X5D9M6_HUMAN Loading...

Contactin associated protein-like 2 isoform E

AlphaFold DB , UniProt , Accession X5D9M6, Species HUMAN (Homo sapiens, Human), Gene CNTNAP2, Length 139 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
1M31.6Very low35.2Very low235 Ų235135.7 Ų135.7100%1.15887%0.874SS**  0133.10-76.5172.817500108
2Q26.6Very low35.5Very low196 Ų196132.3 Ų132.392%0.91687%0.866SS**  trans61.5141.2178.9-92.2124.85.900118.3
3A26.9Very low36.1Very low93 Ų93134.4 Ų134.477%0.76986%0.864SS**  cis-160.8159.2-5.200000109.6
4A34.2Very low36.4Very low88 Ų88136.4 Ų136.473%0.72786%0.863SS**  trans-76176.2-178.200000114.7
5P34Very low36.8Very low134 Ų134136.6 Ų136.687%0.8785%0.854SS**  -123.1144.811534.5-29.1000113.6
6R36.4Very low36.8Very low247 Ų247143.8 Ų143.893%0.93286%0.86SS**  trans-76.2133175.2-69.6174.5167.9179-4.5109.9
7A41.7Very low37.5Very low107 Ų107143.8 Ų143.888%0.88485%0.853SS**  trans-111110.4156.700000107.8
8G38.4Very low38Very low77 Ų77143.1 Ų143.179%0.79485%0.85SS**  trans-80.1138.3168.700000110
9C39.4Very low38.5Very low138 Ų138140.9 Ų140.993%0.93284%0.843SS**  trans-137.599.2156.4-112.70000106.6
10G38.2Very low38.9Very low80 Ų80138.8 Ų138.883%0.82584%0.835SS**  trans-86.8131.5162.700000108.8
11A40Very low39.4Very low98 Ų98138.3 Ų138.381%0.8184%0.836SS**  trans-162.1112153.500000110.5
12A38.8Very low40.3Very low94 Ų94134.1 Ų134.178%0.77782%0.818SS**  trans43.8110.114100000119.8L14A12-L14 PolarHBondContact O-N 3.39Å
13L42.8Very low41.1Very low160 Ų160130.3 Ų130.384%0.83881%0.812SS**  trans-60.8117.9149.8-113.8110.2000109.5
14L40.8Very low42Very low163 Ų163136.7 Ų136.785%0.85382%0.816SS**  trans-143.2110.7148.9-84.1174.7000108.4A12A12-L14 PolarHBondContact O-N 3.39Å
15L41.8Very low42.8Very low139 Ų139136.4 Ų136.473%0.72881%0.813SS**  trans-75.3127.4172.3-85.7154.4000110
16W36.6Very low43.3Very low252 Ų252141.7 Ų141.796%0.95582%0.816SS**  trans-146.5125.2143.6-80.890.4000110.2
17I49.6Very low44.4Very low144 Ų144136.1 Ų136.174%0.73881%0.81SS**  trans-72.8136.5174-50.5169.6000106
18V46.2Very low45.1Very low130 Ų130135.4 Ų135.479%0.78880%0.804SS**  179.3145.476.8178.20000106.3
19S48.3Very low45.8Very low103 Ų103137.5 Ų137.572%0.7280%0.804SS**  trans131.1119.6140.4-158.90000114.8
20S46Very low46.4Very low98 Ų98135.9 Ų135.969%0.68579%0.794SS**  trans62.4102.6167.237.90000117.3L22S20-L22 PolarHBondContact O-N 3.38Å
21C48.4Very low47.1Very low128 Ų128138.1 Ų138.187%0.86579%0.791SS**  trans-4595.2155.5-103.10000111.2
22L51.8Low48Very low148 Ų148138.3 Ų138.378%0.77579%0.787SS**  trans-121.773.7151.4-76.5164000106.3S20 R24S20-L22 PolarHBondContact O-N 3.38Å; L22-R24 PolarHBondContact O-N 3.26Å
23C42Very low49.2Very low116 Ų116142 Ų14278%0.78479%0.788SS**  trans-59.386.4146.4-68.50000105.8A25C23-A25 PolarHBondContact O-N 2.89Å
24R47.6Very low50.9Low227 Ų227142.4 Ų142.486%0.85778%0.783SS**  trans-6485.8149.8-90.6-174.9165.2-132.8-0.8104.4L22 W26L22-R24 PolarHBondContact O-N 3.26Å; R24-W26 PolarHBondContact O-N 3.13Å
25A50.5Low52.9Low81 Ų81136.9 Ų136.967%0.66976%0.757SS**  trans-46.9112.7166.100000105.4C23 T27C23-A25 PolarHBondContact O-N 2.89Å; A25-T27 PolarHBondContact O-N 2.99Å
26W44.6Very low55.1Low245 Ų245136.2 Ų136.293%0.92876%0.755SS**  trans-53.9112.9162.4-83.822.8000105.5R24 A28R24-W26 PolarHBondContact O-N 3.13Å; W26-A28 PolarHBondContact O-N 3.18Å
27T58.3Low57.6Low131 Ų131131.6 Ų131.680%0.80474%0.744SS**  trans-54.3110.4168.545.30000106.4A25 P29A25-T27 PolarHBondContact O-N 2.99Å; T27-P29 WeakPolarHBondContact O-CD 3.22Å
28A57.8Low59.7Low91 Ų91128.7 Ų128.775%0.75273%0.734SS**  trans-55.3125.6174.200000108.5W26 S30W26-A28 PolarHBondContact O-N 3.18Å; A28-S30 PolarHBondContact O-N 3.2Å
29P52.2Low62Low122 Ų122125.5 Ų125.579%0.79271%0.712SS**  trans-67.1127174.4-15.228.7000109.6T27T27-P29 WeakPolarHBondContact O-CD 3.22Å
30S51.3Low64.1Low104 Ų104122.5 Ų122.573%0.72769%0.689SS**  trans32.1110.8166.660.90000116.9A28 S32A28-S30 PolarHBondContact O-N 3.2Å; S30-S32 PolarHBondContact O-N 2.79Å
31T53.8Low66.2Low126 Ų126121 Ų12177%0.77368%0.679SS**  trans-42.6115.6151.350.40000108.9Q33T31-Q33 PolarHBondContact O-N 2.66Å
32S58.1Low68.2Low102 Ų102118.5 Ų118.571%0.71368%0.675SS**  trans-46.5110.6162.9175.80000107.1S30 K34S30-S32 PolarHBondContact O-N 2.79Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.96Å
33Q65.2Low70.3Confident171 Ų171112.9 Ų112.980%0.79965%0.646SS**  trans-67.795.6178.8-75.9-157-46.400107.4T31 C35T31-Q33 PolarHBondContact O-N 2.66Å; Q33-C35 PolarHBondContact O-N 2.95Å; Q33-C35 PolarHBondContact O-SG 3.42Å
34K78Confident72.9Confident169 Ų169111 Ų11174%0.73563%0.632SS**  trans-64.7120.3174.8-72-174.6177.4-1790108.5S32 D36S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.96Å; K34-D36 VanDerWaalsContact C-N 3.32Å; K34-D36 PolarHBondContact O-N 2.83Å
35C83.4Confident75.2Confident47 Ų47104.4 Ų104.432%0.31861%0.611SS.*  trans-9952.1-179.3-64.70000110.2Q33 S96Q33-C35 PolarHBondContact O-N 2.95Å; Q33-C35 PolarHBondContact O-SG 3.42Å; C35-S96 PolarHBondContact O-OG 3.11Å
36D87.8Confident77.4Confident126 Ų126107 Ų10767%0.67462%0.618SS**  trans-109-2.2-172.8-57.3-36.8000112.8K34K34-D36 VanDerWaalsContact C-N 3.32Å; K34-D36 PolarHBondContact O-N 2.83Å
37E89.9Confident79.9Confident155 Ų15596 Ų9672%0.72458%0.58SS**SBendtrans-72.9133.2-177-70.5-60.3147.300112.4L39E37-L39 PolarHBondContact O-N 3.31Å; E37-L39 VanDerWaalsContact O-N 3.16Å
38P92.4Very high81.8Confident82 Ų8290.4 Ų90.453%0.53254%0.544SS..  trans-72.7111.5-178.529.5-34.4000111.4V40 S41P38-V40 PolarHBondContact O-N 2.79Å; P38-S41 WeakPolarHBondContact CB-OG 3.44Å
