A0A096MMV9_PAPAN Loading...

Glial cell line-derived neurotrophic factor

AlphaFold DB , UniProt , Accession A0A096MMV9, Species PAPAN (Papio anubis, Olive baboon), Gene GDNF, Length 228 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.5Very low39.9Very low228 Ų228138.1 Ų138.1100%1.12385%0.853SS**  0128.40-85.9156.7125.200108.3
2Q39.7Very low40Very low170 Ų170134.4 Ų134.479%0.79485%0.846SS**  trans55.2104.2152.5-63.6166.213.400117.5
3S39.5Very low40.4Very low108 Ų108130 Ų13076%0.75584%0.842SS**  59.2114.975.272.30000115.2
4L42.1Very low41.3Very low172 Ų172137.3 Ų137.390%0.90185%0.845SS**  -165.8144.3123.7-97168000110.4
5P49.3Very low42.3Very low114 Ų114139 Ų13974%0.7485%0.846SS**  trans-101163.6-175.738.4-30.3000112.2
6N33.4Very low43Very low163 Ų163141.7 Ų141.787%0.87284%0.843SS**  trans-121.5131.8162.3-146.87.6000110.8
7S41.7Very low44.2Very low95 Ų95144.6 Ų144.666%0.66484%0.843SS**  trans-84.1139.4-168.247.80000112.8
8N36.8Very low45.7Very low176 Ų176144.3 Ų144.394%0.94183%0.834SS**  trans-144.499.9153.3-85.1-34.4000108.7
9G34.9Very low47.4Very low81 Ų81144.5 Ų144.584%0.83582%0.824SS**  trans-101112.6174.800000110.2
10A38.6Very low48.9Very low104 Ų104144 Ų14486%0.8682%0.818SS**  trans-68.5133174.900000111.6A12A10-A12 PolarHBondContact O-N 3.41Å
11A44.6Very low50.3Low108 Ų108147.1 Ų147.189%0.89382%0.817SS**  trans-78.2111.4169.600000109.6
12A41.1Very low52.1Low94 Ų94140.4 Ų140.478%0.77779%0.786SS**  trans-91.8113.616900000109.3A10A10-A12 PolarHBondContact O-N 3.41Å
13G45.2Very low54Low77 Ų77135.8 Ų135.879%0.79477%0.768SS**  trans-59.5137.2169.600000111
14R52.6Low56.2Low232 Ų232133.9 Ų133.988%0.87575%0.752SS**  trans-104.3109.3174.1-77.4-179.2154.3171-5.2108.9F16R14-F16 PolarHBondContact O-N 3.34Å
15D55.8Low58.2Low163 Ų163128.1 Ų128.187%0.87273%0.729SS**  trans-58111.3166.7-73.6-56.7000110.3K17D15-K17 PolarHBondContact O-N 3.4Å; D15-K17 VanDerWaalsContact O-N 3.11Å
16F54.5Low59.9Low182 Ų182126.8 Ų126.880%0.79872%0.719SS**  trans-82.886173.5-117.6-89.4000109.4R14 M18R14-F16 PolarHBondContact O-N 3.34Å; F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.88Å
17K63.2Low62Low192 Ų192121.9 Ų121.984%0.83570%0.697SS**  trans-75.283.6170.6-160.8166.9-176.1164.70108.6D15 K19D15-K17 PolarHBondContact O-N 3.4Å; D15-K17 VanDerWaalsContact O-N 3.11Å; K17-K19 PolarHBondContact O-N 3.35Å
18M70.6Confident63.9Low139 Ų139122 Ų12269%0.68569%0.689SS**  trans-57.4121.8175.2-66.5-173.1-178.100108.9F16F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.88Å
19K79.1Confident65.9Low148 Ų148118.2 Ų118.264%0.64367%0.672SS**  trans-81.5147.3175.1-70.5172178.4169.70107.6K17 W21 D22K17-K19 PolarHBondContact O-N 3.35Å; K19-W21 PolarHBondContact O-N 2.9Å; K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CA 3.42Å; K19-D22 WeakPolarHBondContact O-CB 3.47Å; K19-D22 PolarHBondContact O-N 3.24Å
20L77.4Confident67.7Low134 Ų134119.5 Ų119.570%0.70266%0.66SS**Hα-helixtrans-50.8-31.8177.4-174.763.8000112.5D22 V23 V24L20-D22 VanDerWaalsContact C-N 3.35Å; L20-D22 PolarHBondContact O-N 3.21Å; L20-V23 PolarHBondContact O-N 2.94Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.3Å
21W77.3Confident69.3Low210 Ų210120.3 Ų120.380%0.79565%0.649SS**Hα-helixtrans-66-30.9175.5-61.784.8000113.9K19 A25K19-W21 PolarHBondContact O-N 2.9Å; W21-A25 WeakPolarHBondContact O-CB 3.23Å; W21-A25 PolarHBondContact O-N 3.36Å
22D76.6Confident70.2Confident87 Ų87121.6 Ų121.647%0.46564%0.636SS.*Hα-helixtrans-69.2-40175.5-59-43.2000110.4K19 L20 A25 V26K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CA 3.42Å; K19-D22 WeakPolarHBondContact O-CB 3.47Å; K19-D22 PolarHBondContact O-N 3.24Å; L20-D22 VanDerWaalsContact C-N 3.35Å; L20-D22 PolarHBondContact O-N 3.21Å; D22-A25 PolarHBondContact O-N 3.06Å; D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.37Å; D22-V26 PolarHBondContact O-N 3.38Å
23V80.3Confident71Confident72 Ų72121.1 Ų121.144%0.43662%0.624SS.*Hα-helixtrans-66.6-44.1175.2-177.20000110.7L20 A25 V26 C27L20-V23 PolarHBondContact O-N 2.94Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3Å; V23-V26 PolarHBondContact O-N 3.39Å; V23-C27 PolarHBondContact O-N 2.88Å; V23-C27 PolarHBondContact O-SG 3.45Å; V23-C27 VanDerWaalsContact O-SG 3.33Å
24V85.9Confident71.5Confident68 Ų68121 Ų12141%0.41262%0.616SS.*Hα-helixtrans-62.9-40.1176.9172.30000111.4L20 C27 L28L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.3Å; V24-C27 PolarHBondContact O-N 2.89Å; V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.32Å; V24-L28 WeakPolarHBondContact O-CB 3.45Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.46Å
25A84Confident71.6Confident51 Ų51114.8 Ų114.842%0.42161%0.607SS.*Hα-helixtrans-62.8-44.2175.900000111.7W21 D22 V23 L28 V29W21-A25 WeakPolarHBondContact O-CB 3.23Å; W21-A25 PolarHBondContact O-N 3.36Å; D22-A25 PolarHBondContact O-N 3.06Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3Å; A25-L28 PolarHBondContact O-N 2.8Å; A25-V29 VanDerWaalsContact O-CG2 3.3Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 3.1Å
26V83.3Confident71.5Confident86 Ų86110.6 Ų110.652%0.52160%0.595SS.*Hα-helixtrans-62.4-44.9175.5172.90000111.1D22 V23 L28 V29 L30D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.37Å; D22-V26 PolarHBondContact O-N 3.38Å; V23-V26 PolarHBondContact O-N 3.39Å; V26-L28 PolarHBondContact O-N 3.49Å; V26-V29 PolarHBondContact O-N 3.38Å; V26-L30 HydrophobicContact CG1-CD1 3.99Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 3.41Å
27C77.4Confident71.3Confident61 Ų61110.2 Ų110.241%0.41259%0.594SS.*Hα-helixtrans-62.6-42.6177.2-70.70000112.6V23 V24 V29 L30 L31V23-C27 PolarHBondContact O-N 2.88Å; V23-C27 PolarHBondContact O-SG 3.45Å; V23-C27 VanDerWaalsContact O-SG 3.33Å; V24-C27 PolarHBondContact O-N 2.89Å; C27-V29 VanDerWaalsContact C-N 3.35Å; C27-V29 PolarHBondContact O-N 3.07Å; C27-L30 PolarHBondContact O-N 3.24Å; C27-L31 WeakPolarHBondContact O-CD1 3.36Å; C27-L31 PolarHBondContact O-N 3.07Å
28L82.7Confident70.7Confident96 Ų96106.7 Ų106.750%0.50359%0.59SS.*Hα-helixtrans-65.4-38.5178.7-73.9171.9000111.9V24 A25 V26 L31 H32V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.32Å; V24-L28 WeakPolarHBondContact O-CB 3.45Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.46Å; A25-L28 PolarHBondContact O-N 2.8Å; V26-L28 PolarHBondContact O-N 3.49Å; L28-L31 PolarHBondContact O-N 3.08Å; L28-H32 PolarHBondContact O-N 3.01Å; L28-H32 VanDerWaalsContact O-N 3.12Å; L28-H32 PolarHBondContact O-ND1 3.39Å
29V78.1Confident69.9Low97 Ų97108.1 Ų108.159%0.58860%0.6SS**Hα-helixtrans-65.1-42.6175.2172.10000111.1A25 V26 C27 L31 H32 T33A25-V29 VanDerWaalsContact O-CG2 3.3Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 3.1Å; V26-V29 PolarHBondContact O-N 3.38Å; C27-V29 VanDerWaalsContact C-N 3.35Å; C27-V29 PolarHBondContact O-N 3.07Å; V29-L31 PolarHBondContact O-N 3.25Å; V29-H32 PolarHBondContact O-N 3.18Å; V29-T33 PolarHBondContact O-N 3.33Å
30L73.6Confident68.5Low108 Ų108107 Ų10757%0.56561%0.607SS**Hα-helixtrans-65.4-35.2176.1-70.6170.5000113.1V26 C27 T33V26-L30 HydrophobicContact CG1-CD1 3.99Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 3.41Å; C27-L30 PolarHBondContact O-N 3.24Å; L30-T33 PolarHBondContact O-OG1 3.37Å
31L72.1Confident67Low121 Ų121105.2 Ų105.263%0.63461%0.612SS**Hα-helixtrans-71.9-31.8176.5-94.989.6000113C27 L28 V29 T33 A34C27-L31 WeakPolarHBondContact O-CD1 3.36Å; C27-L31 PolarHBondContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 3.08Å; V29-L31 PolarHBondContact O-N 3.25Å; L31-T33 VanDerWaalsContact C-N 3.35Å; L31-A34 PolarHBondContact O-N 3.26Å
32H62.7Low65.3Low136 Ų13698.9 Ų98.963%0.6361%0.612SS**Hα-helixtrans-73.4-25.6178.8-7969.7000112.9L28 V29 S35L28-H32 PolarHBondContact O-N 3.01Å; L28-H32 VanDerWaalsContact O-N 3.12Å; L28-H32 PolarHBondContact O-ND1 3.39Å; V29-H32 PolarHBondContact O-N 3.18Å; H32-S35 PolarHBondContact O-OG 3.42Å
33T57.8Low63.5Low84 Ų84104.6 Ų104.652%0.51563%0.633SS.*Hα-helixtrans-81.5-20.5176.455.40000113.1V29 L30 L31V29-T33 PolarHBondContact O-N 3.33Å; L30-T33 PolarHBondContact O-OG1 3.37Å; L31-T33 VanDerWaalsContact C-N 3.35Å
34A56.9Low61.6Low75 Ų75112.5 Ų112.562%0.6266%0.655SS**Hα-helixtrans-77.6-18.2177.400000114L31L31-A34 PolarHBondContact O-N 3.26Å
35S54.2Low59.4Low100 Ų100114.8 Ų114.870%0.69967%0.671SS**THydrogen-bonded Turntrans-951.9-175.766.90000115.1H32H32-S35 PolarHBondContact O-OG 3.42Å
36A54.4Low57.6Low75 Ų75118.5 Ų118.562%0.6269%0.691SS**  trans-110.727.5-176.200000114.6
37F50.7Low55.3Low175 Ų175123.8 Ų123.877%0.76871%0.71SS**  trans-106.3110.7170.1-74.1-77.5000111.1
38P50.5Low53.4Low117 Ų117125.4 Ų125.476%0.7673%0.728SS**PPolyproline II helixtrans-73.4131.6169.829.2-29000109.5
39L52.8Low51.5Low169 Ų169126.1 Ų126.189%0.88574%0.738SS**PPolyproline II helixtrans-58.8127.6174.6-68.9165.6000110.3A41L39-A41 PolarHBondContact O-N 2.62Å
40P49.1Very low49.7Very low124 Ų124127.6 Ų127.681%0.80575%0.747SS**PPolyproline II helixtrans-73125.1175.626.4-29.4000110.7G42P40-G42 PolarHBondContact O-N 3.25Å
41A47.6Very low47.9Very low97 Ų97131.5 Ų131.580%0.80276%0.763SS**PPolyproline II helixtrans-61119.8172.100000110.8L39 K43L39-A41 PolarHBondContact O-N 2.62Å; A41-K43 PolarHBondContact O-N 3.37Å
42G40Very low46Very low77 Ų77132.8 Ų132.879%0.79477%0.77SS**PPolyproline II helixtrans-63.6124.8173.600000111.5P40P40-G42 PolarHBondContact O-N 3.25Å
