A0A087XEK3_POEFO Loading...

EGF-like-domain, multiple 6

AlphaFold DB , UniProt , Accession A0A087XEK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.7Very low38Very low236 Ų236152.7 Ų152.7100%1.16386%0.858SS**  0130.50-66.7-166.5-14600107.9
2Q33.4Very low38.6Very low189 Ų189151.8 Ų151.888%0.88385%0.847SS**  trans9.9145.9145.4-72.6162.1-24.400118.2
3A34.1Very low38.5Very low85 Ų85152.4 Ų152.470%0.70285%0.846SS**  cis-168.1151.51200000110.9
4L37.6Very low38.4Very low158 Ų158152.1 Ų152.183%0.82784%0.841SS**  trans0.3131.4146.9-73.8128.2000118.6
5T37.2Very low38Very low122 Ų122153.5 Ų153.575%0.74885%0.847SS**  171.3130.8101.335.40000112.1
6L41.8Very low38Very low159 Ų159154 Ų15483%0.83285%0.846SS**  trans44.7112.6144.8-75.2150000119.5
7V38.9Very low37.7Very low149 Ų149150.7 Ų150.790%0.90384%0.836SS**  156.7105.3118172.60000106.6
8G38.9Very low37.9Very low80 Ų80149.6 Ų149.683%0.82584%0.84SS**  trans170.943.4179.400000116.1
9A43.9Very low37.4Very low91 Ų91144.5 Ų144.575%0.75283%0.825SS**  trans-167.6102.9159.800000108.6
10F35.8Very low37.4Very low196 Ų196143.2 Ų143.286%0.8683%0.825SS**  trans163.174.3151.1-100.4-76.9000107.7
11F43.2Very low37.1Very low215 Ų215142.6 Ų142.694%0.94382%0.824SS**  trans-11050.2170.4-115.2-69.9000109.9
12I44.3Very low37.3Very low141 Ų141139.6 Ų139.672%0.72381%0.807SS**  trans-147.6103.9160.5-54-178.6000106
13L38Very low37.3Very low160 Ų160134.2 Ų134.284%0.83880%0.795SS**SBendtrans153.9132.6142.7-80.5172.1000110.5
14L37.2Very low37.7Very low149 Ų149140.4 Ų140.478%0.7880%0.802SS**  trans8773.5167.6-52.6173.9000117.5
15N31.6Very low38Very low173 Ų173142 Ų14293%0.92580%0.797SS**  trans-139.281.5138.4-90-65.4000108.2
16I37.9Very low38.5Very low161 Ų161145 Ų14583%0.82680%0.802SS**  trans-91.3108.1163.4-65.7177.4000106.7
17S32.9Very low39.1Very low98 Ų98143.3 Ų143.369%0.68579%0.789SS**  trans7.8126.7146.3-165.90000116.9G19S17-G19 PolarHBondContact O-N 3.48Å
18S41.3Very low39.6Very low130 Ų130146.8 Ų146.891%0.90979%0.786SS**  trans-52.381.7150.8-43.90000110.2
19G29.3Very low40.4Very low53 Ų53147.7 Ų147.755%0.54677%0.769SS.*  trans-99.3108.8162.900000107.1S17 T21S17-G19 PolarHBondContact O-N 3.48Å; G19-T21 PolarHBondContact O-N 3.48Å
20S36Very low40.7Very low118 Ų118146 Ų14683%0.82575%0.749SS**  trans-59.493.2164.1520000107.9E22S20-E22 PolarHBondContact O-N 2.92Å
21T31Very low41.3Very low131 Ų131144.7 Ų144.780%0.80475%0.746SS**  trans-67.794.7161.842.50000106G19 A23G19-T21 PolarHBondContact O-N 3.48Å; T21-A23 PolarHBondContact O-N 2.87Å
22E38.3Very low41.5Very low173 Ų173137.6 Ų137.681%0.80873%0.726SS**  trans-55.689151.5-89-179.1148.200106.3S20 Y24S20-E22 PolarHBondContact O-N 2.92Å; E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 3.07Å
23A34.7Very low41.6Very low77 Ų77134.7 Ų134.764%0.63673%0.732SS**  trans-56.5106.816400000105.6T21 R25T21-A23 PolarHBondContact O-N 2.87Å; A23-R25 PolarHBondContact O-N 3.37Å
24Y42.1Very low42.5Very low214 Ų214132.3 Ų132.384%0.83973%0.728SS**  trans-54.183.3157.7-97.6-98.8000106.9E22 H26E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 3.07Å; Y24-H26 PolarHBondContact O-N 3.11Å; Y24-H26 VanDerWaalsContact O-N 3.08Å
25R44.7Very low43.6Very low191 Ų191129.7 Ų129.772%0.72171%0.712SS**  trans-66.7109.9166.4-94.8-176.7178.1150.52.1104.2A23 H27A23-R25 PolarHBondContact O-N 3.37Å; R25-H27 VanDerWaalsContact C-N 3.26Å; R25-H27 VanDerWaalsContact CB-CE1 3.42Å; R25-H27 WeakPolarHBondContact CB-CE1 3.43Å; R25-H27 PolarHBondContact O-CD2 2.92Å; R25-H27 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-NE2 2.98Å
26H45.7Very low45.5Very low187 Ų187124.6 Ų124.687%0.86669%0.694SS**  trans-57.397.6163.5-84.1-83.3000108.1Y24 R28Y24-H26 PolarHBondContact O-N 3.11Å; Y24-H26 VanDerWaalsContact O-N 3.08Å; H26-R28 PolarHBondContact O-N 3.1Å
27H56.3Low47.3Very low122 Ų122117 Ų11757%0.56566%0.656SS**  trans-81.3109.5177.9-65.5-65.1000107.8R25 Q29R25-H27 VanDerWaalsContact C-N 3.26Å; R25-H27 VanDerWaalsContact CB-CE1 3.42Å; R25-H27 WeakPolarHBondContact CB-CE1 3.43Å; R25-H27 PolarHBondContact O-CD2 2.92Å; R25-H27 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-NE2 2.98Å; H27-Q29 PolarHBondContact O-N 3.08Å
28R49.2Very low49.7Very low222 Ų222113.6 Ų113.684%0.83863%0.63SS**  trans-82.8112.9178.8-165.3172.9-176.2-177.51.3108.6H26 V30H26-R28 PolarHBondContact O-N 3.1Å; R28-V30 PolarHBondContact O-N 2.83Å; R28-V30 VanDerWaalsContact O-N 3.12Å
29Q53.9Low51.6Low99 Ų99108 Ų10846%0.46359%0.591SS.*  trans-56.4117.7166.9-152.3175.116.300107.1H27 H31H27-Q29 PolarHBondContact O-N 3.08Å; Q29-H31 PolarHBondContact O-N 3.39Å
30V51.9Low54.1Low55 Ų55113 Ų11333%0.33359%0.593SS.*  trans-86.5106.4176.2-167.50000104.9R28 A32 R40R28-V30 PolarHBondContact O-N 2.83Å; R28-V30 VanDerWaalsContact O-N 3.12Å; V30-A32 HydrophobicContact CB-CB 4.5Å; V30-A32 HydrophobicContact CG1-CB 3.88Å; V30-A32 PolarHBondContact O-N 3.17Å; V30-R40 HydrophobicContact CG2-CB 4.13Å
31H48.4Very low56.1Low170 Ų170111.4 Ų111.479%0.78757%0.57SS**  trans-67.269159.4-83-66.8000108Q29 G33Q29-H31 PolarHBondContact O-N 3.39Å; H31-G33 PolarHBondContact O-N 3.19Å
32A45.7Very low58.3Low65 Ų65108.4 Ų108.454%0.53757%0.565SS.*  trans-77.675.7171.100000107.3V30 S34V30-A32 HydrophobicContact CB-CB 4.5Å; V30-A32 HydrophobicContact CG1-CB 3.88Å; V30-A32 PolarHBondContact O-N 3.17Å; A32-S34 PolarHBondContact O-N 3.33Å
33G48.3Very low60.1Low81 Ų81110.5 Ų110.584%0.83557%0.572SS**THydrogen-bonded Turntrans57.4-14.615200000121.5H31H31-G33 PolarHBondContact O-N 3.19Å
34S55.7Low62.1Low110 Ų110115.3 Ų115.377%0.76957%0.573SS**THydrogen-bonded Turntrans-165.4-7.9-178.7610000117.7A32A32-S34 PolarHBondContact O-N 3.33Å
35Q61.8Low63.9Low94 Ų94110.6 Ų110.644%0.43956%0.562SS.*  trans-131.4112.2-178.5-69.7-176.6-9.500112.4V38Q35-V38 HydrophobicContact CB-CG2 3.82Å
36A70.8Confident65.8Low66 Ų66106 Ų10655%0.54555%0.549SS..THydrogen-bonded Turntrans-62.9146.8170.900000110.4V38 W51A36-V38 PolarHBondContact O-N 3.07Å; A36-W51 HydrophobicContact CB-CH2 3.77Å; A36-W51 HydrophobicContact CB-CZ3 3.99Å
37G75.1Confident67.6Low2 Ų298.3 Ų98.32%0.02152%0.516CS..THydrogen-bonded Turntrans78.711.8173.700000117C47 C48 W51G37-C47 CarbonylContact O-C 3.57Å; G37-C47 WeakPolarHBondContact O-CA 3.42Å; G37-C48 VanDerWaalsContact C-SG 3.53Å; G37-C48 PolarHBondContact O-N 3.38Å; G37-C48 PolarHBondContact O-SG 3.23Å; G37-C48 VanDerWaalsContact O-SG 3.41Å; G37-W51 VanDerWaalsContact CA-CE2 3.49Å
38V83.9Confident68.8Low25 Ų2593 Ų9315%0.15249%0.492CS..EExtended strand (participates in β ladder)trans-98.9125.5176.5-175.10000111Q35 A36 L45 C59Q35-V38 HydrophobicContact CB-CG2 3.82Å; A36-V38 PolarHBondContact O-N 3.07Å; V38-L45 HydrophobicContact CG1-CB 4.18Å; V38-L45 HydrophobicContact CG1-CD2 4.28Å; V38-C59 HydrophobicContact CG2-CB 4.39Å
39C81.5Confident70.2Confident13 Ų1392.6 Ų92.69%0.08849%0.492CS..EExtended strand (participates in β ladder)trans-115.8145.5179.7-82.10000111.1Y41 E46 C48C39-Y41 HydrophobicContact CB-CD2 4.24Å; C39-Y41 HydrophobicContact CB-CE2 3.53Å; C39-E46 PolarHBondContact N-O 3.31Å; C39-E46 PolarHBondContact O-N 2.03Å; C39-E46 VanDerWaalsContact O-O 3.08Å; C39-C48 HydrophobicContact CB-CB 3.97Å; C39-C48 WeakPolarHBondContact CB-SG 3.06Å; C39-C48 PolarHBondContact N-SG 3.44Å; C39-C48 WeakPolarHBondContact SG-CB 3.45Å; C39-C48 CovalentContact SG-SG 2.03Å; C39-C48 PolarHBondContact SG-SG 3.43Å
40R81.4Confident71.1Confident157 Ų15789.3 Ų89.359%0.59249%0.485SS*.EExtended strand (participates in β ladder)trans-94.8116.2175.7-177.2-179.8-81.5172.5-5110.2V30 G42 R44 L45V30-R40 HydrophobicContact CG2-CB 4.13Å; R40-G42 WeakPolarHBondContact CD-O 3.49Å; R40-G42 VanDerWaalsContact CG-O 3.31Å; R40-G42 WeakPolarHBondContact CG-O 3.39Å; R40-R44 CarbonylContact C-O 3.59Å; R40-R44 WeakPolarHBondContact CA-O 3.18Å; R40-L45 HydrophobicContact CB-CD2 4.03Å; R40-L45 HydrophobicContact CG-CD2 4.36Å
41Y76.8Confident72.6Confident86 Ų8688.4 Ų88.434%0.33748%0.475SS..EExtended strand (participates in β ladder)trans-106.791.1174-64.5-87.7000109.1C39 K43 R44 E46C39-Y41 HydrophobicContact CB-CD2 4.24Å; C39-Y41 HydrophobicContact CB-CE2 3.53Å; Y41-K43 PolarHBondContact O-N 3.45Å; Y41-K43 VanDerWaalsContact O-N 3.1Å; Y41-R44 PolarHBondContact N-O 2.78Å; Y41-R44 PolarHBondContact O-N 3.37Å; Y41-E46 HydrophobicContact CD2-CB 3.97Å; Y41-E46 HydrophobicContact CE2-CB 4.2Å
42G79Confident74.3Confident68 Ų6884.1 Ų84.170%0.70146%0.461SS*.THydrogen-bonded Turntrans63.5-111.1-173.600000111.7R40R40-G42 WeakPolarHBondContact CD-O 3.49Å; R40-G42 VanDerWaalsContact CG-O 3.31Å; R40-G42 WeakPolarHBondContact CG-O 3.39Å
43K75.3Confident76.2Confident216 Ų21687.8 Ų87.894%0.93947%0.465SS*.THydrogen-bonded Turntrans-94.1-4.6175.5-67.4-174179.4-179.10114Y41Y41-K43 PolarHBondContact O-N 3.45Å; Y41-K43 VanDerWaalsContact O-N 3.1Å
44R77.1Confident77.7Confident178 Ų17885.3 Ų85.367%0.67243%0.432SS*.EExtended strand (participates in β ladder)trans-100.7145.5-176.6-63.9-177.3179.3174-0.1111.2R40 Y41 E46R40-R44 CarbonylContact C-O 3.59Å; R40-R44 WeakPolarHBondContact CA-O 3.18Å; Y41-R44 PolarHBondContact N-O 2.78Å; Y41-R44 PolarHBondContact O-N 3.37Å; R44-E46 HydrophobicContact CB-CG 4.41Å; R44-E46 WeakPolarHBondContact CD-OE1 3.14Å
45L80.5Confident78.9Confident116 Ų11688.6 Ų88.661%0.60744%0.441SS*.EExtended strand (participates in β ladder)trans-107.3120170.1-68.2172.7000107.6V38 R40V38-L45 HydrophobicContact CG1-CB 4.18Å; V38-L45 HydrophobicContact CG1-CD2 4.28Å; R40-L45 HydrophobicContact CB-CD2 4.03Å; R40-L45 HydrophobicContact CG-CD2 4.36Å
46E83.3Confident79.9Confident93 Ų9392.7 Ų92.744%0.43546%0.458SS..EExtended strand (participates in β ladder)trans-138.4165.3-177.4-63.2176.4-172.600109.1C39 Y41 R44C39-E46 PolarHBondContact N-O 3.31Å; C39-E46 PolarHBondContact O-N 2.03Å; C39-E46 VanDerWaalsContact O-O 3.08Å; Y41-E46 HydrophobicContact CD2-CB 3.97Å; Y41-E46 HydrophobicContact CE2-CB 4.2Å; R44-E46 HydrophobicContact CB-CG 4.41Å; R44-E46 WeakPolarHBondContact CD-OE1 3.14Å
47C84.3Confident80.3Confident26 Ų2691.1 Ų91.118%0.17645%0.448CS..EExtended strand (participates in β ladder)trans-65.8138.1175-60.70000110G37 W51 C59G37-C47 CarbonylContact O-C 3.57Å; G37-C47 WeakPolarHBondContact O-CA 3.42Å; C47-W51 HydrophobicContact CB-CB 3.95Å; C47-W51 WeakPolarHBondContact CB-O 3.48Å; C47-C59 WeakPolarHBondContact CA-SG 3.3Å; C47-C59 HydrophobicContact CB-CB 3.83Å; C47-C59 WeakPolarHBondContact CB-SG 3.41Å; C47-C59 VanDerWaalsContact SG-CA 3.54Å; C47-C59 WeakPolarHBondContact SG-CB 3.42Å; C47-C59 CovalentContact SG-SG 2.04Å; C47-C59 PolarHBondContact SG-SG 2.95Å
48C81.8Confident80.6Confident11 Ų1195.2 Ų95.27%0.07447%0.466CS..PPolyproline II helixtrans-60.4159.2173.9-61.80000110.2G37 C39 G50 W51G37-C48 VanDerWaalsContact C-SG 3.53Å; G37-C48 PolarHBondContact O-N 3.38Å; G37-C48 PolarHBondContact O-SG 3.23Å; G37-C48 VanDerWaalsContact O-SG 3.41Å; C39-C48 HydrophobicContact CB-CB 3.97Å; C39-C48 WeakPolarHBondContact CB-SG 3.06Å; C39-C48 PolarHBondContact N-SG 3.44Å; C39-C48 WeakPolarHBondContact SG-CB 3.45Å; C39-C48 CovalentContact SG-SG 2.03Å; C39-C48 PolarHBondContact SG-SG 3.43Å; C48-G50 PolarHBondContact O-N 3.13Å; C48-W51 HydrophobicContact CB-CG 4.45Å; C48-W51 WeakPolarHBondContact O-CB 2.98Å; C48-W51 PolarHBondContact O-N 3.37Å
49Y77.8Confident80.6Confident214 Ų21494.8 Ų94.884%0.83947%0.465SS*.THydrogen-bonded Turntrans-51.1128.7175-176.1-98.5000111.5W51Y49-W51 VanDerWaalsContact C-N 3.35Å
50G73.4Confident80.7Confident29 Ų2999.4 Ų99.430%0.29949%0.485SS..THydrogen-bonded Turntrans7613.5-17700000115.9C48 Q62C48-G50 PolarHBondContact O-N 3.13Å; G50-Q62 WeakPolarHBondContact O-CB 3.41Å; G50-Q62 PolarHBondContact O-N 3.45Å; G50-Q62 VanDerWaalsContact O-N 3.16Å
51W83.5Confident80.7Confident37 Ų3792.8 Ų92.814%0.1446%0.464CS..EExtended strand (participates in β ladder)trans-112.1137.2166.6-65.571.1000110A36 G37 C47 C48 Y49 C59 E60 A61A36-W51 HydrophobicContact CB-CH2 3.77Å; A36-W51 HydrophobicContact CB-CZ3 3.99Å; G37-W51 VanDerWaalsContact CA-CE2 3.49Å; C47-W51 HydrophobicContact CB-CB 3.95Å; C47-W51 WeakPolarHBondContact CB-O 3.48Å; C48-W51 HydrophobicContact CB-CG 4.45Å; C48-W51 WeakPolarHBondContact O-CB 2.98Å; C48-W51 PolarHBondContact O-N 3.37Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; W51-C59 HydrophobicContact CB-CB 4.2Å; W51-C59 HydrophobicContact CE3-CB 4.2Å; W51-E60 CarbonylContact C-O 3.52Å; W51-E60 VanDerWaalsContact CA-O 3.28Å; W51-E60 WeakPolarHBondContact CA-O 3.04Å; W51-A61 HydrophobicContact CD2-CB 4.28Å; W51-A61 HydrophobicContact CE3-CB 4.04Å; W51-A61 VanDerWaalsContact CE3-N 3.25Å; W51-A61 HydrophobicContact CH2-CB 3.92Å; W51-A61 HydrophobicContact CZ2-CB 4.17Å; W51-A61 HydrophobicContact CZ3-CB 3.87Å
52V83Confident81Confident80 Ų8093.6 Ų93.649%0.48547%0.47SS..EExtended strand (participates in β ladder)trans-112.4142-177.5-177.30000109.7N54 C59 E60 Q62V52-N54 PolarHBondContact O-N 2.96Å; V52-C59 WeakPolarHBondContact O-CA 3.4Å; V52-E60 PolarHBondContact N-O 2.86Å; V52-E60 PolarHBondContact O-N 2.86Å; V52-Q62 HydrophobicContact CG2-CB 4.17Å; V52-Q62 HydrophobicContact CG2-CG 4.36Å
53K85.1Confident81.2Confident142 Ų14291.3 Ų91.362%0.61744%0.443SS*.EExtended strand (participates in β ladder)trans-80119.1179-161.4174.4-173.3175.10109.9G57 Q58K53-G57 WeakPolarHBondContact CE-O 3.36Å; K53-Q58 CarbonylContact C-O 3.55Å; K53-Q58 WeakPolarHBondContact CA-O 3.47Å
54N81.4Confident81.4Confident28 Ų2887.6 Ų87.615%0.1543%0.429CS..  trans-73.9172.7175.675.49000111.6V52 K56 G57 Q58 E60V52-N54 PolarHBondContact O-N 2.96Å; N54-K56 PolarHBondContact O-N 3.04Å; N54-K56 WeakPolarHBondContact OD1-CA 3.33Å; N54-K56 WeakPolarHBondContact OD1-CB 3.33Å; N54-K56 PolarHBondContact OD1-N 2.8Å; N54-G57 PolarHBondContact O-N 3.04Å; N54-G57 PolarHBondContact OD1-N 2.94Å; N54-Q58 PolarHBondContact N-O 3.12Å; N54-Q58 PolarHBondContact ND2-OE1 3.49Å; N54-Q58 PolarHBondContact OD1-N 2.98Å; N54-Q58 PolarHBondContact OD1-O 3.22Å; N54-E60 HydrophobicContact CB-CG 4.29Å; N54-E60 PolarHBondContact ND2-OE1 2.89Å
55N81.1Confident81.6Confident179 Ų17984.8 Ų84.896%0.95742%0.424SS*.THydrogen-bonded Turntrans-61.5-17.2179.7-65.1-20.3000114G57N55-G57 VanDerWaalsContact C-N 3.35Å
56K82.2Confident81.7Confident181 Ų18179.6 Ų79.679%0.78740%0.398SS*.THydrogen-bonded Turntrans-92.42175.7-62.1177.6-179.6174.60112.5N54N54-K56 PolarHBondContact O-N 3.04Å; N54-K56 WeakPolarHBondContact OD1-CA 3.33Å; N54-K56 WeakPolarHBondContact OD1-CB 3.33Å; N54-K56 PolarHBondContact OD1-N 2.8Å
57G78.1Confident81.8Confident33 Ų3376.2 Ų76.234%0.3439%0.385SS..SBendtrans79.812.217900000115.3K53 N54 N55K53-G57 WeakPolarHBondContact CE-O 3.36Å; N54-G57 PolarHBondContact O-N 3.04Å; N54-G57 PolarHBondContact OD1-N 2.94Å; N55-G57 VanDerWaalsContact C-N 3.35Å
58Q82Confident81.7Confident87 Ų8778.7 Ų78.741%0.40739%0.393SS..  trans-93.9148.6177.9-60.2171-41.200110.5K53 N54K53-Q58 CarbonylContact C-O 3.55Å; K53-Q58 WeakPolarHBondContact CA-O 3.47Å; N54-Q58 PolarHBondContact N-O 3.12Å; N54-Q58 PolarHBondContact ND2-OE1 3.49Å; N54-Q58 PolarHBondContact OD1-N 2.98Å; N54-Q58 PolarHBondContact OD1-O 3.22Å
59C83.6Confident81.8Confident17 Ų1780.4 Ų80.412%0.11540%0.399CS..EExtended strand (participates in β ladder)trans-83.8119.7176-59.30000109.9V38 C47 W51 V52V38-C59 HydrophobicContact CG2-CB 4.39Å; C47-C59 WeakPolarHBondContact CA-SG 3.3Å; C47-C59 HydrophobicContact CB-CB 3.83Å; C47-C59 WeakPolarHBondContact CB-SG 3.41Å; C47-C59 VanDerWaalsContact SG-CA 3.54Å; C47-C59 WeakPolarHBondContact SG-CB 3.42Å; C47-C59 CovalentContact SG-SG 2.04Å; C47-C59 PolarHBondContact SG-SG 2.95Å; W51-C59 HydrophobicContact CB-CB 4.2Å; W51-C59 HydrophobicContact CE3-CB 4.2Å; V52-C59 WeakPolarHBondContact O-CA 3.4Å
60E83.6Confident82.2Confident110 Ų11070.8 Ų70.851%0.51437%0.366SS..EExtended strand (participates in β ladder)trans-106.4143.5173.7-75.5175.5-174.800110W51 V52 N54W51-E60 CarbonylContact C-O 3.52Å; W51-E60 VanDerWaalsContact CA-O 3.28Å; W51-E60 WeakPolarHBondContact CA-O 3.04Å; V52-E60 PolarHBondContact N-O 2.86Å; V52-E60 PolarHBondContact O-N 2.86Å; N54-E60 HydrophobicContact CB-CG 4.29Å; N54-E60 PolarHBondContact ND2-OE1 2.89Å
61A82Confident82.9Confident18 Ų1874.6 Ų74.615%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-70.2135.6179.200000110.1W51 C72W51-A61 HydrophobicContact CD2-CB 4.28Å; W51-A61 HydrophobicContact CE3-CB 4.04Å; W51-A61 VanDerWaalsContact CE3-N 3.25Å; W51-A61 HydrophobicContact CH2-CB 3.92Å; W51-A61 HydrophobicContact CZ2-CB 4.17Å; W51-A61 HydrophobicContact CZ3-CB 3.87Å; A61-C72 HydrophobicContact CB-CB 4.32Å; A61-C72 PolarHBondContact O-SG 2.8Å