39L93.9Very high83.7Confident63 Ų6388.8 Ų88.833%0.3353%0.527SS..THydrogen-bonded Turntrans-71.6-23.5-173-59.5179.3000114.8E37 F89 K93 I95E37-L39 PolarHBondContact O-N 3.31Å; E37-L39 VanDerWaalsContact O-N 3.16Å; L39-F89 HydrophobicContact CB-CD1 4.18Å; L39-F89 HydrophobicContact CB-CE1 3.61Å; L39-F89 HydrophobicContact CB-CZ 4.33Å; L39-F89 HydrophobicContact CD1-CE1 4.32Å; L39-F89 HydrophobicContact CD1-CZ 4.43Å; L39-K93 HydrophobicContact CD1-CB 4.07Å; L39-K93 HydrophobicContact CD1-CG 4.44Å; L39-I95 HydrophobicContact CD1-CG1 4.24Å
40V93.7Very high85.9Confident40 Ų4084 Ų8424%0.24250%0.496CS..THydrogen-bonded Turntrans-94.1-15.5-171.1-60.30000114.5P38 G42 L43 F48 V87 F89P38-V40 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 2.89Å; V40-L43 PolarHBondContact O-N 2.88Å; V40-F48 HydrophobicContact CB-CZ 4.2Å; V40-V87 HydrophobicContact CG1-CG1 4.31Å; V40-F89 HydrophobicContact CG1-CE1 4.18Å
41S89.9Confident88.1Confident66 Ų6681.1 Ų81.146%0.46248%0.476SS..THydrogen-bonded Turntrans-61.2-41.4-171.8-55.70000112.8P38P38-S41 WeakPolarHBondContact CB-OG 3.44Å
42G90.9Very high90.2Very high76 Ų7676.4 Ų76.478%0.78445%0.448SS*.THydrogen-bonded Turntrans-92-3.2-176.200000115.5V40V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 2.89Å
43L95.2Very high92.1Very high31 Ų3173.4 Ų73.416%0.16243%0.427CS..  trans-76.3142.2-175.3-63.6179000111.9V40 A47 F48 K64 V87 F89V40-L43 PolarHBondContact O-N 2.88Å; L43-A47 HydrophobicContact CB-CB 3.97Å; L43-A47 HydrophobicContact CD1-CB 4.38Å; L43-F48 HydrophobicContact CB-CE2 3.77Å; L43-F48 HydrophobicContact CB-CZ 4.16Å; L43-F48 HydrophobicContact CD1-CZ 4.32Å; L43-K64 VanDerWaalsContact O-CE 3.24Å; L43-K64 WeakPolarHBondContact O-CE 3.46Å; L43-K64 PolarHBondContact O-NZ 3.09Å; L43-V87 HydrophobicContact CD1-CG1 3.5Å; L43-V87 VanDerWaalsContact CD1-CG1 3.5Å; L43-F89 HydrophobicContact CD1-CD1 3.75Å; L43-F89 HydrophobicContact CD1-CE1 3.9Å
44P96.1Very high93.5Very high77 Ų7769.9 Ų69.950%0.541%0.413SS..  trans-71.1163.3173.932.4-36.6000111.3V46 A47 F48P44-V46 HydrophobicContact CB-CG2 4.03Å; P44-V46 HydrophobicContact CG-CG2 3.76Å; P44-V46 PolarHBondContact O-N 2.79Å; P44-A47 HydrophobicContact CG-CB 4.31Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.32Å; P44-A47 PolarHBondContact O-N 2.96Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å; P44-F48 WeakPolarHBondContact O-CE2 3.38Å
45H96.3Very high94.4Very high88 Ų8864.4 Ų64.441%0.40740%0.396SS..G310 helixtrans-58.1-32.8178.8-81.8-148.8000113A47 F48 G61 Y62H45-A47 PolarHBondContact O-N 3.38Å; H45-F48 PolarHBondContact O-N 3.37Å; H45-G61 PolarHBondContact CD2-O 3.1Å; H45-G61 PolarHBondContact NE2-O 2.86Å; H45-Y62 AromaticContact CE1-CD1 3.7Å; H45-Y62 AromaticContact CE1-CE1 3.47Å; H45-Y62 VanDerWaalsContact CE1-CE1 3.47Å; H45-Y62 WeakPolarHBondContact CE1-CE1 3.19Å; H45-Y62 AromaticContact CE1-CZ 3.95Å
46V97Very high95Very high136 Ų13664.9 Ų64.982%0.82441%0.409SS*.G310 helixtrans-66.7-15179.7-58.70000113.7P44 F48P44-V46 HydrophobicContact CB-CG2 4.03Å; P44-V46 HydrophobicContact CG-CG2 3.76Å; P44-V46 PolarHBondContact O-N 2.79Å; V46-F48 PolarHBondContact O-N 3.35Å
47A97.7Very high95.4Very high14 Ų1461.9 Ų61.912%0.11640%0.398CS..G310 helixtrans-75.6-8.6173.400000112.7L43 P44 H45 V87 D88L43-A47 HydrophobicContact CB-CB 3.97Å; L43-A47 HydrophobicContact CD1-CB 4.38Å; P44-A47 HydrophobicContact CG-CB 4.31Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.32Å; P44-A47 PolarHBondContact O-N 2.96Å; H45-A47 PolarHBondContact O-N 3.38Å; A47-V87 CarbonylContact O-C 3.59Å; A47-V87 WeakPolarHBondContact O-CA 3.49Å; A47-D88 WeakPolarHBondContact CB-O 3.46Å; A47-D88 PolarHBondContact O-N 3.14Å
48F98.2Very high95.7Very high13 Ų1356.8 Ų56.86%0.05737%0.372CS..EExtended strand (participates in β ladder)trans-112.4132.1-177.5-59.5-103000109.8V40 L43 P44 H45 V46 P60 K64 Q86 V87V40-F48 HydrophobicContact CB-CZ 4.2Å; L43-F48 HydrophobicContact CB-CE2 3.77Å; L43-F48 HydrophobicContact CB-CZ 4.16Å; L43-F48 HydrophobicContact CD1-CZ 4.32Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å; P44-F48 WeakPolarHBondContact O-CE2 3.38Å; H45-F48 PolarHBondContact O-N 3.37Å; V46-F48 PolarHBondContact O-N 3.35Å; F48-P60 HydrophobicContact CB-CB 3.95Å; F48-P60 WeakPolarHBondContact CB-O 3.36Å; F48-K64 HydrophobicContact CZ-CG 4.07Å; F48-Q86 WeakPolarHBondContact CA-O 3.38Å; F48-V87 HydrophobicContact CD1-CG1 4.33Å; F48-V87 HydrophobicContact CD1-CG2 3.71Å; F48-V87 HydrophobicContact CE1-CB 4.48Å; F48-V87 HydrophobicContact CE1-CG1 4Å; F48-V87 HydrophobicContact CE1-CG2 3.7Å; F48-V87 HydrophobicContact CZ-CG1 4.26Å
49S97.8Very high96Very high57 Ų5754.2 Ų54.240%0.39936%0.356SS..EExtended strand (participates in β ladder)trans-133.9161.7176-1690000109.8Q86S49-Q86 PolarHBondContact N-O 2.87Å; S49-Q86 PolarHBondContact O-N 3.18Å
50S97.9Very high96.1Very high20 Ų2052 Ų5214%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-149.8166.1178.957.10000112S52 P60 W74 W84S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact OG-O 2.99Å; S50-P60 WeakPolarHBondContact OG-CG 3.47Å; S50-W74 VanDerWaalsContact CB-NE1 3.27Å; S50-W74 PolarHBondContact OG-NE1 2.92Å; S50-W84 VanDerWaalsContact C-CZ3 3.46Å; S50-W84 CarbonylContact C-O 3.55Å; S50-W84 WeakPolarHBondContact CA-O 3.5Å; S50-W84 WeakPolarHBondContact CB-O 3.24Å; S50-W84 WeakPolarHBondContact O-CH2 3.45Å
51S97.6Very high96.3Very high44 Ų4450.3 Ų50.331%0.30834%0.336SS..SBendtrans-58.2-45170.350.10000111.9Q83 W84S51-Q83 WeakPolarHBondContact OG-CA 3.5Å; S51-Q83 PolarHBondContact OG-OE1 3.07Å; S51-W84 PolarHBondContact N-O 3.19Å; S51-W84 PolarHBondContact OG-N 3.19Å; S51-W84 VanDerWaalsContact OG-N 3.11Å
52S97.9Very high96.6Very high27 Ų2750.3 Ų50.319%0.18933%0.327CS..  trans-159.1174.7-176.266.50000110.6S50 W74 P76 S77 Q83S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact OG-O 2.99Å; S52-W74 PolarHBondContact O-NE1 3.39Å; S52-P76 WeakPolarHBondContact OG-CA 3.39Å; S52-P76 WeakPolarHBondContact OG-CB 3.42Å; S52-S77 PolarHBondContact OG-N 3.44Å; S52-Q83 PolarHBondContact OG-OE1 3.13Å