43K38.5Very low44.6Very low207 Ų207137.6 Ų137.690%0.978%0.783SS**PPolyproline II helixtrans-68.5130.1173-70.2173.4177.11750109.8A41A41-K43 PolarHBondContact O-N 3.37Å
44R40.6Very low43.7Very low238 Ų238138.9 Ų138.990%0.89880%0.795SS**PPolyproline II helixtrans-74.6141.1167-64.8-178.9-168.4162.62.8110
45P40.4Very low42.8Very low117 Ų117143.7 Ų143.776%0.7681%0.81SS**PPolyproline II helixtrans-87.3158.7161.811.36.8000111.7
46P45.3Very low41.9Very low129 Ų129142.5 Ų142.584%0.83881%0.813SS**PPolyproline II helixtrans-82.1152.8-16933.6-33.4000113.8
47E36.3Very low40.9Very low197 Ų197150.4 Ų150.492%0.92183%0.827SS**PPolyproline II helixtrans-72.2145173.8-80.8-176.2127.700113.8
48A36.7Very low40.4Very low94 Ų94153.4 Ų153.478%0.77783%0.833SS**  154.1162122.300000111.8
49P44.1Very low39.5Very low111 Ų111159.7 Ų159.772%0.72184%0.842SS**  cis-130.2161.5-42.936-19.7000113.8
50T39.3Very low38.9Very low128 Ų128155.7 Ų155.779%0.78583%0.833SS**  trans24.7131.3151.557.10000121.8
51E35Very low38.8Very low191 Ų191155.2 Ų155.289%0.89383%0.83SS**  -166.4138.5130-95.5-79.3121.300109.7
52D32.2Very low38.2Very low148 Ų148160.7 Ų160.779%0.79184%0.836SS**  trans-63.3146.9179.8-95.3-46.7000113.4
53R34.1Very low38.2Very low237 Ų237161.6 Ų161.689%0.89484%0.836SS**  170.4120.8123.4-93.3170.5119.8104.62.1112.7
54S38.3Very low38.4Very low110 Ų110159.5 Ų159.577%0.76983%0.834SS**  trans-62.1141.4160.4370000112
55L38.8Very low38.3Very low176 Ų176153.9 Ų153.992%0.92183%0.831SS**  trans-173.5123144.7-99.7169.3000109.6
56G34.3Very low38.5Very low75 Ų75153.1 Ų153.177%0.77383%0.828SS**  trans-79.7162.7-178.800000114.3
57R34.9Very low38.2Very low242 Ų242154.7 Ų154.791%0.91383%0.83SS**  trans-161.4124.5146.4-141.9167.9-170.5-163.92.3112.4
58R39.3Very low38.7Very low238 Ų238150.7 Ų150.790%0.89882%0.824SS**  trans-65.5138.7161-65.7-176.4-176.4-143.43.9110.1
59R32.4Very low39.2Very low249 Ų249153.9 Ų153.994%0.9483%0.827SS**  -171.2153.1124.2-114.6174.1-177.8157.70.4112.8
60A40.1Very low39.5Very low84 Ų84156.5 Ų156.569%0.69483%0.832SS**  trans-79.6-179.6-164.600000113.8
61P46.7Very low40Very low115 Ų115155.6 Ų155.675%0.74783%0.829SS**  trans-92156.5-155.637.8-34.8000113.7
62F35.8Very low40.9Very low212 Ų212155.6 Ų155.693%0.9383%0.829SS**  trans-128.8143.2161.2-71.3-74.2000110.7
63A38.3Very low42Very low96 Ų96155 Ų15579%0.79383%0.826SS**  trans-84.9152.9-168.500000113.5
64L43Very low43.1Very low162 Ų162154.3 Ų154.385%0.84882%0.824SS**  trans49115.9141.8-138.479.2000119.6
65S38.3Very low43.9Very low121 Ų121153.2 Ų153.285%0.84681%0.814SS**  trans-146.3118.1142.1-63.80000107.8
66S46.4Very low45Very low100 Ų100151 Ų15170%0.69980%0.804SS**  trans-83.6121.1175.7-172.40000107.8
67D38.8Very low46.2Very low162 Ų162154.9 Ų154.987%0.86680%0.802SS**  trans-136.4112.4162.6-94.8-35000108.9
68S46.5Very low47.5Very low114 Ų114150.3 Ų150.380%0.79779%0.789SS**  trans-84.8109.6177.4-52.90000108.6
69N45.8Very low49Very low160 Ų160144.2 Ų144.286%0.85677%0.774SS**  trans-145.4105.7165.8-141.4-6.3000108.9
70M51.8Low50.9Low167 Ų167138.2 Ų138.282%0.82376%0.761SS**  trans-96.7124.9178.6-168.967.190.100108.8
71P49.6Very low52.8Low109 Ų109137.8 Ų137.871%0.70875%0.749SS**  trans-76.1121.2169.3-10.126.6000110.3D73P71-D73 PolarHBondContact O-N 3Å
72E54.1Low54.4Low191 Ų191137.9 Ų137.989%0.89374%0.741SS**  trans-73.393163.2-77.7-79.5134.300108.5
73D55.7Low56.6Low136 Ų136133 Ų13373%0.72773%0.725SS**  trans-149.197.7166.9-149.40.2000109P71P71-D73 PolarHBondContact O-N 3Å
74Y55.6Low58.6Low222 Ų222135.1 Ų135.187%0.87172%0.716SS**  trans-126.296.6177.5-115.7-83.1000108.7
75P56.9Low60.5Low86 Ų86131 Ų13156%0.55869%0.694SS**  trans-98.4140-178.132.1-25.2000113.7Q77P75-Q77 VanDerWaalsContact C-N 3.34Å; P75-Q77 PolarHBondContact O-N 3.18Å
76D61.2Low62.4Low130 Ų130130.1 Ų130.170%0.69568%0.677SS**SBendtrans57.8-3.1138.6-60.2-17.1000122.3F78D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 3.02Å
77Q58.4Low63.8Low157 Ų157127.2 Ų127.273%0.73466%0.658SS**Hα-helixtrans-79.8-9.3-177.8-163161.675.400114.6P75 V81P75-Q77 VanDerWaalsContact C-N 3.34Å; P75-Q77 PolarHBondContact O-N 3.18Å; Q77-V81 WeakPolarHBondContact O-CG2 3.41Å
78F62.3Low65.7Low146 Ų146122 Ų12264%0.6463%0.633SS**Hα-helixtrans-88-26.1-176.8-80.6-86.3000113.8D76 V81 M82D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 3.02Å; F78-V81 PolarHBondContact O-N 3.5Å; F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.25Å
79D71Confident67.2Low109 Ų109121.4 Ų121.458%0.58362%0.62SS**Hα-helixtrans-68-41.2-178.5-72.3-34.3000111.3V81 M82 D83D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 3.4Å; D79-M82 PolarHBondContact O-N 3.05Å; D79-D83 WeakPolarHBondContact O-CB 3.38Å; D79-D83 PolarHBondContact O-N 3.17Å
80D72.3Confident68.6Low124 Ų124119 Ų11966%0.66360%0.602SS**Hα-helixtrans-61.3-37.9174.8-76.1-29.2000112.5F84D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.12Å
81V80.2Confident69.3Low74 Ų74119.9 Ų119.945%0.44860%0.596SS.*Hα-helixtrans-70.8-42.2178.8177.60000110.3Q77 F78 D79 F84 I85Q77-V81 WeakPolarHBondContact O-CG2 3.41Å; F78-V81 PolarHBondContact O-N 3.5Å; D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 3.4Å; V81-F84 PolarHBondContact O-N 3.35Å; V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.18Å
82M81Confident70Confident118 Ų118121.4 Ų121.458%0.58160%0.597SS**Hα-helixtrans-66.5-37.8177.8-73.8-59.2-161.200112.1F78 D79 I85 Q86F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.25Å; D79-M82 PolarHBondContact O-N 3.05Å; M82-I85 PolarHBondContact O-N 2.9Å; M82-I85 HydrophobicContact SD-CD1 4.28Å; M82-Q86 WeakPolarHBondContact O-CB 3.43Å; M82-Q86 PolarHBondContact O-N 3.03Å
83D81.3Confident70.4Confident110 Ų110121.3 Ų121.359%0.58859%0.594SS**Hα-helixtrans-66.7-39174.9-92.2-6.6000112.3D79 Q86 A87D79-D83 WeakPolarHBondContact O-CB 3.38Å; D79-D83 PolarHBondContact O-N 3.17Å; D83-Q86 PolarHBondContact O-N 3.49Å; D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.37Å
84F80.4Confident70.6Confident139 Ų139124.7 Ų124.761%0.6160%0.596SS**Hα-helixtrans-63.4-44.1173.8-179.1-101000112.3D80 V81 A87 T88D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.12Å; V81-F84 PolarHBondContact O-N 3.35Å; F84-A87 PolarHBondContact O-N 3.35Å; F84-T88 WeakPolarHBondContact O-CB 3.3Å; F84-T88 PolarHBondContact O-N 2.84Å; F84-T88 PolarHBondContact O-OG1 2.78Å
85I83.3Confident69.9Low77 Ų77119.2 Ų119.240%0.39559%0.59SS.*Hα-helixtrans-62.2-46.2176.5-68165.5000109.8V81 M82 A87 T88 I89V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.18Å; M82-I85 PolarHBondContact O-N 2.9Å; M82-I85 HydrophobicContact SD-CD1 4.28Å; I85-A87 PolarHBondContact O-N 3.37Å; I85-T88 PolarHBondContact O-N 3.41Å; I85-I89 HydrophobicContact CG2-CD1 3.86Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 2.89Å
86Q77.6Confident69.8Low102 Ų102120.3 Ų120.348%0.47760%0.597SS.*Hα-helixtrans-67.8-36.5-177.9-151.4-169.865.300112.2M82 D83 T88 K90M82-Q86 WeakPolarHBondContact O-CB 3.43Å; M82-Q86 PolarHBondContact O-N 3.03Å; D83-Q86 PolarHBondContact O-N 3.49Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-K90 WeakPolarHBondContact O-CB 3.31Å; Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 3.31Å
87A76.9Confident69.5Low38 Ų38122.1 Ų122.131%0.31461%0.607SS.*Hα-helixtrans-64.5-37.6174.300000112.3D83 F84 I85 K90 R91D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.37Å; F84-A87 PolarHBondContact O-N 3.35Å; I85-A87 PolarHBondContact O-N 3.37Å; A87-K90 PolarHBondContact O-N 3.12Å; A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.3Å; A87-R91 VanDerWaalsContact O-N 3.1Å
88T78.4Confident68.7Low54 Ų54123.2 Ų123.233%0.33161%0.609SS.*Hα-helixtrans-69.2-42.8179-55.30000111.5F84 I85 Q86 R91 L92F84-T88 WeakPolarHBondContact O-CB 3.3Å; F84-T88 PolarHBondContact O-N 2.84Å; F84-T88 PolarHBondContact O-OG1 2.78Å; I85-T88 PolarHBondContact O-N 3.41Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; T88-R91 PolarHBondContact O-N 3.5Å; T88-L92 HydrophobicContact CG2-CD1 4.39Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.08Å
89I78.6Confident67.6Low101 Ų101124.5 Ų124.552%0.51862%0.618SS.*Hα-helixtrans-65.6-40.4176-64.4168.4000111I85 R91 L92 K93I85-I89 HydrophobicContact CG2-CD1 3.86Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 2.89Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 2.92Å; I89-L92 PolarHBondContact O-N 3.44Å; I89-K93 PolarHBondContact O-N 3.2Å
90K73.4Confident65.8Low110 Ų110128.5 Ų128.548%0.47864%0.635SS.*Hα-helixtrans-64.4-29.7176-78.8174-178.2163.40112.9Q86 A87Q86-K90 WeakPolarHBondContact O-CB 3.31Å; Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 3.31Å; A87-K90 PolarHBondContact O-N 3.12Å
91R66.6Low64.2Low185 Ų185127.6 Ų127.670%0.69865%0.645SS**Hα-helixtrans-75.6-42.1175.1-77.4177.5-179.4140.1-0112.5A87 T88 I89 K93 R94A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.3Å; A87-R91 VanDerWaalsContact O-N 3.1Å; T88-R91 PolarHBondContact O-N 3.5Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 2.92Å; R91-K93 PolarHBondContact O-N 3.43Å; R91-R94 PolarHBondContact O-N 3.42Å
92L65.9Low62.5Low140 Ų140130.2 Ų130.273%0.73366%0.66SS**Hα-helixtrans-62.3-31.8176.6-78.7160.6000112.7T88 I89 R94T88-L92 HydrophobicContact CG2-CD1 4.39Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.08Å; I89-L92 PolarHBondContact O-N 3.44Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.96Å
