VanDerWaalsContact O-N 3.11Å
167L46.6Very low43.9Very low182 Ų182134.4 Ų134.495%0.95379%0.794SS**  trans-63.2106.3167.5-74.4167.1000108.3
168A46.5Very low44.4Very low83 Ų83136.6 Ų136.669%0.68681%0.805SS**  trans-98.7113.9160.100000107.9G166 L170G166-A168 PolarHBondContact O-N 3.11Å; G166-A168 VanDerWaalsContact O-N 3.11Å; A168-L170 PolarHBondContact O-N 3.39Å
169P47.2Very low44.1Very low123 Ų123139.7 Ų139.780%0.79980%0.801SS**PPolyproline II helixtrans-77.8116.3171.124.8-18.2000108.3
170L45.3Very low44.4Very low151 Ų151144.9 Ų144.979%0.79182%0.82SS**PPolyproline II helixtrans-83.9137.2167.3-70.3-175.5000110.5A168A168-L170 PolarHBondContact O-N 3.39Å
171P43.1Very low43.8Very low106 Ų106144.7 Ų144.769%0.68882%0.817SS**PPolyproline II helixtrans-88.1125.3-171.234.2-31.6000110.7
172F45Very low43.8Very low203 Ų203139 Ų13989%0.8981%0.813SS**  trans-124.2120.1153.1-75.3-71.4000109.3
173P39.1Very low43.8Very low129 Ų129134.5 Ų134.584%0.83881%0.812SS**  trans-81137.3177.332.5-30000109.7
174G46.7Very low43.6Very low68 Ų68131.9 Ų131.970%0.70181%0.807SS**  trans118.278.2160.700000115.5
175L48.8Very low43.6Very low178 Ų178131.2 Ų131.293%0.93281%0.812SS**  -165.5116.3121-105.1150.6000109
176S42Very low43.2Very low103 Ų103129.7 Ų129.772%0.7281%0.806SS**  trans-73.8154.1-177.4-51.10000111.9
177K41.4Very low43.1Very low193 Ų193133.5 Ų133.584%0.83982%0.815SS**  trans71108.4157.4-76.9169.6167.6165.30116.2
178L52.1Low43.1Very low173 Ų173129 Ų12991%0.90681%0.805SS**  -170.3119.193.8-91.9156.5000109.9
179N42.9Very low43.2Very low150 Ų150131.2 Ų131.280%0.80281%0.812SS**  trans-84.2127.4168.8-165.432.2000107
180L47.6Very low42.9Very low168 Ų168130.2 Ų130.288%0.8881%0.814SS**  trans-151.790.7157.3-147.671.6000112.2
181M36.8Very low42.6Very low161 Ų161126.5 Ų126.579%0.79381%0.812SS**  26.5120129.5-156.772.7-173.700118
182A38.3Very low42.6Very low89 Ų89131.6 Ų131.674%0.73682%0.824SS**  trans-51.4141.1159.600000113.1
183A36Very low42.7Very low100 Ų100127.4 Ų127.483%0.82682%0.82SS**  trans-150.8122.2151.100000110.3
184S39.8Very low43.7Very low113 Ų113129.2 Ų129.279%0.7981%0.811SS**  trans-71.9166.8172.649.80000113.7
185A37.1Very low43.5Very low103 Ų103137.1 Ų137.185%0.85182%0.82SS**  trans86137.7149.600000116.4
186G41Very low43.3Very low76 Ų76133.6 Ų133.678%0.78481%0.808SS**  trans-97.5-179-165.800000114.6
187V41.7Very low43.2Very low151 Ų151132.1 Ų132.192%0.91581%0.808SS**  trans-171.1146.8151.4113.30000109.2
188A45.8Very low43.6Very low89 Ų89129.3 Ų129.374%0.73681%0.81SS**PPolyproline II helixtrans-66.8169.5-173.700000115
189P48.6Very low43.2Very low129 Ų129124.7 Ų124.784%0.83880%0.804SS**PPolyproline II helixtrans-103.5126.1162.333.9-24.7000112.5