53S97.3Very high96.8Very high39 Ų3948.2 Ų48.227%0.27330%0.302SS..  trans-154137.517158.70000109.9S55 S75 S77S53-S55 PolarHBondContact O-N 3.05Å; S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.35Å; S53-S77 VanDerWaalsContact C-OG 3.25Å; S53-S77 PolarHBondContact O-OG 2.66Å; S53-S77 VanDerWaalsContact O-OG 3.08Å
54I95.6Very high96.7Very high97 Ų9748.7 Ų48.750%0.49730%0.303SS..SBendtrans-50.6-45.8179.9-61.7177.6000111.8Y58 S75 P76I54-Y58 HydrophobicContact CB-CD2 3.85Å; I54-Y58 HydrophobicContact CB-CE2 4.32Å; I54-Y58 HydrophobicContact CB-CG 3.97Å; I54-Y58 HydrophobicContact CD1-CD1 4.23Å; I54-Y58 HydrophobicContact CD1-CE1 4.23Å; I54-Y58 HydrophobicContact CG2-CD2 4.11Å; I54-Y58 HydrophobicContact CG2-CE2 4.13Å; I54-S75 PolarHBondContact N-O 3.45Å; I54-P76 WeakPolarHBondContact CG1-O 3.37Å
55S96.3Very high96.5Very high54 Ų5448.1 Ų48.138%0.37830%0.295SS..SBendtrans-159178.4172.377.20000110.2S53 S57 Y58 S59S53-S55 PolarHBondContact O-N 3.05Å; S55-S57 PolarHBondContact O-N 3.27Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S55-Y58 CarbonylContact O-C 3.53Å; S55-Y58 WeakPolarHBondContact O-CA 3.45Å; S55-Y58 PolarHBondContact O-N 2.85Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.22Å; S55-S59 PolarHBondContact O-N 2.98Å
56G96.6Very high96.3Very high58 Ų5850 Ų5060%0.59831%0.308SS*.G310 helixtrans-55.8-32.1178.900000114Y58 S59G56-Y58 PolarHBondContact O-N 3.19Å; G56-S59 WeakPolarHBondContact O-CB 3.16Å; G56-S59 PolarHBondContact O-N 2.83Å; G56-S59 PolarHBondContact O-OG 2.77Å; G56-S59 VanDerWaalsContact O-OG 3.13Å
57S96.1Very high96Very high62 Ų6249.5 Ų49.543%0.43429%0.294SS..G310 helixtrans-69.7-17.2175.9-59.30000113.4S55 Y62 G70 A71S55-S57 PolarHBondContact O-N 3.27Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S57-Y62 VanDerWaalsContact O-CD2 3.32Å; S57-Y62 WeakPolarHBondContact O-CD2 3.17Å; S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.18Å; S57-A71 PolarHBondContact O-N 2.7Å
58Y96Very high95.8Very high48 Ų4857 Ų5719%0.18832%0.32CS..G310 helixtrans-103.616.9175.5-62.1-96.7000112.1I54 S55 G56 A71 W74 S75 R103I54-Y58 HydrophobicContact CB-CD2 3.85Å; I54-Y58 HydrophobicContact CB-CE2 4.32Å; I54-Y58 HydrophobicContact CB-CG 3.97Å; I54-Y58 HydrophobicContact CD1-CD1 4.23Å; I54-Y58 HydrophobicContact CD1-CE1 4.23Å; I54-Y58 HydrophobicContact CG2-CD2 4.11Å; I54-Y58 HydrophobicContact CG2-CE2 4.13Å; S55-Y58 CarbonylContact O-C 3.53Å; S55-Y58 WeakPolarHBondContact O-CA 3.45Å; S55-Y58 PolarHBondContact O-N 2.85Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.22Å; G56-Y58 PolarHBondContact O-N 3.19Å; Y58-A71 HydrophobicContact CD1-CB 3.78Å; Y58-A71 HydrophobicContact CD2-CB 3.99Å; Y58-A71 HydrophobicContact CE1-CB 3.52Å; Y58-A71 HydrophobicContact CE2-CB 3.71Å; Y58-A71 HydrophobicContact CG-CB 4.01Å; Y58-A71 VanDerWaalsContact CZ-CB 3.46Å; Y58-W74 WeakPolarHBondContact O-CA 3.33Å; Y58-S75 PolarHBondContact O-N 3.11Å; Y58-R103 VanDerWaalsContact CE1-CZ 3.43Å
59S97.3Very high95.5Very high28 Ų2858 Ų5820%0.19633%0.333CS..  trans-59.7152.2-177.265.30000112.6S55 G56 G61 Y62S55-S59 PolarHBondContact O-N 2.98Å; G56-S59 WeakPolarHBondContact O-CB 3.16Å; G56-S59 PolarHBondContact O-N 2.83Å; G56-S59 PolarHBondContact O-OG 2.77Å; G56-S59 VanDerWaalsContact O-OG 3.13Å; S59-G61 PolarHBondContact O-N 3.08Å; S59-G61 VanDerWaalsContact O-N 3.1Å; S59-Y62 PolarHBondContact O-N 2.97Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.47Å; S59-Y62 VanDerWaalsContact OG-CE2 3.23Å; S59-Y62 WeakPolarHBondContact OG-CE2 3.47Å
60P97.6Very high95.3Very high18 Ų1857.1 Ų57.112%0.11733%0.334CS..G310 helixtrans-58.9-25.6-177.523.5-36.1000113.8F48 S50 Y62 A63 L85F48-P60 HydrophobicContact CB-CB 3.95Å; F48-P60 WeakPolarHBondContact CB-O 3.36Å; S50-P60 WeakPolarHBondContact OG-CG 3.47Å; P60-Y62 PolarHBondContact O-N 2.9Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; P60-A63 WeakPolarHBondContact O-CB 3.49Å; P60-A63 PolarHBondContact O-N 2.82Å; P60-L85 HydrophobicContact CB-CD1 3.46Å; P60-L85 VanDerWaalsContact CB-CD1 3.46Å
61G97.2Very high95.1Very high3 Ų357.3 Ų57.33%0.03134%0.336CS..G310 helixtrans-60.5-19.5175.500000114.6H45 S59H45-G61 PolarHBondContact CD2-O 3.1Å; H45-G61 PolarHBondContact NE2-O 2.86Å; S59-G61 PolarHBondContact O-N 3.08Å; S59-G61 VanDerWaalsContact O-N 3.1Å
62Y96.2Very high94.9Very high67 Ų6755.6 Ų55.626%0.26333%0.326SS..G310 helixtrans-86.4-0.8175.2-62.8-62.5000114H45 S57 S59 P60 K64 G69H45-Y62 AromaticContact CE1-CD1 3.7Å; H45-Y62 AromaticContact CE1-CE1 3.47Å; H45-Y62 VanDerWaalsContact CE1-CE1 3.47Å; H45-Y62 WeakPolarHBondContact CE1-CE1 3.19Å; H45-Y62 AromaticContact CE1-CZ 3.95Å; S57-Y62 VanDerWaalsContact O-CD2 3.32Å; S57-Y62 WeakPolarHBondContact O-CD2 3.17Å; S59-Y62 PolarHBondContact O-N 2.97Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.47Å; S59-Y62 VanDerWaalsContact OG-CE2 3.23Å; S59-Y62 WeakPolarHBondContact OG-CE2 3.47Å; P60-Y62 PolarHBondContact O-N 2.9Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; Y62-K64 PolarHBondContact O-N 2.99Å; Y62-G69 WeakPolarHBondContact CD1-O 3.22Å; Y62-G69 VanDerWaalsContact CE1-C 3.5Å
63A95.3Very high94.7Very high32 Ų3254.7 Ų54.726%0.26432%0.321SS..  trans-75.230.3-177.500000115P60 W74 L85P60-A63 WeakPolarHBondContact O-CB 3.49Å; P60-A63 PolarHBondContact O-N 2.82Å; A63-W74 HydrophobicContact CB-CB 3.85Å; A63-L85 HydrophobicContact CB-CD1 4.01Å; A63-L85 HydrophobicContact CB-CD2 3.46Å; A63-L85 VanDerWaalsContact CB-CD2 3.46Å; A63-L85 HydrophobicContact CB-CG 4.38Å
64K93.9Very high94.6Very high41 Ų4155.2 Ų55.218%0.17832%0.316CS..  trans-90.9133.7178.1-65.4179.3-177.3-179.20110.3L43 F48 Y62 K67L43-K64 VanDerWaalsContact O-CE 3.24Å; L43-K64 WeakPolarHBondContact O-CE 3.46Å; L43-K64 PolarHBondContact O-NZ 3.09Å; F48-K64 HydrophobicContact CZ-CG 4.07Å; Y62-K64 PolarHBondContact O-N 2.99Å; K64-K67 HydrophobicContact CB-CB 4.31Å; K64-K67 HydrophobicContact CB-CG 3.73Å; K64-K67 PolarHBondContact O-N 3.18Å