93K62.2Low60.8Low189 Ų189132.6 Ų132.682%0.82268%0.675SS**THydrogen-bonded Turntrans-79.9-2-178.8-149.1174.6-179-178.90114.4I89 R91I89-K93 PolarHBondContact O-N 3.2Å; R91-K93 PolarHBondContact O-N 3.43Å
94R58.1Low59.1Low207 Ų207132.9 Ų132.978%0.78168%0.683SS**THydrogen-bonded Turntrans-118.114-169.1-92.5-163.3179.5109.5-4.6117.2R91 L92R91-R94 PolarHBondContact O-N 3.42Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.96Å
95S41.5Very low57.2Low107 Ų107136.2 Ų136.275%0.74869%0.691SS**SBendtrans-142.7144.5172.5-142.40000114.4
96P55.4Low55.2Low109 Ų109142.9 Ų142.971%0.70871%0.711SS**  trans-98.6153.9-14937.5-32.4000114.9K98P96-K98 PolarHBondContact O-N 3.37Å
97D55.2Low53.6Low168 Ų168145 Ų14590%0.89872%0.721SS**  trans-45121.6165.1-81.9-63.6000113.3
98K41.6Very low52.1Low180 Ų180152.6 Ų152.678%0.78374%0.742SS**  trans-146.9113.8157.1-92.8-175.1-175.71760113P96P96-K98 PolarHBondContact O-N 3.37Å
99Q38.7Very low50.2Low174 Ų174157.2 Ų157.281%0.81376%0.764SS**  trans82.292.7138.9-59.21765.700119.3
100M33.8Very low48.7Very low193 Ų193163 Ų16395%0.95178%0.78SS**  trans-102.2108.4145.6-75.7176.375.400108.7
101A37.4Very low47.4Very low104 Ų104166.9 Ų166.986%0.8680%0.799SS**  trans-75.6130.9171.100000110.2
102V46.1Very low46Very low129 Ų129162.8 Ų162.878%0.78281%0.805SS**  trans-79.3137177.7171.80000110.2
103L43.8Very low44.7Very low169 Ų169160.7 Ų160.789%0.88581%0.808SS**  trans-137.4148.9153.9-73.9-178000111.2
104P46.4Very low43.6Very low116 Ų116156.5 Ų156.575%0.75381%0.809SS**  trans-102.8153.1-149.632.8-22000115.7
105R40.7Very low42.9Very low209 Ų209151.7 Ų151.779%0.78981%0.813SS**  trans-59.5121.3174.9178.2179.3168.8137-6.3112.5E107R105-E107 IonicContact CZ-OE1 2.87Å; R105-E107 IonicContact NE-OE1 3.92Å; R105-E107 PolarHBondContact NE-OE1 3.41Å; R105-E107 IonicContact NH2-OE1 3.01Å; R105-E107 PolarHBondContact NH2-OE1 2.6Å; R105-E107 PolarHBondContact O-N 3.22Å
106R41.6Very low42.8Very low217 Ų217153.5 Ų153.582%0.81982%0.815SS**  trans-91.1100168.4-161.7173.7-171.5164.93.4109.6
107E43.9Very low42.8Very low145 Ų145153.9 Ų153.968%0.67882%0.817SS**  trans-82.9123.7172.9-151.2147-125.500108.5R105R105-E107 IonicContact CZ-OE1 2.87Å; R105-E107 IonicContact NE-OE1 3.92Å; R105-E107 PolarHBondContact NE-OE1 3.41Å; R105-E107 IonicContact NH2-OE1 3.01Å; R105-E107 PolarHBondContact NH2-OE1 2.6Å; R105-E107 PolarHBondContact O-N 3.22Å
108R45Very low42.3Very low199 Ų199154.4 Ų154.475%0.75181%0.814SS**  trans-135.296.1168.4-169.8177.1-77.1-179.8-5.2110.3
109N38.8Very low42.6Very low150 Ų150152.9 Ų152.980%0.80281%0.814SS**  trans66.6111.9132.1-123.69000119.1
110R47.5Very low43.1Very low223 Ų223150.2 Ų150.284%0.84282%0.815SS**  trans-96.9160.3156.1-84.9-178.9163.9149-4.1109.1
111Q45.6Very low44Very low191 Ų191150.8 Ų150.889%0.89381%0.812SS**  trans90.3133.3166.1-54.1161.56.300113.1
112A36.3Very low44.3Very low100 Ų100149.4 Ų149.483%0.82681%0.809SS**  cis-166.3152.75.400000108.9
113A38.9Very low44.6Very low96 Ų96152.5 Ų152.579%0.79381%0.811SS**  trans169.395.2150.800000107.4
114A40.3Very low44.8Very low101 Ų101148 Ų14884%0.83581%0.805SS**  65.610285.700000113.9
115A43.1Very low45.3Very low105 Ų105154 Ų15487%0.86881%0.813SS**  trans40.9110.3145.400000120.4
116N39.2Very low46.2Very low146 Ų146155.9 Ų155.978%0.78182%0.82SS**  trans-155.3116.7139.1-165.93.5000110.1
117P54.7Low46.9Very low116 Ų116149.2 Ų149.275%0.75382%0.819SS**  trans-101.693.217534.8-22000109
118E45.6Very low47.3Very low179 Ų179150.3 Ų150.384%0.83682%0.824SS**  trans-158.9130.8158.3-117.3172.7-178.700113.1
119N48.3Very low47.9Very low148 Ų148151.3 Ų151.379%0.79183%0.828SS**  trans71.791159.4-144.913.8000117.9
120S48.1Very low48.7Very low119 Ų119146.3 Ų146.383%0.83281%0.811SS**  trans-152.998.6137.714.30000110.2G122S120-G122 PolarHBondContact O-N 2.95Å
121K52.3Low49.1Very low204 Ų204144.2 Ų144.289%0.88781%0.808SS**  trans-51.587.5155.8-95.9169.5168.6168.50108.6K123K121-K123 PolarHBondContact O-N 3.49Å
122G44.4Very low49.7Very low76 Ų76142.4 Ų142.478%0.78481%0.805SS**  trans-7268.8170.500000110.1S120 G124S120-G122 PolarHBondContact O-N 2.95Å; G122-G124 PolarHBondContact O-N 2.9Å; G122-G124 VanDerWaalsContact O-N 3.07Å
123K51.7Low51.4Low193 Ų193144.4 Ų144.484%0.83979%0.791SS**  trans-56.7113.2169.2-154.4171.4-173.2176.10106.7K121 R125K121-K123 PolarHBondContact O-N 3.49Å; K123-R125 PolarHBondContact O-N 3.49Å
124G48.7Very low53.7Low74 Ų74141.6 Ų141.676%0.76377%0.772SS**  trans-48.2101.1-174.200000112.5G122 R126G122-G124 PolarHBondContact O-N 2.9Å; G122-G124 VanDerWaalsContact O-N 3.07Å; G124-R126 PolarHBondContact O-N 3.4Å
125R55.6Low56.3Low242 Ų242138.4 Ų138.491%0.91374%0.743SS**  trans-81.264165.9-74.9-176.8169.6-179.4-2.2109.1K123K123-R125 PolarHBondContact O-N 3.49Å
126R59.7Low58.7Low250 Ų250136.1 Ų136.194%0.94372%0.718SS**  trans-122.291.9163.1-77.8-174.3179.71760.5107.1G124G124-R126 PolarHBondContact O-N 3.4Å
127G56.4Low61.5Low77 Ų77132.7 Ų132.779%0.79470%0.699SS**SBendtrans165.6-10.6177.400000115.8
128Q53Low63.5Low167 Ų167129.3 Ų129.378%0.7868%0.676SS**  trans-113.860-174.9-149.6173.335.600111.9
129R57Low66Low221 Ų221123.4 Ų123.483%0.83466%0.658SS**SBendtrans-128.517.6171.8-104.6-173.2179.9177-0113.3R133R129-R133 PolarHBondContact O-NE 3.48Å; R129-R133 PolarHBondContact O-NH2 3.02Å
130G55.3Low68.3Low44 Ų44119.4 Ų119.445%0.45464%0.636SS.*  trans-125.41.5-16100000117.9N132G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.32Å
131K57.1Low70.7Confident179 Ų179120.5 Ų120.578%0.77863%0.628SS**THydrogen-bonded Turntrans-75.8-18.5-172.9-75.5-178.4172.1-172.70114.7
132N57.7Low72.9Confident153 Ų153113 Ų11382%0.81860%0.597SS**THydrogen-bonded Turntrans-125.729.6-178.8-57.2-4.4000112.1G130 G134G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.32Å; N132-G134 PolarHBondContact O-N 3.37Å
133R72.3Confident75.4Confident143 Ų143111.9 Ų111.954%0.5457%0.573SS.*  trans-80.1118.1169.1-65.3-178.2-174.5-169-4.4105.9R129 S165R129-R133 PolarHBondContact O-NE 3.48Å; R129-R133 PolarHBondContact O-NH2 3.02Å; R133-S165 PolarHBondContact O-N 3.38Å
134G87.6Confident77.5Confident37 Ų37102.7 Ų102.738%0.38153%0.534SS..BIsolated β-bridgetrans-60-169.9172.100000111.2N132 V136 S165N132-G134 PolarHBondContact O-N 3.37Å; G134-V136 WeakPolarHBondContact O-CG1 3.14Å; G134-V136 PolarHBondContact O-N 3.2Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.29Å
135C93.8Very high79.9Confident34 Ų34102.3 Ų102.323%0.2352%0.516CS..SBendtrans-62.2110.4179.1-174.60000111.7S165 C196 G226C135-S165 PolarHBondContact N-O 2.94Å; C135-S165 VanDerWaalsContact N-O 3.11Å; C135-C196 WeakPolarHBondContact CA-SG 3.35Å; C135-C196 HydrophobicContact CB-CB 3.71Å; C135-C196 WeakPolarHBondContact CB-SG 3.36Å; C135-C196 WeakPolarHBondContact SG-CA 3.5Å; C135-C196 WeakPolarHBondContact SG-CB 3.32Å; C135-C196 CovalentContact SG-SG 2.04Å; C135-C196 PolarHBondContact SG-SG 3.06Å; C135-G226 PolarHBondContact SG-O 3.06Å
136V94.7Very high81.8Confident57 Ų5795.2 Ų95.235%0.34550%0.496SS..EExtended strand (participates in β ladder)trans-125.9151.5-174.1-69.50000112.1G134 S163G134-V136 WeakPolarHBondContact O-CG1 3.14Å; G134-V136 PolarHBondContact O-N 3.2Å; V136-S163 VanDerWaalsContact CG2-O 3.29Å; V136-S163 WeakPolarHBondContact CG2-O 3.35Å; V136-S163 PolarHBondContact N-O 2.89Å; V136-S163 PolarHBondContact O-N 3.33Å
137L97.1Very high83.6Confident73 Ų7385.4 Ų85.438%0.38246%0.462SS..EExtended strand (participates in β ladder)trans-87.7128.3172.8-170.467.3000109.9R160 A222 K223 C225L137-R160 HydrophobicContact CD1-CB 3.97Å; L137-R160 HydrophobicContact CG-CB 4.37Å; L137-A222 HydrophobicContact CD1-CB 3.78Å; L137-A222 WeakPolarHBondContact CD1-O 3.45Å; L137-K223 WeakPolarHBondContact CD2-O 3.35Å; L137-C225 WeakPolarHBondContact CD1-SG 3.39Å
138T97.1Very high85.5Confident45 Ų4585 Ų8528%0.27646%0.458SS..EExtended strand (participates in β ladder)trans-121.2142.1176.5-56.50000109.3R160 Y161T138-R160 CarbonylContact O-C 3.5Å; T138-R160 WeakPolarHBondContact O-CA 3.42Å; T138-Y161 HydrophobicContact CG2-CE1 3.91Å; T138-Y161 HydrophobicContact CG2-CE2 4.41Å; T138-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T138-Y161 PolarHBondContact N-O 2.83Å; T138-Y161 PolarHBondContact O-N 2.84Å
139A97.5Very high87.5Confident56 Ų5681.7 Ų81.746%0.46345%0.445SS..EExtended strand (participates in β ladder)trans-117.8140.1179.500000110.6I158 R160A139-I158 HydrophobicContact CB-CG2 4.02Å; A139-R160 HydrophobicContact CB-CG 3.93Å
140I97.7Very high89.4Confident63 Ų6374.7 Ų74.732%0.32344%0.442SS..EExtended strand (participates in β ladder)trans-135140.7173.457.4173.9000109.2L142 I158 F159 Y161I140-L142 HydrophobicContact CD1-CD1 3.65Å; I140-L142 HydrophobicContact CD1-CD2 4.18Å; I140-L142 HydrophobicContact CD1-CG 3.96Å; I140-L142 HydrophobicContact CG1-CD1 4.07Å; I140-L142 HydrophobicContact CG1-CG 4.07Å; I140-I158 CarbonylContact O-C 3.54Å; I140-I158 WeakPolarHBondContact O-CA 3.32Å; I140-F159 HydrophobicContact CD1-CD1 4Å; I140-F159 HydrophobicContact CG1-CB 4.13Å; I140-F159 HydrophobicContact CG1-CD1 3.98Å; I140-F159 VanDerWaalsContact CG1-O 3.29Å; I140-F159 WeakPolarHBondContact CG1-O 3.45Å; I140-F159 PolarHBondContact N-O 2.99Å; I140-F159 PolarHBondContact O-N 3.46Å; I140-Y161 HydrophobicContact CD1-CE1 4.14Å; I140-Y161 HydrophobicContact CG1-CD1 4.48Å; I140-Y161 HydrophobicContact CG1-CE1 4.19Å; I140-Y161 HydrophobicContact CG2-CE1 4.03Å