62Q83.3Confident83Confident102 Ų10275 Ų7548%0.47738%0.383SS..  trans-101.2125.6176.8-169.969.99.300110.6G50 V52 C72 P75 N76G50-Q62 WeakPolarHBondContact O-CB 3.41Å; G50-Q62 PolarHBondContact O-N 3.45Å; G50-Q62 VanDerWaalsContact O-N 3.16Å; V52-Q62 HydrophobicContact CG2-CB 4.17Å; V52-Q62 HydrophobicContact CG2-CG 4.36Å; Q62-C72 VanDerWaalsContact C-SG 3.54Å; Q62-P75 WeakPolarHBondContact O-CA 3.25Å; Q62-N76 PolarHBondContact O-N 2.79Å
63C83.6Confident83.2Confident20 Ų2074.1 Ų74.114%0.13538%0.378CS..  trans-119.2106.6172.6-70.50000108.6H65 G66 C72C63-H65 VanDerWaalsContact C-N 3.33Å; C63-H65 PolarHBondContact O-N 3.42Å; C63-G66 PolarHBondContact O-N 3.1Å; C63-G66 VanDerWaalsContact O-N 3.14Å; C63-C72 HydrophobicContact CB-CB 3.99Å; C63-C72 WeakPolarHBondContact CB-SG 3.04Å; C63-C72 PolarHBondContact N-SG 2.04Å; C63-C72 VanDerWaalsContact N-SG 3.37Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.05Å; C63-C72 PolarHBondContact SG-SG 1.96Å
64E79.8Confident83.2Confident138 Ų13867.6 Ų67.665%0.64535%0.351SS*.THydrogen-bonded Turntrans-59.4-42.2-176-69.4172.9153.700112.2G66 N76E64-G66 VanDerWaalsContact C-N 3.35Å; E64-N76 PolarHBondContact N-OD1 3.03Å; E64-N76 PolarHBondContact OE2-ND2 3.37Å
65H80.2Confident83.2Confident120 Ų12069.3 Ų69.356%0.55636%0.364SS*.THydrogen-bonded Turntrans-90.50.7-179.9-59.491.1000113.4C63 T88C63-H65 VanDerWaalsContact C-N 3.33Å; C63-H65 PolarHBondContact O-N 3.42Å; H65-T88 HydrophobicContact CB-CG2 3.89Å
66G81.9Confident83.3Confident7 Ų764.8 Ų64.87%0.07234%0.34CS..  trans65.4165.7-175.200000114.5C63 E64C63-G66 PolarHBondContact O-N 3.1Å; C63-G66 VanDerWaalsContact O-N 3.14Å; E64-G66 VanDerWaalsContact C-N 3.35Å
67C86.8Confident83.5Confident22 Ų2262.7 Ų62.715%0.14933%0.331CS..  trans-111.9111.6171-52.70000107.7G70 C78C67-G70 WeakPolarHBondContact CB-O 3.28Å; C67-C78 WeakPolarHBondContact CA-SG 3.01Å; C67-C78 HydrophobicContact CB-CB 3.72Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 WeakPolarHBondContact SG-CA 3.33Å; C67-C78 WeakPolarHBondContact SG-CB 3.44Å; C67-C78 CovalentContact SG-SG 2.03Å; C67-C78 PolarHBondContact SG-SG 3.41Å
68K80.8Confident84Confident78 Ų7862.3 Ų62.334%0.33932%0.323SS..THydrogen-bonded Turntrans-64-61.8-172.5-110.7-100.1-176.9167.80112.5T88 C89 N90 Y213K68-T88 PolarHBondContact N-O 3.36Å; K68-C89 WeakPolarHBondContact CB-O 3.33Å; K68-N90 HydrophobicContact CB-CB 4.39Å; K68-N90 HydrophobicContact CG-CB 4.36Å; K68-Y213 HydrophobicContact CB-CE2 4.23Å; K68-Y213 HydrophobicContact CD-CD2 3.68Å; K68-Y213 HydrophobicContact CD-CE2 3.94Å; K68-Y213 HydrophobicContact CD-CG 4.25Å; K68-Y213 HydrophobicContact CG-CD2 3.34Å; K68-Y213 HydrophobicContact CG-CE1 4.45Å; K68-Y213 HydrophobicContact CG-CE2 3.04Å; K68-Y213 HydrophobicContact CG-CG 4.19Å
69H84.2Confident84.4Confident46 Ų4664.5 Ų64.521%0.21333%0.331CS..THydrogen-bonded Turntrans-118.562.6177.5-52.3117.9000107.5F81 Y84 C89 H111H69-F81 HydrophobicContact CB-CD2 4.14Å; H69-F81 WeakPolarHBondContact O-CB 3.42Å; H69-F81 WeakPolarHBondContact O-CD2 3.43Å; H69-F81 WeakPolarHBondContact O-CG 2.97Å; H69-F81 PolarHBondContact O-N 3.27Å; H69-Y84 HydrophobicContact CB-CD1 3.84Å; H69-Y84 HydrophobicContact CB-CD2 3.41Å; H69-Y84 VanDerWaalsContact CB-CD2 3.41Å; H69-Y84 HydrophobicContact CB-CE1 4.06Å; H69-Y84 HydrophobicContact CB-CE2 3.66Å; H69-Y84 HydrophobicContact CB-CG 3.48Å; H69-Y84 VanDerWaalsContact CB-CG 3.48Å; H69-Y84 AromaticContact CD2-CZ 3.94Å; H69-Y84 AromaticContact CE1-CE1 3.42Å; H69-Y84 VanDerWaalsContact CE1-CE1 3.42Å; H69-Y84 WeakPolarHBondContact CE1-CE1 3.41Å; H69-Y84 AromaticContact CE1-CZ 3.88Å; H69-Y84 AromaticContact CG-CD1 3.73Å; H69-Y84 AromaticContact CG-CD2 3.98Å; H69-Y84 AromaticContact CG-CE1 3.55Å; H69-Y84 AromaticContact CG-CE2 3.83Å; H69-Y84 AromaticContact CG-CG 3.92Å; H69-Y84 AromaticContact CG-CZ 3.58Å; H69-Y84 AromaticContact ND1-CD1 3.21Å; H69-Y84 WeakPolarHBondContact ND1-CD1 3.42Å; H69-Y84 AromaticContact ND1-CE1 3.05Å; H69-Y84 WeakPolarHBondContact ND1-CE1 2.97Å; H69-Y84 AromaticContact ND1-CG 3.84Å; H69-Y84 AromaticContact ND1-CZ 3.59Å; H69-C89 PolarHBondContact N-O 2.72Å; H69-C89 PolarHBondContact ND1-O 3.25Å; H69-C89 WeakPolarHBondContact O-CB 2.85Å; H69-H111 AromaticContact CE1-NE2 3.9Å
70G86.9Confident84.7Confident13 Ų1365.4 Ų65.413%0.13434%0.337CS..EExtended strand (participates in β ladder)trans-176.6179.7-178.100000113.8C67 K79C67-G70 WeakPolarHBondContact CB-O 3.28Å; G70-K79 CarbonylContact C-O 3.57Å; G70-K79 WeakPolarHBondContact CA-O 3.36Å
71E87.3Confident85Confident108 Ų10864.8 Ų64.851%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-110.1137.9-179.2-65.7175.5167.500110.6V73 C78 K79 F81E71-V73 HydrophobicContact CB-CG1 4.39Å; E71-V73 PolarHBondContact O-N 2.83Å; E71-C78 CarbonylContact O-C 3.58Å; E71-C78 WeakPolarHBondContact O-CA 3.09Å; E71-K79 PolarHBondContact N-O 3.27Å; E71-K79 PolarHBondContact O-N 2.93Å; E71-F81 HydrophobicContact CG-CE1 3.84Å; E71-F81 HydrophobicContact CG-CZ 4.29Å
72C86.8Confident85.3Confident45 Ų4569.8 Ų69.830%0.30436%0.363SS..EExtended strand (participates in β ladder)trans-75.7107.8171.4-167.70000108.5A61 Q62 C63 G74A61-C72 HydrophobicContact CB-CB 4.32Å; A61-C72 PolarHBondContact O-SG 2.8Å; Q62-C72 VanDerWaalsContact C-SG 3.54Å; C63-C72 HydrophobicContact CB-CB 3.99Å; C63-C72 WeakPolarHBondContact CB-SG 3.04Å; C63-C72 PolarHBondContact N-SG 2.04Å; C63-C72 VanDerWaalsContact N-SG 3.37Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.05Å; C63-C72 PolarHBondContact SG-SG 1.96Å; C72-G74 PolarHBondContact SG-O 3.38Å
73V87Confident85.3Confident63 Ų6365.2 Ų65.238%0.38234%0.344SS..EExtended strand (participates in β ladder)trans-103-7.5-177.3-64.70000112.6E71 K77 K79E71-V73 HydrophobicContact CB-CG1 4.39Å; E71-V73 PolarHBondContact O-N 2.83Å; V73-K77 HydrophobicContact CG2-CD 4.48Å; V73-K77 HydrophobicContact CG2-CG 4.16Å; V73-K77 WeakPolarHBondContact CG2-O 3.45Å; V73-K77 PolarHBondContact N-O 3.36Å; V73-K79 HydrophobicContact CB-CB 4.45Å; V73-K79 HydrophobicContact CG1-CB 3.55Å; V73-K79 HydrophobicContact CG1-CD 4.18Å; V73-K79 HydrophobicContact CG2-CB 4.01Å
74G83.8Confident85.6Confident5 Ų566.3 Ų66.35%0.05235%0.345CS..EExtended strand (participates in β ladder)trans-171.2177.1177.200000111.5C72 N76 K77C72-G74 PolarHBondContact SG-O 3.38Å; G74-N76 PolarHBondContact O-N 3.39Å; G74-N76 VanDerWaalsContact O-N 3.1Å; G74-K77 PolarHBondContact N-O 3.15Å; G74-K77 PolarHBondContact O-N 3.12Å
75P82Confident86.1Confident64 Ų6462.5 Ų62.542%0.41633%0.332SS..THydrogen-bonded Turntrans-59.6116.5-177.725.4-34.4000110.4Q62 K77Q62-P75 WeakPolarHBondContact O-CA 3.25Å; P75-K77 PolarHBondContact O-N 3.04Å
76N82.8Confident86.6Confident83 Ų8358 Ų5844%0.44432%0.318SS..THydrogen-bonded Turntrans49.129.9-173.7-71.9-26.5000114Q62 E64 G74Q62-N76 PolarHBondContact O-N 2.79Å; E64-N76 PolarHBondContact N-OD1 3.03Å; E64-N76 PolarHBondContact OE2-ND2 3.37Å; G74-N76 PolarHBondContact O-N 3.39Å; G74-N76 VanDerWaalsContact O-N 3.1Å
77K86.5Confident86.9Confident138 Ų13866.9 Ų66.960%0.635%0.354SS*.EExtended strand (participates in β ladder)trans-121.4111.5179.7-170.6175.8-177.2176.80110.4V73 G74 P75V73-K77 HydrophobicContact CG2-CD 4.48Å; V73-K77 HydrophobicContact CG2-CG 4.16Å; V73-K77 WeakPolarHBondContact CG2-O 3.45Å; V73-K77 PolarHBondContact N-O 3.36Å; G74-K77 PolarHBondContact N-O 3.15Å; G74-K77 PolarHBondContact O-N 3.12Å; P75-K77 PolarHBondContact O-N 3.04Å
78C89.7Confident86.9Confident25 Ų2567.1 Ų67.117%0.16936%0.355CS..EExtended strand (participates in β ladder)trans-95.6138.8177-61.80000111.6C67 E71 K87 C89C67-C78 WeakPolarHBondContact CA-SG 3.01Å; C67-C78 HydrophobicContact CB-CB 3.72Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 WeakPolarHBondContact SG-CA 3.33Å; C67-C78 WeakPolarHBondContact SG-CB 3.44Å; C67-C78 CovalentContact SG-SG 2.03Å; C67-C78 PolarHBondContact SG-SG 3.41Å; E71-C78 CarbonylContact O-C 3.58Å; E71-C78 WeakPolarHBondContact O-CA 3.09Å; C78-K87 WeakPolarHBondContact CB-O 3.33Å; C78-K87 PolarHBondContact SG-O 2.81Å; C78-C89 VanDerWaalsContact CB-SG 3.51Å
79K90.7Very high87.3Confident132 Ų13263.4 Ų63.457%0.57434%0.339SS*.EExtended strand (participates in β ladder)trans-100.1110.6162178.9-174175.1-168.30107.4G70 E71 V73G70-K79 CarbonylContact C-O 3.57Å; G70-K79 WeakPolarHBondContact CA-O 3.36Å; E71-K79 PolarHBondContact N-O 3.27Å; E71-K79 PolarHBondContact O-N 2.93Å; V73-K79 HydrophobicContact CB-CB 4.45Å; V73-K79 HydrophobicContact CG1-CB 3.55Å; V73-K79 HydrophobicContact CG1-CD 4.18Å; V73-K79 HydrophobicContact CG2-CB 4.01Å
80C90.1Very high87.4Confident36 Ų3664.4 Ų64.424%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-72.3147-177.6-53.20000111.9Y84 C89C80-Y84 WeakPolarHBondContact CB-O 3.27Å; C80-C89 WeakPolarHBondContact CA-SG 3.48Å; C80-C89 HydrophobicContact CB-CB 3.67Å; C80-C89 WeakPolarHBondContact CB-SG 3.19Å; C80-C89 PolarHBondContact N-SG 2.79Å; C80-C89 VanDerWaalsContact N-SG 3.42Å; C80-C89 WeakPolarHBondContact SG-CA 3.17Å; C80-C89 WeakPolarHBondContact SG-CB 3.18Å; C80-C89 CovalentContact SG-SG 2.04Å; C80-C89 PolarHBondContact SG-SG 3.13Å
81F89.4Confident87.4Confident97 Ų9769.1 Ų69.143%0.42537%0.365SS..PPolyproline II helixtrans-65.1155.1164.5-61.1-34.3000109.6H69 E71 G83 Y84H69-F81 HydrophobicContact CB-CD2 4.14Å; H69-F81 WeakPolarHBondContact O-CB 3.42Å; H69-F81 WeakPolarHBondContact O-CD2 3.43Å; H69-F81 WeakPolarHBondContact O-CG 2.97Å; H69-F81 PolarHBondContact O-N 3.27Å; E71-F81 HydrophobicContact CG-CE1 3.84Å; E71-F81 HydrophobicContact CG-CZ 4.29Å; F81-G83 PolarHBondContact O-N 3.04Å; F81-Y84 HydrophobicContact CB-CD2 4.31Å; F81-Y84 PolarHBondContact O-N 3.38Å
82P87.3Confident87.4Confident123 Ų12366.1 Ų66.180%0.79935%0.352SS*.THydrogen-bonded Turntrans-51.8141.1173.4-24.634.4000111.4
83G83.8Confident87.6Confident6 Ų666.4 Ų66.46%0.06235%0.35CS..THydrogen-bonded Turntrans85.41.7-17700000115.2F81 L93 E95F81-G83 PolarHBondContact O-N 3.04Å; G83-L93 WeakPolarHBondContact O-CB 3.4Å; G83-L93 PolarHBondContact O-N 2.78Å; G83-E95 WeakPolarHBondContact CA-OE1 3.46Å
84Y90Very high87.7Confident44 Ų4467.4 Ų67.417%0.17335%0.353CS..EExtended strand (participates in β ladder)trans-130.1151.4178.5-60.1-82.9000112.7H69 C80 F81 Q91 H111 G112H69-Y84 HydrophobicContact CB-CD1 3.84Å; H69-Y84 HydrophobicContact CB-CD2 3.41Å; H69-Y84 VanDerWaalsContact CB-CD2 3.41Å; H69-Y84 HydrophobicContact CB-CE1 4.06Å; H69-Y84 HydrophobicContact CB-CE2 3.66Å; H69-Y84 HydrophobicContact CB-CG 3.48Å; H69-Y84 VanDerWaalsContact CB-CG 3.48Å; H69-Y84 AromaticContact CD2-CZ 3.94Å; H69-Y84 AromaticContact CE1-CE1 3.42Å; H69-Y84 VanDerWaalsContact CE1-CE1 3.42Å; H69-Y84 WeakPolarHBondContact CE1-CE1 3.41Å; H69-Y84 AromaticContact CE1-CZ 3.88Å; H69-Y84 AromaticContact CG-CD1 3.73Å; H69-Y84 AromaticContact CG-CD2 3.98Å; H69-Y84 AromaticContact CG-CE1 3.55Å; H69-Y84 AromaticContact CG-CE2 3.83Å; H69-Y84 AromaticContact CG-CG 3.92Å; H69-Y84 AromaticContact CG-CZ 3.58Å; H69-Y84 AromaticContact ND1-CD1 3.21Å; H69-Y84 WeakPolarHBondContact ND1-CD1 3.42Å; H69-Y84 AromaticContact ND1-CE1 3.05Å; H69-Y84 WeakPolarHBondContact ND1-CE1 2.97Å; H69-Y84 AromaticContact ND1-CG 3.84Å; H69-Y84 AromaticContact ND1-CZ 3.59Å; C80-Y84 WeakPolarHBondContact CB-O 3.27Å; F81-Y84 HydrophobicContact CB-CD2 4.31Å; F81-Y84 PolarHBondContact O-N 3.38Å; Y84-Q91 CarbonylContact C-O 3.59Å; Y84-Q91 VanDerWaalsContact CA-O 3.31Å; Y84-Q91 WeakPolarHBondContact CA-O 3.42Å; Y84-H111 AromaticContact CE1-CE1 3.91Å; Y84-H111 AromaticContact CE1-NE2 3.77Å; Y84-G112 VanDerWaalsContact CZ-CA 3.48Å
85T90.9Very high88.1Confident58 Ų5867.9 Ų67.936%0.35635%0.354SS..EExtended strand (participates in β ladder)trans-141178.8-179.1-166.80000111.9C89 Q91 L93T85-C89 VanDerWaalsContact O-CA 3.32Å; T85-C89 WeakPolarHBondContact O-CA 3.48Å; T85-Q91 HydrophobicContact CG2-CB 3.8Å; T85-Q91 PolarHBondContact N-O 2.55Å; T85-Q91 WeakPolarHBondContact O-CB 3Å; T85-Q91 PolarHBondContact O-N 3.33Å; T85-L93 HydrophobicContact CG2-CB 4.48Å; T85-L93 HydrophobicContact CG2-CD1 4.43Å
86G89.6Confident88.5Confident26 Ų2666 Ų6627%0.26834%0.342SS..SBendtrans90.5166.6-179.100000114T88 C89G86-T88 PolarHBondContact O-N 2.89Å; G86-C89 PolarHBondContact O-N 2.84Å
87K88.2Confident88.9Confident193 Ų19364.8 Ų64.884%0.83935%0.35SS*.THydrogen-bonded Turntrans-60.8-31-174-66-179.3-178.7174.50113.4C78C78-K87 WeakPolarHBondContact CB-O 3.33Å; C78-K87 PolarHBondContact SG-O 2.81Å
88T87.4Confident89.1Confident26 Ų2661.9 Ų61.916%0.1634%0.34CS..THydrogen-bonded Turntrans-112.49.5179.556.90000113.3H65 K68 G86 N90 Y213H65-T88 HydrophobicContact CB-CG2 3.89Å; K68-T88 PolarHBondContact N-O 3.36Å; G86-T88 PolarHBondContact O-N 2.89Å; T88-N90 PolarHBondContact O-N 3.35Å; T88-N90 VanDerWaalsContact OG1-CG 3.25Å; T88-N90 PolarHBondContact OG1-OD1 2.64Å; T88-Y213 PolarHBondContact OG1-OH 2.05Å
89C89.3Confident89.1Confident0 Ų070.4 Ų70.40%037%0.374CS..SBendtrans55.736.4-178-47.70000113.4K68 H69 C78 C80 T85 G86K68-C89 WeakPolarHBondContact CB-O 3.33Å; H69-C89 PolarHBondContact N-O 2.72Å; H69-C89 PolarHBondContact ND1-O 3.25Å; H69-C89 WeakPolarHBondContact O-CB 2.85Å; C78-C89 VanDerWaalsContact CB-SG 3.51Å; C80-C89 WeakPolarHBondContact CA-SG 3.48Å; C80-C89 HydrophobicContact CB-CB 3.67Å; C80-C89 WeakPolarHBondContact CB-SG 3.19Å; C80-C89 PolarHBondContact N-SG 2.79Å; C80-C89 VanDerWaalsContact N-SG 3.42Å; C80-C89 WeakPolarHBondContact SG-CA 3.17Å; C80-C89 WeakPolarHBondContact SG-CB 3.18Å; C80-C89 CovalentContact SG-SG 2.04Å; C80-C89 PolarHBondContact SG-SG 3.13Å; T85-C89 VanDerWaalsContact O-CA 3.32Å; T85-C89 WeakPolarHBondContact O-CA 3.48Å; G86-C89 PolarHBondContact O-N 2.84Å
90N85.9Confident89Confident68 Ų6870 Ų7036%0.36439%0.386SS..  trans-98.4-13179.866.2-27.7000112.7K68 T88K68-N90 HydrophobicContact CB-CB 4.39Å; K68-N90 HydrophobicContact CG-CB 4.36Å; T88-N90 PolarHBondContact O-N 3.35Å; T88-N90 VanDerWaalsContact OG1-CG 3.25Å; T88-N90 PolarHBondContact OG1-OD1 2.64Å
91Q87.2Confident88.8Confident112 Ų11275.7 Ų75.752%0.52340%0.402SS..EExtended strand (participates in β ladder)trans-95.8140.7179.4-67.5168.3-11.300109.3Y84 T85Y84-Q91 CarbonylContact C-O 3.59Å; Y84-Q91 VanDerWaalsContact CA-O 3.31Å; Y84-Q91 WeakPolarHBondContact CA-O 3.42Å; T85-Q91 HydrophobicContact CG2-CB 3.8Å; T85-Q91 PolarHBondContact N-O 2.55Å; T85-Q91 WeakPolarHBondContact O-CB 3Å; T85-Q91 PolarHBondContact O-N 3.33Å
92D86.8Confident88.7Confident44 Ų4473 Ų7324%0.23539%0.394CS..EExtended strand (participates in β ladder)trans-71135.7170.3-172.453.9000110N109 H111 G112D92-N109 PolarHBondContact OD2-ND2 2.9Å; D92-H111 WeakPolarHBondContact OD1-CA 3.31Å; D92-H111 IonicContact OD1-ND1 3.89Å; D92-G112 PolarHBondContact OD1-N 2.8Å
93L91.2Very high88.8Confident52 Ų5267.7 Ų67.727%0.27236%0.359SS..  trans-87.1113175.1175.966.2000108.3G83 T85 E95 L98 N109G83-L93 WeakPolarHBondContact O-CB 3.4Å; G83-L93 PolarHBondContact O-N 2.78Å; T85-L93 HydrophobicContact CG2-CB 4.48Å; T85-L93 HydrophobicContact CG2-CD1 4.43Å; L93-E95 HydrophobicContact CD2-CG 4.41Å; L93-E95 HydrophobicContact CG-CG 4.44Å; L93-E95 PolarHBondContact O-N 3.36Å; L93-L98 HydrophobicContact CD1-CD2 4.47Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-N109 PolarHBondContact O-OD1 2.92Å
94N89.6Confident89.1Confident84 Ų8472.9 Ų72.945%0.44938%0.382SS..  trans-71.996.4174.1-177.2-4.6000111.2C96 G97 N109N94-C96 PolarHBondContact O-N 3.5Å; N94-C96 WeakPolarHBondContact OD1-CB 3.06Å; N94-C96 PolarHBondContact OD1-N 3.26Å; N94-C96 VanDerWaalsContact OD1-N 3.12Å; N94-G97 PolarHBondContact O-N 2.87Å; N94-N109 WeakPolarHBondContact CA-OD1 3.44Å; N94-N109 WeakPolarHBondContact OD1-CB 3.49Å
95E91.8Very high89Confident14 Ų1473.7 Ų73.77%0.06539%0.387CS..G310 helixtrans-69-24.3-177.5-58.794.115600112.9G83 L93 G97 L98 P102 N109 S113 Y114G83-E95 WeakPolarHBondContact CA-OE1 3.46Å; L93-E95 HydrophobicContact CD2-CG 4.41Å; L93-E95 HydrophobicContact CG-CG 4.44Å; L93-E95 PolarHBondContact O-N 3.36Å; E95-G97 PolarHBondContact O-N 2.04Å; E95-L98 HydrophobicContact CB-CD1 3.98Å; E95-L98 HydrophobicContact CG-CD1 4.13Å; E95-L98 VanDerWaalsContact O-CB 3.31Å; E95-L98 WeakPolarHBondContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CG 3.15Å; E95-L98 PolarHBondContact O-N 3Å; E95-P102 HydrophobicContact CB-CG 4.2Å; E95-P102 WeakPolarHBondContact O-CD 3.37Å; E95-P102 WeakPolarHBondContact O-CG 3.41Å; E95-N109 PolarHBondContact OE2-OD1 3.18Å; E95-N109 VanDerWaalsContact OE2-OD1 3.07Å; E95-S113 WeakPolarHBondContact OE1-CA 3.16Å; E95-S113 VanDerWaalsContact OE2-C 3.29Å; E95-Y114 HydrophobicContact CB-CD1 3.41Å; E95-Y114 VanDerWaalsContact CB-CD1 3.41Å; E95-Y114 HydrophobicContact CB-CE1 3.99Å; E95-Y114 HydrophobicContact CB-CG 3.81Å; E95-Y114 VanDerWaalsContact CD-CD1 3.47Å; E95-Y114 HydrophobicContact CG-CD1 3.48Å; E95-Y114 VanDerWaalsContact CG-CD1 3.48Å; E95-Y114 HydrophobicContact CG-CE1 4.01Å; E95-Y114 HydrophobicContact CG-CG 4.31Å; E95-Y114 WeakPolarHBondContact OE2-CB 3.38Å