65I91.8Very high94.7Very high65 Ų6551.4 Ų51.433%0.33330%0.298SS..THydrogen-bonded Turntrans-61.9144.5179.3-150.4170.9000111.3K67 A99 Q101I65-K67 PolarHBondContact O-N 3.39Å; I65-A99 HydrophobicContact CD1-CB 3.61Å; I65-Q101 HydrophobicContact CD1-CB 4.4Å; I65-Q101 HydrophobicContact CG1-CB 3.91Å
66N90.9Very high94.7Very high127 Ų12750.3 Ų50.368%0.67929%0.29SS*.THydrogen-bonded Turntrans56.929.4179.3-61-45.7000114.4
67K91.1Very high94.7Very high125 Ų12550.7 Ų50.754%0.54328%0.284SS..  trans-113.7155.1173.2-60-58.7-179.6-177.50111K64 I65K64-K67 HydrophobicContact CB-CB 4.31Å; K64-K67 HydrophobicContact CB-CG 3.73Å; K64-K67 PolarHBondContact O-N 3.18Å; I65-K67 PolarHBondContact O-N 3.39Å
68R92.5Very high94.6Very high173 Ų17352.2 Ų52.265%0.65329%0.287SS*.  trans-119.817178.8-57-175.9-176.6-176.30.2112.5Y104R68-Y104 HydrophobicContact CB-CD1 4.41Å; R68-Y104 HydrophobicContact CG-CD1 4.06Å; R68-Y104 HydrophobicContact CG-CD2 4.06Å; R68-Y104 HydrophobicContact CG-CE1 4.41Å; R68-Y104 HydrophobicContact CG-CE2 4.43Å; R68-Y104 HydrophobicContact CG-CG 3.87Å; R68-Y104 VanDerWaalsContact CZ-CE2 3.44Å; R68-Y104 VanDerWaalsContact CZ-CZ 3.46Å; R68-Y104 VanDerWaalsContact NE-CE2 3.34Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.12Å
69G92.3Very high94.4Very high33 Ų3356.3 Ų56.334%0.3432%0.323SS..  trans-67.2153.1179.800000111.7Y62 G72Y62-G69 WeakPolarHBondContact CD1-O 3.22Å; Y62-G69 VanDerWaalsContact CE1-C 3.5Å; G69-G72 WeakPolarHBondContact O-CA 3.45Å; G69-G72 PolarHBondContact O-N 3.4Å
70G93.4Very high94.3Very high39 Ų3958.4 Ų58.440%0.40233%0.332SS..THydrogen-bonded Turntrans63.2-137.7-178.200000111S57 G72S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.18Å; G70-G72 PolarHBondContact O-N 3.35Å
71A93.8Very high94Very high24 Ų2466.6 Ų66.620%0.19837%0.368CS..THydrogen-bonded Turntrans-80.319170.200000112.1S57 Y58 R103S57-A71 PolarHBondContact O-N 2.7Å; Y58-A71 HydrophobicContact CD1-CB 3.78Å; Y58-A71 HydrophobicContact CD2-CB 3.99Å; Y58-A71 HydrophobicContact CE1-CB 3.52Å; Y58-A71 HydrophobicContact CE2-CB 3.71Å; Y58-A71 HydrophobicContact CG-CB 4.01Å; Y58-A71 VanDerWaalsContact CZ-CB 3.46Å; A71-R103 WeakPolarHBondContact O-CD 3.2Å; A71-R103 WeakPolarHBondContact O-CG 3.23Å; A71-R103 PolarHBondContact O-NH1 2.99Å
72G93.3Very high93.9Very high8 Ų875.5 Ų75.58%0.08240%0.402CS..THydrogen-bonded Turntrans92.78.2177.700000115.4G69 G70 R103 Y104G69-G72 WeakPolarHBondContact O-CA 3.45Å; G69-G72 PolarHBondContact O-N 3.4Å; G70-G72 PolarHBondContact O-N 3.35Å; G72-R103 WeakPolarHBondContact O-CG 3.36Å; G72-Y104 PolarHBondContact O-N 2.8Å
73G94.6Very high94Very high8 Ų874.5 Ų74.58%0.08240%0.4CS..SBendtrans155.3-178.5-177.600000113
74W95.9Very high94.1Very high49 Ų4978.4 Ų78.419%0.18641%0.408CS..  trans-84.4146.2172.7168.973000111.5S50 S52 Y58 A63 P76 W84 L85S50-W74 VanDerWaalsContact CB-NE1 3.27Å; S50-W74 PolarHBondContact OG-NE1 2.92Å; S52-W74 PolarHBondContact O-NE1 3.39Å; Y58-W74 WeakPolarHBondContact O-CA 3.33Å; A63-W74 HydrophobicContact CB-CB 3.85Å; W74-P76 HydrophobicContact CH2-CB 4.25Å; W74-P76 HydrophobicContact CH2-CG 4.08Å; W74-P76 HydrophobicContact CZ2-CB 3.79Å; W74-P76 HydrophobicContact CZ2-CG 4.08Å; W74-W84 WeakPolarHBondContact CZ2-O 3.26Å; W74-L85 HydrophobicContact CD2-CB 4.29Å; W74-L85 HydrophobicContact CD2-CD1 4.07Å; W74-L85 HydrophobicContact CE3-CB 3.95Å; W74-L85 HydrophobicContact CE3-CD1 4.39Å; W74-L85 HydrophobicContact CE3-CD2 4.11Å; W74-L85 HydrophobicContact CE3-CG 4.38Å; W74-L85 HydrophobicContact CG-CD1 4.15Å; W74-L85 HydrophobicContact CH2-CB 3.96Å; W74-L85 HydrophobicContact CZ2-CB 4.3Å; W74-L85 HydrophobicContact CZ3-CB 3.79Å
75S96Very high94.3Very high17 Ų1779.7 Ų79.712%0.11942%0.416CS..  trans-148.8128.5167.4-57.10000109.8S53 I54 Y58S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.35Å; I54-S75 PolarHBondContact N-O 3.45Å; Y58-S75 PolarHBondContact O-N 3.11Å
76P96.4Very high94.5Very high31 Ų3179.1 Ų79.120%0.20141%0.412CS..  trans-68.9162.4175.630.6-34.8000111.4S52 I54 W74 D78 Q83S52-P76 WeakPolarHBondContact OG-CA 3.39Å; S52-P76 WeakPolarHBondContact OG-CB 3.42Å; I54-P76 WeakPolarHBondContact CG1-O 3.37Å; W74-P76 HydrophobicContact CH2-CB 4.25Å; W74-P76 HydrophobicContact CH2-CG 4.08Å; W74-P76 HydrophobicContact CZ2-CB 3.79Å; W74-P76 HydrophobicContact CZ2-CG 4.08Å; P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 VanDerWaalsContact CG-O 3.31Å; P76-D78 WeakPolarHBondContact CG-O 3.5Å; P76-Q83 HydrophobicContact CB-CB 3.84Å; P76-Q83 HydrophobicContact CB-CG 3.67Å; P76-Q83 HydrophobicContact CG-CB 3.98Å; P76-Q83 HydrophobicContact CG-CG 3.92Å
77S96.4Very high94.9Very high67 Ų6775.1 Ų75.147%0.46939%0.392SS..SBendtrans-70.8-31177.6-58.40000112.9S52 S53S52-S77 PolarHBondContact OG-N 3.44Å; S53-S77 VanDerWaalsContact C-OG 3.25Å; S53-S77 PolarHBondContact O-OG 2.66Å; S53-S77 VanDerWaalsContact O-OG 3.08Å
78D95.3Very high95.1Very high94 Ų9473.7 Ų73.750%0.50339%0.39SS..SBendtrans-115.7155.9179.7-57.7-61000110.9P76 Q83P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 VanDerWaalsContact CG-O 3.31Å; P76-D78 WeakPolarHBondContact CG-O 3.5Å; D78-Q83 WeakPolarHBondContact O-CG 3.39Å
79S91.8Very high95.3Very high134 Ų13467.6 Ų67.694%0.93737%0.369SS*.  trans-103.325.4-178.8-59.90000113.7
80D93.8Very high95.4Very high72 Ų7268.9 Ų68.939%0.38538%0.382SS..SBendtrans-85.7178.1-179.572.923.5000113.4Y82 Q83D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 HydrophobicContact CB-CD2 4.42Å; D80-Y82 PolarHBondContact O-N 3.42Å; D80-Y82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.5Å; D80-Y82 PolarHBondContact OD1-N 3.37Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.33Å; D80-Q83 PolarHBondContact OD1-N 3.16Å; D80-Q83 PolarHBondContact OD1-NE2 3.31Å
81H92.9Very high95.4Very high190 Ų19073.1 Ų73.188%0.8840%0.395SS*.THydrogen-bonded Turntrans-83.91.7-179.2-58.4-55.1000114.3