141H98.1Very high91.3Very high143 Ų14375.7 Ų75.766%0.66243%0.433SS*.EExtended strand (participates in β ladder)trans-89.1129.7173.8-69.6-153.1000107.9I158H141-I158 WeakPolarHBondContact NE2-CD1 3.38Å
142L97.6Very high93.2Very high45 Ų4573.6 Ų73.624%0.23643%0.426CS..EExtended strand (participates in β ladder)trans-141.3158.7-175.5-67.5179.7000110.3I140 D146 L147 E156 L157 F159I140-L142 HydrophobicContact CD1-CD1 3.65Å; I140-L142 HydrophobicContact CD1-CD2 4.18Å; I140-L142 HydrophobicContact CD1-CG 3.96Å; I140-L142 HydrophobicContact CG1-CD1 4.07Å; I140-L142 HydrophobicContact CG1-CG 4.07Å; L142-D146 HydrophobicContact CB-CB 4.29Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; L142-L147 HydrophobicContact CD1-CD2 4.15Å; L142-E156 CarbonylContact O-C 3.59Å; L142-E156 WeakPolarHBondContact O-CA 3.45Å; L142-L157 PolarHBondContact N-O 3.26Å; L142-L157 PolarHBondContact O-N 3.2Å; L142-L157 VanDerWaalsContact O-O 3.1Å; L142-F159 HydrophobicContact CD1-CB 3.98Å; L142-F159 HydrophobicContact CD1-CG 4.46Å
143N97.6Very high95Very high53 Ų5366.8 Ų66.828%0.28339%0.39SS..EExtended strand (participates in β ladder)trans-77.8157.3162.1-55.9-73.3000110T145 D146 E156N143-T145 WeakPolarHBondContact CB-OG1 3.43Å; N143-T145 PolarHBondContact O-N 3.41Å; N143-D146 WeakPolarHBondContact CB-OD2 3.43Å; N143-D146 PolarHBondContact N-OD2 2.87Å; N143-D146 PolarHBondContact ND2-OD2 3.27Å; N143-D146 WeakPolarHBondContact O-CB 3.35Å; N143-D146 PolarHBondContact O-N 3.29Å; N143-E156 WeakPolarHBondContact OD1-CG 3.22Å
144V96.8Very high96.2Very high1 Ų168.3 Ų68.31%0.00640%0.4CS..SBendtrans-62.3-32.5172.7171.90000111.1D146 L147 Y151 T153 E155 L157 L205 F207V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 3.13Å; V144-L147 WeakPolarHBondContact O-CB 3.3Å; V144-L147 PolarHBondContact O-N 2.92Å; V144-Y151 HydrophobicContact CG1-CD2 4.31Å; V144-T153 HydrophobicContact CB-CG2 3.5Å; V144-T153 VanDerWaalsContact CB-CG2 3.5Å; V144-T153 HydrophobicContact CG1-CG2 3.54Å; V144-T153 HydrophobicContact CG2-CG2 4.18Å; V144-E155 HydrophobicContact CG2-CB 4.07Å; V144-E155 WeakPolarHBondContact CG2-O 3.44Å; V144-E155 PolarHBondContact N-O 3.27Å; V144-L157 HydrophobicContact CB-CD2 4.28Å; V144-L157 HydrophobicContact CG2-CD2 3.66Å; V144-L205 HydrophobicContact CG2-CD2 4.41Å; V144-F207 HydrophobicContact CG1-CD1 4.21Å; V144-F207 HydrophobicContact CG1-CD2 4.36Å; V144-F207 HydrophobicContact CG1-CE1 3.69Å; V144-F207 HydrophobicContact CG1-CE2 3.9Å; V144-F207 HydrophobicContact CG1-CZ 3.56Å; V144-F207 HydrophobicContact CG2-CD1 4.18Å; V144-F207 HydrophobicContact CG2-CE1 4.43Å; V144-F207 HydrophobicContact CG2-CG 4.4Å
145T97.2Very high96.6Very high65 Ų6569.9 Ų69.940%0.39940%0.398SS..G310 helixtrans-63.7-33.8175.2490000112.9N143 L147 G148 Y151 T153N143-T145 WeakPolarHBondContact CB-OG1 3.43Å; N143-T145 PolarHBondContact O-N 3.41Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.16Å; T145-G148 PolarHBondContact O-N 3.2Å; T145-G148 VanDerWaalsContact O-N 3.09Å; T145-Y151 WeakPolarHBondContact CG2-O 3.41Å; T145-T153 VanDerWaalsContact CG2-O 3.26Å; T145-T153 WeakPolarHBondContact CG2-O 3.46Å
146D97.4Very high96.7Very high93 Ų9375 Ų7550%0.49742%0.418SS..G310 helixtrans-66.4-16.7179.5-62.7-38.6000112.6L142 N143 V144 G148L142-D146 HydrophobicContact CB-CB 4.29Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; N143-D146 WeakPolarHBondContact CB-OD2 3.43Å; N143-D146 PolarHBondContact N-OD2 2.87Å; N143-D146 PolarHBondContact ND2-OD2 3.27Å; N143-D146 WeakPolarHBondContact O-CB 3.35Å; N143-D146 PolarHBondContact O-N 3.29Å; V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 3.13Å; D146-G148 PolarHBondContact O-N 2.84Å
147L96Very high96.8Very high44 Ų4472.9 Ų72.923%0.2341%0.405CS..G310 helixtrans-72.2-15.5175.2-57.7178.1000112.9L142 V144 T145 L149 L157 F159 L217L142-L147 HydrophobicContact CD1-CD2 4.15Å; V144-L147 WeakPolarHBondContact O-CB 3.3Å; V144-L147 PolarHBondContact O-N 2.92Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.16Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 HydrophobicContact CB-CD1 4.07Å; L147-L149 HydrophobicContact CB-CG 3.95Å; L147-L149 HydrophobicContact CD1-CD1 4.16Å; L147-L149 PolarHBondContact O-N 3.41Å; L147-L157 HydrophobicContact CD1-CD1 4.24Å; L147-L157 HydrophobicContact CD1-CD2 3.82Å; L147-L157 HydrophobicContact CG-CD2 4.25Å; L147-F159 HydrophobicContact CD2-CD2 4.36Å; L147-L217 HydrophobicContact CD1-CD1 3.86Å
148G96.5Very high96.8Very high68 Ų6873.2 Ų73.270%0.70141%0.406SS*.THydrogen-bonded Turntrans66.424.8178.700000114.1T145 D146 G150T145-G148 PolarHBondContact O-N 3.2Å; T145-G148 VanDerWaalsContact O-N 3.09Å; D146-G148 PolarHBondContact O-N 2.84Å; G148-G150 VanDerWaalsContact C-N 3.33Å
149L96Very high96.9Very high98 Ų9873.6 Ų73.651%0.51340%0.404SS..SBendtrans-87.91-179.2-61.5176.8000113.5L147 Y151 L217L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 HydrophobicContact CB-CD1 4.07Å; L147-L149 HydrophobicContact CB-CG 3.95Å; L147-L149 HydrophobicContact CD1-CD1 4.16Å; L147-L149 PolarHBondContact O-N 3.41Å; L149-Y151 HydrophobicContact CB-CD2 3.65Å; L149-Y151 HydrophobicContact CB-CE2 3.59Å; L149-Y151 HydrophobicContact CD1-CE2 4.15Å; L149-L217 HydrophobicContact CD1-CD1 4.24Å; L149-L217 HydrophobicContact CD1-CD2 3.69Å
150G95.6Very high96.9Very high74 Ų7475.1 Ų75.176%0.76340%0.398SS*.SBendtrans84.712.9177.600000115.3G148G148-G150 VanDerWaalsContact C-N 3.33Å
151Y95.9Very high96.9Very high66 Ų6676 Ų7626%0.25940%0.398SS..  trans-85.5135.4173.8-59-71.7000111V144 T145 L149 F207 H215 L217V144-Y151 HydrophobicContact CG1-CD2 4.31Å; T145-Y151 WeakPolarHBondContact CG2-O 3.41Å; L149-Y151 HydrophobicContact CB-CD2 3.65Å; L149-Y151 HydrophobicContact CB-CE2 3.59Å; L149-Y151 HydrophobicContact CD1-CE2 4.15Å; Y151-F207 AromaticContact CD1-CE2 3.9Å; Y151-F207 HydrophobicContact CD1-CE2 3.9Å; Y151-F207 AromaticContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD2-CE2 4.38Å; Y151-F207 AromaticContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CE1-CZ 4.07Å; Y151-F207 AromaticContact CE2-CZ 3.97Å; Y151-F207 HydrophobicContact CE2-CZ 3.97Å; Y151-F207 AromaticContact CG-CE2 3.81Å; Y151-F207 HydrophobicContact CG-CE2 3.81Å; Y151-F207 AromaticContact CG-CZ 3.49Å; Y151-F207 HydrophobicContact CG-CZ 3.49Å; Y151-F207 VanDerWaalsContact CG-CZ 3.49Å; Y151-H215 HydrophobicContact CD1-CB 4.44Å; Y151-H215 AromaticContact CD1-CG 3.95Å; Y151-H215 HydrophobicContact CE1-CB 3.99Å; Y151-H215 AromaticContact CE1-CE1 3.96Å; Y151-H215 AromaticContact CE1-CG 3.6Å; Y151-H215 AromaticContact CE1-ND1 3.52Å; Y151-L217 HydrophobicContact CE2-CD2 3.92Å
152E96.2Very high96.9Very high135 Ų13570.2 Ų70.263%0.63137%0.373SS*.  trans-102.497.7172.4-64.9-178174.200108.3D209 D210E152-D209 WeakPolarHBondContact O-CB 3.3Å; E152-D210 PolarHBondContact O-N 3.32Å
153T97.1Very high96.8Very high10 Ų1070.2 Ų70.26%0.06138%0.377CS..  trans-152.3158.2-179.2179.90000110.2V144 T145 E155 F207 L208V144-T153 HydrophobicContact CB-CG2 3.5Å; V144-T153 VanDerWaalsContact CB-CG2 3.5Å; V144-T153 HydrophobicContact CG1-CG2 3.54Å; V144-T153 HydrophobicContact CG2-CG2 4.18Å; T145-T153 VanDerWaalsContact CG2-O 3.26Å; T145-T153 WeakPolarHBondContact CG2-O 3.46Å; T153-E155 HydrophobicContact CG2-CB 4.44Å; T153-E155 PolarHBondContact OG1-N 2.96Å; T153-F207 HydrophobicContact CG2-CD2 3.86Å; T153-F207 HydrophobicContact CG2-CE2 3.94Å; T153-L208 PolarHBondContact OG1-O 2.99Å
154K95.8Very high96.5Very high175 Ų17569.8 Ų69.876%0.76139%0.385SS*.  trans-98.57173.9-59.3175.7-170.8169.50112.7
155E96.3Very high96.2Very high70 Ų7071.9 Ų71.933%0.32740%0.399SS..  trans-72.5147.9177.6-71.3-159.7-150.100112.6V144 T153 F207 L208V144-E155 HydrophobicContact CG2-CB 4.07Å; V144-E155 WeakPolarHBondContact CG2-O 3.44Å; V144-E155 PolarHBondContact N-O 3.27Å; T153-E155 HydrophobicContact CG2-CB 4.44Å; T153-E155 PolarHBondContact OG1-N 2.96Å; E155-F207 HydrophobicContact CB-CB 4.01Å; E155-F207 HydrophobicContact CG-CB 4.02Å; E155-F207 VanDerWaalsContact OE1-CA 3.29Å; E155-F207 WeakPolarHBondContact OE1-CA 3.24Å; E155-F207 WeakPolarHBondContact OE1-CB 3.46Å; E155-F207 VanDerWaalsContact OE2-CA 3.28Å; E155-F207 WeakPolarHBondContact OE2-CA 3.44Å; E155-F207 WeakPolarHBondContact OE2-CB 3.37Å; E155-L208 PolarHBondContact OE1-N 3.25Å
156E96.3Very high95.9Very high141 Ų14169.4 Ų69.466%0.65939%0.385SS*.EExtended strand (participates in β ladder)trans-116153.5-178.1-69.6-178.6-174.200111L142 N143L142-E156 CarbonylContact O-C 3.59Å; L142-E156 WeakPolarHBondContact O-CA 3.45Å; N143-E156 WeakPolarHBondContact OD1-CG 3.22Å
157L96.8Very high95.2Very high13 Ų1369.9 Ų69.97%0.06839%0.387CS..EExtended strand (participates in β ladder)trans-142.7163.1174.472.3143.2000113L142 V144 L147 F159 L205L142-L157 PolarHBondContact N-O 3.26Å; L142-L157 PolarHBondContact O-N 3.2Å; L142-L157 VanDerWaalsContact O-O 3.1Å; V144-L157 HydrophobicContact CB-CD2 4.28Å; V144-L157 HydrophobicContact CG2-CD2 3.66Å; L147-L157 HydrophobicContact CD1-CD1 4.24Å; L147-L157 HydrophobicContact CD1-CD2 3.82Å; L147-L157 HydrophobicContact CG-CD2 4.25Å; L157-F159 HydrophobicContact CD1-CB 4.23Å; L157-L205 HydrophobicContact CB-CD2 3.68Å; L157-L205 HydrophobicContact CD1-CD2 4.11Å; L157-L205 HydrophobicContact CD2-CD2 4.28Å; L157-L205 HydrophobicContact CG-CD2 4.23Å