96C90.8Very high88.7Confident25 Ų2575 Ų7517%0.16939%0.386CS..G310 helixtrans-66.9-20.6177.6-54.30000113.2N94 C107 M108 N109N94-C96 PolarHBondContact O-N 3.5Å; N94-C96 WeakPolarHBondContact OD1-CB 3.06Å; N94-C96 PolarHBondContact OD1-N 3.26Å; N94-C96 VanDerWaalsContact OD1-N 3.12Å; C96-C107 WeakPolarHBondContact CA-SG 3.38Å; C96-C107 HydrophobicContact CB-CB 3.64Å; C96-C107 WeakPolarHBondContact CB-SG 3.21Å; C96-C107 WeakPolarHBondContact SG-CB 3.03Å; C96-C107 CovalentContact SG-SG 2.04Å; C96-C107 PolarHBondContact SG-SG 3.13Å; C96-M108 PolarHBondContact SG-N 2.97Å; C96-M108 VanDerWaalsContact SG-N 3.44Å; C96-N109 PolarHBondContact SG-N 3.13Å; C96-N109 VanDerWaalsContact SG-N 3.4Å
97G91.1Very high88.7Confident58 Ų5875.3 Ų75.360%0.59838%0.384SS*.G310 helixtrans-86-5.1173.800000114.5N94 E95N94-G97 PolarHBondContact O-N 2.87Å; E95-G97 PolarHBondContact O-N 2.04Å
98L90.3Very high88.5Confident76 Ų7668.2 Ų68.240%0.39835%0.354SS..SBendtrans-75.7153.1-178.2-60.4175.4000111.8L93 E95 P100 R101L93-L98 HydrophobicContact CD1-CD2 4.47Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; E95-L98 HydrophobicContact CB-CD1 3.98Å; E95-L98 HydrophobicContact CG-CD1 4.13Å; E95-L98 VanDerWaalsContact O-CB 3.31Å; E95-L98 WeakPolarHBondContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CG 3.15Å; E95-L98 PolarHBondContact O-N 3Å; L98-P100 CarbonylContact C-O 3.46Å; L98-P100 CarbonylContact O-C 3.46Å; L98-P100 VanDerWaalsContact O-C 3.31Å; L98-R101 WeakPolarHBondContact O-CA 3.01Å; L98-R101 PolarHBondContact O-N 2.64Å
99K89.5Confident88.3Confident204 Ų20469.5 Ų69.589%0.88736%0.36SS*.SBendtrans-118.2121.8171.7-67.1-174.3179.9-176.90108.9
100P89.2Confident87.9Confident125 Ų12571.3 Ų71.381%0.81237%0.371SS*.SBendcis-66.8152.2-330.1-35000112.3L98L98-P100 CarbonylContact C-O 3.46Å; L98-P100 CarbonylContact O-C 3.46Å; L98-P100 VanDerWaalsContact O-C 3.31Å
101R86Confident87.6Confident155 Ų15574 Ų7459%0.58538%0.381SS*.  trans-63.9139.2176-75.3-174.6178.6138.8-0.6109.4L98 C103L98-R101 WeakPolarHBondContact O-CA 3.01Å; L98-R101 PolarHBondContact O-N 2.64Å; R101-C103 VanDerWaalsContact C-N 3.33Å; R101-C103 PolarHBondContact O-N 2.85Å
102P87.9Confident87.3Confident40 Ų4069.5 Ų69.526%0.2637%0.365SS..SBendtrans-79.9-14.5-172.933.1-38.3000114E95 Y114E95-P102 HydrophobicContact CB-CG 4.2Å; E95-P102 WeakPolarHBondContact O-CD 3.37Å; E95-P102 WeakPolarHBondContact O-CG 3.41Å; P102-Y114 HydrophobicContact CB-CD2 4.17Å; P102-Y114 HydrophobicContact CB-CE1 4.3Å; P102-Y114 HydrophobicContact CB-CE2 3.49Å; P102-Y114 VanDerWaalsContact CB-CE2 3.49Å; P102-Y114 HydrophobicContact CG-CD2 3.94Å; P102-Y114 HydrophobicContact CG-CE2 3.8Å; P102-Y114 HydrophobicContact CG-CG 4.44Å
103C88.8Confident87.3Confident11 Ų1170.1 Ų70.17%0.07437%0.372CS..SBendtrans-117.4146179.1-55.20000110.5R101 R106 C107 C116R101-C103 VanDerWaalsContact C-N 3.33Å; R101-C103 PolarHBondContact O-N 2.85Å; C103-R106 WeakPolarHBondContact CB-O 3.18Å; C103-C107 HydrophobicContact CB-CB 3.88Å; C103-C107 VanDerWaalsContact SG-CB 3.53Å; C103-C107 VanDerWaalsContact SG-SG 3.63Å; C103-C116 VanDerWaalsContact CA-SG 3.5Å; C103-C116 HydrophobicContact CB-CB 3.63Å; C103-C116 WeakPolarHBondContact CB-SG 3.41Å; C103-C116 WeakPolarHBondContact SG-CA 3.04Å; C103-C116 WeakPolarHBondContact SG-CB 3.16Å; C103-C116 CovalentContact SG-SG 2.03Å; C103-C116 PolarHBondContact SG-SG 2.62Å
104E89.1Confident87Confident116 Ų11671.8 Ų71.854%0.54238%0.376SS..SBendtrans-70.1-46.7178.4-175.2176.3177.200112.5S129 C130E104-S129 WeakPolarHBondContact OE2-CA 3.04Å; E104-S129 WeakPolarHBondContact OE2-CB 3.16Å; E104-C130 PolarHBondContact OE2-N 2.88Å
105H87.8Confident86.8Confident60 Ų6072.1 Ų72.128%0.27837%0.373SS..SBendtrans-105.3-92.8-179.1-72.9145.6000112.4Y117 L119 Y122 C130H105-Y117 WeakPolarHBondContact CB-O 3.39Å; H105-L119 HydrophobicContact CB-CG 4.11Å; H105-Y122 AromaticContact CE1-CD1 3.67Å; H105-Y122 AromaticContact CE1-CD2 3.91Å; H105-Y122 AromaticContact CE1-CE1 3.8Å; H105-Y122 AromaticContact CE1-CG 3.74Å; H105-C130 VanDerWaalsContact CE1-CB 3.46Å; H105-C130 WeakPolarHBondContact CE1-CB 3.06Å; H105-C130 WeakPolarHBondContact ND1-CB 3Å; H105-C130 PolarHBondContact ND1-SG 3.43Å
106R86.4Confident86.5Confident86 Ų8672.1 Ų72.133%0.32537%0.374SS..EExtended strand (participates in β ladder)trans-102.1139.5-179.8-87.2-168.2-92.8-98.88110.7C103 C116 Y117 Q142C103-R106 WeakPolarHBondContact CB-O 3.18Å; R106-C116 CarbonylContact O-C 3.59Å; R106-C116 WeakPolarHBondContact O-CA 3.3Å; R106-Y117 PolarHBondContact N-O 3.28Å; R106-Y117 PolarHBondContact O-N 3.14Å; R106-Q142 PolarHBondContact NH2-O 3.44Å
107C88.2Confident86.2Confident33 Ų3372.1 Ų72.122%0.22337%0.371CS..EExtended strand (participates in β ladder)trans-120.2137.3173.3-176.70000109.2C96 C103C96-C107 WeakPolarHBondContact CA-SG 3.38Å; C96-C107 HydrophobicContact CB-CB 3.64Å; C96-C107 WeakPolarHBondContact CB-SG 3.21Å; C96-C107 WeakPolarHBondContact SG-CB 3.03Å; C96-C107 CovalentContact SG-SG 2.04Å; C96-C107 PolarHBondContact SG-SG 3.13Å; C103-C107 HydrophobicContact CB-CB 3.88Å; C103-C107 VanDerWaalsContact SG-CB 3.53Å; C103-C107 VanDerWaalsContact SG-SG 3.63Å
108M84.4Confident85.9Confident43 Ų4369.3 Ų69.321%0.21234%0.343CS..EExtended strand (participates in β ladder)trans-125.3124.6171.5-169.8176.574.400109.3C96 T110 Y114 K115 Y117 P157C96-M108 PolarHBondContact SG-N 2.97Å; C96-M108 VanDerWaalsContact SG-N 3.44Å; M108-T110 HydrophobicContact CE-CG2 4.17Å; M108-Y114 CarbonylContact O-C 3.26Å; M108-Y114 WeakPolarHBondContact O-CA 3.33Å; M108-K115 PolarHBondContact N-O 3.06Å; M108-K115 PolarHBondContact O-N 3.01Å; M108-Y117 HydrophobicContact CB-CD2 4.39Å; M108-Y117 HydrophobicContact CB-CE2 3.64Å; M108-Y117 HydrophobicContact CE-CE2 4.06Å; M108-Y117 WeakPolarHBondContact CE-OH 3Å; M108-Y117 HydrophobicContact SD-CE2 4.3Å; M108-P157 HydrophobicContact CE-CB 4.15Å; M108-P157 HydrophobicContact SD-CB 4.33Å
109N84.4Confident85.7Confident53 Ų5368.5 Ų68.528%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-74.3140.2176.9-172.244.6000110.6D92 L93 N94 E95 C96D92-N109 PolarHBondContact OD2-ND2 2.9Å; L93-N109 PolarHBondContact O-OD1 2.92Å; N94-N109 WeakPolarHBondContact CA-OD1 3.44Å; N94-N109 WeakPolarHBondContact OD1-CB 3.49Å; E95-N109 PolarHBondContact OE2-OD1 3.18Å; E95-N109 VanDerWaalsContact OE2-OD1 3.07Å; C96-N109 PolarHBondContact SG-N 3.13Å; C96-N109 VanDerWaalsContact SG-N 3.4Å
110T80.8Confident85.4Confident38 Ų3861.8 Ų61.823%0.23331%0.312CS..EExtended strand (participates in β ladder)trans-135.2157.8178.361.50000109.7M108 G112 S113 K115M108-T110 HydrophobicContact CE-CG2 4.17Å; T110-G112 PolarHBondContact O-N 2.87Å; T110-S113 CarbonylContact C-O 3.56Å; T110-S113 VanDerWaalsContact C-O 3.26Å; T110-S113 VanDerWaalsContact CA-O 3.29Å; T110-S113 WeakPolarHBondContact CA-O 3.37Å; T110-S113 PolarHBondContact N-O 2.03Å; T110-S113 CarbonylContact O-C 3.44Å; T110-S113 PolarHBondContact O-N 2.03Å; T110-S113 PolarHBondContact OG1-O 2.86Å; T110-K115 HydrophobicContact CG2-CG 4.39Å
111H77.9Confident85.2Confident126 Ų12656 Ų5658%0.58328%0.275SS*.THydrogen-bonded Turntrans-65112.2-177.5-166.165.3000112.1H69 Y84 D92H69-H111 AromaticContact CE1-NE2 3.9Å; Y84-H111 AromaticContact CE1-CE1 3.91Å; Y84-H111 AromaticContact CE1-NE2 3.77Å; D92-H111 WeakPolarHBondContact OD1-CA 3.31Å; D92-H111 IonicContact OD1-ND1 3.89Å
112G80.9Confident85.1Confident17 Ų1752.1 Ų52.118%0.17526%0.261CS..THydrogen-bonded Turntrans836.9-177.500000115Y84 D92 T110Y84-G112 VanDerWaalsContact CZ-CA 3.48Å; D92-G112 PolarHBondContact OD1-N 2.8Å; T110-G112 PolarHBondContact O-N 2.87Å
113S86.6Confident84.9Confident57 Ų5753.2 Ų53.240%0.39926%0.264SS..EExtended strand (participates in β ladder)trans-168.5-173.6-178.6-156.50000112.9E95 T110E95-S113 WeakPolarHBondContact OE1-CA 3.16Å; E95-S113 VanDerWaalsContact OE2-C 3.29Å; T110-S113 CarbonylContact C-O 3.56Å; T110-S113 VanDerWaalsContact C-O 3.26Å; T110-S113 VanDerWaalsContact CA-O 3.29Å; T110-S113 WeakPolarHBondContact CA-O 3.37Å; T110-S113 PolarHBondContact N-O 2.03Å; T110-S113 CarbonylContact O-C 3.44Å; T110-S113 PolarHBondContact O-N 2.03Å; T110-S113 PolarHBondContact OG1-O 2.86Å
114Y86.6Confident84.7Confident86 Ų8656.7 Ų56.734%0.33728%0.281SS..EExtended strand (participates in β ladder)trans-138.7167.1171.163.7-77.8000110.5E95 P102 M108E95-Y114 HydrophobicContact CB-CD1 3.41Å; E95-Y114 VanDerWaalsContact CB-CD1 3.41Å; E95-Y114 HydrophobicContact CB-CE1 3.99Å; E95-Y114 HydrophobicContact CB-CG 3.81Å; E95-Y114 VanDerWaalsContact CD-CD1 3.47Å; E95-Y114 HydrophobicContact CG-CD1 3.48Å; E95-Y114 VanDerWaalsContact CG-CD1 3.48Å; E95-Y114 HydrophobicContact CG-CE1 4.01Å; E95-Y114 HydrophobicContact CG-CG 4.31Å; E95-Y114 WeakPolarHBondContact OE2-CB 3.38Å; P102-Y114 HydrophobicContact CB-CD2 4.17Å; P102-Y114 HydrophobicContact CB-CE1 4.3Å; P102-Y114 HydrophobicContact CB-CE2 3.49Å; P102-Y114 VanDerWaalsContact CB-CE2 3.49Å; P102-Y114 HydrophobicContact CG-CD2 3.94Å; P102-Y114 HydrophobicContact CG-CE2 3.8Å; P102-Y114 HydrophobicContact CG-CG 4.44Å; M108-Y114 CarbonylContact O-C 3.26Å; M108-Y114 WeakPolarHBondContact O-CA 3.33Å
115K84.1Confident84.5Confident91 Ų9155.3 Ų55.340%0.39628%0.276SS..EExtended strand (participates in β ladder)trans-132.1140.9173.7-68-176174.9-1760110.9M108 T110 Y117M108-K115 PolarHBondContact N-O 3.06Å; M108-K115 PolarHBondContact O-N 3.01Å; T110-K115 HydrophobicContact CG2-CG 4.39Å; K115-Y117 HydrophobicContact CB-CE1 4.24Å; K115-Y117 HydrophobicContact CB-CE2 3.85Å; K115-Y117 VanDerWaalsContact CB-CZ 3.42Å; K115-Y117 WeakPolarHBondContact CB-OH 3.37Å; K115-Y117 WeakPolarHBondContact CD-OH 3.29Å
116C86.6Confident84.2Confident14 Ų1458.9 Ų58.910%0.09531%0.307CS..EExtended strand (participates in β ladder)trans-100.5144.5177-58.30000111.1C103 R106 L124C103-C116 VanDerWaalsContact CA-SG 3.5Å; C103-C116 HydrophobicContact CB-CB 3.63Å; C103-C116 WeakPolarHBondContact CB-SG 3.41Å; C103-C116 WeakPolarHBondContact SG-CA 3.04Å; C103-C116 WeakPolarHBondContact SG-CB 3.16Å; C103-C116 CovalentContact SG-SG 2.03Å; C103-C116 PolarHBondContact SG-SG 2.62Å; R106-C116 CarbonylContact O-C 3.59Å; R106-C116 WeakPolarHBondContact O-CA 3.3Å; C116-L124 HydrophobicContact CB-CD1 4Å; C116-L124 WeakPolarHBondContact O-CD2 3.47Å
117Y83.4Confident84Confident25 Ų2560.5 Ų60.510%0.09832%0.322CS..EExtended strand (participates in β ladder)trans-138149.2175.1-50-72.1000110.8H105 R106 M108 K115 P157H105-Y117 WeakPolarHBondContact CB-O 3.39Å; R106-Y117 PolarHBondContact N-O 3.28Å; R106-Y117 PolarHBondContact O-N 3.14Å; M108-Y117 HydrophobicContact CB-CD2 4.39Å; M108-Y117 HydrophobicContact CB-CE2 3.64Å; M108-Y117 HydrophobicContact CE-CE2 4.06Å; M108-Y117 WeakPolarHBondContact CE-OH 3Å; M108-Y117 HydrophobicContact SD-CE2 4.3Å; K115-Y117 HydrophobicContact CB-CE1 4.24Å; K115-Y117 HydrophobicContact CB-CE2 3.85Å; K115-Y117 VanDerWaalsContact CB-CZ 3.42Å; K115-Y117 WeakPolarHBondContact CB-OH 3.37Å; K115-Y117 WeakPolarHBondContact CD-OH 3.29Å; Y117-P157 HydrophobicContact CD1-CB 3.62Å; Y117-P157 HydrophobicContact CD2-CB 3.77Å; Y117-P157 HydrophobicContact CE1-CB 3.15Å; Y117-P157 WeakPolarHBondContact CE1-O 3.37Å; Y117-P157 HydrophobicContact CE2-CB 3.29Å; Y117-P157 HydrophobicContact CE2-CG 4.47Å; Y117-P157 HydrophobicContact CG-CB 3.9Å; Y117-P157 WeakPolarHBondContact OH-CA 3.49Å; Y117-P157 WeakPolarHBondContact OH-CB 3.34Å; Y117-P157 PolarHBondContact OH-O 3.06Å
118C85.9Confident83.6Confident0 Ų059.7 Ų59.70%032%0.319CS..PPolyproline II helixtrans-97154178.7-53.70000111.8L124 C130C118-L124 VanDerWaalsContact SG-CA 3.53Å; C118-C130 WeakPolarHBondContact CA-SG 3.46Å; C118-C130 HydrophobicContact CB-CB 3.75Å; C118-C130 WeakPolarHBondContact CB-SG 3.35Å; C118-C130 WeakPolarHBondContact SG-CA 3.46Å; C118-C130 WeakPolarHBondContact SG-CB 3.5Å; C118-C130 CovalentContact SG-SG 2.03Å; C118-C130 PolarHBondContact SG-SG 3.44Å
119L84.4Confident83.7Confident58 Ų5859.2 Ų59.230%0.30432%0.321SS..PPolyproline II helixtrans-66.4170.2170.3-62.3-179.8000110.9H105 G121 Y122H105-L119 HydrophobicContact CB-CG 4.11Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-Y122 HydrophobicContact CB-CD2 4.37Å; L119-Y122 PolarHBondContact O-N 3.12Å
120N84.9Confident83.9Confident63 Ų6357.2 Ų57.234%0.33731%0.311SS..THydrogen-bonded Turntrans-56.3136.9175.5-172.7-92.6000111.3Y122 H140 C141N120-Y122 WeakPolarHBondContact O-CD2 3.5Å; N120-H140 WeakPolarHBondContact ND2-CA 3.33Å; N120-C141 PolarHBondContact ND2-N 3.03Å; N120-C141 PolarHBondContact ND2-O 3.26Å
121G83.7Confident84.3Confident4 Ų457 Ų574%0.04131%0.313CS..THydrogen-bonded Turntrans86.810-176.800000115.5L119 S133 S137L119-G121 PolarHBondContact O-N 3.46Å; G121-S133 PolarHBondContact O-N 2.78Å; G121-S137 VanDerWaalsContact CA-OG 3.28Å; G121-S137 WeakPolarHBondContact CA-OG 3.35Å
122Y85.1Confident84.8Confident74 Ų7456.3 Ų56.329%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-131.2146.8179.4-67.2-100.1000112.1H105 L119 N120 C130 A131 N132H105-Y122 AromaticContact CE1-CD1 3.67Å; H105-Y122 AromaticContact CE1-CD2 3.91Å; H105-Y122 AromaticContact CE1-CE1 3.8Å; H105-Y122 AromaticContact CE1-CG 3.74Å; L119-Y122 HydrophobicContact CB-CD2 4.37Å; L119-Y122 PolarHBondContact O-N 3.12Å; N120-Y122 WeakPolarHBondContact O-CD2 3.5Å; Y122-C130 HydrophobicContact CD1-CB 4.08Å; Y122-C130 HydrophobicContact CG-CB 4.43Å; Y122-A131 CarbonylContact C-O 3.31Å; Y122-A131 WeakPolarHBondContact CA-O 3.03Å; Y122-N132 HydrophobicContact CD1-CB 4.38Å; Y122-N132 HydrophobicContact CE1-CB 4.19Å
123M82.9Confident85Confident63 Ų6355.9 Ų55.931%0.3131%0.307SS..EExtended strand (participates in β ladder)trans-103138.3171.7-72.4-174.5-5300110.2C130 A131 C145M123-C130 WeakPolarHBondContact O-CA 3.5Å; M123-A131 PolarHBondContact N-O 3.02Å; M123-A131 PolarHBondContact O-N 3.21Å; M123-C145 VanDerWaalsContact CG-SG 3.57Å
124L84.6Confident84.8Confident83 Ų8363.2 Ų63.244%0.43533%0.327SS..EExtended strand (participates in β ladder)trans-77.8125.9176.5-176.669.9000110.2C116 C118C116-L124 HydrophobicContact CB-CD1 4Å; C116-L124 WeakPolarHBondContact O-CD2 3.47Å; C118-L124 VanDerWaalsContact SG-CA 3.53Å
125M84.8Confident84.7Confident88 Ų8861.5 Ų61.543%0.43333%0.325SS..PPolyproline II helixtrans-89.8161.9177-60-62.4-70.600110.8D127 G128 S129 A131M125-D127 WeakPolarHBondContact CB-OD1 3.37Å; M125-D127 PolarHBondContact O-N 3.38Å; M125-D127 VanDerWaalsContact O-N 3.14Å; M125-G128 PolarHBondContact O-N 3.02Å; M125-S129 WeakPolarHBondContact CB-O 3.48Å; M125-S129 WeakPolarHBondContact CB-OG 3.43Å; M125-S129 PolarHBondContact N-O 3.4Å; M125-A131 HydrophobicContact CG-CB 4.01Å; M125-A131 HydrophobicContact SD-CB 3.8Å
126S81.3Confident84.6Confident135 Ų13557.4 Ų57.494%0.94431%0.308SS*.THydrogen-bonded Turntrans-64.8-17.6-17855.40000114.6
127D83.1Confident84.5Confident119 Ų11959 Ų5964%0.63632%0.319SS*.THydrogen-bonded Turntrans-920.8177.163.7-8.9000113.2M125 S129M125-D127 WeakPolarHBondContact CB-OD1 3.37Å; M125-D127 PolarHBondContact O-N 3.38Å; M125-D127 VanDerWaalsContact O-N 3.14Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.38Å; D127-S129 PolarHBondContact OD1-N 2.76Å; D127-S129 PolarHBondContact OD1-OG 2.78Å; D127-S129 PolarHBondContact OD2-OG 2.87Å
128G78.5Confident84.6Confident16 Ų1663.9 Ų63.917%0.16535%0.345CS..SBendtrans86.20.4-176.900000114.6M125M125-G128 PolarHBondContact O-N 3.02Å
129S87Confident84.5Confident34 Ų3464.6 Ų64.624%0.23835%0.352CS..  trans-79.3165.2172.870.90000112.2E104 M125 D127E104-S129 WeakPolarHBondContact OE2-CA 3.04Å; E104-S129 WeakPolarHBondContact OE2-CB 3.16Å; M125-S129 WeakPolarHBondContact CB-O 3.48Å; M125-S129 WeakPolarHBondContact CB-OG 3.43Å; M125-S129 PolarHBondContact N-O 3.4Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.38Å; D127-S129 PolarHBondContact OD1-N 2.76Å; D127-S129 PolarHBondContact OD1-OG 2.78Å; D127-S129 PolarHBondContact OD2-OG 2.87Å
130C88.9Confident84.6Confident11 Ų1167.5 Ų67.57%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-119.5115.1-175.5-69.90000111.6E104 H105 C118 Y122 M123E104-C130 PolarHBondContact OE2-N 2.88Å; H105-C130 VanDerWaalsContact CE1-CB 3.46Å; H105-C130 WeakPolarHBondContact CE1-CB 3.06Å; H105-C130 WeakPolarHBondContact ND1-CB 3Å; H105-C130 PolarHBondContact ND1-SG 3.43Å; C118-C130 WeakPolarHBondContact CA-SG 3.46Å; C118-C130 HydrophobicContact CB-CB 3.75Å; C118-C130 WeakPolarHBondContact CB-SG 3.35Å; C118-C130 WeakPolarHBondContact SG-CA 3.46Å; C118-C130 WeakPolarHBondContact SG-CB 3.5Å; C118-C130 CovalentContact SG-SG 2.03Å; C118-C130 PolarHBondContact SG-SG 3.44Å; Y122-C130 HydrophobicContact CD1-CB 4.08Å; Y122-C130 HydrophobicContact CG-CB 4.43Å; M123-C130 WeakPolarHBondContact O-CA 3.5Å