82Y94.9Very high95.4Very high190 Ų19082 Ų8275%0.74542%0.424SS*.THydrogen-bonded Turntrans-97.3-7.5-178.2-58.7-68.3000112.7D80D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 HydrophobicContact CB-CD2 4.42Å; D80-Y82 PolarHBondContact O-N 3.42Å; D80-Y82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.5Å; D80-Y82 PolarHBondContact OD1-N 3.37Å
83Q97.4Very high95.4Very high45 Ų4586.6 Ų86.621%0.2144%0.441CS..  trans-70.3142.2177.3-52.5-50.7-54.200111.9S51 S52 P76 D78 D80S51-Q83 WeakPolarHBondContact OG-CA 3.5Å; S51-Q83 PolarHBondContact OG-OE1 3.07Å; S52-Q83 PolarHBondContact OG-OE1 3.13Å; P76-Q83 HydrophobicContact CB-CB 3.84Å; P76-Q83 HydrophobicContact CB-CG 3.67Å; P76-Q83 HydrophobicContact CG-CB 3.98Å; P76-Q83 HydrophobicContact CG-CG 3.92Å; D78-Q83 WeakPolarHBondContact O-CG 3.39Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.33Å; D80-Q83 PolarHBondContact OD1-N 3.16Å; D80-Q83 PolarHBondContact OD1-NE2 3.31Å
84W97.3Very high95.4Very high114 Ų11493.4 Ų93.443%0.43247%0.471SS..  trans-140.8151.2-178.758.2-96.8000111.9S50 S51 W74 Q86S50-W84 VanDerWaalsContact C-CZ3 3.46Å; S50-W84 CarbonylContact C-O 3.55Å; S50-W84 WeakPolarHBondContact CA-O 3.5Å; S50-W84 WeakPolarHBondContact CB-O 3.24Å; S50-W84 WeakPolarHBondContact O-CH2 3.45Å; S51-W84 PolarHBondContact N-O 3.19Å; S51-W84 PolarHBondContact OG-N 3.19Å; S51-W84 VanDerWaalsContact OG-N 3.11Å; W74-W84 WeakPolarHBondContact CZ2-O 3.26Å; W84-Q86 HydrophobicContact CE3-CB 3.77Å; W84-Q86 HydrophobicContact CZ3-CB 3.54Å
85L97.6Very high95.2Very high69 Ų6994.5 Ų94.536%0.36148%0.48SS..EExtended strand (participates in β ladder)trans-122.9127.7169.4174.672.2000107.4P60 A63 W74P60-L85 HydrophobicContact CB-CD1 3.46Å; P60-L85 VanDerWaalsContact CB-CD1 3.46Å; A63-L85 HydrophobicContact CB-CD1 4.01Å; A63-L85 HydrophobicContact CB-CD2 3.46Å; A63-L85 VanDerWaalsContact CB-CD2 3.46Å; A63-L85 HydrophobicContact CB-CG 4.38Å; W74-L85 HydrophobicContact CD2-CB 4.29Å; W74-L85 HydrophobicContact CD2-CD1 4.07Å; W74-L85 HydrophobicContact CE3-CB 3.95Å; W74-L85 HydrophobicContact CE3-CD1 4.39Å; W74-L85 HydrophobicContact CE3-CD2 4.11Å; W74-L85 HydrophobicContact CE3-CG 4.38Å; W74-L85 HydrophobicContact CG-CD1 4.15Å; W74-L85 HydrophobicContact CH2-CB 3.96Å; W74-L85 HydrophobicContact CZ2-CB 4.3Å; W74-L85 HydrophobicContact CZ3-CB 3.79Å
86Q97.5Very high95.1Very high53 Ų5397.6 Ų97.625%0.24850%0.501CS..EExtended strand (participates in β ladder)trans-114.9141.3-178.9179.3-178.7-22.800110F48 S49 W84 W124F48-Q86 WeakPolarHBondContact CA-O 3.38Å; S49-Q86 PolarHBondContact N-O 2.87Å; S49-Q86 PolarHBondContact O-N 3.18Å; W84-Q86 HydrophobicContact CE3-CB 3.77Å; W84-Q86 HydrophobicContact CZ3-CB 3.54Å; Q86-W124 HydrophobicContact CG-CH2 3.8Å; Q86-W124 HydrophobicContact CG-CZ2 4.15Å
87V97.9Very high94.9Very high42 Ų42100 Ų10026%0.25552%0.524SS..EExtended strand (participates in β ladder)trans-121.8124.2170.2-171.60000108.8V40 L43 A47 F48 F89V40-V87 HydrophobicContact CG1-CG1 4.31Å; L43-V87 HydrophobicContact CD1-CG1 3.5Å; L43-V87 VanDerWaalsContact CD1-CG1 3.5Å; A47-V87 CarbonylContact O-C 3.59Å; A47-V87 WeakPolarHBondContact O-CA 3.49Å; F48-V87 HydrophobicContact CD1-CG1 4.33Å; F48-V87 HydrophobicContact CD1-CG2 3.71Å; F48-V87 HydrophobicContact CE1-CB 4.48Å; F48-V87 HydrophobicContact CE1-CG1 4Å; F48-V87 HydrophobicContact CE1-CG2 3.7Å; F48-V87 HydrophobicContact CZ-CG1 4.26Å; V87-F89 HydrophobicContact CB-CZ 4.28Å; V87-F89 HydrophobicContact CG1-CD1 4.32Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 4.48Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å
88D97.1Very high94.7Very high95 Ų95100.2 Ų100.251%0.50852%0.519SS..  trans-96.8117.5171.6-173.4-1.3000110A47 G90A47-D88 WeakPolarHBondContact CB-O 3.46Å; A47-D88 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact C-N 3.33Å; D88-G90 PolarHBondContact OD1-N 3.49Å
89F95.6Very high94.6Very high46 Ų4699.5 Ų99.520%0.20253%0.526CS..  trans-86.5-4.4178.7-63.1-69.9000113.2L39 V40 L43 V87 N91 K93 I95L39-F89 HydrophobicContact CB-CD1 4.18Å; L39-F89 HydrophobicContact CB-CE1 3.61Å; L39-F89 HydrophobicContact CB-CZ 4.33Å; L39-F89 HydrophobicContact CD1-CE1 4.32Å; L39-F89 HydrophobicContact CD1-CZ 4.43Å; V40-F89 HydrophobicContact CG1-CE1 4.18Å; L43-F89 HydrophobicContact CD1-CD1 3.75Å; L43-F89 HydrophobicContact CD1-CE1 3.9Å; V87-F89 HydrophobicContact CB-CZ 4.28Å; V87-F89 HydrophobicContact CG1-CD1 4.32Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 4.48Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å; F89-N91 PolarHBondContact O-N 3.1Å; F89-K93 HydrophobicContact CB-CG 3.6Å; F89-K93 HydrophobicContact CD1-CG 4.27Å; F89-K93 HydrophobicContact CD2-CB 4.47Å; F89-K93 HydrophobicContact CD2-CG 4.27Å; F89-K93 HydrophobicContact CG-CB 4.46Å; F89-K93 HydrophobicContact CG-CG 3.8Å; F89-I95 HydrophobicContact CE2-CD1 3.92Å; F89-I95 HydrophobicContact CZ-CD1 4.49Å
90G94.7Very high94.6Very high59 Ų5996.4 Ų96.461%0.60850%0.502SS*.SBendtrans70.1-24.8-177.600000115D88D88-G90 VanDerWaalsContact C-N 3.33Å; D88-G90 PolarHBondContact OD1-N 3.49Å
91N92.8Very high94.5Very high129 Ų12998.2 Ų98.269%0.6951%0.507SS*.SBendtrans-139.1158.7174.8-65.2-76.3000109.5F89 K93F89-N91 PolarHBondContact O-N 3.1Å; N91-K93 PolarHBondContact O-N 3.04Å
92R94.4Very high94.5Very high210 Ų21090.7 Ų90.779%0.79248%0.481SS*.  trans-57.1129.1176.1-169175-175.9-164.8-1.8110.7D119R92-D119 IonicContact NE-OD1 3.87Å
93K94Very high94.3Very high105 Ų10584 Ų8446%0.45746%0.455SS..  trans-122.8147.7176.8-62.5-59.8-179.6179.20110.6L39 F89 N91L39-K93 HydrophobicContact CD1-CB 4.07Å; L39-K93 HydrophobicContact CD1-CG 4.44Å; F89-K93 HydrophobicContact CB-CG 3.6Å; F89-K93 HydrophobicContact CD1-CG 4.27Å; F89-K93 HydrophobicContact CD2-CB 4.47Å; F89-K93 HydrophobicContact CD2-CG 4.27Å; F89-K93 HydrophobicContact CG-CB 4.46Å; F89-K93 HydrophobicContact CG-CG 3.8Å; N91-K93 PolarHBondContact O-N 3.04Å