190A40.9Very low43.9Very low102 Ų102123.5 Ų123.584%0.84381%0.805SS**PPolyproline II helixtrans-93.9153.9154.300000108.8
191G40.7Very low43.4Very low72 Ų72122.4 Ų122.474%0.74281%0.805SS**  trans-73.9177.7-158.800000117
192F43.2Very low43.3Very low214 Ų214118.7 Ų118.794%0.93980%0.8SS**  trans-162.5124.6134.6-131.4-96.8000109.6
193S45.9Very low43.1Very low115 Ų115121.2 Ų121.280%0.80481%0.806SS**  trans-88.4140.6173-62.10000109.6
194Y60Low42.9Very low167 Ų167120.9 Ų120.966%0.65580%0.803SS**  trans-159106.3154.5178.2-94.2000107.8
195W42.6Very low42.5Very low234 Ų234120 Ų12089%0.88680%0.804SS**  trans-162136.1133.9-57.1102.5000108.1
196P45.4Very low42.2Very low104 Ų104120 Ų12068%0.67580%0.804SS**  trans-88.6141.8-173.834.3-31.2000111.7
197G39.9Very low41.9Very low71 Ų71121.4 Ų121.473%0.73281%0.807SS**  trans-82.5170.5160.500000111.7
198P48.2Very low41.7Very low135 Ų135120.8 Ų120.888%0.87780%0.804SS**  -123.8138.4128.25.415.2000111.3
199G44.5Very low41.3Very low76 Ų76120.8 Ų120.878%0.78480%0.804SS**  trans-85.1-164.9-178.200000115.6
200P58.2Low40.8Very low125 Ų125118.7 Ų118.781%0.81280%0.797SS**  trans-108.2156.8-156.239.5-32000114.1
201T36.6Very low40.7Very low145 Ų145121.8 Ų121.889%0.8980%0.799SS**  trans-160.6152.4158.349.20000106.6
202A34.8Very low40.6Very low83 Ų83128.7 Ų128.769%0.68680%0.804SS**  cis-168.3147.5-18.500000105.3
203T33.8Very low41Very low141 Ų141124.2 Ų124.287%0.86580%0.797SS**  trans37.1132.21484.40000124.1
204A32.3Very low40.9Very low93 Ų93123.7 Ų123.777%0.76979%0.793SS**  trans99.5125.413100000121.8
205A30.4Very low40.4Very low96 Ų96121.8 Ų121.879%0.79380%0.801SS**  trans80.1120.1135.800000122
206A31.5Very low40.2Very low103 Ų103116.3 Ų116.385%0.85180%0.798SS**  trans54.4121.8137.900000120.9
207A34.8Very low40.1Very low104 Ų104119.8 Ų119.886%0.8681%0.81SS**  172.9143.711200000112.7
208T38.5Very low40.9Very low139 Ų139125.1 Ų125.185%0.85382%0.816SS**  trans-53.5143.6172.3-43.20000115.2
209A36.7Very low41.3Very low88 Ų88123.8 Ų123.873%0.72781%0.808SS**  trans164.8106.3139.600000108.5
210A38.7Very low42.1Very low85 Ų85125.9 Ų125.970%0.70281%0.807SS**  52.7111.384.700000114
211L37Very low41.8Very low167 Ų167126.3 Ų126.387%0.87481%0.81SS**  146.8102.5127.8-76.2157.4000111.9
212Y38.6Very low42.5Very low218 Ų218122.8 Ų122.886%0.85580%0.803SS**  trans-63.7147.8154.4-94-92000109.8
213P51.8Low43.7Very low120 Ų120124 Ų12478%0.77980%0.803SS**  trans-125.8125131.91.719.7000112.1
214S45.3Very low44.4Very low104 Ų104127.2 Ų127.273%0.72781%0.806SS**  trans-73146.7161.4-670000110.5
215P48Very low45Very low126 Ų126126.4 Ų126.482%0.81881%0.807SS**  trans-112.9116.8155.512.67.6000111.2