131A88.8Confident84.6Confident34 Ų3464.8 Ų64.828%0.28135%0.349SS..EExtended strand (participates in β ladder)trans-95.9133177.700000111.3Y122 M123 M125 S133Y122-A131 CarbonylContact C-O 3.31Å; Y122-A131 WeakPolarHBondContact CA-O 3.03Å; M123-A131 PolarHBondContact N-O 3.02Å; M123-A131 PolarHBondContact O-N 3.21Å; M125-A131 HydrophobicContact CG-CB 4.01Å; M125-A131 HydrophobicContact SD-CB 3.8Å; A131-S133 PolarHBondContact O-N 2.04Å
132N87.9Confident84.6Confident110 Ų11068 Ų6859%0.58836%0.363SS*.EExtended strand (participates in β ladder)trans-57.5134174.3-179.8-51.4000110.6Y122Y122-N132 HydrophobicContact CD1-CB 4.38Å; Y122-N132 HydrophobicContact CE1-CB 4.19Å
133S86.8Confident84.3Confident8 Ų866.1 Ų66.16%0.05636%0.356CS..  trans-138.1113.5177.9-178.30000111.5G121 A131 T135 C136 S137G121-S133 PolarHBondContact O-N 2.78Å; A131-S133 PolarHBondContact O-N 2.04Å; S133-T135 VanDerWaalsContact C-N 3.29Å; S133-T135 PolarHBondContact O-N 2.03Å; S133-T135 PolarHBondContact OG-OG1 3.03Å; S133-C136 PolarHBondContact O-N 2.96Å; S133-C136 VanDerWaalsContact O-N 3.13Å; S133-C136 PolarHBondContact OG-SG 3.05Å; S133-C136 VanDerWaalsContact OG-SG 3.38Å; S133-S137 PolarHBondContact O-N 3.21Å; S133-S137 PolarHBondContact O-OG 3.44Å; S133-S137 VanDerWaalsContact O-OG 3.1Å
134R82.3Confident84.1Confident212 Ų21263.7 Ų63.780%0.835%0.347SS*.Hα-helixtrans-62.2-35.2179.1-61.6-176-169.81803112.7C136 S137 I138R134-C136 VanDerWaalsContact C-N 3.31Å; R134-S137 PolarHBondContact O-N 3.46Å; R134-I138 WeakPolarHBondContact O-CG1 3.35Å; R134-I138 PolarHBondContact O-N 3.28Å
135T83.3Confident84.2Confident50 Ų5060.1 Ų60.131%0.30733%0.329SS..Hα-helixtrans-61.6-43.8175.728.40000110.1S133 S137 I138 A139 I152S133-T135 VanDerWaalsContact C-N 3.29Å; S133-T135 PolarHBondContact O-N 2.03Å; S133-T135 PolarHBondContact OG-OG1 3.03Å; T135-S137 VanDerWaalsContact C-N 3.35Å; T135-S137 PolarHBondContact O-N 2.71Å; T135-I138 PolarHBondContact O-N 2.97Å; T135-A139 PolarHBondContact O-N 2.65Å; T135-I152 HydrophobicContact CG2-CD1 3.97Å; T135-I152 HydrophobicContact CG2-CG1 4.43Å; T135-I152 WeakPolarHBondContact O-CD1 3.34Å
136C83.2Confident84.2Confident5 Ų559.8 Ų59.83%0.03433%0.326CS..Hα-helixtrans-73.4-25.2179.4-59.10000114.5S133 R134 I138 A139 C145S133-C136 PolarHBondContact O-N 2.96Å; S133-C136 VanDerWaalsContact O-N 3.13Å; S133-C136 PolarHBondContact OG-SG 3.05Å; S133-C136 VanDerWaalsContact OG-SG 3.38Å; R134-C136 VanDerWaalsContact C-N 3.31Å; C136-I138 PolarHBondContact O-N 2.81Å; C136-A139 PolarHBondContact O-N 3.08Å; C136-C145 HydrophobicContact CB-CB 3.78Å; C136-C145 WeakPolarHBondContact CB-SG 3.04Å; C136-C145 WeakPolarHBondContact SG-CB 3.42Å; C136-C145 CovalentContact SG-SG 1.96Å; C136-C145 PolarHBondContact SG-SG 2.69Å
137S84.6Confident84.2Confident48 Ų4859 Ų5934%0.33631%0.307SS..Hα-helixtrans-64.9-32.3173-54.10000111.2G121 S133 R134 T135G121-S137 VanDerWaalsContact CA-OG 3.28Å; G121-S137 WeakPolarHBondContact CA-OG 3.35Å; S133-S137 PolarHBondContact O-N 3.21Å; S133-S137 PolarHBondContact O-OG 3.44Å; S133-S137 VanDerWaalsContact O-OG 3.1Å; R134-S137 PolarHBondContact O-N 3.46Å; T135-S137 VanDerWaalsContact C-N 3.35Å; T135-S137 PolarHBondContact O-N 2.71Å
138I85.4Confident84.2Confident126 Ų12655.5 Ų55.565%0.64629%0.29SS*.Hα-helixtrans-79.5-30.9179.3-61.4166000111.3R134 T135 C136 H140R134-I138 WeakPolarHBondContact O-CG1 3.35Å; R134-I138 PolarHBondContact O-N 3.28Å; T135-I138 PolarHBondContact O-N 2.97Å; C136-I138 PolarHBondContact O-N 2.81Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-CD2 3.12Å; I138-H140 PolarHBondContact O-N 3.45Å
139A83.3Confident84.4Confident16 Ų1664.2 Ų64.213%0.13233%0.327CS..Hα-helixtrans-70.2-20.8-176.100000113.8T135 C136 C141 I152 R168T135-A139 PolarHBondContact O-N 2.65Å; C136-A139 PolarHBondContact O-N 3.08Å; A139-C141 PolarHBondContact O-N 3.04Å; A139-I152 HydrophobicContact CB-CB 4.49Å; A139-I152 HydrophobicContact CB-CG2 3.61Å; A139-R168 WeakPolarHBondContact O-CD 3.3Å; A139-R168 PolarHBondContact O-NE 2.81Å
140H85.4Confident84.1Confident119 Ų11965.4 Ų65.455%0.55134%0.344SS*.THydrogen-bonded Turntrans53.333.7-178.9-66.8-71.6000113.8N120 I138N120-H140 WeakPolarHBondContact ND2-CA 3.33Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-CD2 3.12Å; I138-H140 PolarHBondContact O-N 3.45Å
141C85.6Confident83.9Confident6 Ų670.8 Ų70.84%0.04137%0.369CS..  trans-64.3139.1175.1-53.30000111.9N120 A139 Y143 C154N120-C141 PolarHBondContact ND2-N 3.03Å; N120-C141 PolarHBondContact ND2-O 3.26Å; A139-C141 PolarHBondContact O-N 3.04Å; C141-Y143 WeakPolarHBondContact CB-O 3.44Å; C141-C154 WeakPolarHBondContact CA-SG 3.05Å; C141-C154 HydrophobicContact CB-CB 3.58Å; C141-C154 WeakPolarHBondContact CB-SG 3.42Å; C141-C154 WeakPolarHBondContact SG-CA 3.09Å; C141-C154 WeakPolarHBondContact SG-CB 3.38Å; C141-C154 CovalentContact SG-SG 2.03Å; C141-C154 PolarHBondContact SG-SG 3.41Å
142Q83.7Confident83.7Confident70 Ų7072.3 Ų72.333%0.32737%0.371SS..SBendtrans-67.7-39.2176.2-176-176.52.900112R106 R168 T169R106-Q142 PolarHBondContact NH2-O 3.44Å; Q142-R168 WeakPolarHBondContact CB-O 3.06Å; Q142-R168 PolarHBondContact N-O 3.25Å; Q142-T169 HydrophobicContact CB-CG2 4.41Å; Q142-T169 VanDerWaalsContact OE1-CB 3.28Å
143Y78.5Confident83.6Confident36 Ų3673.4 Ų73.414%0.14137%0.367CS..SBendtrans-122.4164173.2-58.7-80000107.8C141 L155 P157 C170C141-Y143 WeakPolarHBondContact CB-O 3.44Å; Y143-L155 VanDerWaalsContact CB-O 3.27Å; Y143-L155 WeakPolarHBondContact CB-O 3.35Å; Y143-P157 HydrophobicContact CD1-CG 3.75Å; Y143-P157 HydrophobicContact CD2-CG 4.02Å; Y143-P157 HydrophobicContact CE1-CG 3.95Å; Y143-P157 HydrophobicContact CE2-CG 4.2Å; Y143-P157 HydrophobicContact CG-CG 3.78Å; Y143-C170 HydrophobicContact CD2-CB 3.77Å; Y143-C170 VanDerWaalsContact CD2-SG 3.55Å; Y143-C170 HydrophobicContact CE2-CB 3.78Å
144G79.4Confident83.7Confident11 Ų1173.6 Ų73.611%0.11337%0.368CS..  trans-46.3171.1-169.600000116.3L155G144-L155 WeakPolarHBondContact O-CB 3.44Å; G144-L155 PolarHBondContact O-N 2.97Å
145C86.1Confident83.8Confident9 Ų966.8 Ų66.86%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-121.5160-171.9540000111.1M123 C136 I152 R153M123-C145 VanDerWaalsContact CG-SG 3.57Å; C136-C145 HydrophobicContact CB-CB 3.78Å; C136-C145 WeakPolarHBondContact CB-SG 3.04Å; C136-C145 WeakPolarHBondContact SG-CB 3.42Å; C136-C145 CovalentContact SG-SG 1.96Å; C136-C145 PolarHBondContact SG-SG 2.69Å; C145-I152 HydrophobicContact CB-CG2 4.27Å; C145-R153 CarbonylContact C-O 3.57Å; C145-R153 WeakPolarHBondContact CA-O 3.38Å
146E84.3Confident84Confident81 Ų8165.9 Ų65.938%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-130.7157161.960.2175.8-169.300111.1V148 R153 L155E146-V148 HydrophobicContact CG-CG2 3.79Å; E146-V148 WeakPolarHBondContact OE1-CG2 3.31Å; E146-R153 HydrophobicContact CG-CB 4.15Å; E146-R153 PolarHBondContact N-O 3.07Å; E146-R153 PolarHBondContact O-N 2.73Å; E146-L155 HydrophobicContact CB-CD1 3.9Å; E146-L155 HydrophobicContact CB-CG 4.32Å; E146-L155 HydrophobicContact CG-CD1 3.91Å; E146-L155 HydrophobicContact CG-CD2 3.73Å; E146-L155 HydrophobicContact CG-CG 3.85Å
147E82.9Confident83.8Confident118 Ų11866 Ų6655%0.55134%0.344SS*.EExtended strand (participates in β ladder)trans-106.2111.6172.4-168.9175.2175.400108.4E151E147-E151 WeakPolarHBondContact CA-O 3.19Å
148V82.8Confident83.6Confident45 Ų4564.4 Ų64.427%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-118.4117.6-179-178.70000107.9E146 G150 E151E146-V148 HydrophobicContact CG-CG2 3.79Å; E146-V148 WeakPolarHBondContact OE1-CG2 3.31Å; V148-G150 PolarHBondContact O-N 3.02Å; V148-G150 VanDerWaalsContact O-N 3.07Å; V148-E151 PolarHBondContact N-O 2.04Å; V148-E151 PolarHBondContact O-N 2.97Å
149E83Confident83.5Confident199 Ų19963 Ų6393%0.9334%0.34SS*.THydrogen-bonded Turntrans56.125.7177.8-59.1-176.5163.200114.6
150G79.6Confident83.6Confident59 Ų5962.6 Ų62.661%0.60834%0.337SS*.THydrogen-bonded Turntrans85.73.5-177.500000114.4V148V148-G150 PolarHBondContact O-N 3.02Å; V148-G150 VanDerWaalsContact O-N 3.07Å
151E84.8Confident83.8Confident125 Ų12557.4 Ų57.458%0.58431%0.313SS*.EExtended strand (participates in β ladder)trans-101.1141.3169.1-66.1-172.7167.700110.7E147 V148E147-E151 WeakPolarHBondContact CA-O 3.19Å; V148-E151 PolarHBondContact N-O 2.04Å; V148-E151 PolarHBondContact O-N 2.97Å
152I85.1Confident84Confident65 Ų6562.3 Ų62.333%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-89.6124.5176.3-56.5157.9000108.2T135 A139 C145T135-I152 HydrophobicContact CG2-CD1 3.97Å; T135-I152 HydrophobicContact CG2-CG1 4.43Å; T135-I152 WeakPolarHBondContact O-CD1 3.34Å; A139-I152 HydrophobicContact CB-CB 4.49Å; A139-I152 HydrophobicContact CB-CG2 3.61Å; C145-I152 HydrophobicContact CB-CG2 4.27Å
153R86.5Confident84.4Confident133 Ų13362.3 Ų62.350%0.50234%0.337SS..EExtended strand (participates in β ladder)trans-117.8131.9176.1-70.6-174.7159.4170.1-0.7110.2C145 E146C145-R153 CarbonylContact C-O 3.57Å; C145-R153 WeakPolarHBondContact CA-O 3.38Å; E146-R153 HydrophobicContact CG-CB 4.15Å; E146-R153 PolarHBondContact N-O 3.07Å; E146-R153 PolarHBondContact O-N 2.73Å
154C88.3Confident85Confident13 Ų1361.2 Ų61.29%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-76.1140.8171.3-58.80000109.6C141 L163 E167C141-C154 WeakPolarHBondContact CA-SG 3.05Å; C141-C154 HydrophobicContact CB-CB 3.58Å; C141-C154 WeakPolarHBondContact CB-SG 3.42Å; C141-C154 WeakPolarHBondContact SG-CA 3.09Å; C141-C154 WeakPolarHBondContact SG-CB 3.38Å; C141-C154 CovalentContact SG-SG 2.03Å; C141-C154 PolarHBondContact SG-SG 3.41Å; C154-L163 HydrophobicContact CB-CD2 3.85Å; C154-E167 WeakPolarHBondContact CB-O 3.41Å; C154-E167 PolarHBondContact SG-O 2.89Å; C154-E167 VanDerWaalsContact SG-O 3.37Å
155L85.1Confident85.6Confident68 Ų6870.7 Ų70.736%0.35638%0.379SS..  trans-109.9133.5-177.8-67.5178.6000110.5Y143 G144 E146Y143-L155 VanDerWaalsContact CB-O 3.27Å; Y143-L155 WeakPolarHBondContact CB-O 3.35Å; G144-L155 WeakPolarHBondContact O-CB 3.44Å; G144-L155 PolarHBondContact O-N 2.97Å; E146-L155 HydrophobicContact CB-CD1 3.9Å; E146-L155 HydrophobicContact CB-CG 4.32Å; E146-L155 HydrophobicContact CG-CD1 3.91Å; E146-L155 HydrophobicContact CG-CD2 3.73Å; E146-L155 HydrophobicContact CG-CG 3.85Å
156C86.6Confident85.8Confident31 Ų3173.8 Ų73.821%0.20940%0.395CS..  trans-87.2142170.3-66.90000111.9S158 L161 Q162 C170C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.26Å; C156-L161 HydrophobicContact CB-CB 3.73Å; C156-Q162 VanDerWaalsContact SG-C 3.55Å; C156-C170 WeakPolarHBondContact CA-SG 3.49Å; C156-C170 HydrophobicContact CB-CB 3.92Å; C156-C170 WeakPolarHBondContact CB-SG 3.35Å; C156-C170 WeakPolarHBondContact SG-CB 3.46Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.34Å
157P79.5Confident86.1Confident9 Ų977 Ų776%0.05841%0.409CS..SBendtrans-66-35.8-16712.3-20.3000113.4M108 Y117 Y143 L161M108-P157 HydrophobicContact CE-CB 4.15Å; M108-P157 HydrophobicContact SD-CB 4.33Å; Y117-P157 HydrophobicContact CD1-CB 3.62Å; Y117-P157 HydrophobicContact CD2-CB 3.77Å; Y117-P157 HydrophobicContact CE1-CB 3.15Å; Y117-P157 WeakPolarHBondContact CE1-O 3.37Å; Y117-P157 HydrophobicContact CE2-CB 3.29Å; Y117-P157 HydrophobicContact CE2-CG 4.47Å; Y117-P157 HydrophobicContact CG-CB 3.9Å; Y117-P157 WeakPolarHBondContact OH-CA 3.49Å; Y117-P157 WeakPolarHBondContact OH-CB 3.34Å; Y117-P157 PolarHBondContact OH-O 3.06Å; Y143-P157 HydrophobicContact CD1-CG 3.75Å; Y143-P157 HydrophobicContact CD2-CG 4.02Å; Y143-P157 HydrophobicContact CE1-CG 3.95Å; Y143-P157 HydrophobicContact CE2-CG 4.2Å; Y143-P157 HydrophobicContact CG-CG 3.78Å; P157-L161 HydrophobicContact CB-CD1 4.43Å; P157-L161 HydrophobicContact CG-CD1 3.4Å; P157-L161 VanDerWaalsContact CG-CD1 3.4Å
158S80.4Confident86.3Confident13 Ų1377 Ų779%0.09140%0.404CS..SBendtrans-124.6162.9177.463.20000111.9C156 G160 L161 G194C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.26Å; S158-G160 PolarHBondContact O-N 2.82Å; S158-L161 PolarHBondContact O-N 3.43Å; S158-L161 VanDerWaalsContact O-N 3.13Å; S158-L161 WeakPolarHBondContact OG-CG 3.46Å; S158-G194 WeakPolarHBondContact CB-O 3.06Å; S158-G194 VanDerWaalsContact OG-C 3.31Å; S158-G194 WeakPolarHBondContact OG-CA 3.26Å; S158-G194 PolarHBondContact OG-O 2.69Å
159A82.1Confident86.7Confident97 Ų9777.5 Ų77.580%0.80241%0.407SS*.THydrogen-bonded Turntrans-69.4-15.1173.300000112.9
160G86.1Confident87Confident7 Ų768.4 Ų68.47%0.07237%0.366CS..BIsolated β-bridgetrans-82.46.4170.600000113.2S158 I173 E175S158-G160 PolarHBondContact O-N 2.82Å; G160-I173 VanDerWaalsContact O-CB 3.3Å; G160-I173 WeakPolarHBondContact O-CB 3.21Å; G160-I173 PolarHBondContact O-N 3.2Å; G160-E175 WeakPolarHBondContact CA-OE1 3.47Å
161L88.8Confident87.6Confident10 Ų1068.9 Ų68.95%0.05236%0.357CS..EExtended strand (participates in β ladder)trans-121.7143174.3-62.2174000109.5C156 P157 S158 C170 V171 D172 F193 G194C156-L161 HydrophobicContact CB-CB 3.73Å; P157-L161 HydrophobicContact CB-CD1 4.43Å; P157-L161 HydrophobicContact CG-CD1 3.4Å; P157-L161 VanDerWaalsContact CG-CD1 3.4Å; S158-L161 PolarHBondContact O-N 3.43Å; S158-L161 VanDerWaalsContact O-N 3.13Å; S158-L161 WeakPolarHBondContact OG-CG 3.46Å; L161-C170 HydrophobicContact CB-CB 4.26Å; L161-C170 HydrophobicContact CD1-CB 4.32Å; L161-V171 WeakPolarHBondContact CA-O 3.32Å; L161-D172 HydrophobicContact CD2-CB 4.17Å; L161-F193 HydrophobicContact CD1-CE1 3.86Å; L161-F193 HydrophobicContact CD1-CZ 4.26Å; L161-F193 HydrophobicContact CD2-CD1 4.16Å; L161-F193 HydrophobicContact CD2-CD2 4.26Å; L161-F193 HydrophobicContact CD2-CE1 3.8Å; L161-F193 HydrophobicContact CD2-CE2 3.91Å; L161-F193 HydrophobicContact CD2-CG 4.39Å; L161-F193 HydrophobicContact CD2-CZ 3.66Å; L161-F193 HydrophobicContact CG-CE1 4.49Å; L161-G194 VanDerWaalsContact CD2-CA 3.47Å
162Q91.4Very high88Confident110 Ų11065 Ų6551%0.51434%0.34SS..EExtended strand (participates in β ladder)trans-123.3156.1174.262.4179.72800111C156 G164 C170 V171 I173C156-Q162 VanDerWaalsContact SG-C 3.55Å; Q162-G164 PolarHBondContact O-N 3.27Å; Q162-C170 CarbonylContact O-C 3.53Å; Q162-C170 WeakPolarHBondContact O-CA 3.44Å; Q162-V171 PolarHBondContact N-O 3.23Å; Q162-V171 PolarHBondContact O-N 2.87Å; Q162-I173 HydrophobicContact CB-CD1 3.98Å; Q162-I173 HydrophobicContact CB-CG1 3.97Å; Q162-I173 HydrophobicContact CG-CD1 4.36Å; Q162-I173 HydrophobicContact CG-CG1 3.81Å
163L92.1Very high88.2Confident69 Ų6963.8 Ų63.836%0.36133%0.334SS..EExtended strand (participates in β ladder)trans-63.7135.4172.4-73.3168.7000110.4C154 T169C154-L163 HydrophobicContact CB-CD2 3.85Å; L163-T169 CarbonylContact C-O 3.54Å; L163-T169 WeakPolarHBondContact CA-O 3.46Å
164G91Very high88.4Confident14 Ų1460 Ų6014%0.14432%0.324CS..  trans-68.3-179.9171.700000111.9Q162 D166 E167 T169Q162-G164 PolarHBondContact O-N 3.27Å; G164-D166 PolarHBondContact O-N 3.02Å; G164-D166 VanDerWaalsContact O-N 3.11Å; G164-E167 PolarHBondContact O-N 2.93Å; G164-T169 PolarHBondContact N-O 3.38Å
165Q91.8Very high88.5Confident210 Ų21060.6 Ų60.698%0.98133%0.325SS*.THydrogen-bonded Turntrans-62.6-18.5178.7-66.3-179.4-4.800113.6
166D90.5Very high88.7Confident74 Ų7459.3 Ų59.340%0.39632%0.321SS..THydrogen-bonded Turntrans-88.4-3.217964.9-7.6000113.5G164 R168 T169G164-D166 PolarHBondContact O-N 3.02Å; G164-D166 VanDerWaalsContact O-N 3.11Å; D166-R168 WeakPolarHBondContact O-CG 3.29Å; D166-R168 PolarHBondContact O-N 3.31Å; D166-R168 VanDerWaalsContact O-N 3.08Å; D166-R168 PolarHBondContact OD1-N 2.68Å; D166-R168 VanDerWaalsContact OD1-N 3.1Å; D166-T169 PolarHBondContact OD1-N 3.45Å; D166-T169 PolarHBondContact OD1-OG1 3.01Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-N 3.35Å; D166-T169 PolarHBondContact OD2-OG1 2.82Å
167E89.3Confident88.8Confident148 Ų14862.9 Ų62.969%0.69234%0.343SS*.SBendtrans55.620.5-175.8-59.5-179.417500114.1C154 G164C154-E167 WeakPolarHBondContact CB-O 3.41Å; C154-E167 PolarHBondContact SG-O 2.89Å; C154-E167 VanDerWaalsContact SG-O 3.37Å; G164-E167 PolarHBondContact O-N 2.93Å
168R88.4Confident89Confident118 Ų11867.6 Ų67.645%0.44537%0.371SS..SBendtrans-130.9-34-175.3-68.5173.5-170.5-167.8-1.7113.5A139 Q142 D166A139-R168 WeakPolarHBondContact O-CD 3.3Å; A139-R168 PolarHBondContact O-NE 2.81Å; Q142-R168 WeakPolarHBondContact CB-O 3.06Å; Q142-R168 PolarHBondContact N-O 3.25Å; D166-R168 WeakPolarHBondContact O-CG 3.29Å; D166-R168 PolarHBondContact O-N 3.31Å; D166-R168 VanDerWaalsContact O-N 3.08Å; D166-R168 PolarHBondContact OD1-N 2.68Å; D166-R168 VanDerWaalsContact OD1-N 3.1Å