94Q93.1Very high93.8Very high151 Ų15187 Ų8771%0.70647%0.465SS*.  trans-86.4124.1164.8-176173.54.400108.3
95I92.8Very high93.2Very high72 Ų7286.9 Ų86.937%0.36948%0.482SS..  trans-106.8116.4177.4-59.2174.9000107.1L39 F89 I98 M115L39-I95 HydrophobicContact CD1-CG1 4.24Å; F89-I95 HydrophobicContact CE2-CD1 3.92Å; F89-I95 HydrophobicContact CZ-CD1 4.49Å; I95-I98 HydrophobicContact CG2-CG1 4.08Å; I95-M115 HydrophobicContact CD1-CE 3.86Å
96S92.8Very high92.6Very high82 Ų8285.1 Ų85.157%0.57348%0.475SS*.  trans-95.2-33.3179.550.40000112.3C35C35-S96 PolarHBondContact O-OG 3.11Å
97A91.9Very high92Very high81 Ų8187.4 Ų87.467%0.66950%0.497SS*.  trans-153.1158.5-179.100000111.3
98I93.1Very high91.2Very high72 Ų7290.4 Ų90.437%0.36951%0.511SS..  trans-125.5123.2173.1-61.9174.3000108I95 T100 Y113 M115I95-I98 HydrophobicContact CG2-CG1 4.08Å; I98-T100 HydrophobicContact CG2-CG2 4.24Å; I98-Y113 HydrophobicContact CD1-CE2 4.38Å; I98-Y113 HydrophobicContact CG2-CE2 4.46Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.39Å; I98-M115 HydrophobicContact CD1-CE 4.16Å; I98-M115 HydrophobicContact CD1-CG 4.18Å; I98-M115 HydrophobicContact CD1-SD 3.6Å; I98-M115 VanDerWaalsContact CD1-SD 3.6Å
99A92.6Very high90.7Very high78 Ų7892.6 Ų92.665%0.64551%0.512SS*.  trans-95.9134.9169.300000109.3I65I65-A99 HydrophobicContact CD1-CB 3.61Å
100T92.9Very high90.4Very high70 Ų7094.6 Ų94.643%0.42953%0.529SS..  trans-115.7150.8176.562.40000110.1I98 Y113I98-T100 HydrophobicContact CG2-CG2 4.24Å; T100-Y113 HydrophobicContact CG2-CD1 4.2Å; T100-Y113 HydrophobicContact CG2-CE1 3.57Å
101Q91.8Very high90.2Very high109 Ų10995.9 Ų95.951%0.50953%0.525SS..  trans-145.7144.1177.2-166.8-177-0.700109.4I65I65-Q101 HydrophobicContact CD1-CB 4.4Å; I65-Q101 HydrophobicContact CG1-CB 3.91Å
102G91.9Very high90.3Very high32 Ų3296 Ų9633%0.3352%0.521SS..PPolyproline II helixtrans-71.3170.2167.700000111.9
103R91.1Very high90.3Very high50 Ų5088.6 Ų88.619%0.18949%0.493CS..PPolyproline II helixtrans-71.8142.5179.1-167.3171.862.196.9-7.2110.7Y58 A71 G72 S105 S106Y58-R103 VanDerWaalsContact CE1-CZ 3.43Å; A71-R103 WeakPolarHBondContact O-CD 3.2Å; A71-R103 WeakPolarHBondContact O-CG 3.23Å; A71-R103 PolarHBondContact O-NH1 2.99Å; G72-R103 WeakPolarHBondContact O-CG 3.36Å; R103-S105 PolarHBondContact O-N 3.08Å; R103-S106 PolarHBondContact O-N 3.02Å
104Y86.4Confident90.4Very high109 Ų10991.7 Ų91.743%0.42750%0.502SS..THydrogen-bonded Turntrans-61.1137.1174.4-178.4-100.4000110.9R68 G72 S106R68-Y104 HydrophobicContact CB-CD1 4.41Å; R68-Y104 HydrophobicContact CG-CD1 4.06Å; R68-Y104 HydrophobicContact CG-CD2 4.06Å; R68-Y104 HydrophobicContact CG-CE1 4.41Å; R68-Y104 HydrophobicContact CG-CE2 4.43Å; R68-Y104 HydrophobicContact CG-CG 3.87Å; R68-Y104 VanDerWaalsContact CZ-CE2 3.44Å; R68-Y104 VanDerWaalsContact CZ-CZ 3.46Å; R68-Y104 VanDerWaalsContact NE-CE2 3.34Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.12Å; G72-Y104 PolarHBondContact O-N 2.8Å; Y104-S106 VanDerWaalsContact C-N 3.25Å; Y104-S106 PolarHBondContact O-N 3.19Å
105S84.6Confident90.5Very high111 Ų11186.1 Ų86.178%0.77648%0.477SS*.THydrogen-bonded Turntrans61.226.5-179.9-1660000115R103R103-S105 PolarHBondContact O-N 3.08Å
106S85.3Confident90.7Very high31 Ų3186.9 Ų86.922%0.21748%0.481CS..  trans-132.4153.4174.1155.10000110.5R103 Y104 D108R103-S106 PolarHBondContact O-N 3.02Å; Y104-S106 VanDerWaalsContact C-N 3.25Å; Y104-S106 PolarHBondContact O-N 3.19Å; S106-D108 VanDerWaalsContact C-N 3.32Å; S106-D108 VanDerWaalsContact OG-CB 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.32Å; S106-D108 VanDerWaalsContact OG-CG 3.23Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.85Å
107S84.9Confident90.9Very high101 Ų10188 Ų8871%0.70647%0.473SS*.SBendtrans-94.210.6172.5-57.20000112.2W109S107-W109 WeakPolarHBondContact O-CZ3 3.13Å
108D81.9Confident91.2Very high106 Ų10685.6 Ų85.657%0.56745%0.452SS*.  trans-91.9127.9-179.7-49.5-51.1000109.3S106S106-D108 VanDerWaalsContact C-N 3.32Å; S106-D108 VanDerWaalsContact OG-CB 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.32Å; S106-D108 VanDerWaalsContact OG-CG 3.23Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.85Å
109W85.8Confident91.3Very high140 Ų14087.9 Ų87.953%0.5347%0.465SS..  trans-147150.9174.361.378.4000111.7S107S107-W109 WeakPolarHBondContact O-CZ3 3.13Å
110V90.4Very high91.3Very high89 Ų8988.4 Ų88.454%0.53946%0.46SS..  trans-75.4130.4170.4178.10000108.8Q112V110-Q112 WeakPolarHBondContact CG1-O 3.31Å
111T90.7Very high91.2Very high86 Ų8687 Ų8753%0.52846%0.459SS..SBendtrans-96.1-29.917950.90000112.8K138T111-K138 WeakPolarHBondContact O-CB 2.92Å; T111-K138 PolarHBondContact O-N 3.37Å
112Q93.4Very high91.2Very high131 Ų13192.4 Ų92.461%0.61248%0.475SS*.EExtended strand (participates in β ladder)trans-147.4145.9176.9-66.8-175.6-40.500110.1V110 F136V110-Q112 WeakPolarHBondContact CG1-O 3.31Å; Q112-F136 VanDerWaalsContact CA-O 3.27Å; Q112-F136 WeakPolarHBondContact CA-O 3.43Å
113Y95.2Very high91.3Very high54 Ų5496.6 Ų96.621%0.21249%0.49CS..EExtended strand (participates in β ladder)trans-145158.2174.168.1-82.3000111.7I98 T100 A135 F136I98-Y113 HydrophobicContact CD1-CE2 4.38Å; I98-Y113 HydrophobicContact CG2-CE2 4.46Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.39Å; T100-Y113 HydrophobicContact CG2-CD1 4.2Å; T100-Y113 HydrophobicContact CG2-CE1 3.57Å; Y113-A135 CarbonylContact O-C 3.57Å; Y113-A135 WeakPolarHBondContact O-CA 3.21Å; Y113-F136 HydrophobicContact CD1-CB 3.87Å; Y113-F136 HydrophobicContact CD2-CB 4.3Å; Y113-F136 HydrophobicContact CD2-CD2 4.18Å; Y113-F136 HydrophobicContact CE1-CB 3.39Å; Y113-F136 HydrophobicContact CE1-CG 4.23Å; Y113-F136 HydrophobicContact CE2-CB 3.87Å; Y113-F136 AromaticContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CE2 4.47Å; Y113-F136 AromaticContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CG-CB 4.3Å; Y113-F136 AromaticContact CZ-CG 3.7Å; Y113-F136 PolarHBondContact N-O 2.74Å; Y113-F136 VanDerWaalsContact N-O 3.07Å; Y113-F136 PolarHBondContact O-N 3.45Å