158I97.8Very high93.9Very high79 Ų7972.8 Ų72.841%0.40542%0.417SS..EExtended strand (participates in β ladder)trans-97.7102.5167.6-56-178.8000108A139 I140 H141 R160A139-I158 HydrophobicContact CB-CG2 4.02Å; I140-I158 CarbonylContact O-C 3.54Å; I140-I158 WeakPolarHBondContact O-CA 3.32Å; H141-I158 WeakPolarHBondContact NE2-CD1 3.38Å; I158-R160 HydrophobicContact CG2-CG 4.36Å
159F98.3Very high92.3Very high54 Ų5471.9 Ų71.924%0.23740%0.404CS..EExtended strand (participates in β ladder)trans-85.5115174.2179.5-100000110.6I140 L142 L147 L157 Y161 H220I140-F159 HydrophobicContact CD1-CD1 4Å; I140-F159 HydrophobicContact CG1-CB 4.13Å; I140-F159 HydrophobicContact CG1-CD1 3.98Å; I140-F159 VanDerWaalsContact CG1-O 3.29Å; I140-F159 WeakPolarHBondContact CG1-O 3.45Å; I140-F159 PolarHBondContact N-O 2.99Å; I140-F159 PolarHBondContact O-N 3.46Å; L142-F159 HydrophobicContact CD1-CB 3.98Å; L142-F159 HydrophobicContact CD1-CG 4.46Å; L147-F159 HydrophobicContact CD2-CD2 4.36Å; L157-F159 HydrophobicContact CD1-CB 4.23Å; F159-Y161 AromaticContact CD1-CD1 3.97Å; F159-Y161 HydrophobicContact CD1-CD1 3.97Å; F159-Y161 AromaticContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CG 4.13Å; F159-H220 WeakPolarHBondContact CE2-O 3.48Å
160R98.3Very high91.3Very high87 Ų8770 Ų7033%0.32839%0.392SS..EExtended strand (participates in β ladder)trans-98.3139.3169.7-51.3-171.7-176.3132.6-2.7112.5L137 T138 A139 I158 D202 S221 A222L137-R160 HydrophobicContact CD1-CB 3.97Å; L137-R160 HydrophobicContact CG-CB 4.37Å; T138-R160 CarbonylContact O-C 3.5Å; T138-R160 WeakPolarHBondContact O-CA 3.42Å; A139-R160 HydrophobicContact CB-CG 3.93Å; I158-R160 HydrophobicContact CG2-CG 4.36Å; R160-D202 WeakPolarHBondContact CD-OD2 3.36Å; R160-D202 IonicContact CZ-OD2 2.89Å; R160-D202 IonicContact NE-OD2 2.81Å; R160-D202 IonicContact NH1-OD1 3.51Å; R160-D202 PolarHBondContact NH1-OD1 3.42Å; R160-D202 IonicContact NH1-OD2 3.24Å; R160-D202 PolarHBondContact NH1-OD2 2.81Å; R160-S221 WeakPolarHBondContact CA-OG 3.49Å; R160-S221 WeakPolarHBondContact CB-OG 2.9Å; R160-S221 PolarHBondContact N-OG 3.09Å; R160-S221 PolarHBondContact O-OG 3.18Å; R160-S221 VanDerWaalsContact O-OG 3.07Å; R160-A222 WeakPolarHBondContact CB-O 3.37Å; R160-A222 PolarHBondContact O-N 2.96Å
161Y98.1Very high90.9Very high82 Ų8270.1 Ų70.132%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-140.5158.6178.464.7-85000112.7T138 I140 F159T138-Y161 HydrophobicContact CG2-CE1 3.91Å; T138-Y161 HydrophobicContact CG2-CE2 4.41Å; T138-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T138-Y161 PolarHBondContact N-O 2.83Å; T138-Y161 PolarHBondContact O-N 2.84Å; I140-Y161 HydrophobicContact CD1-CE1 4.14Å; I140-Y161 HydrophobicContact CG1-CD1 4.48Å; I140-Y161 HydrophobicContact CG1-CE1 4.19Å; I140-Y161 HydrophobicContact CG2-CE1 4.03Å; F159-Y161 AromaticContact CD1-CD1 3.97Å; F159-Y161 HydrophobicContact CD1-CD1 3.97Å; F159-Y161 AromaticContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CG 4.13Å
162C97.1Very high90.7Very high22 Ų2272 Ų7215%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-96.1130178.9-61.50000110.8C225C162-C225 WeakPolarHBondContact CA-SG 3.3Å; C162-C225 HydrophobicContact CB-CB 3.74Å; C162-C225 WeakPolarHBondContact CB-SG 3.37Å; C162-C225 WeakPolarHBondContact SG-CA 3.43Å; C162-C225 WeakPolarHBondContact SG-CB 3.43Å; C162-C225 CovalentContact SG-SG 2.03Å; C162-C225 PolarHBondContact SG-SG 2.9Å
163S94.9Very high90.3Very high45 Ų4572.3 Ų72.332%0.31539%0.393SS..EExtended strand (participates in β ladder)trans-148.5160.7175.563.60000111.2V136 C196V136-S163 VanDerWaalsContact CG2-O 3.29Å; V136-S163 WeakPolarHBondContact CG2-O 3.35Å; V136-S163 PolarHBondContact N-O 2.89Å; V136-S163 PolarHBondContact O-N 3.33Å; S163-C196 PolarHBondContact O-SG 2.87Å
164G92.4Very high89.9Confident44 Ų4473 Ų7345%0.45440%0.396SS..SBendtrans120.9175.9-177.800000112.5
165S90.2Very high89.6Confident44 Ų4469.6 Ų69.631%0.30838%0.382SS..BIsolated β-bridgetrans-91.9156.3-179.577.80000112.6R133 G134 C135 D167R133-S165 PolarHBondContact O-N 3.38Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.29Å; C135-S165 PolarHBondContact N-O 2.94Å; C135-S165 VanDerWaalsContact N-O 3.11Å; S165-D167 VanDerWaalsContact CB-OD2 3.24Å; S165-D167 WeakPolarHBondContact CB-OD2 3.49Å; S165-D167 PolarHBondContact OG-OD2 3.49Å
166C91Very high89.2Confident14 Ų1470.5 Ų70.510%0.09539%0.388CS..  trans-115.216.7180-79.90000113.3A168 A169 A194 C196 C227C166-A168 PolarHBondContact O-N 2.99Å; C166-A168 VanDerWaalsContact O-N 3.1Å; C166-A169 PolarHBondContact O-N 3.09Å; C166-A194 HydrophobicContact CB-CB 4.37Å; C166-A194 WeakPolarHBondContact CB-O 3.3Å; C166-C196 PolarHBondContact SG-N 2.81Å; C166-C196 VanDerWaalsContact SG-N 3.45Å; C166-C227 WeakPolarHBondContact CA-SG 3.38Å; C166-C227 HydrophobicContact CB-CB 3.65Å; C166-C227 WeakPolarHBondContact CB-SG 3.33Å; C166-C227 WeakPolarHBondContact SG-CA 3.38Å; C166-C227 WeakPolarHBondContact SG-CB 3.26Å; C166-C227 CovalentContact SG-SG 2.03Å; C166-C227 PolarHBondContact SG-SG 3.07Å
167D82.8Confident88.8Confident102 Ų10264.8 Ų64.855%0.54536%0.362SS..THydrogen-bonded Turntrans-63.6-19.5-176.8-47.5-50.1000113.7S165 E170S165-D167 VanDerWaalsContact CB-OD2 3.24Å; S165-D167 WeakPolarHBondContact CB-OD2 3.49Å; S165-D167 PolarHBondContact OG-OD2 3.49Å; D167-E170 WeakPolarHBondContact O-CG 3.25Å
168A68.9Low88.4Confident105 Ų10569.2 Ų69.287%0.86838%0.38SS*.THydrogen-bonded Turntrans-93.7-19.3-177.800000113.6C166 E170C166-A168 PolarHBondContact O-N 2.99Å; C166-A168 VanDerWaalsContact O-N 3.1Å; A168-E170 VanDerWaalsContact C-N 3.3Å; A168-E170 PolarHBondContact O-N 2.84Å
169A63.7Low87.9Confident50 Ų5069.7 Ų69.741%0.41338%0.384SS..  trans-96.938.2-17500000111.7C166 T171 C227C166-A169 PolarHBondContact O-N 3.09Å; A169-T171 PolarHBondContact O-N 3.01Å; A169-C227 HydrophobicContact CB-CB 3.72Å
170E73.8Confident87.5Confident59 Ų5969.8 Ų69.828%0.27639%0.387SS..  trans-72.5109.3-173.2-61.7-179.4171.700111.2D167 A168 D174 K175 K178D167-E170 WeakPolarHBondContact O-CG 3.25Å; A168-E170 VanDerWaalsContact C-N 3.3Å; A168-E170 PolarHBondContact O-N 2.84Å; E170-D174 HydrophobicContact CB-CB 4.27Å; E170-K175 HydrophobicContact CB-CG 3.96Å; E170-K175 WeakPolarHBondContact O-CE 3.33Å; E170-K178 WeakPolarHBondContact OE1-CD 2.95Å; E170-K178 IonicContact OE1-NZ 3.82Å; E170-K178 PolarHBondContact OE1-NZ 3.22Å
171T87.4Confident87Confident75 Ų7567.4 Ų67.446%0.4638%0.383SS..  trans-66.4167.816670.30000110.2A169 Y173 D174 K175A169-T171 PolarHBondContact O-N 3.01Å; T171-Y173 PolarHBondContact O-N 2.9Å; T171-Y173 PolarHBondContact OG1-N 3.11Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 PolarHBondContact N-OD2 2.03Å; T171-D174 PolarHBondContact O-N 2.04Å; T171-D174 VanDerWaalsContact O-N 3.17Å; T171-D174 PolarHBondContact OG1-N 3.1Å; T171-D174 PolarHBondContact OG1-OD2 3.33Å; T171-K175 WeakPolarHBondContact O-CG 3Å; T171-K175 PolarHBondContact O-N 2.03Å
172T91.2Very high86.5Confident107 Ų10773.3 Ų73.366%0.65641%0.405SS*.Hα-helixtrans-56.4-36.7172.8-53.50000111.6K175 I176T172-K175 PolarHBondContact O-N 3.37Å; T172-I176 HydrophobicContact CG2-CD1 4.12Å; T172-I176 VanDerWaalsContact O-CG1 3.28Å; T172-I176 WeakPolarHBondContact O-CG1 3.01Å; T172-I176 PolarHBondContact O-N 3.45Å
173Y89Confident86.2Confident140 Ų14077 Ų7755%0.54942%0.423SS..Hα-helixtrans-61.7-47.7176.2175.7-99.7000111.7T171 K175 I176 L177T171-Y173 PolarHBondContact O-N 2.9Å; T171-Y173 PolarHBondContact OG1-N 3.11Å; Y173-K175 VanDerWaalsContact C-N 3.31Å; Y173-K175 PolarHBondContact O-N 3.28Å; Y173-I176 WeakPolarHBondContact O-CB 3.37Å; Y173-I176 PolarHBondContact O-N 3.05Å; Y173-I176 VanDerWaalsContact O-N 3.12Å; Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.3Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 3.91Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CD2 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.32Å; Y173-L177 PolarHBondContact O-N 3.01Å
174D88.7Confident85.8Confident24 Ų2485.4 Ų85.413%0.12845%0.448CS..Hα-helixtrans-63.1-38.1178.9-58.5-56000112E170 T171 I176 L177 K178E170-D174 HydrophobicContact CB-CB 4.27Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 PolarHBondContact N-OD2 2.03Å; T171-D174 PolarHBondContact O-N 2.04Å; T171-D174 VanDerWaalsContact O-N 3.17Å; T171-D174 PolarHBondContact OG1-N 3.1Å; T171-D174 PolarHBondContact OG1-OD2 3.33Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-I176 PolarHBondContact O-N 3.44Å; D174-L177 PolarHBondContact O-N 3.14Å; D174-K178 VanDerWaalsContact O-CB 3.24Å; D174-K178 WeakPolarHBondContact O-CB 3.4Å; D174-K178 PolarHBondContact O-N 3.11Å
175K88.3Confident85.4Confident105 Ų10592.6 Ų92.646%0.45746%0.461SS..Hα-helixtrans-62.2-43174.1-68.4175.7-173.9175.60111.6E170 T171 T172 Y173 K178 N179E170-K175 HydrophobicContact CB-CG 3.96Å; E170-K175 WeakPolarHBondContact O-CE 3.33Å; T171-K175 WeakPolarHBondContact O-CG 3Å; T171-K175 PolarHBondContact O-N 2.03Å; T172-K175 PolarHBondContact O-N 3.37Å; Y173-K175 VanDerWaalsContact C-N 3.31Å; Y173-K175 PolarHBondContact O-N 3.28Å; K175-K178 PolarHBondContact O-N 3.44Å; K175-N179 WeakPolarHBondContact O-CB 3.42Å; K175-N179 PolarHBondContact O-N 3.45Å; K175-N179 PolarHBondContact O-ND2 2.73Å