169T89.6Confident88.7Confident55 Ų5568.4 Ų68.434%0.33738%0.382SS..SBendtrans-96.3151.8177.856.50000110.8Q142 L163 G164 D166Q142-T169 HydrophobicContact CB-CG2 4.41Å; Q142-T169 VanDerWaalsContact OE1-CB 3.28Å; L163-T169 CarbonylContact C-O 3.54Å; L163-T169 WeakPolarHBondContact CA-O 3.46Å; G164-T169 PolarHBondContact N-O 3.38Å; D166-T169 PolarHBondContact OD1-N 3.45Å; D166-T169 PolarHBondContact OD1-OG1 3.01Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-N 3.35Å; D166-T169 PolarHBondContact OD2-OG1 2.82Å
170C90.4Very high87.6Confident9 Ų973.4 Ų73.46%0.06139%0.385CS..EExtended strand (participates in β ladder)trans-104126.3176.5-660000109.9Y143 C156 L161 Q162Y143-C170 HydrophobicContact CD2-CB 3.77Å; Y143-C170 VanDerWaalsContact CD2-SG 3.55Å; Y143-C170 HydrophobicContact CE2-CB 3.78Å; C156-C170 WeakPolarHBondContact CA-SG 3.49Å; C156-C170 HydrophobicContact CB-CB 3.92Å; C156-C170 WeakPolarHBondContact CB-SG 3.35Å; C156-C170 WeakPolarHBondContact SG-CB 3.46Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.34Å; L161-C170 HydrophobicContact CB-CB 4.26Å; L161-C170 HydrophobicContact CD1-CB 4.32Å; Q162-C170 CarbonylContact O-C 3.53Å; Q162-C170 WeakPolarHBondContact O-CA 3.44Å
171V92Very high86.6Confident69 Ų6980.6 Ų80.642%0.41842%0.422SS..EExtended strand (participates in β ladder)trans-108.4138.6178.8-175.80000108.3L161 Q162L161-V171 WeakPolarHBondContact CA-O 3.32Å; Q162-V171 PolarHBondContact N-O 3.23Å; Q162-V171 PolarHBondContact O-N 2.87Å
172D92.1Very high86.2Confident42 Ų4283 Ų8323%0.22543%0.434CS..EExtended strand (participates in β ladder)trans-63.9132.2177.7-167.751.7000112.2L161 N191 F193 G194L161-D172 HydrophobicContact CD2-CB 4.17Å; D172-N191 PolarHBondContact OD2-ND2 3.17Å; D172-F193 HydrophobicContact CB-CD2 3.85Å; D172-F193 HydrophobicContact CB-CE2 4.03Å; D172-F193 WeakPolarHBondContact OD1-CA 3.31Å; D172-G194 PolarHBondContact OD1-N 2.79Å
173I91.1Very high85.9Confident40 Ų4078.9 Ų78.921%0.20542%0.418CS..  trans-90.6108.6169-56.7171.4000105.9G160 Q162 E175G160-I173 VanDerWaalsContact O-CB 3.3Å; G160-I173 WeakPolarHBondContact O-CB 3.21Å; G160-I173 PolarHBondContact O-N 3.2Å; Q162-I173 HydrophobicContact CB-CD1 3.98Å; Q162-I173 HydrophobicContact CB-CG1 3.97Å; Q162-I173 HydrophobicContact CG-CD1 4.36Å; Q162-I173 HydrophobicContact CG-CG1 3.81Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.47Å; I173-E175 VanDerWaalsContact O-OE2 3.05Å
174D90.5Very high85.4Confident54 Ų5478.9 Ų78.929%0.28942%0.422SS..  trans-71.695172.6-174.4-33.2000109.2C176 T177 T178D174-C176 PolarHBondContact O-N 3.5Å; D174-C176 WeakPolarHBondContact OD1-CA 3.49Å; D174-C176 WeakPolarHBondContact OD1-CB 3.45Å; D174-C176 PolarHBondContact OD1-N 3.26Å; D174-T177 HydrophobicContact CB-CG2 4.39Å; D174-T177 WeakPolarHBondContact CB-OG1 3.2Å; D174-T177 PolarHBondContact O-N 2.9Å; D174-T177 PolarHBondContact O-OG1 2.84Å; D174-T177 PolarHBondContact OD1-N 3.37Å; D174-T177 PolarHBondContact OD1-OG1 3.13Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.49Å; D174-T178 WeakPolarHBondContact O-CB 3.36Å; D174-T178 PolarHBondContact O-N 2.91Å; D174-T178 PolarHBondContact O-OG1 3.33Å
175E89.2Confident85Confident25 Ų2586.3 Ų86.312%0.11745%0.453CS..Hα-helixtrans-67.6-30.7-177.8-53.196151.300110.6G160 I173 T177 T178 G179 L182 N191 S195 Y196G160-E175 WeakPolarHBondContact CA-OE1 3.47Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.47Å; I173-E175 VanDerWaalsContact O-OE2 3.05Å; E175-T177 PolarHBondContact O-N 2.82Å; E175-T178 PolarHBondContact O-N 3.29Å; E175-G179 PolarHBondContact O-N 2.88Å; E175-L182 HydrophobicContact CB-CD1 3.6Å; E175-L182 WeakPolarHBondContact O-CD1 3.08Å; E175-N191 PolarHBondContact OE2-OD1 3.17Å; E175-N191 VanDerWaalsContact OE2-OD1 3.13Å; E175-S195 WeakPolarHBondContact OE1-CA 3.4Å; E175-Y196 HydrophobicContact CB-CD1 3.69Å; E175-Y196 HydrophobicContact CB-CE1 4.24Å; E175-Y196 HydrophobicContact CB-CG 4.17Å; E175-Y196 HydrophobicContact CG-CD1 3.78Å; E175-Y196 HydrophobicContact CG-CE1 4.33Å
176C89.5Confident84.7Confident41 Ų4179 Ų7928%0.27742%0.42SS..Hα-helixtrans-64-27.5178.2-59.30000113.3D174 C189 V190 N191D174-C176 PolarHBondContact O-N 3.5Å; D174-C176 WeakPolarHBondContact OD1-CA 3.49Å; D174-C176 WeakPolarHBondContact OD1-CB 3.45Å; D174-C176 PolarHBondContact OD1-N 3.26Å; C176-C189 WeakPolarHBondContact CA-SG 3.49Å; C176-C189 HydrophobicContact CB-CB 3.75Å; C176-C189 WeakPolarHBondContact CB-SG 3.43Å; C176-C189 WeakPolarHBondContact SG-CB 3.19Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.83Å; C176-V190 PolarHBondContact SG-N 3.28Å; C176-N191 HydrophobicContact CB-CB 4.5Å; C176-N191 PolarHBondContact SG-N 2.92Å
177T89.8Confident84.7Confident107 Ų10777.4 Ų77.466%0.65641%0.409SS*.Hα-helixtrans-90.7-32.2173.363.40000112.8D174 E175D174-T177 HydrophobicContact CB-CG2 4.39Å; D174-T177 WeakPolarHBondContact CB-OG1 3.2Å; D174-T177 PolarHBondContact O-N 2.9Å; D174-T177 PolarHBondContact O-OG1 2.84Å; D174-T177 PolarHBondContact OD1-N 3.37Å; D174-T177 PolarHBondContact OD1-OG1 3.13Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.49Å; E175-T177 PolarHBondContact O-N 2.82Å
178T83.4Confident84.7Confident108 Ų10874.7 Ų74.766%0.66340%0.396SS*.Hα-helixtrans-84.1-32.5-173-52.90000112.7D174 E175D174-T178 WeakPolarHBondContact O-CB 3.36Å; D174-T178 PolarHBondContact O-N 2.91Å; D174-T178 PolarHBondContact O-OG1 3.33Å; E175-T178 PolarHBondContact O-N 3.29Å
179G74.5Confident84.7Confident30 Ų3070.7 Ų70.731%0.30939%0.386SS..  trans-106.6125.4-173.300000114.6E175E175-G179 PolarHBondContact O-N 2.88Å
180K57.3Low84.6Confident202 Ų20269.7 Ų69.788%0.87838%0.379SS*.THydrogen-bonded Turntrans-85.4125.1162.8-72.9-178.3179.8177.50109.3
181N65.4Low84.5Confident158 Ų15871.5 Ų71.585%0.84539%0.389SS*.THydrogen-bonded Turntrans78.933.9176.4-47.3-40.9000117.5
182L81.5Confident84Confident59 Ų5970.6 Ų70.631%0.30938%0.383SS..  trans-67.5-39.9173.3-68167.2000112.9E175 Y196E175-L182 HydrophobicContact CB-CD1 3.6Å; E175-L182 WeakPolarHBondContact O-CD1 3.08Å; L182-Y196 HydrophobicContact CB-CD2 4.44Å; L182-Y196 HydrophobicContact CB-CE2 3.75Å; L182-Y196 HydrophobicContact CD1-CE2 4.39Å; L182-Y196 HydrophobicContact CD2-CE1 4.21Å; L182-Y196 HydrophobicContact CD2-CE2 4.43Å; L182-Y196 HydrophobicContact CG-CE2 4.42Å
183C84.1Confident83.5Confident25 Ų2572.8 Ų72.817%0.16939%0.391CS..SBendtrans-98.4142.1-177.8-64.50000112.1R187 C189 C198C183-R187 HydrophobicContact CB-CB 3.97Å; C183-C189 VanDerWaalsContact SG-CA 3.55Å; C183-C198 WeakPolarHBondContact CA-SG 3.27Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 3.45Å; C183-C198 WeakPolarHBondContact SG-CB 3.12Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.87Å
184P83Confident83.1Confident68 Ų6871.2 Ų71.244%0.44238%0.384SS..PPolyproline II helixtrans-56.9167.7169.1-22.130000113.2R187P184-R187 WeakPolarHBondContact O-CB 3.32Å; P184-R187 PolarHBondContact O-N 3.44Å
185H82.2Confident82.8Confident171 Ų17171.5 Ų71.579%0.79239%0.391SS*.THydrogen-bonded Turntrans-53.4149.8176.2-76.1-78.3000112.9R187H185-R187 PolarHBondContact O-N 3.24Å
186N86.1Confident82.6Confident56 Ų5674.1 Ų74.130%0.29940%0.4SS..THydrogen-bonded Turntrans59.321.9-178.2-52.4-22.2000114.9Q201 Y204 C215N186-Q201 PolarHBondContact O-N 3.13Å; N186-Y204 HydrophobicContact CB-CD1 3.82Å; N186-Y204 HydrophobicContact CB-CD2 4.36Å; N186-Y204 HydrophobicContact CB-CE1 3.86Å; N186-Y204 HydrophobicContact CB-CE2 4.36Å; N186-Y204 HydrophobicContact CB-CG 4.11Å; N186-Y204 VanDerWaalsContact ND2-CE1 3.33Å; N186-Y204 WeakPolarHBondContact ND2-CE1 3.44Å; N186-C215 HydrophobicContact CB-CB 4.04Å
187R89.1Confident82.2Confident41 Ų4178 Ų7816%0.15541%0.41CS..EExtended strand (participates in β ladder)trans-118.3152174.8-66.1168.8-172.3-94.1-4.5111.6C183 P184 H185 C198 K199 Q201 L206 Y213 D214 C215C183-R187 HydrophobicContact CB-CB 3.97Å; P184-R187 WeakPolarHBondContact O-CB 3.32Å; P184-R187 PolarHBondContact O-N 3.44Å; H185-R187 PolarHBondContact O-N 3.24Å; R187-C198 HydrophobicContact CB-CB 4.17Å; R187-K199 CarbonylContact C-O 3.47Å; R187-K199 WeakPolarHBondContact CA-O 3.01Å; R187-K199 VanDerWaalsContact CB-O 3.3Å; R187-K199 WeakPolarHBondContact CB-O 3.07Å; R187-Q201 PolarHBondContact O-NE2 3.48Å; R187-L206 VanDerWaalsContact NH2-CD1 3.27Å; R187-Y213 PolarHBondContact NH2-O 3.29Å; R187-D214 IonicContact NH2-OD1 3.81Å; R187-C215 HydrophobicContact CG-CB 4.43Å; R187-C215 WeakPolarHBondContact CG-SG 3.4Å; R187-C215 VanDerWaalsContact CZ-SG 3.51Å
188Q89.1Confident81.9Confident90 Ų9074.5 Ų74.542%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-111.2132.2173.8-173.4-1801600108.7C198 K199 Q201Q188-C198 WeakPolarHBondContact O-CA 3.23Å; Q188-K199 HydrophobicContact CB-CG 4.24Å; Q188-K199 PolarHBondContact N-O 3.18Å; Q188-K199 PolarHBondContact O-N 3.26Å; Q188-Q201 HydrophobicContact CB-CG 4.16Å
189C89.9Confident81.9Confident35 Ų3573.6 Ų73.624%0.23638%0.376CS..EExtended strand (participates in β ladder)trans-71.9134.4172.1-170.80000110C176 C183C176-C189 WeakPolarHBondContact CA-SG 3.49Å; C176-C189 HydrophobicContact CB-CB 3.75Å; C176-C189 WeakPolarHBondContact CB-SG 3.43Å; C176-C189 WeakPolarHBondContact SG-CB 3.19Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.83Å; C183-C189 VanDerWaalsContact SG-CA 3.55Å
190V87.3Confident82.5Confident33 Ų3373.4 Ų73.420%0.237%0.369CS..EExtended strand (participates in β ladder)trans-123.1116.9171.4-177.70000107.5C176 Y196 Y197 K199C176-V190 PolarHBondContact SG-N 3.28Å; V190-Y196 WeakPolarHBondContact O-CA 3.04Å; V190-Y197 HydrophobicContact CB-CD1 4.22Å; V190-Y197 HydrophobicContact CB-CE1 3.8Å; V190-Y197 HydrophobicContact CB-CE2 4.14Å; V190-Y197 HydrophobicContact CG1-CD1 4.44Å; V190-Y197 HydrophobicContact CG1-CE1 3.64Å; V190-Y197 HydrophobicContact CG2-CE2 4.26Å; V190-Y197 PolarHBondContact N-O 2.83Å; V190-Y197 PolarHBondContact O-N 3.24Å; V190-K199 HydrophobicContact CG2-CD 3.66Å; V190-K199 HydrophobicContact CG2-CG 3.77Å
191N87.6Confident84.2Confident48 Ų4867.7 Ų67.726%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-71.8142.3177.4-173.135.2000109.7D172 E175 C176 S195D172-N191 PolarHBondContact OD2-ND2 3.17Å; E175-N191 PolarHBondContact OE2-OD1 3.17Å; E175-N191 VanDerWaalsContact OE2-OD1 3.13Å; C176-N191 HydrophobicContact CB-CB 4.5Å; C176-N191 PolarHBondContact SG-N 2.92Å; N191-S195 PolarHBondContact OD1-O 3.49Å
192T82Confident85.3Confident49 Ų4966.8 Ų66.830%0.30134%0.341SS..EExtended strand (participates in β ladder)trans-136.7157.1175.350.20000108.9G194 S195 Y197T192-G194 PolarHBondContact O-N 2.79Å; T192-S195 CarbonylContact C-O 3.56Å; T192-S195 VanDerWaalsContact C-O 3.26Å; T192-S195 WeakPolarHBondContact CA-O 3.42Å; T192-S195 WeakPolarHBondContact CB-O 3.49Å; T192-S195 PolarHBondContact N-O 3.48Å; T192-S195 CarbonylContact O-C 3.59Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 VanDerWaalsContact O-N 3.13Å; T192-S195 PolarHBondContact OG1-O 3.39Å; T192-Y197 HydrophobicContact CG2-CD1 3.63Å; T192-Y197 HydrophobicContact CG2-CE1 3.56Å
193F82.1Confident85.6Confident89 Ų8964.7 Ų64.739%0.3933%0.334SS..THydrogen-bonded Turntrans-63.7115-179.1-171.1-96.9000111L161 D172L161-F193 HydrophobicContact CD1-CE1 3.86Å; L161-F193 HydrophobicContact CD1-CZ 4.26Å; L161-F193 HydrophobicContact CD2-CD1 4.16Å; L161-F193 HydrophobicContact CD2-CD2 4.26Å; L161-F193 HydrophobicContact CD2-CE1 3.8Å; L161-F193 HydrophobicContact CD2-CE2 3.91Å; L161-F193 HydrophobicContact CD2-CG 4.39Å; L161-F193 HydrophobicContact CD2-CZ 3.66Å; L161-F193 HydrophobicContact CG-CE1 4.49Å; D172-F193 HydrophobicContact CB-CD2 3.85Å; D172-F193 HydrophobicContact CB-CE2 4.03Å; D172-F193 WeakPolarHBondContact OD1-CA 3.31Å
194G81.6Confident85.9Confident6 Ų665 Ų656%0.06233%0.331CS..BIsolated β-bridgetrans76.112.5-179.400000116.1S158 L161 D172 T192S158-G194 WeakPolarHBondContact CB-O 3.06Å; S158-G194 VanDerWaalsContact OG-C 3.31Å; S158-G194 WeakPolarHBondContact OG-CA 3.26Å; S158-G194 PolarHBondContact OG-O 2.69Å; L161-G194 VanDerWaalsContact CD2-CA 3.47Å; D172-G194 PolarHBondContact OD1-N 2.79Å; T192-G194 PolarHBondContact O-N 2.79Å
195S84.3Confident85.9Confident61 Ų6165.2 Ų65.243%0.42733%0.329SS..EExtended strand (participates in β ladder)trans-167-179.1176.6-170.20000110.9E175 N191 T192E175-S195 WeakPolarHBondContact OE1-CA 3.4Å; N191-S195 PolarHBondContact OD1-O 3.49Å; T192-S195 CarbonylContact C-O 3.56Å; T192-S195 VanDerWaalsContact C-O 3.26Å; T192-S195 WeakPolarHBondContact CA-O 3.42Å; T192-S195 WeakPolarHBondContact CB-O 3.49Å; T192-S195 PolarHBondContact N-O 3.48Å; T192-S195 CarbonylContact O-C 3.59Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 VanDerWaalsContact O-N 3.13Å; T192-S195 PolarHBondContact OG1-O 3.39Å
196Y85.3Confident85.9Confident80 Ų8060.5 Ų60.531%0.31431%0.309SS..EExtended strand (participates in β ladder)trans-137.1165.916567.2-77.6000110.6E175 L182 V190E175-Y196 HydrophobicContact CB-CD1 3.69Å; E175-Y196 HydrophobicContact CB-CE1 4.24Å; E175-Y196 HydrophobicContact CB-CG 4.17Å; E175-Y196 HydrophobicContact CG-CD1 3.78Å; E175-Y196 HydrophobicContact CG-CE1 4.33Å; L182-Y196 HydrophobicContact CB-CD2 4.44Å; L182-Y196 HydrophobicContact CB-CE2 3.75Å; L182-Y196 HydrophobicContact CD1-CE2 4.39Å; L182-Y196 HydrophobicContact CD2-CE1 4.21Å; L182-Y196 HydrophobicContact CD2-CE2 4.43Å; L182-Y196 HydrophobicContact CG-CE2 4.42Å; V190-Y196 WeakPolarHBondContact O-CA 3.04Å
197Y80.3Confident85.6Confident123 Ų12361.5 Ų61.548%0.48231%0.311SS..EExtended strand (participates in β ladder)trans-139.3160166.471.7-85.2000111.8V190 T192 K199V190-Y197 HydrophobicContact CB-CD1 4.22Å; V190-Y197 HydrophobicContact CB-CE1 3.8Å; V190-Y197 HydrophobicContact CB-CE2 4.14Å; V190-Y197 HydrophobicContact CG1-CD1 4.44Å; V190-Y197 HydrophobicContact CG1-CE1 3.64Å; V190-Y197 HydrophobicContact CG2-CE2 4.26Å; V190-Y197 PolarHBondContact N-O 2.83Å; V190-Y197 PolarHBondContact O-N 3.24Å; T192-Y197 HydrophobicContact CG2-CD1 3.63Å; T192-Y197 HydrophobicContact CG2-CE1 3.56Å; Y197-K199 HydrophobicContact CE2-CB 4.22Å
198C84.9Confident85Confident32 Ų3264 Ų6422%0.21632%0.321CS..EExtended strand (participates in β ladder)trans-110.3107.8-176.5-59.70000110.6C183 R187 Q188C183-C198 WeakPolarHBondContact CA-SG 3.27Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 3.45Å; C183-C198 WeakPolarHBondContact SG-CB 3.12Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.87Å; R187-C198 HydrophobicContact CB-CB 4.17Å; Q188-C198 WeakPolarHBondContact O-CA 3.23Å
199K82.9Confident84.5Confident90 Ų9062.7 Ų62.739%0.39132%0.319SS..EExtended strand (participates in β ladder)trans-89.7158.7171.767.8177.1179.5179.20111.3R187 Q188 V190 Y197R187-K199 CarbonylContact C-O 3.47Å; R187-K199 WeakPolarHBondContact CA-O 3.01Å; R187-K199 VanDerWaalsContact CB-O 3.3Å; R187-K199 WeakPolarHBondContact CB-O 3.07Å; Q188-K199 HydrophobicContact CB-CG 4.24Å; Q188-K199 PolarHBondContact N-O 3.18Å; Q188-K199 PolarHBondContact O-N 3.26Å; V190-K199 HydrophobicContact CG2-CD 3.66Å; V190-K199 HydrophobicContact CG2-CG 3.77Å; Y197-K199 HydrophobicContact CE2-CB 4.22Å
200C87.6Confident83.9Confident25 Ų2568.9 Ų68.917%0.16935%0.35CS..EExtended strand (participates in β ladder)trans-63.4145.1170.7-64.10000110.4C215C200-C215 WeakPolarHBondContact CA-SG 3.02Å; C200-C215 HydrophobicContact CB-CB 3.81Å; C200-C215 WeakPolarHBondContact CB-SG 3.17Å; C200-C215 WeakPolarHBondContact SG-CB 3.46Å; C200-C215 CovalentContact SG-SG 2.04Å; C200-C215 PolarHBondContact SG-SG 3.36Å
201Q91.2Very high83Confident82 Ų8269.8 Ų69.838%0.38337%0.366SS..PPolyproline II helixtrans-65.3158.6171.3-71.2177.47.200110.2N186 R187 Q188 G203 Y204N186-Q201 PolarHBondContact O-N 3.13Å; R187-Q201 PolarHBondContact O-NE2 3.48Å; Q188-Q201 HydrophobicContact CB-CG 4.16Å; Q201-G203 PolarHBondContact O-N 2.86Å; Q201-Y204 HydrophobicContact CB-CD2 4.01Å; Q201-Y204 WeakPolarHBondContact O-CB 3.11Å; Q201-Y204 PolarHBondContact O-N 3.33Å
202N89.1Confident82.4Confident140 Ų14073.8 Ų73.875%0.74938%0.381SS*.THydrogen-bonded Turntrans-57.3138.8173.9-64.1-16.4000110.1Y204N202-Y204 VanDerWaalsContact C-N 3.29Å
203G89.1Confident82.2Confident15 Ų1572.3 Ų72.316%0.15537%0.37CS..THydrogen-bonded Turntrans81.84.9-173.600000114.3Q201 L218Q201-G203 PolarHBondContact O-N 2.86Å; G203-L218 WeakPolarHBondContact O-CB 3.45Å; G203-L218 PolarHBondContact O-N 2.87Å
204Y89.7Confident82.3Confident30 Ų3071.5 Ų71.512%0.11837%0.37CS..EExtended strand (participates in β ladder)trans-124.1145171.5-65.2-96.2000110.8N186 Q201 N202 V216 D217 G239N186-Y204 HydrophobicContact CB-CD1 3.82Å; N186-Y204 HydrophobicContact CB-CD2 4.36Å; N186-Y204 HydrophobicContact CB-CE1 3.86Å; N186-Y204 HydrophobicContact CB-CE2 4.36Å; N186-Y204 HydrophobicContact CB-CG 4.11Å; N186-Y204 VanDerWaalsContact ND2-CE1 3.33Å; N186-Y204 WeakPolarHBondContact ND2-CE1 3.44Å; Q201-Y204 HydrophobicContact CB-CD2 4.01Å; Q201-Y204 WeakPolarHBondContact O-CB 3.11Å; Q201-Y204 PolarHBondContact O-N 3.33Å; N202-Y204 VanDerWaalsContact C-N 3.29Å; Y204-V216 CarbonylContact C-O 3.59Å; Y204-V216 VanDerWaalsContact CA-O 3.3Å; Y204-V216 WeakPolarHBondContact CA-O 3.01Å; Y204-D217 HydrophobicContact CD1-CB 4.45Å; Y204-D217 HydrophobicContact CE1-CB 4.21Å; Y204-G239 PolarHBondContact OH-N 2.97Å