114R95.9Very high91.5Very high170 Ų17098.9 Ų98.964%0.64250%0.499SS*.EExtended strand (participates in β ladder)trans-110143.6169.9-67.2177.2179.5171.81.7108.7I133 A135R114-I133 HydrophobicContact CG-CG2 4.38Å; R114-A135 HydrophobicContact CG-CB 4.39Å
115M95.8Very high92Very high34 Ų3499.7 Ų99.717%0.16750%0.504CS..  trans-102.3132.9177.1-176.7-168.7177.600109.7I95 I98 Y127 F136I95-M115 HydrophobicContact CD1-CE 3.86Å; I98-M115 HydrophobicContact CD1-CE 4.16Å; I98-M115 HydrophobicContact CD1-CG 4.18Å; I98-M115 HydrophobicContact CD1-SD 3.6Å; I98-M115 VanDerWaalsContact CD1-SD 3.6Å; M115-Y127 PolarHBondContact O-N 2.93Å; M115-F136 HydrophobicContact CB-CD2 4.44Å; M115-F136 HydrophobicContact CB-CE2 3.83Å
116L97.1Very high92.6Very high89 Ų8996.2 Ų96.247%0.46648%0.479SS..EExtended strand (participates in β ladder)trans-117.1152.1164.6-73.969.4000108.7W124 K125 P126L116-W124 HydrophobicContact CB-CB 4.36Å; L116-W124 HydrophobicContact CB-CE3 3.94Å; L116-W124 HydrophobicContact CD2-CB 3.98Å; L116-K125 CarbonylContact C-O 3.5Å; L116-K125 WeakPolarHBondContact CA-O 3.27Å; L116-P126 HydrophobicContact CG-CB 4.47Å
117Y97Very high93.1Very high105 Ų10598.9 Ų98.941%0.41249%0.485SS..EExtended strand (participates in β ladder)trans-137.8153.7177.364.1-83.8000111.5K125Y117-K125 WeakPolarHBondContact CD1-O 3.36Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE2-CB 4.25Å; Y117-K125 HydrophobicContact CE2-CD 4.31Å; Y117-K125 PolarHBondContact N-O 2.88Å; Y117-K125 PolarHBondContact O-N 2.78Å
118S97.1Very high93.7Very high31 Ų3198.7 Ų98.722%0.21747%0.473CS..  trans-152.4140.4176.6-168.20000110.9T120 G121 N123S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact OG-N 3.32Å; S118-T120 PolarHBondContact OG-OG1 2.87Å; S118-G121 PolarHBondContact OG-N 2.92Å; S118-N123 WeakPolarHBondContact CB-O 3.18Å; S118-N123 PolarHBondContact OG-O 2.81Å
119D95.4Very high94.2Very high119 Ų11996.7 Ų96.764%0.63646%0.46SS*.SBendtrans-86-8.5169.9-63.5-47.5000112.4R92R92-D119 IonicContact NE-OD1 3.87Å
120T92.9Very high94.6Very high90 Ų9096.6 Ų96.655%0.55247%0.47SS*.SBendtrans-121.5-9-173.160.70000113.9S118 R122 N123S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact OG-N 3.32Å; S118-T120 PolarHBondContact OG-OG1 2.87Å; T120-R122 PolarHBondContact O-N 3.46Å; T120-R122 VanDerWaalsContact O-N 3.13Å; T120-R122 PolarHBondContact OG1-N 3.46Å; T120-N123 PolarHBondContact OG1-N 2.82Å
121G91.1Very high94.7Very high40 Ų4095.4 Ų95.441%0.41248%0.475SS..SBendtrans69-1.7-171.900000115.2S118 W124S118-G121 PolarHBondContact OG-N 2.92Å; G121-W124 PolarHBondContact O-NE1 3.22Å
122R90.8Very high94.9Very high222 Ų22296.7 Ų96.784%0.83848%0.479SS*.SBendtrans-111-47.9-178.4-61-176.6-173.8-1590.7112.6T120T120-R122 PolarHBondContact O-N 3.46Å; T120-R122 VanDerWaalsContact O-N 3.13Å; T120-R122 PolarHBondContact OG1-N 3.46Å
123N94.5Very high95Very high121 Ų12194.3 Ų94.365%0.64747%0.47SS*.SBendtrans-97.498.2-179-66.1-54.4000109.7S118 T120S118-N123 WeakPolarHBondContact CB-O 3.18Å; S118-N123 PolarHBondContact OG-O 2.81Å; T120-N123 PolarHBondContact OG1-N 2.82Å
124W95.8Very high95Very high98 Ų9895.8 Ų95.837%0.37148%0.475SS..  trans-92.2133.1-178.2-68.387.4000111.1Q86 L116 G121Q86-W124 HydrophobicContact CG-CH2 3.8Å; Q86-W124 HydrophobicContact CG-CZ2 4.15Å; L116-W124 HydrophobicContact CB-CB 4.36Å; L116-W124 HydrophobicContact CB-CE3 3.94Å; L116-W124 HydrophobicContact CD2-CB 3.98Å; G121-W124 PolarHBondContact O-NE1 3.22Å
125K97Very high95Very high125 Ų12589.5 Ų89.554%0.54346%0.459SS..EExtended strand (participates in β ladder)trans-114.5131.3178.6-63.9178-177.4177.80109L116 Y117L116-K125 CarbonylContact C-O 3.5Å; L116-K125 WeakPolarHBondContact CA-O 3.27Å; Y117-K125 WeakPolarHBondContact CD1-O 3.36Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE2-CB 4.25Å; Y117-K125 HydrophobicContact CE2-CD 4.31Å; Y117-K125 PolarHBondContact N-O 2.88Å; Y117-K125 PolarHBondContact O-N 2.78Å
126P97Very high94.9Very high38 Ų3889.8 Ų89.825%0.24746%0.46CS..EExtended strand (participates in β ladder)trans-64.1149.3170.527.4-32.8000110.6L116 H128 I133L116-P126 HydrophobicContact CG-CB 4.47Å; P126-H128 WeakPolarHBondContact CG-NE2 3.32Å; P126-H128 PolarHBondContact O-CD2 3.04Å; P126-I133 HydrophobicContact CB-CD1 4.16Å; P126-I133 HydrophobicContact CB-CG1 4.02Å; P126-I133 HydrophobicContact CB-CG2 4.03Å; P126-I133 HydrophobicContact CG-CD1 4.1Å; P126-I133 HydrophobicContact CG-CG1 4.13Å
127Y96.5Very high94.6Very high87 Ų8788 Ų8834%0.34145%0.454SS..  trans-74.6127.9166.7179.9-99.9000109.4M115 Q129 W134 F136M115-Y127 PolarHBondContact O-N 2.93Å; Y127-Q129 HydrophobicContact CE1-CB 4.08Å; Y127-W134 HydrophobicContact CD1-CB 3.84Å; Y127-W134 HydrophobicContact CD1-CG 4.49Å; Y127-W134 HydrophobicContact CE1-CB 4.12Å; Y127-W134 HydrophobicContact CE1-CG 4.4Å; Y127-W134 PolarHBondContact O-N 3.12Å; Y127-W134 VanDerWaalsContact O-N 3.1Å; Y127-F136 AromaticContact CD1-CE2 3.81Å; Y127-F136 HydrophobicContact CD1-CE2 3.81Å; Y127-F136 AromaticContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CE1-CE1 4.49Å; Y127-F136 HydrophobicContact CE1-CE2 4.36Å; Y127-F136 AromaticContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CG-CE2 4.48Å; Y127-F136 HydrophobicContact CG-CZ 4.35Å
128H95.9Very high93.8Very high97 Ų9787.8 Ų87.845%0.44946%0.455SS..EExtended strand (participates in β ladder)trans-108.4140.7176.4-74.6-109.5000110.4P126 G131 N132P126-H128 WeakPolarHBondContact CG-NE2 3.32Å; P126-H128 PolarHBondContact O-CD2 3.04Å; H128-G131 PolarHBondContact ND1-O 3.44Å; H128-G131 VanDerWaalsContact ND1-O 3.09Å; H128-N132 CarbonylContact C-O 3.55Å; H128-N132 WeakPolarHBondContact CA-O 3.4Å