216S39.5Very low45.9Very low119 Ų119127.2 Ų127.283%0.83281%0.813SS**PPolyproline II helixtrans-60.5134.5171-54.40000112.3
217L42.8Very low46.6Very low178 Ų178129 Ų12993%0.93281%0.813SS**PPolyproline II helixtrans-86.2118.6167.3-79.3163.5000110
218Q55.9Low46.9Very low182 Ų182128.2 Ų128.285%0.8581%0.807SS**PPolyproline II helixtrans-101.6130.7172.1-171.8177.1-3700108.8
219P58Low47.1Very low108 Ų108126.5 Ų126.570%0.70181%0.807SS**PPolyproline II helixtrans-85.7154.5175.331.4-31.1000112.6
220P61.4Low47.4Very low120 Ų120127.1 Ų127.178%0.77981%0.812SS**PPolyproline II helixtrans-80.9156-172.732.6-35.2000113.5
221P51.7Low48Very low133 Ų133128.4 Ų128.486%0.86482%0.816SS**PPolyproline II helixtrans-87.7130.2177.934.3-29.7000111
222G50.4Low48.5Very low72 Ų72127.7 Ų127.774%0.74281%0.808SS**  trans-116.9133.3165.300000109.6
223P59.8Low48.9Very low107 Ų107125.1 Ų125.170%0.69581%0.808SS**  trans-86.2170.717634.6-29.3000110.7
224F49.8Very low48.5Very low209 Ų209123.1 Ų123.192%0.91781%0.809SS**  trans106.3109.6170-63.2-75.6000116.9
225G44.2Very low48.6Very low77 Ų77121.2 Ų121.279%0.79481%0.806SS**  115.271.8127.100000116.4V227G225-V227 PolarHBondContact O-N 3.42Å
226A49.3Very low49Very low112 Ų112124.2 Ų124.293%0.92681%0.809SS**  trans-68.4120.4159.400000109.9
227V46.4Very low49.4Very low140 Ų140129.2 Ų129.285%0.84881%0.811SS**  trans-154.7142.1153.7710000111.4G225G225-V227 PolarHBondContact O-N 3.42Å
228A40.5Very low50.2Low89 Ų89132.9 Ų132.974%0.73682%0.823SS**  trans81.982.6163.700000118.5
229A43.1Very low49.9Very low103 Ų103130.4 Ų130.485%0.85182%0.821SS**  trans-81.9108.5142.700000108.5
230A43.6Very low49.4Very low101 Ų101131.6 Ų131.684%0.83583%0.827SS**  trans-104.710216500000107.7
231S51.3Low48.8Very low111 Ų111132.2 Ų132.278%0.77683%0.83SS**  trans-90.1142.4172.4-57.50000110.6
232H47.6Very low48.6Very low153 Ų153132.2 Ų132.271%0.70883%0.828SS**  trans-61.4161.8-177.272.1-21.6000116.5
233L47.7Very low48.5Very low163 Ų163135.9 Ų135.985%0.85383%0.834SS**  trans61.5122.1136.8-77.4158.5000120.8
234G42.7Very low47.7Very low78 Ų78137.9 Ų137.980%0.80484%0.843SS**  trans176.488.7158.600000112
235G48Very low47.6Very low64 Ų64132.8 Ų132.866%0.6684%0.837SS**  trans-69147.617200000112.4
236H56Low47.9Very low189 Ų189137.1 Ų137.188%0.87584%0.841SS**  trans-149.1109.6160.6-120.972.3000108.8
237Y48.1Very low47.7Very low225 Ų225139.2 Ų139.288%0.88283%0.834SS**  trans-110.5111.5160.3-64.6-93.8000105.8
238H58.1Low47.9Very low254 Ų254139.1 Ų139.1100%1.17683%0.832SS**  trans-165.60143.6-134.2-75.6000110.6

Retrieved 238 of 238 residues in 678.6 ms (Link to these results)