205D83.4Confident82.6Confident74 Ų7471.4 Ų71.440%0.39637%0.368SS..EExtended strand (participates in β ladder)trans-121.6148.1175.8-173.730.1000111.4K207 C215 V216 L218D205-K207 PolarHBondContact O-N 2.78Å; D205-K207 VanDerWaalsContact O-N 3.13Å; D205-C215 WeakPolarHBondContact O-CA 3.3Å; D205-V216 PolarHBondContact N-O 2.76Å; D205-V216 PolarHBondContact O-N 3.42Å; D205-L218 HydrophobicContact CB-CD1 3.94Å; D205-L218 HydrophobicContact CB-CD2 3.7Å; D205-L218 HydrophobicContact CB-CG 3.64Å
206L81.4Confident82.9Confident71 Ų7170.9 Ų70.937%0.37236%0.362SS..EExtended strand (participates in β ladder)trans-81.995.1-176-170.276.2000109.8R187 Y213 D214R187-L206 VanDerWaalsContact NH2-CD1 3.27Å; L206-Y213 HydrophobicContact CD2-CD1 3.88Å; L206-Y213 HydrophobicContact CG-CD1 3.95Å; L206-D214 CarbonylContact C-O 3.26Å; L206-D214 WeakPolarHBondContact CA-O 3.43Å
207K79.7Confident83.3Confident77 Ų7768.5 Ų68.534%0.33536%0.355SS..EExtended strand (participates in β ladder)trans-108.3150.4-178.4-62.5-173.8179.8175.80111.8D205 V209 Y213 D214 V216D205-K207 PolarHBondContact O-N 2.78Å; D205-K207 VanDerWaalsContact O-N 3.13Å; K207-V209 HydrophobicContact CB-CG2 4.13Å; K207-V209 PolarHBondContact O-N 3.2Å; K207-Y213 WeakPolarHBondContact O-CA 3.44Å; K207-D214 PolarHBondContact N-O 3Å; K207-D214 PolarHBondContact O-N 3.43Å; K207-V216 HydrophobicContact CB-CB 4.26Å; K207-V216 HydrophobicContact CB-CG2 3.93Å; K207-V216 HydrophobicContact CD-CB 4.25Å; K207-V216 HydrophobicContact CG-CB 4.42Å
208Y75.8Confident83.8Confident94 Ų9465 Ų6537%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-85.3106.6173.8-170.1-118.4000110.1G211 K212 Y213Y208-G211 WeakPolarHBondContact OH-CA 3.32Å; Y208-G211 PolarHBondContact OH-O 3.07Å; Y208-K212 WeakPolarHBondContact CD2-O 3.45Å; Y208-Y213 AromaticContact CD2-CD2 3.21Å; Y208-Y213 HydrophobicContact CD2-CD2 3.21Å; Y208-Y213 AromaticContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CG 4.13Å; Y208-Y213 AromaticContact CE2-CD2 3.83Å; Y208-Y213 HydrophobicContact CE2-CD2 3.83Å; Y208-Y213 AromaticContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CG-CD2 4.13Å; Y208-Y213 AromaticContact CG-CE2 3.98Å; Y208-Y213 HydrophobicContact CG-CE2 3.98Å
209V79.3Confident84.2Confident62 Ų6266.1 Ų66.138%0.37635%0.348SS..EExtended strand (participates in β ladder)trans-133.7135.7-177-169.80000109.2K207 G211 K212 V216K207-V209 HydrophobicContact CB-CG2 4.13Å; K207-V209 PolarHBondContact O-N 3.2Å; V209-G211 PolarHBondContact O-N 2.78Å; V209-K212 PolarHBondContact N-O 3.03Å; V209-K212 PolarHBondContact O-N 2.88Å; V209-V216 HydrophobicContact CG2-CG2 3.72Å
210N77.9Confident84.8Confident165 Ų16562.9 Ų62.988%0.88233%0.334SS*.THydrogen-bonded Turntrans54.434.4178.8-57.2-30.2000114.5K212N210-K212 VanDerWaalsContact C-N 3.34Å; N210-K212 PolarHBondContact O-N 3.36Å
211G68.1Low85.2Confident52 Ų5263.1 Ų63.154%0.53634%0.336SS..THydrogen-bonded Turntrans80.19177.100000115.2Y208 V209Y208-G211 WeakPolarHBondContact OH-CA 3.32Å; Y208-G211 PolarHBondContact OH-O 3.07Å; V209-G211 PolarHBondContact O-N 2.78Å
212K74.9Confident85.3Confident133 Ų13362.6 Ų62.658%0.57835%0.345SS*.EExtended strand (participates in β ladder)trans-138152.7176.2-173.8-179.4174.2-174.30109.8Y208 V209 N210Y208-K212 WeakPolarHBondContact CD2-O 3.45Å; V209-K212 PolarHBondContact N-O 3.03Å; V209-K212 PolarHBondContact O-N 2.88Å; N210-K212 VanDerWaalsContact C-N 3.34Å; N210-K212 PolarHBondContact O-N 3.36Å
213Y76.6Confident85.4Confident18 Ų1859.9 Ų59.97%0.07133%0.331CS..EExtended strand (participates in β ladder)trans-81.6126.6169.2-71.3-125.8000108.8K68 T88 R187 L206 K207 Y208K68-Y213 HydrophobicContact CB-CE2 4.23Å; K68-Y213 HydrophobicContact CD-CD2 3.68Å; K68-Y213 HydrophobicContact CD-CE2 3.94Å; K68-Y213 HydrophobicContact CD-CG 4.25Å; K68-Y213 HydrophobicContact CG-CD2 3.34Å; K68-Y213 HydrophobicContact CG-CE1 4.45Å; K68-Y213 HydrophobicContact CG-CE2 3.04Å; K68-Y213 HydrophobicContact CG-CG 4.19Å; T88-Y213 PolarHBondContact OG1-OH 2.05Å; R187-Y213 PolarHBondContact NH2-O 3.29Å; L206-Y213 HydrophobicContact CD2-CD1 3.88Å; L206-Y213 HydrophobicContact CG-CD1 3.95Å; K207-Y213 WeakPolarHBondContact O-CA 3.44Å; Y208-Y213 AromaticContact CD2-CD2 3.21Å; Y208-Y213 HydrophobicContact CD2-CD2 3.21Å; Y208-Y213 AromaticContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CG 4.13Å; Y208-Y213 AromaticContact CE2-CD2 3.83Å; Y208-Y213 HydrophobicContact CE2-CD2 3.83Å; Y208-Y213 AromaticContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CG-CD2 4.13Å; Y208-Y213 AromaticContact CG-CE2 3.98Å; Y208-Y213 HydrophobicContact CG-CE2 3.98Å
214D84.2Confident85.4Confident72 Ų7267 Ų6739%0.38536%0.36SS..EExtended strand (participates in β ladder)trans-131.8158.2178.4-148.8-1.4000111.3R187 L206 K207 V216R187-D214 IonicContact NH2-OD1 3.81Å; L206-D214 CarbonylContact C-O 3.26Å; L206-D214 WeakPolarHBondContact CA-O 3.43Å; K207-D214 PolarHBondContact N-O 3Å; K207-D214 PolarHBondContact O-N 3.43Å; D214-V216 PolarHBondContact O-N 3.42Å
215C89Confident85.6Confident4 Ų470 Ų703%0.02738%0.381CS..EExtended strand (participates in β ladder)trans-84.4103.9175-65.20000108N186 R187 C200 D205N186-C215 HydrophobicContact CB-CB 4.04Å; R187-C215 HydrophobicContact CG-CB 4.43Å; R187-C215 WeakPolarHBondContact CG-SG 3.4Å; R187-C215 VanDerWaalsContact CZ-SG 3.51Å; C200-C215 WeakPolarHBondContact CA-SG 3.02Å; C200-C215 HydrophobicContact CB-CB 3.81Å; C200-C215 WeakPolarHBondContact CB-SG 3.17Å; C200-C215 WeakPolarHBondContact SG-CB 3.46Å; C200-C215 CovalentContact SG-SG 2.04Å; C200-C215 PolarHBondContact SG-SG 3.36Å; D205-C215 WeakPolarHBondContact O-CA 3.3Å
216V89.9Confident86.1Confident50 Ų5069.4 Ų69.430%0.30338%0.376SS..EExtended strand (participates in β ladder)trans-99.9141.5-178.8-176.60000108.4Y204 D205 K207 V209 D214 L218Y204-V216 CarbonylContact C-O 3.59Å; Y204-V216 VanDerWaalsContact CA-O 3.3Å; Y204-V216 WeakPolarHBondContact CA-O 3.01Å; D205-V216 PolarHBondContact N-O 2.76Å; D205-V216 PolarHBondContact O-N 3.42Å; K207-V216 HydrophobicContact CB-CB 4.26Å; K207-V216 HydrophobicContact CB-CG2 3.93Å; K207-V216 HydrophobicContact CD-CB 4.25Å; K207-V216 HydrophobicContact CG-CB 4.42Å; V209-V216 HydrophobicContact CG2-CG2 3.72Å; D214-V216 PolarHBondContact O-N 3.42Å; V216-L218 PolarHBondContact O-N 2.02Å
217D93.6Very high86.7Confident30 Ų3074 Ų7416%0.1639%0.393CS..EExtended strand (participates in β ladder)trans-49.5130.7174.7-170.259.7000111.2Y204 N236 H238 G239Y204-D217 HydrophobicContact CD1-CB 4.45Å; Y204-D217 HydrophobicContact CE1-CB 4.21Å; D217-N236 PolarHBondContact OD2-ND2 3.12Å; D217-N236 PolarHBondContact OD2-OD1 3.17Å; D217-H238 WeakPolarHBondContact OD1-CA 3.46Å; D217-G239 PolarHBondContact OD1-N 2.91Å
218L91.9Very high87.5Confident48 Ų4871.1 Ų71.125%0.25138%0.383SS..PPolyproline II helixtrans-79.7120169.6-84.8157.6000107.7G203 D205 V216 E220G203-L218 WeakPolarHBondContact O-CB 3.45Å; G203-L218 PolarHBondContact O-N 2.87Å; D205-L218 HydrophobicContact CB-CD1 3.94Å; D205-L218 HydrophobicContact CB-CD2 3.7Å; D205-L218 HydrophobicContact CB-CG 3.64Å; V216-L218 PolarHBondContact O-N 2.02Å; L218-E220 VanDerWaalsContact O-CD 3.29Å; L218-E220 PolarHBondContact O-N 2.04Å; L218-E220 VanDerWaalsContact O-OE2 3.05Å
219D93.9Very high88.5Confident56 Ų5667.7 Ų67.730%0.29937%0.372SS..  trans-8886.7175-166.7-33.3000109C221 A222 D223 N236D219-C221 PolarHBondContact O-N 3.4Å; D219-C221 VanDerWaalsContact O-N 3.1Å; D219-C221 WeakPolarHBondContact OD1-CA 2.87Å; D219-C221 VanDerWaalsContact OD1-CB 3.3Å; D219-C221 WeakPolarHBondContact OD1-CB 3.46Å; D219-C221 PolarHBondContact OD1-N 3.19Å; D219-C221 VanDerWaalsContact OD1-N 3.09Å; D219-A222 HydrophobicContact CB-CB 3.9Å; D219-A222 PolarHBondContact O-N 3.22Å; D219-A222 VanDerWaalsContact O-N 3.12Å; D219-A222 PolarHBondContact OD1-N 3.3Å; D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3Å; D219-N236 VanDerWaalsContact CG-ND2 3.26Å; D219-N236 WeakPolarHBondContact OD1-CB 2.99Å; D219-N236 PolarHBondContact OD2-ND2 3.46Å
220E95Very high89.2Confident23 Ų2372 Ų7211%0.10739%0.388CS..THydrogen-bonded Turntrans-65.7-15.5-178.7-51.696.3149.900112.4L218 E224 T225 H226 N236 Y241L218-E220 VanDerWaalsContact O-CD 3.29Å; L218-E220 PolarHBondContact O-N 2.04Å; L218-E220 VanDerWaalsContact O-OE2 3.05Å; E220-E224 PolarHBondContact O-N 3.09Å; E220-T225 PolarHBondContact O-N 3.12Å; E220-H226 HydrophobicContact CB-CB 4.47Å; E220-H226 PolarHBondContact O-N 3.36Å; E220-N236 PolarHBondContact OE2-OD1 3.1Å; E220-Y241 HydrophobicContact CB-CD1 3.6Å; E220-Y241 HydrophobicContact CB-CE1 4.05Å; E220-Y241 HydrophobicContact CB-CG 4.13Å; E220-Y241 VanDerWaalsContact CD-CD1 3.46Å; E220-Y241 HydrophobicContact CG-CD1 3.73Å; E220-Y241 HydrophobicContact CG-CE1 4.12Å; E220-Y241 WeakPolarHBondContact OE2-CD1 3.08Å
221C94.8Very high90Very high30 Ų3067 Ų6720%0.20336%0.36CS..THydrogen-bonded Turntrans-78.4-41.5173.4-57.10000112.6D219 C234 L235 N236D219-C221 PolarHBondContact O-N 3.4Å; D219-C221 VanDerWaalsContact O-N 3.1Å; D219-C221 WeakPolarHBondContact OD1-CA 2.87Å; D219-C221 VanDerWaalsContact OD1-CB 3.3Å; D219-C221 WeakPolarHBondContact OD1-CB 3.46Å; D219-C221 PolarHBondContact OD1-N 3.19Å; D219-C221 VanDerWaalsContact OD1-N 3.09Å; C221-C234 WeakPolarHBondContact CA-SG 3.36Å; C221-C234 HydrophobicContact CB-CB 3.75Å; C221-C234 WeakPolarHBondContact CB-SG 3.47Å; C221-C234 WeakPolarHBondContact SG-CB 3.41Å; C221-C234 CovalentContact SG-SG 2.04Å; C221-C234 PolarHBondContact SG-SG 3.21Å; C221-L235 PolarHBondContact SG-N 3.43Å; C221-N236 HydrophobicContact CB-CB 4.41Å; C221-N236 PolarHBondContact SG-N 3.18Å
222A93.8Very high91.3Very high70 Ų7065.1 Ų65.158%0.57934%0.339SS*.THydrogen-bonded Turntrans-74.5-35.7176.400000112.2D219 E224D219-A222 HydrophobicContact CB-CB 3.9Å; D219-A222 PolarHBondContact O-N 3.22Å; D219-A222 VanDerWaalsContact O-N 3.12Å; D219-A222 PolarHBondContact OD1-N 3.3Å; A222-E224 PolarHBondContact O-N 2.92Å
223D90.6Very high92.4Very high84 Ų8461.7 Ų61.745%0.44933%0.329SS..THydrogen-bonded Turntrans-81.5-1.6179.8-67-18.9000112.7D219 T225D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3Å; D223-T225 HydrophobicContact CB-CG2 4.16Å; D223-T225 PolarHBondContact O-N 2.86Å
224E90.8Very high93.3Very high165 Ų16561.9 Ų61.977%0.77133%0.332SS*.THydrogen-bonded Turntrans54.422-177.3-58.6-171.9166.700114.4E220 A222 H226E220-E224 PolarHBondContact O-N 3.09Å; A222-E224 PolarHBondContact O-N 2.92Å; E224-H226 VanDerWaalsContact C-N 3.32Å
225T92.6Very high93.9Very high91 Ų9160.7 Ų60.756%0.55833%0.326SS*.  trans-88.2-1.5179.156.90000113.2E220 D223E220-T225 PolarHBondContact O-N 3.12Å; D223-T225 HydrophobicContact CB-CG2 4.16Å; D223-T225 PolarHBondContact O-N 2.86Å
226H93.3Very high94.2Very high63 Ų6363 Ų6329%0.29234%0.338SS..  trans-64.8150.7179.869.660.9000113.4E220 E224 C228 C234 Y241E220-H226 HydrophobicContact CB-CB 4.47Å; E220-H226 PolarHBondContact O-N 3.36Å; E224-H226 VanDerWaalsContact C-N 3.32Å; H226-C228 PolarHBondContact ND1-N 3.2Å; H226-C234 VanDerWaalsContact CB-SG 3.58Å; H226-C234 PolarHBondContact CD2-SG 3.24Å; H226-Y241 HydrophobicContact CB-CD2 3.77Å; H226-Y241 HydrophobicContact CB-CE2 3.56Å; H226-Y241 HydrophobicContact CB-CG 4.35Å
227K95.5Very high94.4Very high166 Ų16662.9 Ų62.972%0.72234%0.338SS*.  trans-9920.2175.6-60.6179.4-179.4177.10113.3Y241 F254K227-Y241 WeakPolarHBondContact CB-OH 3.49Å; K227-Y241 PolarHBondContact N-OH 2.86Å; K227-F254 HydrophobicContact CB-CD1 4.23Å; K227-F254 HydrophobicContact CB-CE1 4.34Å; K227-F254 WeakPolarHBondContact O-CD1 3.15Å
228C96.1Very high94.3Very high17 Ų1769.4 Ų69.412%0.11537%0.367CS..  trans-60.2149.4178.4-61.70000112.3H226 A232 C243H226-C228 PolarHBondContact ND1-N 3.2Å; C228-A232 HydrophobicContact CB-CB 4.28Å; C228-C243 WeakPolarHBondContact CA-SG 3.48Å; C228-C243 HydrophobicContact CB-CB 3.71Å; C228-C243 WeakPolarHBondContact CB-SG 3.35Å; C228-C243 WeakPolarHBondContact SG-CB 3.44Å; C228-C243 CovalentContact SG-SG 2.02Å; C228-C243 PolarHBondContact SG-SG 3.07Å
229S96.1Very high94.3Very high22 Ų2268 Ų6815%0.15436%0.364CS..  trans-58.2148.3170.9-176.50000110.6H231 A232 G253 F254S229-H231 PolarHBondContact O-N 3.14Å; S229-H231 VanDerWaalsContact O-N 3.07Å; S229-H231 PolarHBondContact OG-N 2.04Å; S229-A232 WeakPolarHBondContact O-CB 3.43Å; S229-A232 PolarHBondContact O-N 2.83Å; S229-G253 WeakPolarHBondContact CB-O 3.41Å; S229-G253 PolarHBondContact N-O 3.39Å; S229-F254 WeakPolarHBondContact CB-O 3.06Å; S229-F254 PolarHBondContact N-O 2.03Å
230Q94.3Very high94.3Very high152 Ų15268 Ų6871%0.7137%0.368SS*.THydrogen-bonded Turntrans-54.2-27.5169.367.7-17611.900113.2A232 K246Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-K246 PolarHBondContact O-NZ 3.22Å
231H94.9Very high94.3Very high62 Ų6268.8 Ų68.829%0.28737%0.37SS..THydrogen-bonded Turntrans-94.619.5176.8-57-58000113S229 K246 F249 C256S229-H231 PolarHBondContact O-N 3.14Å; S229-H231 VanDerWaalsContact O-N 3.07Å; S229-H231 PolarHBondContact OG-N 2.04Å; H231-K246 WeakPolarHBondContact O-CB 3.44Å; H231-K246 WeakPolarHBondContact O-CG 3.35Å; H231-K246 PolarHBondContact O-N 3.42Å; H231-F249 HydrophobicContact CB-CD1 3.65Å; H231-F249 HydrophobicContact CB-CD2 4.08Å; H231-F249 HydrophobicContact CB-CE1 3.76Å; H231-F249 HydrophobicContact CB-CE2 4.18Å; H231-F249 HydrophobicContact CB-CG 3.84Å; H231-F249 HydrophobicContact CB-CZ 4.03Å; H231-F249 AromaticContact CD2-CE1 3.48Å; H231-F249 VanDerWaalsContact CD2-CE1 3.48Å; H231-F249 WeakPolarHBondContact CD2-CE1 3.37Å; H231-F249 AromaticContact CD2-CZ 4Å; H231-F249 AromaticContact CE1-CZ 3.8Å; H231-F249 AromaticContact CG-CD1 3.81Å; H231-F249 AromaticContact CG-CE1 3.38Å; H231-F249 AromaticContact CG-CZ 3.56Å; H231-F249 AromaticContact ND1-CE1 3.73Å; H231-F249 AromaticContact ND1-CE2 3.97Å; H231-F249 AromaticContact ND1-CZ 3.43Å; H231-F249 WeakPolarHBondContact ND1-CZ 3.28Å; H231-F249 AromaticContact NE2-CE1 3.9Å; H231-C256 HydrophobicContact CB-CB 3.97Å
232A96.6Very high94.4Very high11 Ų1174.8 Ų74.89%0.09139%0.389CS..EExtended strand (participates in β ladder)trans-120.6163.4174.900000112.3C228 S229 Q230 C243 R244 K246 G253C228-A232 HydrophobicContact CB-CB 4.28Å; S229-A232 WeakPolarHBondContact O-CB 3.43Å; S229-A232 PolarHBondContact O-N 2.83Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; A232-C243 HydrophobicContact CB-CB 4.26Å; A232-R244 CarbonylContact C-O 3.25Å; A232-R244 VanDerWaalsContact CA-O 3.27Å; A232-R244 WeakPolarHBondContact CA-O 3.41Å; A232-R244 WeakPolarHBondContact CB-O 3.42Å; A232-K246 WeakPolarHBondContact O-CE 3.37Å; A232-G253 WeakPolarHBondContact CB-O 3.36Å
233V96.1Very high94.5Very high61 Ų6172.1 Ų72.137%0.3737%0.366SS..EExtended strand (participates in β ladder)trans-106.7128.7169.7-1800000107.3L235 R244 K246V233-L235 HydrophobicContact CG1-CD2 4.4Å; V233-R244 PolarHBondContact N-O 3.34Å; V233-R244 PolarHBondContact O-N 3.02Å; V233-K246 HydrophobicContact CG2-CG 3.86Å
234C97.3Very high94.8Very high22 Ų2275.6 Ų75.615%0.14937%0.373CS..EExtended strand (participates in β ladder)trans-76.5138.9172.9-169.90000110.1C221 H226C221-C234 WeakPolarHBondContact CA-SG 3.36Å; C221-C234 HydrophobicContact CB-CB 3.75Å; C221-C234 WeakPolarHBondContact CB-SG 3.47Å; C221-C234 WeakPolarHBondContact SG-CB 3.41Å; C221-C234 CovalentContact SG-SG 2.04Å; C221-C234 PolarHBondContact SG-SG 3.21Å; H226-C234 VanDerWaalsContact CB-SG 3.58Å; H226-C234 PolarHBondContact CD2-SG 3.24Å
235L96.1Very high95.1Very high48 Ų4868.9 Ų68.925%0.25134%0.343SS..EExtended strand (participates in β ladder)trans-130.7113.5174.9-59.1171.7000108.4C221 V233 Y241 R242 R244C221-L235 PolarHBondContact SG-N 3.43Å; V233-L235 HydrophobicContact CG1-CD2 4.4Å; L235-Y241 WeakPolarHBondContact O-CA 3.04Å; L235-R242 HydrophobicContact CB-CG 3.8Å; L235-R242 HydrophobicContact CD1-CG 4.24Å; L235-R242 PolarHBondContact N-O 3.32Å; L235-R242 PolarHBondContact O-N 2.78Å; L235-R244 HydrophobicContact CD1-CB 4.25Å
236N96Very high95.2Very high51 Ų5168.8 Ų68.827%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-68.9144.9178.3-172.429.3000110.9D217 D219 E220 C221 S240D217-N236 PolarHBondContact OD2-ND2 3.12Å; D217-N236 PolarHBondContact OD2-OD1 3.17Å; D219-N236 VanDerWaalsContact CG-ND2 3.26Å; D219-N236 WeakPolarHBondContact OD1-CB 2.99Å; D219-N236 PolarHBondContact OD2-ND2 3.46Å; E220-N236 PolarHBondContact OE2-OD1 3.1Å; C221-N236 HydrophobicContact CB-CB 4.41Å; C221-N236 PolarHBondContact SG-N 3.18Å; N236-S240 PolarHBondContact OD1-O 3.32Å