176I88.8Confident85.1Confident88 Ų8892.5 Ų92.545%0.45146%0.457SS..Hα-helixtrans-62.4-49.3176.1-68.5163.7000109.7T172 Y173 D174 K178 N179 L180T172-I176 HydrophobicContact CG2-CD1 4.12Å; T172-I176 VanDerWaalsContact O-CG1 3.28Å; T172-I176 WeakPolarHBondContact O-CG1 3.01Å; T172-I176 PolarHBondContact O-N 3.45Å; Y173-I176 WeakPolarHBondContact O-CB 3.37Å; Y173-I176 PolarHBondContact O-N 3.05Å; Y173-I176 VanDerWaalsContact O-N 3.12Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-I176 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 3.21Å; I176-N179 PolarHBondContact O-N 2.92Å; I176-L180 HydrophobicContact CG2-CD1 3.66Å; I176-L180 HydrophobicContact CG2-CG 4.1Å; I176-L180 WeakPolarHBondContact O-CB 2.97Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.77Å
177L88.1Confident84.4Confident21 Ų2199.5 Ų99.511%0.1150%0.499CS..Hα-helixtrans-58.5-45.6178.5-72.8-172.3000112.4Y173 D174 N179 L180 S181 L186 V191Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.3Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 3.91Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CD2 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.32Å; Y173-L177 PolarHBondContact O-N 3.01Å; D174-L177 PolarHBondContact O-N 3.14Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.02Å; L177-L180 PolarHBondContact O-N 2.91Å; L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 2.84Å; L177-L186 HydrophobicContact CD2-CD1 4.31Å; L177-V191 HydrophobicContact CD1-CG1 3.62Å; L177-V191 HydrophobicContact CD2-CG1 3.68Å; L177-V191 HydrophobicContact CG-CG1 4.24Å
178K86.8Confident83.8Confident106 Ų10697.3 Ų97.346%0.46149%0.492SS..Hα-helixtrans-60.3-42.7176.8-173.5171.8179.7171.60111.8E170 D174 K175 I176 R182E170-K178 WeakPolarHBondContact OE1-CD 2.95Å; E170-K178 IonicContact OE1-NZ 3.82Å; E170-K178 PolarHBondContact OE1-NZ 3.22Å; D174-K178 VanDerWaalsContact O-CB 3.24Å; D174-K178 WeakPolarHBondContact O-CB 3.4Å; D174-K178 PolarHBondContact O-N 3.11Å; K175-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 3.21Å; K178-R182 VanDerWaalsContact O-CB 3.29Å; K178-R182 WeakPolarHBondContact O-CB 3.06Å; K178-R182 PolarHBondContact O-N 2.86Å
179N89.2Confident83.7Confident89 Ų8998 Ų9848%0.47648%0.481SS..Hα-helixtrans-67.3-42.5176.4-73.8-26.3000112.4K175 I176 L177 R182 N183K175-N179 WeakPolarHBondContact O-CB 3.42Å; K175-N179 PolarHBondContact O-N 3.45Å; K175-N179 PolarHBondContact O-ND2 2.73Å; I176-N179 PolarHBondContact O-N 2.92Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.02Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.05Å; N179-N183 PolarHBondContact O-N 3.07Å; N179-N183 PolarHBondContact O-ND2 2.98Å
180L89.4Confident84.1Confident57 Ų57104.7 Ų104.730%0.29850%0.501SS..Hα-helixtrans-70-37.3-179.7-66.9175.2000112.3I176 L177 N183 R184 R185 L186I176-L180 HydrophobicContact CG2-CD1 3.66Å; I176-L180 HydrophobicContact CG2-CG 4.1Å; I176-L180 WeakPolarHBondContact O-CB 2.97Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.77Å; L177-L180 PolarHBondContact O-N 2.91Å; L180-N183 PolarHBondContact O-N 3.05Å; L180-R184 PolarHBondContact O-N 3Å; L180-R185 HydrophobicContact CD2-CB 4.09Å; L180-R185 PolarHBondContact O-N 2.99Å; L180-L186 HydrophobicContact CB-CD1 3.87Å; L180-L186 HydrophobicContact CB-CD2 3.98Å; L180-L186 HydrophobicContact CB-CG 3.62Å; L180-L186 HydrophobicContact CD1-CD2 4.08Å
181S87.9Confident84.2Confident36 Ų36104.4 Ų104.425%0.25250%0.503SS..Hα-helixtrans-64.3-47171.2171.50000110.6L177 N183 R184 D189L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 2.84Å; S181-N183 VanDerWaalsContact C-N 3.27Å; S181-N183 PolarHBondContact O-N 3.3Å; S181-R184 PolarHBondContact O-N 3.45Å; S181-D189 PolarHBondContact OG-OD1 3.49Å
182R87.3Confident83.6Confident206 Ų206103.7 Ų103.778%0.77751%0.51SS*.Hα-helixtrans-57.5-39.4175.9-175.4178.9-179.7-177.90.5112.8K178 N179 R184K178-R182 VanDerWaalsContact O-CB 3.29Å; K178-R182 WeakPolarHBondContact O-CB 3.06Å; K178-R182 PolarHBondContact O-N 2.86Å; N179-R182 PolarHBondContact O-N 2.94Å; R182-R184 PolarHBondContact O-N 3.35Å
183N89.8Confident83.2Confident100 Ų100104.8 Ų104.854%0.53551%0.508SS..THydrogen-bonded Turntrans-83.34.8179.5-66.1-17.9000113.4N179 L180 S181 R185N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.05Å; N179-N183 PolarHBondContact O-N 3.07Å; N179-N183 PolarHBondContact O-ND2 2.98Å; L180-N183 PolarHBondContact O-N 3.05Å; S181-N183 VanDerWaalsContact C-N 3.27Å; S181-N183 PolarHBondContact O-N 3.3Å; N183-R185 HydrophobicContact CB-CG 4.13Å; N183-R185 PolarHBondContact O-N 3.49Å; N183-R185 VanDerWaalsContact O-N 3.13Å
184R86.4Confident83.2Confident221 Ų22199.1 Ų99.183%0.83449%0.489SS*.THydrogen-bonded Turntrans51.432.7-176.4-57.6-174.3-178.6-1730.2113.5L180 S181 R182L180-R184 PolarHBondContact O-N 3Å; S181-R184 PolarHBondContact O-N 3.45Å; R182-R184 PolarHBondContact O-N 3.35Å
185R85.8Confident83.4Confident196 Ų196101.4 Ų101.474%0.7451%0.507SS*.  trans-91.1-13.3176.3-69.1-167.7177.2-156.1-0.3112.6L180 N183L180-R185 HydrophobicContact CD2-CB 4.09Å; L180-R185 PolarHBondContact O-N 2.99Å; N183-R185 HydrophobicContact CB-CG 4.13Å; N183-R185 PolarHBondContact O-N 3.49Å; N183-R185 VanDerWaalsContact O-N 3.13Å
186L82.4Confident83.7Confident42 Ų4297.4 Ų97.422%0.2249%0.492CS..SBendtrans-86.8128.7169.5-63174.3000108.9L177 L180 S188 V191L177-L186 HydrophobicContact CD2-CD1 4.31Å; L180-L186 HydrophobicContact CB-CD1 3.87Å; L180-L186 HydrophobicContact CB-CD2 3.98Å; L180-L186 HydrophobicContact CB-CG 3.62Å; L180-L186 HydrophobicContact CD1-CD2 4.08Å; L186-S188 PolarHBondContact O-N 2.98Å; L186-V191 HydrophobicContact CD1-CB 4.27Å; L186-V191 HydrophobicContact CD1-CG2 3.83Å; L186-V191 HydrophobicContact CG-CG2 4.49Å
187V75.9Confident84.1Confident160 Ų160100.3 Ų100.397%0.9750%0.497SS*.SBendtrans-63.6-20.5177.8179.70000111.5
188S71.9Confident84.5Confident56 Ų56100.7 Ų100.739%0.39250%0.5SS..  trans-134.5127.1177.7-179.10000109.7L186 K190 V191L186-S188 PolarHBondContact O-N 2.98Å; S188-K190 PolarHBondContact O-N 2.8Å; S188-K190 WeakPolarHBondContact OG-CB 3.31Å; S188-K190 PolarHBondContact OG-N 3.23Å; S188-K190 VanDerWaalsContact OG-N 3.14Å; S188-V191 WeakPolarHBondContact O-CG2 3.33Å
189D67.1Low85Confident120 Ų12099 Ų9964%0.64250%0.5SS*.SBendtrans-72.2-2.4168-80.6-36.6000112.5S181 V191S181-D189 PolarHBondContact OG-OD1 3.49Å; D189-V191 PolarHBondContact O-N 3.5Å
190K70.6Confident85.5Confident191 Ų19195.8 Ų95.883%0.8349%0.485SS*.  trans-86.226.5175.9-51.7-177.6-180-177.80113S188 G192S188-K190 PolarHBondContact O-N 2.8Å; S188-K190 WeakPolarHBondContact OG-CB 3.31Å; S188-K190 PolarHBondContact OG-N 3.23Å; S188-K190 VanDerWaalsContact OG-N 3.14Å; K190-G192 PolarHBondContact O-N 3.04Å
191V75.8Confident85.9Confident53 Ų5397.1 Ų97.132%0.32149%0.488SS..PPolyproline II helixtrans-73125.9171-173.40000108.1L177 L186 S188 D189 Q193L177-V191 HydrophobicContact CD1-CG1 3.62Å; L177-V191 HydrophobicContact CD2-CG1 3.68Å; L177-V191 HydrophobicContact CG-CG1 4.24Å; L186-V191 HydrophobicContact CD1-CB 4.27Å; L186-V191 HydrophobicContact CD1-CG2 3.83Å; L186-V191 HydrophobicContact CG-CG2 4.49Å; S188-V191 WeakPolarHBondContact O-CG2 3.33Å; D189-V191 PolarHBondContact O-N 3.5Å; V191-Q193 PolarHBondContact O-N 2.9Å
192G75.8Confident86.4Confident59 Ų5996.6 Ų96.661%0.60848%0.483SS*.PPolyproline II helixtrans-59.2119.5-175.400000111.3K190K190-G192 PolarHBondContact O-N 3.04Å
193Q83.4Confident86.9Confident131 Ų13192.6 Ų92.661%0.61248%0.477SS*.PPolyproline II helixtrans-82.7156.2166.3-67.1177.7-3.200109.4V191 C195V191-Q193 PolarHBondContact O-N 2.9Å; Q193-C195 PolarHBondContact O-N 2.81Å; Q193-C195 PolarHBondContact O-SG 2.87Å
194A89.1Confident87.3Confident20 Ų2091.6 Ų91.617%0.16547%0.472CS..PPolyproline II helixtrans-52.7130.9172.800000110.9C166 C227 I228C166-A194 HydrophobicContact CB-CB 4.37Å; C166-A194 WeakPolarHBondContact CB-O 3.3Å; A194-C227 HydrophobicContact CB-CB 4.31Å; A194-I228 CarbonylContact C-O 3.51Å; A194-I228 WeakPolarHBondContact CA-O 3.34Å
195C91.7Very high87.8Confident73 Ų7383 Ų8349%0.49344%0.442SS..  trans-116.1148.6-177.1-71.60000110.6Q193 R197 I228Q193-C195 PolarHBondContact O-N 2.81Å; Q193-C195 PolarHBondContact O-SG 2.87Å; C195-R197 HydrophobicContact CB-CG 4.23Å; C195-R197 PolarHBondContact O-N 3.42Å; C195-R197 VanDerWaalsContact O-N 3.09Å; C195-I228 PolarHBondContact N-O 2.75Å; C195-I228 PolarHBondContact O-N 2.85Å
196C94.8Very high88.3Confident20 Ų2077 Ų7714%0.13543%0.43CS..EExtended strand (participates in β ladder)trans-73.5104.9175.9-176.60000109.9C135 S163 C166C135-C196 WeakPolarHBondContact CA-SG 3.35Å; C135-C196 HydrophobicContact CB-CB 3.71Å; C135-C196 WeakPolarHBondContact CB-SG 3.36Å; C135-C196 WeakPolarHBondContact SG-CA 3.5Å; C135-C196 WeakPolarHBondContact SG-CB 3.32Å; C135-C196 CovalentContact SG-SG 2.04Å; C135-C196 PolarHBondContact SG-SG 3.06Å; S163-C196 PolarHBondContact O-SG 2.87Å; C166-C196 PolarHBondContact SG-N 2.81Å; C166-C196 VanDerWaalsContact SG-N 3.45Å