129Q94.2Very high92.1Very high64 Ų6497 Ų9730%0.29949%0.494SS..EExtended strand (participates in β ladder)trans-132.7130.5167.9-179.6167.8-7.900107.9Y127 G131 N132 W134Y127-Q129 HydrophobicContact CE1-CB 4.08Å; Q129-G131 PolarHBondContact O-N 3.07Å; Q129-N132 PolarHBondContact N-O 3.05Å; Q129-N132 PolarHBondContact O-N 3.24Å; Q129-W134 HydrophobicContact CB-CB 3.85Å; Q129-W134 HydrophobicContact CB-CD2 3.75Å; Q129-W134 HydrophobicContact CB-CE3 3.6Å; Q129-W134 HydrophobicContact CB-CG 3.88Å; Q129-W134 HydrophobicContact CB-CZ3 4.36Å; Q129-W134 HydrophobicContact CG-CD2 4.13Å; Q129-W134 HydrophobicContact CG-CE3 3.84Å; Q129-W134 HydrophobicContact CG-CZ3 4.11Å
130D93.6Very high92Very high139 Ų13995.9 Ų95.974%0.74349%0.487SS*.THydrogen-bonded Turntrans52.238.8-176.2-52.4-40000113.2N132D130-N132 PolarHBondContact O-N 2.68Å; D130-N132 PolarHBondContact O-ND2 2.82Å
131G92.8Very high91.9Very high63 Ų6396.2 Ų96.265%0.64948%0.483SS*.THydrogen-bonded Turntrans79.9-11.9-179.300000115.2H128 Q129H128-G131 PolarHBondContact ND1-O 3.44Å; H128-G131 VanDerWaalsContact ND1-O 3.09Å; Q129-G131 PolarHBondContact O-N 3.07Å
132N94.6Very high91.9Very high113 Ų11399.3 Ų99.360%0.60449%0.487SS*.EExtended strand (participates in β ladder)trans-102150.9-177-64.3-57.8000112.1H128 Q129 D130 W134H128-N132 CarbonylContact C-O 3.55Å; H128-N132 WeakPolarHBondContact CA-O 3.4Å; Q129-N132 PolarHBondContact N-O 3.05Å; Q129-N132 PolarHBondContact O-N 3.24Å; D130-N132 PolarHBondContact O-N 2.68Å; D130-N132 PolarHBondContact O-ND2 2.82Å; N132-W134 PolarHBondContact O-N 3.33Å; N132-W134 VanDerWaalsContact O-N 3.08Å
133I95.1Very high92Very high81 Ų8192.1 Ų92.142%0.41547%0.467SS..EExtended strand (participates in β ladder)trans-64.2113.2169.5-61.7176000107.7R114 P126R114-I133 HydrophobicContact CG-CG2 4.38Å; P126-I133 HydrophobicContact CB-CD1 4.16Å; P126-I133 HydrophobicContact CB-CG1 4.02Å; P126-I133 HydrophobicContact CB-CG2 4.03Å; P126-I133 HydrophobicContact CG-CD1 4.1Å; P126-I133 HydrophobicContact CG-CG1 4.13Å
134W95.7Very high91.9Very high85 Ų8590.3 Ų90.332%0.32246%0.456SS..  trans-79.5134.8-173.1-168.7-107000111.3Y127 Q129 N132 F136Y127-W134 HydrophobicContact CD1-CB 3.84Å; Y127-W134 HydrophobicContact CD1-CG 4.49Å; Y127-W134 HydrophobicContact CE1-CB 4.12Å; Y127-W134 HydrophobicContact CE1-CG 4.4Å; Y127-W134 PolarHBondContact O-N 3.12Å; Y127-W134 VanDerWaalsContact O-N 3.1Å; Q129-W134 HydrophobicContact CB-CB 3.85Å; Q129-W134 HydrophobicContact CB-CD2 3.75Å; Q129-W134 HydrophobicContact CB-CE3 3.6Å; Q129-W134 HydrophobicContact CB-CG 3.88Å; Q129-W134 HydrophobicContact CB-CZ3 4.36Å; Q129-W134 HydrophobicContact CG-CD2 4.13Å; Q129-W134 HydrophobicContact CG-CE3 3.84Å; Q129-W134 HydrophobicContact CG-CZ3 4.11Å; N132-W134 PolarHBondContact O-N 3.33Å; N132-W134 VanDerWaalsContact O-N 3.08Å; W134-F136 AromaticContact CD1-CD1 3.71Å; W134-F136 AromaticContact CD1-CD2 3.84Å; W134-F136 AromaticContact CD1-CE1 3.66Å; W134-F136 AromaticContact CD1-CE2 3.78Å; W134-F136 AromaticContact CD1-CG 3.8Å; W134-F136 AromaticContact CD1-CZ 3.69Å; W134-F136 AromaticContact NE1-CD1 3.8Å; W134-F136 AromaticContact NE1-CE1 3.96Å
135A94.9Very high91.6Very high38 Ų3889.8 Ų89.831%0.31446%0.461SS..EExtended strand (participates in β ladder)trans-106112.9169.700000108.4Y113 R114 P137Y113-A135 CarbonylContact O-C 3.57Å; Y113-A135 WeakPolarHBondContact O-CA 3.21Å; R114-A135 HydrophobicContact CG-CB 4.39Å; A135-P137 WeakPolarHBondContact O-CD 3.29Å
136F93.3Very high91.2Very high40 Ų4087.3 Ų87.318%0.17546%0.455CS..EExtended strand (participates in β ladder)trans-73.7120.2177.9-66.9-89.3000109.1Q112 Y113 M115 Y127 W134Q112-F136 VanDerWaalsContact CA-O 3.27Å; Q112-F136 WeakPolarHBondContact CA-O 3.43Å; Y113-F136 HydrophobicContact CD1-CB 3.87Å; Y113-F136 HydrophobicContact CD2-CB 4.3Å; Y113-F136 HydrophobicContact CD2-CD2 4.18Å; Y113-F136 HydrophobicContact CE1-CB 3.39Å; Y113-F136 HydrophobicContact CE1-CG 4.23Å; Y113-F136 HydrophobicContact CE2-CB 3.87Å; Y113-F136 AromaticContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CE2 4.47Å; Y113-F136 AromaticContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CG-CB 4.3Å; Y113-F136 AromaticContact CZ-CG 3.7Å; Y113-F136 PolarHBondContact N-O 2.74Å; Y113-F136 VanDerWaalsContact N-O 3.07Å; Y113-F136 PolarHBondContact O-N 3.45Å; M115-F136 HydrophobicContact CB-CD2 4.44Å; M115-F136 HydrophobicContact CB-CE2 3.83Å; Y127-F136 AromaticContact CD1-CE2 3.81Å; Y127-F136 HydrophobicContact CD1-CE2 3.81Å; Y127-F136 AromaticContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CE1-CE1 4.49Å; Y127-F136 HydrophobicContact CE1-CE2 4.36Å; Y127-F136 AromaticContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CG-CE2 4.48Å; Y127-F136 HydrophobicContact CG-CZ 4.35Å; W134-F136 AromaticContact CD1-CD1 3.71Å; W134-F136 AromaticContact CD1-CD2 3.84Å; W134-F136 AromaticContact CD1-CE1 3.66Å; W134-F136 AromaticContact CD1-CE2 3.78Å; W134-F136 AromaticContact CD1-CG 3.8Å; W134-F136 AromaticContact CD1-CZ 3.69Å; W134-F136 AromaticContact NE1-CD1 3.8Å; W134-F136 AromaticContact NE1-CE1 3.96Å
137P91.4Very high90.8Very high52 Ų5291.1 Ų91.134%0.33847%0.471SS..EExtended strand (participates in β ladder)trans-73.2157.9169.932.6-34000110.4A135 H139A135-P137 WeakPolarHBondContact O-CD 3.29Å; P137-H139 PolarHBondContact O-N 2.9Å
138K80.1Confident90.3Very high101 Ų10191.4 Ų91.444%0.43948%0.482SS..PPolyproline II helixtrans-61.4129.9162.8179.4-169.1172.283.10109T111T111-K138 WeakPolarHBondContact O-CB 2.92Å; T111-K138 PolarHBondContact O-N 3.37Å
139H62.1Low89.8Confident224 Ų22490.9 Ų90.9100%1.03749%0.485SS*.  trans-96.70166.5-68.8-67.6000110.8P137P137-H139 PolarHBondContact O-N 2.9Å

Retrieved 139 of 139 residues in 28.2 ms (Link to these results)