237T93.4Very high95.2Very high49 Ų4971.8 Ų71.830%0.30136%0.36SS..EExtended strand (participates in β ladder)trans-140.6158.2179550000109.7G239 S240 R242T237-G239 PolarHBondContact O-N 3.01Å; T237-S240 CarbonylContact C-O 3.59Å; T237-S240 VanDerWaalsContact C-O 3.25Å; T237-S240 VanDerWaalsContact CA-O 3.29Å; T237-S240 WeakPolarHBondContact CA-O 3.12Å; T237-S240 WeakPolarHBondContact CB-O 3.43Å; T237-S240 PolarHBondContact N-O 3.45Å; T237-S240 CarbonylContact O-C 3.5Å; T237-S240 PolarHBondContact O-N 2.9Å; T237-S240 VanDerWaalsContact O-N 3.08Å; T237-S240 PolarHBondContact OG1-O 3.25Å; T237-R242 HydrophobicContact CG2-CG 4.27Å
238H92.1Very high94.9Very high166 Ų16665.9 Ų65.977%0.76935%0.346SS*.THydrogen-bonded Turntrans-64.2115.8-179.3-74.565000111D217D217-H238 WeakPolarHBondContact OD1-CA 3.46Å
239G90.9Very high94.8Very high18 Ų1867.5 Ų67.519%0.18635%0.352CS..THydrogen-bonded Turntrans80.97.8-178.600000115.2Y204 D217 T237Y204-G239 PolarHBondContact OH-N 2.97Å; D217-G239 PolarHBondContact OD1-N 2.91Å; T237-G239 PolarHBondContact O-N 3.01Å
240S94.3Very high94.5Very high57 Ų5774.3 Ų74.340%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-172.8-174.4-179.5-1560000113N236 T237N236-S240 PolarHBondContact OD1-O 3.32Å; T237-S240 CarbonylContact C-O 3.59Å; T237-S240 VanDerWaalsContact C-O 3.25Å; T237-S240 VanDerWaalsContact CA-O 3.29Å; T237-S240 WeakPolarHBondContact CA-O 3.12Å; T237-S240 WeakPolarHBondContact CB-O 3.43Å; T237-S240 PolarHBondContact N-O 3.45Å; T237-S240 CarbonylContact O-C 3.5Å; T237-S240 PolarHBondContact O-N 2.9Å; T237-S240 VanDerWaalsContact O-N 3.08Å; T237-S240 PolarHBondContact OG1-O 3.25Å
241Y95.6Very high94.5Very high39 Ų3969.7 Ų69.715%0.15337%0.367CS..EExtended strand (participates in β ladder)trans-132.8157.916964.5-77.4000111.2E220 H226 K227 L235 F254E220-Y241 HydrophobicContact CB-CD1 3.6Å; E220-Y241 HydrophobicContact CB-CE1 4.05Å; E220-Y241 HydrophobicContact CB-CG 4.13Å; E220-Y241 VanDerWaalsContact CD-CD1 3.46Å; E220-Y241 HydrophobicContact CG-CD1 3.73Å; E220-Y241 HydrophobicContact CG-CE1 4.12Å; E220-Y241 WeakPolarHBondContact OE2-CD1 3.08Å; H226-Y241 HydrophobicContact CB-CD2 3.77Å; H226-Y241 HydrophobicContact CB-CE2 3.56Å; H226-Y241 HydrophobicContact CB-CG 4.35Å; K227-Y241 WeakPolarHBondContact CB-OH 3.49Å; K227-Y241 PolarHBondContact N-OH 2.86Å; L235-Y241 WeakPolarHBondContact O-CA 3.04Å; Y241-F254 AromaticContact CE2-CE1 3.59Å; Y241-F254 HydrophobicContact CE2-CE1 3.59Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å; Y241-F254 AromaticContact CZ-CE1 3.99Å
242R95.5Very high94.4Very high156 Ų15671.7 Ų71.759%0.58938%0.38SS*.EExtended strand (participates in β ladder)trans-124.1146.9170.867.7-178.2-179.7174.4-2.3110.8L235 T237L235-R242 HydrophobicContact CB-CG 3.8Å; L235-R242 HydrophobicContact CD1-CG 4.24Å; L235-R242 PolarHBondContact N-O 3.32Å; L235-R242 PolarHBondContact O-N 2.78Å; T237-R242 HydrophobicContact CG2-CG 4.27Å
243C97.2Very high94.2Very high14 Ų1471.2 Ų71.210%0.09538%0.376CS..EExtended strand (participates in β ladder)trans-105.5138.8178.8-51.90000110.1C228 A232 G253 F254C228-C243 WeakPolarHBondContact CA-SG 3.48Å; C228-C243 HydrophobicContact CB-CB 3.71Å; C228-C243 WeakPolarHBondContact CB-SG 3.35Å; C228-C243 WeakPolarHBondContact SG-CB 3.44Å; C228-C243 CovalentContact SG-SG 2.02Å; C228-C243 PolarHBondContact SG-SG 3.07Å; A232-C243 HydrophobicContact CB-CB 4.26Å; C243-G253 VanDerWaalsContact CB-O 3.23Å; C243-G253 WeakPolarHBondContact CB-O 3.5Å; C243-F254 HydrophobicContact CB-CD2 4.48Å; C243-F254 HydrophobicContact CB-CE2 4.46Å; C243-F254 VanDerWaalsContact SG-CE1 3.5Å
244R96.4Very high94.1Very high158 Ų15872.5 Ų72.560%0.59638%0.377SS*.EExtended strand (participates in β ladder)trans-125.2120.9175.1-176.6174.865171.9-0.6110A232 V233 L235 K246A232-R244 CarbonylContact C-O 3.25Å; A232-R244 VanDerWaalsContact CA-O 3.27Å; A232-R244 WeakPolarHBondContact CA-O 3.41Å; A232-R244 WeakPolarHBondContact CB-O 3.42Å; V233-R244 PolarHBondContact N-O 3.34Å; V233-R244 PolarHBondContact O-N 3.02Å; L235-R244 HydrophobicContact CD1-CB 4.25Å; R244-K246 PolarHBondContact O-N 3.5Å
245C96.6Very high94Very high23 Ų2378.6 Ų78.616%0.15540%0.403CS..EExtended strand (participates in β ladder)trans-55.2137.8176.9-61.70000111.3F249 C256C245-F249 HydrophobicContact CB-CB 3.94Å; C245-C256 WeakPolarHBondContact CA-SG 3.07Å; C245-C256 HydrophobicContact CB-CB 3.99Å; C245-C256 WeakPolarHBondContact CB-SG 3.08Å; C245-C256 WeakPolarHBondContact SG-CB 3.33Å; C245-C256 CovalentContact SG-SG 2.05Å; C245-C256 PolarHBondContact SG-SG 2.05Å
246K95.6Very high93.9Very high90 Ų9077 Ų7739%0.39140%0.396SS..PPolyproline II helixtrans-62.2157.7174.5-71.2172.1-178.5162.50110Q230 H231 A232 V233 R244 G248 F249Q230-K246 PolarHBondContact O-NZ 3.22Å; H231-K246 WeakPolarHBondContact O-CB 3.44Å; H231-K246 WeakPolarHBondContact O-CG 3.35Å; H231-K246 PolarHBondContact O-N 3.42Å; A232-K246 WeakPolarHBondContact O-CE 3.37Å; V233-K246 HydrophobicContact CG2-CG 3.86Å; R244-K246 PolarHBondContact O-N 3.5Å; K246-G248 PolarHBondContact O-N 3.05Å; K246-F249 HydrophobicContact CB-CD2 4.49Å; K246-F249 PolarHBondContact O-N 3.19Å
247P93.1Very high93.7Very high125 Ų12578.3 Ų78.381%0.81241%0.409SS*.THydrogen-bonded Turntrans-50.2140173.4-26.335.1000111.7F249P247-F249 VanDerWaalsContact C-N 3.32Å
248G89.6Confident93.6Very high42 Ų4279.2 Ų79.243%0.43342%0.421SS..THydrogen-bonded Turntrans84.7-4.5-173.300000115.2K246 K259K246-G248 PolarHBondContact O-N 3.05Å; G248-K259 PolarHBondContact O-N 2.98Å
249F92.6Very high93.2Very high52 Ų5276.7 Ų76.723%0.22841%0.408CS..EExtended strand (participates in β ladder)trans-121.6153.3176.1-64.3-99.3000112.3H231 C245 K246 P247 C256 S257 A258 K259H231-F249 HydrophobicContact CB-CD1 3.65Å; H231-F249 HydrophobicContact CB-CD2 4.08Å; H231-F249 HydrophobicContact CB-CE1 3.76Å; H231-F249 HydrophobicContact CB-CE2 4.18Å; H231-F249 HydrophobicContact CB-CG 3.84Å; H231-F249 HydrophobicContact CB-CZ 4.03Å; H231-F249 AromaticContact CD2-CE1 3.48Å; H231-F249 VanDerWaalsContact CD2-CE1 3.48Å; H231-F249 WeakPolarHBondContact CD2-CE1 3.37Å; H231-F249 AromaticContact CD2-CZ 4Å; H231-F249 AromaticContact CE1-CZ 3.8Å; H231-F249 AromaticContact CG-CD1 3.81Å; H231-F249 AromaticContact CG-CE1 3.38Å; H231-F249 AromaticContact CG-CZ 3.56Å; H231-F249 AromaticContact ND1-CE1 3.73Å; H231-F249 AromaticContact ND1-CE2 3.97Å; H231-F249 AromaticContact ND1-CZ 3.43Å; H231-F249 WeakPolarHBondContact ND1-CZ 3.28Å; H231-F249 AromaticContact NE2-CE1 3.9Å; C245-F249 HydrophobicContact CB-CB 3.94Å; K246-F249 HydrophobicContact CB-CD2 4.49Å; K246-F249 PolarHBondContact O-N 3.19Å; P247-F249 VanDerWaalsContact C-N 3.32Å; F249-C256 HydrophobicContact CB-CB 4.07Å; F249-C256 HydrophobicContact CD1-CB 4.4Å; F249-S257 CarbonylContact C-O 3.55Å; F249-S257 WeakPolarHBondContact CA-O 3.04Å; F249-A258 HydrophobicContact CE1-CB 4.37Å; F249-K259 WeakPolarHBondContact O-CE 3.28Å
250R91.3Very high92.4Very high165 Ų16580.1 Ų80.162%0.62343%0.427SS*.EExtended strand (participates in β ladder)trans-134.6146.9176.5-174.8178.4-178.3175.51.4110.1S257 K259R250-S257 PolarHBondContact N-O 3.31Å; R250-S257 PolarHBondContact O-N 3.37Å; R250-S257 PolarHBondContact O-OG 3.44Å; R250-K259 HydrophobicContact CB-CG 3.92Å
251G92.9Very high90.9Very high54 Ų5487.7 Ų87.756%0.55745%0.453SS*.EExtended strand (participates in β ladder)trans154.3-162.2178.600000110.8G253 E255G251-G253 VanDerWaalsContact C-N 3.32Å; G251-E255 WeakPolarHBondContact CA-O 3.5Å
252N92.4Very high89.1Confident105 Ų10596.5 Ų96.556%0.56149%0.488SS*.SBendtrans-89.12.2179.266.26.3000113F254 E255N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 2.84Å; N252-F254 PolarHBondContact OD1-N 3.5Å; N252-E255 PolarHBondContact N-O 2.8Å; N252-E255 PolarHBondContact OD1-N 3.41Å; N252-E255 PolarHBondContact OD1-O 3.37Å
253G93Very high86.8Confident0 Ų095.9 Ų95.90%049%0.492CS..SBendtrans89.1-29.2-178.600000114.3S229 A232 C243 G251S229-G253 WeakPolarHBondContact CB-O 3.41Å; S229-G253 PolarHBondContact N-O 3.39Å; A232-G253 WeakPolarHBondContact CB-O 3.36Å; C243-G253 VanDerWaalsContact CB-O 3.23Å; C243-G253 WeakPolarHBondContact CB-O 3.5Å; G251-G253 VanDerWaalsContact C-N 3.32Å
254F93.8Very high84.2Confident89 Ų89106.6 Ų106.639%0.3953%0.53SS..SBendtrans-79.5-32.7169.1-64.3-86.5000110.8K227 S229 Y241 C243 N252K227-F254 HydrophobicContact CB-CD1 4.23Å; K227-F254 HydrophobicContact CB-CE1 4.34Å; K227-F254 WeakPolarHBondContact O-CD1 3.15Å; S229-F254 WeakPolarHBondContact CB-O 3.06Å; S229-F254 PolarHBondContact N-O 2.03Å; Y241-F254 AromaticContact CE2-CE1 3.59Å; Y241-F254 HydrophobicContact CE2-CE1 3.59Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å; Y241-F254 AromaticContact CZ-CE1 3.99Å; C243-F254 HydrophobicContact CB-CD2 4.48Å; C243-F254 HydrophobicContact CB-CE2 4.46Å; C243-F254 VanDerWaalsContact SG-CE1 3.5Å; N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 2.84Å; N252-F254 PolarHBondContact OD1-N 3.5Å
255E95Very high81.6Confident149 Ų149103.4 Ų103.470%0.69653%0.532SS*.SBendtrans-125.5126.4170.6-168.6173-165.900108.4G251 N252G251-E255 WeakPolarHBondContact CA-O 3.5Å; N252-E255 PolarHBondContact N-O 2.8Å; N252-E255 PolarHBondContact OD1-N 3.41Å; N252-E255 PolarHBondContact OD1-O 3.37Å
256C94.4Very high79.1Confident15 Ų15114.7 Ų114.710%0.10157%0.571CS.*EExtended strand (participates in β ladder)trans-132.7120.5-176.9-69.40000109.2H231 C245 F249H231-C256 HydrophobicContact CB-CB 3.97Å; C245-C256 WeakPolarHBondContact CA-SG 3.07Å; C245-C256 HydrophobicContact CB-CB 3.99Å; C245-C256 WeakPolarHBondContact CB-SG 3.08Å; C245-C256 WeakPolarHBondContact SG-CB 3.33Å; C245-C256 CovalentContact SG-SG 2.05Å; C245-C256 PolarHBondContact SG-SG 2.05Å; F249-C256 HydrophobicContact CB-CB 4.07Å; F249-C256 HydrophobicContact CD1-CB 4.4Å
257S93.1Very high76.6Confident78 Ų78116.2 Ų116.255%0.54558%0.584SS.*EExtended strand (participates in β ladder)trans-106.9149.1175.156.40000110.3F249 R250 K259F249-S257 CarbonylContact C-O 3.55Å; F249-S257 WeakPolarHBondContact CA-O 3.04Å; R250-S257 PolarHBondContact N-O 3.31Å; R250-S257 PolarHBondContact O-N 3.37Å; R250-S257 PolarHBondContact O-OG 3.44Å; S257-K259 PolarHBondContact O-N 3.36Å
258A90.1Very high74.4Confident69 Ų69114.5 Ų114.557%0.5759%0.589SS**EExtended strand (participates in β ladder)trans-60.8135.1177.800000110.2F249 P260F249-A258 HydrophobicContact CE1-CB 4.37Å; A258-P260 WeakPolarHBondContact O-CD 3.4Å
259K83Confident72.1Confident113 Ų113119.6 Ų119.649%0.49161%0.606SS.*PPolyproline II helixtrans-66.4124.3172.4-71.9-177.2-178.8-176.30108.1G248 F249 R250 S257 F261G248-K259 PolarHBondContact O-N 2.98Å; F249-K259 WeakPolarHBondContact O-CE 3.28Å; R250-K259 HydrophobicContact CB-CG 3.92Å; S257-K259 PolarHBondContact O-N 3.36Å; K259-F261 PolarHBondContact O-N 2.75Å
260P74.1Confident69.9Low90 Ų90127.2 Ų127.258%0.58464%0.639SS**PPolyproline II helixtrans-63.5130.6171.423.8-29.9000109.1A258 Y262 Q263A258-P260 WeakPolarHBondContact O-CD 3.4Å; P260-Y262 PolarHBondContact O-N 2.96Å; P260-Q263 PolarHBondContact O-N 3.06Å
261F63.5Low67.3Low215 Ų215122.9 Ų122.994%0.94365%0.646SS**THydrogen-bonded Turntrans-57.1-6.7-175.8-91.5-94.2000115.3K259K259-F261 PolarHBondContact O-N 2.75Å
262Y58.4Low64.5Low224 Ų224125.8 Ų125.888%0.87866%0.658SS**THydrogen-bonded Turntrans-99.9-1.2-172.6-96.5-86.5000116.4P260 R264P260-Y262 PolarHBondContact O-N 2.96Å; Y262-R264 PolarHBondContact O-N 3.04Å
263Q46.3Very low62Low144 Ų144126 Ų12667%0.67367%0.674SS**  trans-95.491.3172-83.2178.1-29.100110.8P260 S265P260-Q263 PolarHBondContact O-N 3.06Å; Q263-S265 PolarHBondContact O-N 2.87Å
264R43.9Very low59.8Low239 Ų239132.7 Ų132.790%0.90271%0.71SS**  trans-58.2131.7152.8-70.4-175.1-168.6165.33.8107.5Y262 W266Y262-R264 PolarHBondContact O-N 3.04Å; R264-W266 PolarHBondContact O-N 2.96Å
265S41.1Very low57.3Low90 Ų90135 Ų13563%0.62973%0.726SS**  trans-52.7123.3169.3-130.40000108.6Q263 D267Q263-S265 PolarHBondContact O-N 2.87Å; S265-D267 PolarHBondContact O-N 3.43Å; S265-D267 PolarHBondContact OG-OD2 3.47Å
266W44.8Very low54.7Low261 Ų261133.8 Ų133.899%0.98973%0.734SS**  trans-77.168.9153.3-92.8-3.2000107.4R264R264-W266 PolarHBondContact O-N 2.96Å
267D41.4Very low52.4Low121 Ų121140 Ų14065%0.64777%0.766SS**  trans-114.6107.6156.5-68.2-59.6000104.7S265 D269S265-D267 PolarHBondContact O-N 3.43Å; S265-D267 PolarHBondContact OG-OD2 3.47Å; D267-D269 PolarHBondContact O-N 3.17Å
268G47.7Very low49.5Very low89 Ų89143.8 Ų143.892%0.91878%0.78SS**  trans-66.681.4171.600000108.9
269D41.9Very low46.9Very low149 Ų149146.5 Ų146.580%0.79779%0.789SS**  trans-143.6139.9161.5-137.3-13.5000111.8D267 G271D267-D269 PolarHBondContact O-N 3.17Å; D269-G271 PolarHBondContact O-N 3.07Å
270K46Very low44.6Very low212 Ų212148.5 Ų148.592%0.92280%0.803SS**  trans-69.792.7-171.5-73.1173.1175.1172.90110.4
271G35.7Very low43Very low74 Ų74149.4 Ų149.476%0.76381%0.809SS**  trans-101.7119.8171.400000112.1D269D269-G271 PolarHBondContact O-N 3.07Å
272S35Very low41.9Very low116 Ų116146.1 Ų146.181%0.81180%0.801SS**  trans-58.6144.2-179.1-171.30000113.4D274S272-D274 VanDerWaalsContact C-N 3.31Å; S272-D274 PolarHBondContact O-N 2.98Å
273A41Very low40.8Very low109 Ų109139.9 Ų139.990%0.90179%0.791SS**SBendtrans-77.376.2175.400000111.1
274D45.2Very low40.5Very low140 Ų140141.8 Ų141.875%0.74980%0.8SS**  trans-163.790161.7-176.1-12.4000106.8S272S272-D274 VanDerWaalsContact C-N 3.31Å; S272-D274 PolarHBondContact O-N 2.98Å
275D42.2Very low40Very low137 Ų137135.9 Ų135.973%0.73379%0.79SS**  trans176.486.9133.6-161.26.7000107.6
276S39.4Very low39.5Very low124 Ų124142.8 Ų142.887%0.86780%0.802SS**  trans-149.659.7173.3-68.70000109.7
277L46.6Very low39Very low147 Ų147135.7 Ų135.777%0.7779%0.79SS**  trans-136.997.6159.4-95.8155.6000105.9
278N33.3Very low38.6Very low157 Ų157138 Ų13884%0.8480%0.797SS**  trans178.2134.6130.8-87.5-33000113.3
279V34.9Very low38.4Very low125 Ų125141.9 Ų141.976%0.75880%0.795SS**  trans84.984.6163-162.70000117.6P281V279-P281 HydrophobicContact CG1-CG 4.28Å
280I33.6Very low37.9Very low155 Ų155142.2 Ų142.280%0.79580%0.795SS**  trans-97.7122.8142.2-56171.5000106.2
281P42.3Very low37.6Very low110 Ų110136 Ų13671%0.71479%0.791SS**  trans-87.9108.2155.410.29000108.1V279V279-P281 HydrophobicContact CG1-CG 4.28Å
282D39.4Very low37.4Very low145 Ų145135.1 Ų135.178%0.77578%0.782SS**  trans41.590.5151.8-143.64000117.8
283S35.3Very low37.9Very low94 Ų94140.2 Ų140.266%0.65779%0.79SS**  trans-136.3114.3155.2-179.30000108.5V285S283-V285 PolarHBondContact O-N 3.07Å
284Q39.5Very low37.7Very low183 Ų183141.1 Ų141.186%0.85578%0.779SS**  trans-72.568.2175.4-66.4-175.4500111.2
285V33.8Very low37.5Very low115 Ų115139 Ų13970%0.69778%0.775SS**  trans-143.598.7159.1-171.70000108.4S283 P287S283-V285 PolarHBondContact O-N 3.07Å; V285-P287 WeakPolarHBondContact O-CD 3.48Å
286R31.4Very low37.9Very low236 Ų236139.6 Ų139.689%0.89178%0.778SS**  trans-78.4117.2164-164.8-177.3-149.3-149.65.2106.7E288R286-E288 PolarHBondContact O-N 3.05Å; R286-E288 VanDerWaalsContact O-N 3.17Å
287P33Very low38.4Very low112 Ų112142 Ų14273%0.72778%0.776SS**  trans-74.7112.3172.7-5.722.6000107.5V285 I289V285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-I289 PolarHBondContact O-N 2.98Å
288E33.4Very low38.2Very low170 Ų170142.1 Ų142.179%0.79477%0.772SS**  trans-58.7131.1163.4-72.9-175.8158.600108.7R286 L290R286-E288 PolarHBondContact O-N 3.05Å; R286-E288 VanDerWaalsContact O-N 3.17Å; E288-L290 PolarHBondContact O-N 2.97Å
289I43.1Very low38.9Very low170 Ų170141.5 Ų141.587%0.87277%0.768SS**  trans-67.898.3174-59.9169.6000106.8P287P287-I289 PolarHBondContact O-N 2.98Å
290L32.8Very low39.4Very low155 Ų155144.1 Ų144.181%0.81277%0.769SS**  trans-106.7105.1159.3-119.586.5000108.8E288 G292E288-L290 PolarHBondContact O-N 2.97Å; L290-G292 PolarHBondContact O-N 3.1Å
291G38.5Very low39.9Very low81 Ų81144.6 Ų144.684%0.83577%0.773SS**  trans-61.4118.5166.900000109.9
292G32.7Very low40.1Very low56 Ų56143.8 Ų143.858%0.57778%0.776SS**  trans-169.8119.517200000109.4L290 L294L290-G292 PolarHBondContact O-N 3.1Å; G292-L294 PolarHBondContact O-N 3.16Å; G292-L294 VanDerWaalsContact O-N 3.13Å
293K45.4Very low40.4Very low223 Ų223144 Ų14497%0.9778%0.775SS**  trans-63.7110170.1-83.9176.9172.3177.70108.1
294L36.9Very low40.7Very low129 Ų129145.1 Ų145.168%0.67578%0.78SS**  trans-96.5129.3166-87.9115.5000110.2G292 E298G292-L294 PolarHBondContact O-N 3.16Å; G292-L294 VanDerWaalsContact O-N 3.13Å; L294-E298 WeakPolarHBondContact CD2-OE2 3.31Å
295S39.3Very low40.9Very low94 Ų94145 Ų14566%0.65778%0.78SS**  trans-75.9158.4-179.444.60000112.4E297S295-E297 PolarHBondContact O-N 2.87Å
296N50.6Low41.6Very low150 Ų150146 Ų14680%0.80279%0.786SS**THydrogen-bonded Turntrans-68.825.3-164.6-1289.6000116.7