197R96.7Very high89Confident150 Ų15075 Ų7557%0.56642%0.419SS*.EExtended strand (participates in β ladder)trans-131.1160-175.4-67.4-72-73.8159.2-4.2111.7C195 T199 G226 I228C195-R197 HydrophobicContact CB-CG 4.23Å; C195-R197 PolarHBondContact O-N 3.42Å; C195-R197 VanDerWaalsContact O-N 3.09Å; R197-T199 PolarHBondContact O-N 2.97Å; R197-G226 PolarHBondContact N-O 2.87Å; R197-G226 PolarHBondContact O-N 3.39Å; R197-I228 HydrophobicContact CB-CD1 3.77Å; R197-I228 HydrophobicContact CB-CG1 3.78Å; R197-I228 HydrophobicContact CG-CD1 4.49Å; R197-I228 HydrophobicContact CG-CG1 4.27Å
198P97.9Very high90Very high28 Ų2869.6 Ų69.618%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-64.9126.6173.6-19.532.7000111.1F201 A222 R224P198-F201 HydrophobicContact CB-CD1 4.46Å; P198-F201 HydrophobicContact CB-CE1 3.98Å; P198-F201 HydrophobicContact CB-CZ 4.11Å; P198-F201 HydrophobicContact CG-CE1 4.27Å; P198-A222 HydrophobicContact CB-CB 3.82Å; P198-A222 HydrophobicContact CG-CB 3.82Å; P198-R224 CarbonylContact C-O 3.42Å; P198-R224 VanDerWaalsContact CA-O 3.32Å; P198-R224 WeakPolarHBondContact CA-O 3.48Å
199T97.2Very high91.1Very high72 Ų7267.9 Ų67.944%0.44237%0.371SS..EExtended strand (participates in β ladder)trans-98.5-13.6171.354.70000112R197 R224 I228R197-T199 PolarHBondContact O-N 2.97Å; T199-R224 PolarHBondContact N-O 2.96Å; T199-R224 PolarHBondContact OG1-O 3.18Å; T199-I228 HydrophobicContact CG2-CG2 4.14Å
200A98Very high92.5Very high20 Ų2066.5 Ų66.517%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-147.615216900000109.4K223 R224A200-K223 HydrophobicContact CB-CB 4.19Å; A200-K223 PolarHBondContact O-N 3.11Å; A200-R224 HydrophobicContact CB-CB 4.08Å; A200-R224 HydrophobicContact CB-CG 4.37Å; A200-R224 PolarHBondContact O-N 2.89Å
201F98.5Very high93.7Very high85 Ų8563.1 Ų63.137%0.37336%0.355SS..EExtended strand (participates in β ladder)trans-106.7154.5176.8-62.9-86.8000110.4P198 K219 S221 K223P198-F201 HydrophobicContact CB-CD1 4.46Å; P198-F201 HydrophobicContact CB-CE1 3.98Å; P198-F201 HydrophobicContact CB-CZ 4.11Å; P198-F201 HydrophobicContact CG-CE1 4.27Å; F201-K219 HydrophobicContact CB-CB 4.35Å; F201-K219 HydrophobicContact CB-CG 4.38Å; F201-K219 HydrophobicContact CD1-CB 3.81Å; F201-K219 HydrophobicContact CD1-CG 4.5Å; F201-K219 WeakPolarHBondContact CD1-O 3.42Å; F201-K219 HydrophobicContact CD2-CB 4.14Å; F201-K219 HydrophobicContact CD2-CD 4.29Å; F201-K219 HydrophobicContact CD2-CG 3.97Å; F201-K219 HydrophobicContact CE1-CB 4.11Å; F201-K219 WeakPolarHBondContact CE1-O 3.5Å; F201-K219 HydrophobicContact CE2-CB 4.43Å; F201-K219 HydrophobicContact CE2-CD 4.33Å; F201-K219 HydrophobicContact CE2-CG 4.42Å; F201-K219 HydrophobicContact CG-CB 3.82Å; F201-K219 HydrophobicContact CG-CG 4.02Å; F201-K219 HydrophobicContact CZ-CB 4.41Å; F201-S221 CarbonylContact C-O 3.58Å; F201-S221 WeakPolarHBondContact CA-O 3.46Å; F201-S221 WeakPolarHBondContact CB-O 3.33Å; F201-S221 WeakPolarHBondContact CD1-O 3.19Å; F201-K223 VanDerWaalsContact C-CB 3.45Å; F201-K223 WeakPolarHBondContact O-CB 3.45Å
202D97.8Very high94.7Very high26 Ų2667 Ų6714%0.13937%0.373CS..PPolyproline II helixtrans-71.4170.5169.9-82.2-33.2000110.5R160 S221 K223R160-D202 WeakPolarHBondContact CD-OD2 3.36Å; R160-D202 IonicContact CZ-OD2 2.89Å; R160-D202 IonicContact NE-OD2 2.81Å; R160-D202 IonicContact NH1-OD1 3.51Å; R160-D202 PolarHBondContact NH1-OD1 3.42Å; R160-D202 IonicContact NH1-OD2 3.24Å; R160-D202 PolarHBondContact NH1-OD2 2.81Å; D202-S221 PolarHBondContact N-O 3.24Å; D202-K223 VanDerWaalsContact OD1-CB 3.25Å; D202-K223 WeakPolarHBondContact OD1-CB 3.37Å; D202-K223 WeakPolarHBondContact OD1-CG 3.38Å
203D98.1Very high95.7Very high122 Ų12267.6 Ų67.665%0.65237%0.365SS*.PPolyproline II helixtrans-65.9159.6-176.7-53.4-47.3000111.3L205 H220D203-L205 PolarHBondContact O-N 2.79Å; D203-H220 PolarHBondContact O-CE1 3.4Å
204D97.8Very high96.3Very high79 Ų7969.9 Ų69.942%0.42237%0.369SS..PPolyproline II helixtrans-63.2132.7-179.6-72.4-6.2000110.5I216 L217 R218D204-I216 HydrophobicContact CB-CG2 3.84Å; D204-L217 WeakPolarHBondContact CA-O 3.17Å; D204-R218 WeakPolarHBondContact OD1-CA 3.46Å; D204-R218 WeakPolarHBondContact OD1-CG 3.31Å; D204-R218 WeakPolarHBondContact OD2-CD 3.29Å; D204-R218 WeakPolarHBondContact OD2-CG 3.29Å; D204-R218 IonicContact OD2-CZ 2.6Å; D204-R218 IonicContact OD2-NE 4Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 3.81Å
205L97.1Very high96.7Very high40 Ų4071 Ų7121%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-95.4124.5175.7-179.275.5000108.8V144 L157 D203 F207 I216 L217 H220V144-L205 HydrophobicContact CG2-CD2 4.41Å; L157-L205 HydrophobicContact CB-CD2 3.68Å; L157-L205 HydrophobicContact CD1-CD2 4.11Å; L157-L205 HydrophobicContact CD2-CD2 4.28Å; L157-L205 HydrophobicContact CG-CD2 4.23Å; D203-L205 PolarHBondContact O-N 2.79Å; L205-F207 HydrophobicContact CD2-CD1 4.42Å; L205-I216 CarbonylContact O-C 3.53Å; L205-I216 WeakPolarHBondContact O-CA 3.08Å; L205-L217 HydrophobicContact CB-CB 4.42Å; L205-L217 HydrophobicContact CD2-CD1 4.44Å; L205-L217 PolarHBondContact N-O 2.97Å; L205-L217 VanDerWaalsContact N-O 3.11Å; L205-L217 PolarHBondContact O-N 3.07Å; L205-H220 VanDerWaalsContact CB-CE1 3.45Å; L205-H220 WeakPolarHBondContact CB-CE1 3.47Å
206S96.9Very high96.9Very high69 Ų6971.8 Ų71.848%0.48337%0.369SS..EExtended strand (participates in β ladder)trans-109.5132.2174-53.10000109.5H215S206-H215 VanDerWaalsContact CA-O 3.29Å; S206-H215 WeakPolarHBondContact CA-O 3.29Å
207F96.7Very high97Very high1 Ų171.5 Ų71.50%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-140.6159.4178.762.6-96.2000111.2V144 Y151 T153 E155 L205 Y214 H215 L217V144-F207 HydrophobicContact CG1-CD1 4.21Å; V144-F207 HydrophobicContact CG1-CD2 4.36Å; V144-F207 HydrophobicContact CG1-CE1 3.69Å; V144-F207 HydrophobicContact CG1-CE2 3.9Å; V144-F207 HydrophobicContact CG1-CZ 3.56Å; V144-F207 HydrophobicContact CG2-CD1 4.18Å; V144-F207 HydrophobicContact CG2-CE1 4.43Å; V144-F207 HydrophobicContact CG2-CG 4.4Å; Y151-F207 AromaticContact CD1-CE2 3.9Å; Y151-F207 HydrophobicContact CD1-CE2 3.9Å; Y151-F207 AromaticContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD2-CE2 4.38Å; Y151-F207 AromaticContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CE1-CZ 4.07Å; Y151-F207 AromaticContact CE2-CZ 3.97Å; Y151-F207 HydrophobicContact CE2-CZ 3.97Å; Y151-F207 AromaticContact CG-CE2 3.81Å; Y151-F207 HydrophobicContact CG-CE2 3.81Å; Y151-F207 AromaticContact CG-CZ 3.49Å; Y151-F207 HydrophobicContact CG-CZ 3.49Å; Y151-F207 VanDerWaalsContact CG-CZ 3.49Å; T153-F207 HydrophobicContact CG2-CD2 3.86Å; T153-F207 HydrophobicContact CG2-CE2 3.94Å; E155-F207 HydrophobicContact CB-CB 4.01Å; E155-F207 HydrophobicContact CG-CB 4.02Å; E155-F207 VanDerWaalsContact OE1-CA 3.29Å; E155-F207 WeakPolarHBondContact OE1-CA 3.24Å; E155-F207 WeakPolarHBondContact OE1-CB 3.46Å; E155-F207 VanDerWaalsContact OE2-CA 3.28Å; E155-F207 WeakPolarHBondContact OE2-CA 3.44Å; E155-F207 WeakPolarHBondContact OE2-CB 3.37Å; L205-F207 HydrophobicContact CD2-CD1 4.42Å; F207-Y214 WeakPolarHBondContact O-CA 3.28Å; F207-H215 HydrophobicContact CD2-CB 4.29Å; F207-H215 HydrophobicContact CE1-CB 4.12Å; F207-H215 HydrophobicContact CE2-CB 3.75Å; F207-H215 AromaticContact CE2-CD2 3.95Å; F207-H215 HydrophobicContact CZ-CB 3.64Å; F207-H215 PolarHBondContact N-O 2.93Å; F207-H215 PolarHBondContact O-N 3.16Å; F207-L217 HydrophobicContact CE1-CD1 3.72Å; F207-L217 HydrophobicContact CE1-CG 3.77Å
208L97.1Very high97.1Very high46 Ų4672.8 Ų72.824%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-102.3133173.4-162.171.8000109.6T153 E155 L212 Y214T153-L208 PolarHBondContact OG1-O 2.99Å; E155-L208 PolarHBondContact OE1-N 3.25Å; L208-L212 VanDerWaalsContact CD1-C 3.44Å; L208-L212 WeakPolarHBondContact CD1-O 3.46Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; L208-Y214 HydrophobicContact CB-CE1 4.41Å; L208-Y214 HydrophobicContact CD1-CD1 3.8Å; L208-Y214 HydrophobicContact CD1-CD2 3.67Å; L208-Y214 HydrophobicContact CD1-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE2 3.68Å; L208-Y214 HydrophobicContact CD1-CG 3.74Å
209D96.1Very high97.1Very high20 Ų2078.7 Ų78.711%0.10739%0.394CS..  trans-83.9173173.273.112.4000112.7E152 N211 L212 V213 H215E152-D209 WeakPolarHBondContact O-CB 3.3Å; D209-N211 PolarHBondContact O-N 2.77Å; D209-N211 VanDerWaalsContact O-N 3.15Å; D209-N211 VanDerWaalsContact OD1-C 3.24Å; D209-N211 VanDerWaalsContact OD1-CA 3.3Å; D209-N211 WeakPolarHBondContact OD1-CA 3.33Å; D209-N211 WeakPolarHBondContact OD1-CB 3.29Å; D209-N211 PolarHBondContact OD1-N 2.81Å; D209-L212 PolarHBondContact O-N 3.28Å; D209-L212 PolarHBondContact OD1-N 2.9Å; D209-L212 VanDerWaalsContact OD1-N 3.07Å; D209-V213 PolarHBondContact N-O 3.34Å; D209-V213 WeakPolarHBondContact OD1-CB 3.32Å; D209-V213 PolarHBondContact OD1-N 3.17Å; D209-H215 IonicContact OD2-CD2 3.58Å; D209-H215 IonicContact OD2-CE1 2.77Å; D209-H215 IonicContact OD2-NE2 3.57Å; D209-H215 PolarHBondContact OD2-NE2 3.39Å
210D96.4Very high97.1Very high92 Ų9277.1 Ų77.149%0.49238%0.382SS..THydrogen-bonded Turntrans-63.5-17.4178.9-73.2-19.9000112.6E152 L212E152-D210 PolarHBondContact O-N 3.32Å; D210-L212 VanDerWaalsContact C-N 3.32Å
211N95.6Very high97.1Very high119 Ų11976.3 Ų76.364%0.63638%0.375SS*.THydrogen-bonded Turntrans-91.29.2174.8-60-54.4000113D209 V213D209-N211 PolarHBondContact O-N 2.77Å; D209-N211 VanDerWaalsContact O-N 3.15Å; D209-N211 VanDerWaalsContact OD1-C 3.24Å; D209-N211 VanDerWaalsContact OD1-CA 3.3Å; D209-N211 WeakPolarHBondContact OD1-CA 3.33Å; D209-N211 WeakPolarHBondContact OD1-CB 3.29Å; D209-N211 PolarHBondContact OD1-N 2.81Å; N211-V213 VanDerWaalsContact C-N 3.26Å; N211-V213 HydrophobicContact CB-CG2 4.3Å; N211-V213 PolarHBondContact O-N 3.44Å
212L95.4Very high97.1Very high135 Ų13572.4 Ų72.471%0.70736%0.358SS*.SBendtrans61.830-178.1-51.8172.8000113.7L208 D209 D210L208-L212 VanDerWaalsContact CD1-C 3.44Å; L208-L212 WeakPolarHBondContact CD1-O 3.46Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; D209-L212 PolarHBondContact O-N 3.28Å; D209-L212 PolarHBondContact OD1-N 2.9Å; D209-L212 VanDerWaalsContact OD1-N 3.07Å; D210-L212 VanDerWaalsContact C-N 3.32Å
213V96.9Very high97.1Very high71 Ų7175.8 Ų75.843%0.4337%0.371SS..  trans-101.3130.7174.6-176.20000109.8D209 N211 H215D209-V213 PolarHBondContact N-O 3.34Å; D209-V213 WeakPolarHBondContact OD1-CB 3.32Å; D209-V213 PolarHBondContact OD1-N 3.17Å; N211-V213 VanDerWaalsContact C-N 3.26Å; N211-V213 HydrophobicContact CB-CG2 4.3Å; N211-V213 PolarHBondContact O-N 3.44Å; V213-H215 PolarHBondContact O-CD2 2.82Å; V213-H215 VanDerWaalsContact O-CD2 3.25Å
214Y96.9Very high97.1Very high179 Ų17977.8 Ų77.870%0.70237%0.37SS*.EExtended strand (participates in β ladder)trans-79.6134176.6-77.2-79000111.3F207 L208F207-Y214 WeakPolarHBondContact O-CA 3.28Å; L208-Y214 HydrophobicContact CB-CE1 4.41Å; L208-Y214 HydrophobicContact CD1-CD1 3.8Å; L208-Y214 HydrophobicContact CD1-CD2 3.67Å; L208-Y214 HydrophobicContact CD1-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE2 3.68Å; L208-Y214 HydrophobicContact CD1-CG 3.74Å
215H97.1Very high97Very high43 Ų4375.5 Ų75.520%0.19936%0.36CS..EExtended strand (participates in β ladder)trans-126.3154175.2-61.9-78.5000110.8Y151 S206 F207 D209 V213Y151-H215 HydrophobicContact CD1-CB 4.44Å; Y151-H215 AromaticContact CD1-CG 3.95Å; Y151-H215 HydrophobicContact CE1-CB 3.99Å; Y151-H215 AromaticContact CE1-CE1 3.96Å; Y151-H215 AromaticContact CE1-CG 3.6Å; Y151-H215 AromaticContact CE1-ND1 3.52Å; S206-H215 VanDerWaalsContact CA-O 3.29Å; S206-H215 WeakPolarHBondContact CA-O 3.29Å; F207-H215 HydrophobicContact CD2-CB 4.29Å; F207-H215 HydrophobicContact CE1-CB 4.12Å; F207-H215 HydrophobicContact CE2-CB 3.75Å; F207-H215 AromaticContact CE2-CD2 3.95Å; F207-H215 HydrophobicContact CZ-CB 3.64Å; F207-H215 PolarHBondContact N-O 2.93Å; F207-H215 PolarHBondContact O-N 3.16Å; D209-H215 IonicContact OD2-CD2 3.58Å; D209-H215 IonicContact OD2-CE1 2.77Å; D209-H215 IonicContact OD2-NE2 3.57Å; D209-H215 PolarHBondContact OD2-NE2 3.39Å; V213-H215 PolarHBondContact O-CD2 2.82Å; V213-H215 VanDerWaalsContact O-CD2 3.25Å
216I97.1Very high96.9Very high91 Ų9174.5 Ų74.547%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-131.3120.9-179.4-53.7177000109.8D204 L205 R218D204-I216 HydrophobicContact CB-CG2 3.84Å; L205-I216 CarbonylContact O-C 3.53Å; L205-I216 WeakPolarHBondContact O-CA 3.08Å; I216-R218 HydrophobicContact CG2-CG 4.27Å
217L96.9Very high96.7Very high14 Ų1473 Ų737%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-95.8115.4173.4-68.3176.2000111L147 L149 Y151 D204 L205 F207 H220L147-L217 HydrophobicContact CD1-CD1 3.86Å; L149-L217 HydrophobicContact CD1-CD1 4.24Å; L149-L217 HydrophobicContact CD1-CD2 3.69Å; Y151-L217 HydrophobicContact CE2-CD2 3.92Å; D204-L217 WeakPolarHBondContact CA-O 3.17Å; L205-L217 HydrophobicContact CB-CB 4.42Å; L205-L217 HydrophobicContact CD2-CD1 4.44Å; L205-L217 PolarHBondContact N-O 2.97Å; L205-L217 VanDerWaalsContact N-O 3.11Å; L205-L217 PolarHBondContact O-N 3.07Å; F207-L217 HydrophobicContact CE1-CD1 3.72Å; F207-L217 HydrophobicContact CE1-CG 3.77Å; L217-H220 HydrophobicContact CB-CB 3.91Å; L217-H220 PolarHBondContact O-ND1 2.96Å
218R97.7Very high96.5Very high176 Ų17679.7 Ų79.766%0.66438%0.382SS*.  trans-101.6145.4176.6-56.1-158.8162.3148.33.6111.6D204 I216 H220D204-R218 WeakPolarHBondContact OD1-CA 3.46Å; D204-R218 WeakPolarHBondContact OD1-CG 3.31Å; D204-R218 WeakPolarHBondContact OD2-CD 3.29Å; D204-R218 WeakPolarHBondContact OD2-CG 3.29Å; D204-R218 IonicContact OD2-CZ 2.6Å; D204-R218 IonicContact OD2-NE 4Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 3.81Å; I216-R218 HydrophobicContact CG2-CG 4.27Å; R218-H220 PolarHBondContact O-N 3.15Å
219K97.6Very high96.5Very high153 Ų15381.4 Ų81.467%0.66539%0.389SS*.SBendtrans49.631.9178.2-60.3-179.6179.5175.70113F201F201-K219 HydrophobicContact CB-CB 4.35Å; F201-K219 HydrophobicContact CB-CG 4.38Å; F201-K219 HydrophobicContact CD1-CB 3.81Å; F201-K219 HydrophobicContact CD1-CG 4.5Å; F201-K219 WeakPolarHBondContact CD1-O 3.42Å; F201-K219 HydrophobicContact CD2-CB 4.14Å; F201-K219 HydrophobicContact CD2-CD 4.29Å; F201-K219 HydrophobicContact CD2-CG 3.97Å; F201-K219 HydrophobicContact CE1-CB 4.11Å; F201-K219 WeakPolarHBondContact CE1-O 3.5Å; F201-K219 HydrophobicContact CE2-CB 4.43Å; F201-K219 HydrophobicContact CE2-CD 4.33Å; F201-K219 HydrophobicContact CE2-CG 4.42Å; F201-K219 HydrophobicContact CG-CB 3.82Å; F201-K219 HydrophobicContact CG-CG 4.02Å; F201-K219 HydrophobicContact CZ-CB 4.41Å
220H97.3Very high96.5Very high39 Ų3984.6 Ų84.618%0.18140%0.404CS..  trans-84.8-27.9-172.766.2-82.1000111.4F159 D203 L205 L217 R218F159-H220 WeakPolarHBondContact CE2-O 3.48Å; D203-H220 PolarHBondContact O-CE1 3.4Å; L205-H220 VanDerWaalsContact CB-CE1 3.45Å; L205-H220 WeakPolarHBondContact CB-CE1 3.47Å; L217-H220 HydrophobicContact CB-CB 3.91Å; L217-H220 PolarHBondContact O-ND1 2.96Å; R218-H220 PolarHBondContact O-N 3.15Å
221S97.9Very high96.5Very high3 Ų384.2 Ų84.22%0.02140%0.399CS..SBendtrans-130.3149.5-177.9-167.90000112.9R160 F201 D202R160-S221 WeakPolarHBondContact CA-OG 3.49Å; R160-S221 WeakPolarHBondContact CB-OG 2.9Å; R160-S221 PolarHBondContact N-OG 3.09Å; R160-S221 PolarHBondContact O-OG 3.18Å; R160-S221 VanDerWaalsContact O-OG 3.07Å; F201-S221 CarbonylContact C-O 3.58Å; F201-S221 WeakPolarHBondContact CA-O 3.46Å; F201-S221 WeakPolarHBondContact CB-O 3.33Å; F201-S221 WeakPolarHBondContact CD1-O 3.19Å; D202-S221 PolarHBondContact N-O 3.24Å
222A98.4Very high96.5Very high2 Ų282.1 Ų82.12%0.01739%0.385CS..EExtended strand (participates in β ladder)trans-85.9131.4-177.300000112.5L137 R160 P198L137-A222 HydrophobicContact CD1-CB 3.78Å; L137-A222 WeakPolarHBondContact CD1-O 3.45Å; R160-A222 WeakPolarHBondContact CB-O 3.37Å; R160-A222 PolarHBondContact O-N 2.96Å; P198-A222 HydrophobicContact CB-CB 3.82Å; P198-A222 HydrophobicContact CG-CB 3.82Å
223K98.1Very high96.6Very high98 Ų9878.8 Ų78.843%0.42637%0.365SS..EExtended strand (participates in β ladder)trans-96.3-34.8173.8-172166-171.5162.70112.8L137 A200 F201 D202L137-K223 WeakPolarHBondContact CD2-O 3.35Å; A200-K223 HydrophobicContact CB-CB 4.19Å; A200-K223 PolarHBondContact O-N 3.11Å; F201-K223 VanDerWaalsContact C-CB 3.45Å; F201-K223 WeakPolarHBondContact O-CB 3.45Å; D202-K223 VanDerWaalsContact OD1-CB 3.25Å; D202-K223 WeakPolarHBondContact OD1-CB 3.37Å; D202-K223 WeakPolarHBondContact OD1-CG 3.38Å
224R97.4Very high96.6Very high164 Ų16479.3 Ų79.362%0.61936%0.361SS*.EExtended strand (participates in β ladder)trans-141.2146.7177.7-66.8-172.5-68.2180-1.7110.4P198 T199 A200P198-R224 CarbonylContact C-O 3.42Å; P198-R224 VanDerWaalsContact CA-O 3.32Å; P198-R224 WeakPolarHBondContact CA-O 3.48Å; T199-R224 PolarHBondContact N-O 2.96Å; T199-R224 PolarHBondContact OG1-O 3.18Å; A200-R224 HydrophobicContact CB-CB 4.08Å; A200-R224 HydrophobicContact CB-CG 4.37Å; A200-R224 PolarHBondContact O-N 2.89Å
225C96.9Very high96.6Very high31 Ų3172.2 Ų72.221%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-114.3148.7177.8-58.50000110.8L137 C162L137-C225 WeakPolarHBondContact CD1-SG 3.39Å; C162-C225 WeakPolarHBondContact CA-SG 3.3Å; C162-C225 HydrophobicContact CB-CB 3.74Å; C162-C225 WeakPolarHBondContact CB-SG 3.37Å; C162-C225 WeakPolarHBondContact SG-CA 3.43Å; C162-C225 WeakPolarHBondContact SG-CB 3.43Å; C162-C225 CovalentContact SG-SG 2.03Å; C162-C225 PolarHBondContact SG-SG 2.9Å
226G93.9Very high96.5Very high18 Ų1874.5 Ų74.519%0.18635%0.347CS..EExtended strand (participates in β ladder)trans-156.1164.3173.800000111.4C135 R197C135-G226 PolarHBondContact SG-O 3.06Å; R197-G226 PolarHBondContact N-O 2.87Å; R197-G226 PolarHBondContact O-N 3.39Å
227C93.6Very high96.5Very high39 Ų3973.1 Ų73.126%0.26434%0.337SS..EExtended strand (participates in β ladder)trans-87.7116.3171-62.70000108.4C166 A169 A194C166-C227 WeakPolarHBondContact CA-SG 3.38Å; C166-C227 HydrophobicContact CB-CB 3.65Å; C166-C227 WeakPolarHBondContact CB-SG 3.33Å; C166-C227 WeakPolarHBondContact SG-CA 3.38Å; C166-C227 WeakPolarHBondContact SG-CB 3.26Å; C166-C227 CovalentContact SG-SG 2.03Å; C166-C227 PolarHBondContact SG-SG 3.07Å; A169-C227 HydrophobicContact CB-CB 3.72Å; A194-C227 HydrophobicContact CB-CB 4.31Å
228I92.1Very high96.5Very high140 Ų14078.5 Ų78.572%0.71836%0.361SS*.  trans-138.60-179.161170.5000111.3A194 C195 R197 T199A194-I228 CarbonylContact C-O 3.51Å; A194-I228 WeakPolarHBondContact CA-O 3.34Å; C195-I228 PolarHBondContact N-O 2.75Å; C195-I228 PolarHBondContact O-N 2.85Å; R197-I228 HydrophobicContact CB-CD1 3.77Å; R197-I228 HydrophobicContact CB-CG1 3.78Å; R197-I228 HydrophobicContact CG-CD1 4.49Å; R197-I228 HydrophobicContact CG-CG1 4.27Å; T199-I228 HydrophobicContact CG2-CG2 4.14Å

Retrieved 228 of 228 residues in 31.8 ms (Link to these results)