297E49.6Very low42.3Very low176 Ų176140.8 Ų140.882%0.82278%0.78SS**THydrogen-bonded Turntrans-121-2.1-175.5-71-176.5158.200114.5S295S295-E297 PolarHBondContact O-N 2.87Å
298E42.9Very low42.8Very low148 Ų148140.9 Ų140.969%0.69278%0.781SS**SBendtrans-97-4.4174.2-67-176-179.600113.9L294 K300L294-E298 WeakPolarHBondContact CD2-OE2 3.31Å; E298-K300 PolarHBondContact O-N 3.47Å
299I48.5Very low43.2Very low145 Ų145138.9 Ų138.974%0.74478%0.781SS**THydrogen-bonded Turntrans-89.244.8175.6-42.3176.9000111.3
300K45.7Very low43.2Very low180 Ų180136.4 Ų136.478%0.78378%0.776SS**THydrogen-bonded Turntrans-124.7-3173.6-91.4-172.1178.1179.90116.6E298E298-K300 PolarHBondContact O-N 3.47Å
301N44.3Very low43.8Very low164 Ų164133.9 Ų133.988%0.87777%0.771SS**SBendtrans-124.849.9-178.4-71.2-17000113.8
302A45.4Very low43.9Very low94 Ų94135.7 Ų135.778%0.77777%0.768SS**  trans-145.953.1166.300000111.3
303I45.5Very low44.2Very low149 Ų149140.7 Ų140.776%0.76478%0.781SS**  trans-120.3110161.6-55.8173.3000105.2E305I303-E305 PolarHBondContact O-N 2.82Å
304P41.7Very low43.8Very low117 Ų117135.5 Ų135.576%0.7677%0.768SS**  trans-69.3125.4159.513.7-3.2000107.4
305E44.9Very low43.5Very low181 Ų181136.1 Ų136.185%0.84677%0.771SS**  trans-53.4138.2172.8-65.9-179.8161.700110.4I303 V307I303-E305 PolarHBondContact O-N 2.82Å; E305-V307 PolarHBondContact O-N 2.83Å
306T47.1Very low43.6Very low135 Ų135139.6 Ų139.683%0.82878%0.777SS**  trans-66.7113.5173.249.10000109.1P308T306-P308 WeakPolarHBondContact O-CD 3.43Å
307V46.4Very low42.8Very low127 Ų127140.1 Ų140.177%0.7778%0.775SS**  trans-62.9123.5168.3179.60000107.9E305 T309E305-V307 PolarHBondContact O-N 2.83Å; V307-T309 PolarHBondContact O-N 3.35Å; V307-T309 VanDerWaalsContact O-N 3.12Å
308P44.2Very low42.1Very low114 Ų114137.4 Ų137.474%0.7477%0.772SS**  trans-68.3112.4172.626.4-29.7000108.2T306 P310T306-P308 WeakPolarHBondContact O-CD 3.43Å; P308-P310 WeakPolarHBondContact O-CD 3.5Å
309T41.1Very low41.9Very low129 Ų129139.8 Ų139.879%0.79178%0.78SS**PPolyproline II helixtrans-66.6123.3165.630.90000108.3V307 S311V307-T309 PolarHBondContact O-N 3.35Å; V307-T309 VanDerWaalsContact O-N 3.12Å; T309-S311 PolarHBondContact O-N 3.46Å
310P44.3Very low41.1Very low118 Ų118140 Ų14077%0.76678%0.783SS**PPolyproline II helixtrans-62.3138.8172.525.3-30.7000108.9P308P308-P310 WeakPolarHBondContact O-CD 3.5Å
311S43.8Very low40.6Very low101 Ų101142 Ų14271%0.70679%0.787SS**PPolyproline II helixtrans-48.4132171.443.80000109.9T309 N313T309-S311 PolarHBondContact O-N 3.46Å; S311-N313 PolarHBondContact O-N 2.88Å; S311-N313 VanDerWaalsContact O-N 3.17Å
312P41.5Very low40.1Very low119 Ų119140.6 Ų140.677%0.77378%0.78SS**PPolyproline II helixtrans-59.7126.4168.7-8.221000107.1V314P312-V314 PolarHBondContact O-N 2.9Å
313N38.4Very low39.7Very low161 Ų161138.9 Ų138.986%0.86177%0.771SS**  trans-52112.7166.5-89.9-35.9000107.3S311 L315S311-N313 PolarHBondContact O-N 2.88Å; S311-N313 VanDerWaalsContact O-N 3.17Å; N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 2.69Å
314V37.9Very low39.1Very low114 Ų114140.1 Ų140.169%0.69177%0.774SS**  trans-64.498.8163.3177.80000104.9P312 H316P312-V314 PolarHBondContact O-N 2.9Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.95Å
315L31.2Very low38.6Very low143 Ų143140.3 Ų140.375%0.74977%0.772SS**  trans-66101.6157-166.777.1000104.7N313 Q317N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 2.69Å; L315-Q317 VanDerWaalsContact C-N 3.3Å; L315-Q317 HydrophobicContact CD2-CG 4.27Å; L315-Q317 PolarHBondContact O-N 3.25Å
316H40.5Very low37.8Very low166 Ų166142 Ų14277%0.76977%0.773SS**  trans-56.6102.8162.9-82.1-78.5000106.6V314V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.95Å
317Q34.3Very low37Very low162 Ų162141.5 Ų141.576%0.75777%0.769SS**  trans-79.9129.8161.1-73.4-167.8-49.100107.4L315L315-Q317 VanDerWaalsContact C-N 3.3Å; L315-Q317 HydrophobicContact CD2-CG 4.27Å; L315-Q317 PolarHBondContact O-N 3.25Å
318P35.2Very low36.2Very low118 Ų118138.5 Ų138.577%0.76676%0.764SS**  trans-63.8155.8178.8-13.127.9000110.8
319F38.3Very low35.4Very low199 Ų199139.7 Ų139.787%0.87377%0.769SS**  trans-40.8136.5162.3-74.5-105.2000111.9
320D31.5Very low34.9Very low150 Ų150139.4 Ų139.480%0.80277%0.769SS**  trans-142.8117146.5-99.3-29.7000109.6
321Y34.8Very low34.2Very low220 Ų220140.3 Ų140.386%0.86377%0.773SS**  trans-105.386.9169.7-169.5-85.5000105.6G323Y321-G323 PolarHBondContact O-N 2.79Å
322D33.9Very low33.5Very low136 Ų136144.6 Ų144.673%0.72778%0.782SS**  trans-84.3106.2172.8-78.1-32.7000109.9E324D322-E324 PolarHBondContact O-N 2.03Å
323G36.5Very low32.8Very low58 Ų58146.6 Ų146.660%0.59878%0.781SS**  trans-69.3110.7160.800000109.9Y321 V325Y321-G323 PolarHBondContact O-N 2.79Å; G323-V325 PolarHBondContact O-N 3.35Å
324E33.6Very low32.2Very low174 Ų174149.2 Ų149.281%0.81378%0.779SS**  trans-72.295.3167.4-68.8-169.1169.700109.9D322D322-E324 PolarHBondContact O-N 2.03Å
325V31.4Very low31.6Very low121 Ų121153.1 Ų153.173%0.73379%0.786SS**  trans-76.1114.3160.8178.90000107.7G323 V327G323-V325 PolarHBondContact O-N 3.35Å; V325-V327 HydrophobicContact CG1-CG2 3.96Å; V325-V327 PolarHBondContact O-N 3.41Å
326Y28.3Very low31.4Very low218 Ų218155.7 Ų155.786%0.85580%0.795SS**  trans-66.3102.2166.4-96.6-93000109.5
327V29.8Very low30.7Very low124 Ų124156 Ų15675%0.75280%0.797SS**PPolyproline II helixtrans-101.4123.5160.3-1780000107.8V325V325-V327 HydrophobicContact CG1-CG2 3.96Å; V325-V327 PolarHBondContact O-N 3.41Å
328G29.5Very low30.2Very low63 Ų63156.2 Ų156.265%0.64980%0.795SS**PPolyproline II helixtrans-64143178.300000112.2P330G328-P330 WeakPolarHBondContact O-CD 3.42Å
329T28.4Very low30.3Very low140 Ų140156.1 Ų156.186%0.85979%0.794SS**PPolyproline II helixtrans-63.3128.6169.948.30000111
330P30.7Very low30Very low122 Ų122155 Ų15579%0.79279%0.792SS**PPolyproline II helixtrans-88.3135.2160.411.17000110.2G328G328-P330 WeakPolarHBondContact O-CD 3.42Å
331T28.3Very low29.9Very low138 Ų138157.1 Ų157.185%0.84780%0.797SS**PPolyproline II helixtrans-60.7134166.238.70000111.5
332E29.2Very low29.6Very low190 Ų190156.4 Ų156.489%0.88880%0.798SS**PPolyproline II helixtrans-68.2129.1162.2-75.7-128.215800110.9
333E26.7Very low29.3Very low161 Ų161159 Ų15975%0.75281%0.806SS**  -179.4137117.7-100.3-170.3-15900112.1
334R25.6Very low28.9Very low217 Ų217165.1 Ų165.182%0.81982%0.819SS**  trans99.7113148.9-158.7173.4-62.9-104.6-6.5119.3
335K25.1Very low28.8Very low195 Ų195165.7 Ų165.785%0.84882%0.822SS**  trans-61.5139.2166.5-61.5173173.6-178.40112.9
336E26.9Very low28.6Very low198 Ų198168.7 Ų168.793%0.92583%0.828SS**  trans-147.4152.5139.7-72.6-161162.400109.8
337E26.1Very low28.7Very low173 Ų173166.7 Ų166.781%0.80883%0.826SS**  trans-97.6142.4-162.1-105.3177.9139.800115.1
338F24.8Very low28.7Very low166 Ų166170.1 Ų170.173%0.72883%0.834SS**  trans63.1157.7152.6-81.2-87.9000121.6
339P36.3Very low28.9Very low115 Ų115174.3 Ų174.375%0.74784%0.837SS**  cis-130.7176.7233.7-11.5000117.8
340E31.6Very low29Very low175 Ų175175.7 Ų175.782%0.81883%0.833SS**  trans-48.5132.1-177.2-61.3168.2157.800117.7
341E30.6Very low29.1Very low196 Ų196176.1 Ų176.192%0.91683%0.829SS**  trans-141.9121.5151.5-70.3-166.1163.500111.7
342K28.8Very low29.4Very low205 Ų205177.8 Ų177.889%0.89183%0.827SS**  trans6.6122.9164.1-60177.1-178.6176.60120
343E27.2Very low29.8Very low191 Ų191176.1 Ų176.189%0.89382%0.823SS**  trans-71.2123.8162.7-65.5173.5166.200110.4
344E28.7Very low30.3Very low186 Ų186173.6 Ų173.687%0.86982%0.815SS**  trans-99.9123.2156-72.3-176172.200106.6E346E344-E346 PolarHBondContact O-N 2.04Å
345E29.8Very low30.6Very low186 Ų186170 Ų17087%0.86982%0.82SS**  trans-72.2109.4175.1-67.3177161.100108.7
346E28.7Very low31.6Very low183 Ų183169.1 Ų169.186%0.85581%0.811SS**  trans-93.5111.9160.7-74.7-171169.900108E344 E348E344-E346 PolarHBondContact O-N 2.04Å; E346-E348 PolarHBondContact O-N 2.75Å
347E29Very low32.4Very low176 Ų176162.7 Ų162.782%0.82280%0.799SS**  trans-64.8119.4171.1-66.6-175.8157.800109.4E349E347-E349 PolarHBondContact O-N 2.95Å
348E30.7Very low33.2Very low197 Ų197157.8 Ų157.892%0.92178%0.778SS**  trans-70.496.2168.9-71.8-173.5157.300109.4E346 E350E346-E348 PolarHBondContact O-N 2.75Å; E348-E350 PolarHBondContact O-N 3.12Å
349E33.5Very low34Very low150 Ų150154.1 Ų154.170%0.70177%0.769SS**  trans-74.6112163.4-81.3-157.1157.300110.2E347 N351E347-E349 PolarHBondContact O-N 2.95Å; E349-N351 PolarHBondContact O-N 3.35Å
350E30.5Very low34Very low170 Ų170154.9 Ų154.979%0.79476%0.761SS**  trans-59.998.3173.7-139.8-177.2-167.500110.4E348 Q352E348-E350 PolarHBondContact O-N 3.12Å; E350-Q352 PolarHBondContact O-N 3.39Å
351N33.6Very low34.2Very low131 Ų131151 Ų15170%0.70175%0.745SS**  trans-68.994.3175.5-85.3-58.8000110.8E349 L353E349-N351 PolarHBondContact O-N 3.35Å; N351-L353 PolarHBondContact O-N 2.8Å
352Q33.5Very low34.6Very low173 Ų173146.2 Ų146.281%0.80873%0.733SS**  trans-68.6115.3170.3-71.4-17922.200110.7E350E350-Q352 PolarHBondContact O-N 3.39Å
353L37.9Very low35.3Very low154 Ų154144 Ų14481%0.80673%0.726SS**  trans-73.2127.1175.3-81135.9000111.7N351N351-L353 PolarHBondContact O-N 2.8Å
354N36.4Very low36Very low108 Ų108140.3 Ų140.358%0.57871%0.712SS**  trans-83155.3165.8-85.9-22.1000111.6R356 G357N354-R356 PolarHBondContact O-N 3.38Å; N354-G357 PolarHBondContact O-N 3.02Å
355P33.6Very low36.4Very low143 Ų143139.2 Ų139.293%0.92971%0.705SS**THydrogen-bonded Turntrans-62.43.7-178.7-18.730.1000116
356R45Very low36.7Very low175 Ų175138.8 Ų138.866%0.6670%0.703SS**THydrogen-bonded Turntrans-99.6-10.2-171.5-120.7-179.6172.5127.7-0.7114.2N354 D358N354-R356 PolarHBondContact O-N 3.38Å; R356-D358 PolarHBondContact O-N 2.96Å; R356-D358 VanDerWaalsContact O-N 3.12Å
357G44.3Very low37.1Very low64 Ų64135.2 Ų135.266%0.6670%0.698SS**  trans67.54-174.700000114.8N354N354-G357 PolarHBondContact O-N 3.02Å
358D43.3Very low37.8Very low69 Ų69131.9 Ų131.937%0.36969%0.689SS.*  trans-85.7124.2172.1-64.6-38000109.5R356 F360R356-D358 PolarHBondContact O-N 2.96Å; R356-D358 VanDerWaalsContact O-N 3.12Å; D358-F360 HydrophobicContact CB-CD2 3.89Å; D358-F360 HydrophobicContact CB-CE2 3.43Å; D358-F360 VanDerWaalsContact CB-CE2 3.43Å; D358-F360 HydrophobicContact CB-CZ 4.1Å
359V39.9Very low38Very low90 Ų90130 Ų13055%0.54568%0.679SS.*  trans-88.4101.7166.5-1800000106.9
360F36.4Very low38.1Very low130 Ų130126 Ų12657%0.5768%0.677SS**  trans-88.7124167.4-70-82.7000108.2D358D358-F360 HydrophobicContact CB-CD2 3.89Å; D358-F360 HydrophobicContact CB-CE2 3.43Å; D358-F360 VanDerWaalsContact CB-CE2 3.43Å; D358-F360 HydrophobicContact CB-CZ 4.1Å
361I37.4Very low38.2Very low93 Ų93123.5 Ų123.548%0.47768%0.676SS.*  trans-87.6138.9171.2-50175000106.8E363I361-E363 HydrophobicContact CG2-CB 4.4Å; I361-E363 HydrophobicContact CG2-CG 4.13Å; I361-E363 PolarHBondContact O-N 3.36Å
362S38.3Very low38.1Very low96 Ų96123.4 Ų123.467%0.67168%0.682SS**G310 helixtrans-62.4-3.9-178.843.10000115D364S362-D364 PolarHBondContact O-N 2.79Å
363E43.2Very low38.2Very low160 Ų160121.4 Ų121.475%0.74868%0.682SS**G310 helixtrans-79.8-9.6-178.1-64.9-174.6163.500114.5I361 F365I361-E363 HydrophobicContact CG2-CB 4.4Å; I361-E363 HydrophobicContact CG2-CG 4.13Å; I361-E363 PolarHBondContact O-N 3.36Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.1Å
364D42Very low37.9Very low112 Ų112122.4 Ų122.460%0.59968%0.683SS**G310 helixtrans-79.9-3.7-179.5-80.8-21.9000114.4S362S362-D364 PolarHBondContact O-N 2.79Å
365F36.8Very low37.7Very low164 Ų164123.5 Ų123.572%0.71969%0.693SS**G310 helixtrans-89.2-11.8179.6-145.7-96.9000114.5E363E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.1Å
366E36.7Very low37.6Very low176 Ų176125.1 Ų125.182%0.82269%0.685SS**SBendtrans-96.8-1.1-178.1-75.7-167.5157.700115.3
367S37.6Very low36.9Very low109 Ų109124.7 Ų124.776%0.76269%0.691SS**SBendtrans-89.8-1.6172.285.50000114.8
368V43.5Very low36.4Very low105 Ų105128.2 Ų128.264%0.63669%0.693SS**SBendtrans-93.4-16.9177.6178.80000113
369F35.4Very low36Very low158 Ų158135.4 Ų135.469%0.69372%0.717SS**SBendtrans-128.3109.4174.4-67.6-81000109.6
370G33.8Very low35.7Very low65 Ų65138 Ų13867%0.6773%0.726SS**PPolyproline II helixtrans-58.1166.2172.400000112.4
371P33.4Very low35.8Very low118 Ų118140 Ų14077%0.76674%0.737SS**PPolyproline II helixtrans-60147-169.224.3-33.8000112.2T373P371-T373 PolarHBondContact O-N 3.01Å; P371-T373 VanDerWaalsContact O-N 3.15Å
372P32.3Very low35.9Very low129 Ų129141.2 Ų141.284%0.83875%0.751SS**PPolyproline II helixtrans-61120.4176.725.2-31.8000108.9E374P372-E374 PolarHBondContact O-N 2.85Å
373T34.8Very low35.8Very low132 Ų132142.7 Ų142.781%0.8176%0.758SS**PPolyproline II helixtrans-70122.5172.423.80000108.5P371 V375P371-T373 PolarHBondContact O-N 3.01Å; P371-T373 VanDerWaalsContact O-N 3.15Å; T373-V375 PolarHBondContact O-N 2.91Å; T373-V375 VanDerWaalsContact O-N 3.12Å
374E32.6Very low35.6Very low174 Ų174144.2 Ų144.281%0.81377%0.766SS**PPolyproline II helixtrans-52.8116.3168.4-84.1-176.8153.700109.7P372 K376P372-E374 PolarHBondContact O-N 2.85Å; E374-K376 PolarHBondContact O-N 2.67Å
375V32.3Very low35.5Very low131 Ų131148.8 Ų148.879%0.79478%0.783SS**  trans-72.995.4168.8-179.80000107.4T373 E377T373-V375 PolarHBondContact O-N 2.91Å; T373-V375 VanDerWaalsContact O-N 3.12Å; V375-E377 PolarHBondContact O-N 3.08Å
376K30.8Very low35.3Very low177 Ų177144.2 Ų144.277%0.7778%0.783SS**  trans-75.9108.9158-88.1-178.3177.5172.60108E374 I378E374-K376 PolarHBondContact O-N 2.67Å; K376-I378 PolarHBondContact O-N 2.95Å; K376-I378 VanDerWaalsContact O-N 3.12Å
377E29.8Very low35Very low166 Ų166142.9 Ų142.978%0.77678%0.781SS**  trans-60.8111.3168.6-68.1-175.7168.100109.4V375V375-E377 PolarHBondContact O-N 3.08Å
378I34.3Very low35.1Very low139 Ų139145.2 Ų145.271%0.71378%0.78SS**  trans-96.1111.9168.6-54176.2000106.6K376 I380K376-I378 PolarHBondContact O-N 2.95Å; K376-I378 VanDerWaalsContact O-N 3.12Å; I378-I380 HydrophobicContact CB-CG1 4.48Å; I378-I380 HydrophobicContact CG2-CD1 4.13Å; I378-I380 HydrophobicContact CG2-CG1 3.72Å; I378-I380 PolarHBondContact O-N 2.83Å
379Y34.3Very low35.1Very low220 Ų220148.8 Ų148.886%0.86379%0.787SS**  trans-68.8117.9166.4-102.8-99.1000108.9
380I33.4Very low35.6Very low143 Ų143150.2 Ų150.273%0.73380%0.795SS**  trans-122.3114.8172.5-52.7-179.9000107.9I378I378-I380 HydrophobicContact CB-CG1 4.48Å; I378-I380 HydrophobicContact CG2-CD1 4.13Å; I378-I380 HydrophobicContact CG2-CG1 3.72Å; I378-I380 PolarHBondContact O-N 2.83Å
381E39.7Very low35.9Very low173 Ų173152.5 Ų152.581%0.80880%0.796SS**PPolyproline II helixtrans-66.5146.5170.6-67.7-176.7164.700110.8
382P38.6Very low36.1Very low119 Ų119154.5 Ų154.577%0.77380%0.799SS**PPolyproline II helixtrans-72.2136.4-175.727.8-32.7000112.2
383P36.4Very low36.3Very low126 Ų126155.7 Ų155.782%0.81880%0.799SS**PPolyproline II helixtrans-81.7143.4175.132.8-31000111.2
384Q38.4Very low36.5Very low193 Ų193155.3 Ų155.390%0.90280%0.796SS**PPolyproline II helixtrans-70.3148.3173-66.6-116.3-48.400111.7
385E41Very low36.7Very low207 Ų207154 Ų15497%0.96779%0.794SS**PPolyproline II helixtrans-46.9130.8175-93.6173.2148.600113.9
386G31.9Very low36.9Very low69 Ų69156.8 Ų156.871%0.71180%0.795SS**  trans166.9108.6161.800000115.2
387N31.4Very low37.2Very low147 Ų147157.2 Ų157.279%0.78680%0.802SS**  trans65.4103.3160.6-77.3-18.9000118.2
388Q38.1Very low37.6Very low159 Ų159155.8 Ų155.874%0.74380%0.804SS**  87.6120.385.1-108-174.32.400113.9
389K45.3Very low37.6Very low180 Ų180155 Ų15578%0.78381%0.81SS**  trans52.385.7152.7-76.5177.2168.4176.60115.8
390H44.3Very low37.4Very low187 Ų187148 Ų14887%0.86680%0.804SS**  trans-175.852.5142.9-102.2-70000111.6
391V40.7Very low37.4Very low113 Ų113153 Ų15369%0.68581%0.814SS**  trans-14646.7171.7-160.90000112.1
392L36.6Very low37.1Very low160 Ų160150 Ų15084%0.83881%0.81SS**SBendtrans-128.25.9169.5-107.2132.4000114.6
393D37.6Very low36.8Very low155 Ų155151.9 Ų151.983%0.82981%0.811SS**SBendtrans-106-3.5172.6-78.2-27.3000114.2
394T39.3Very low36.4Very low123 Ų123152 Ų15276%0.75581%0.81SS**SBendtrans-104.19.3-179-24.50000114.3
395I37.4Very low36.1Very low148 Ų148150.6 Ų150.676%0.75980%0.801SS**SBendtrans-124.655.6174-48.7179.1000109.1
396K35.8Very low35.3Very low188 Ų188147.3 Ų147.382%0.81780%0.795SS**SBendtrans-142.218171.9-106-172.4-176.11780114.6
397M36Very low35.1Very low186 Ų186152.3 Ų152.392%0.91679%0.793SS**SBendtrans-134.633179.2-89.5-170.1166.600113.8
398V39.1Very low35Very low136 Ų136151.3 Ų151.382%0.82479%0.788SS**SBendtrans-145.9131.4162.6-169.20000106.6
399C33.4Very low34.5Very low124 Ų124155.4 Ų155.484%0.83880%0.796SS**  trans83.777.3-175.9-49.30000114.8
400G31.1Very low33.8Very low71 Ų71153.2 Ų153.273%0.73279%0.793SS**  trans-70.5131.715000000109
401W32.6Very low33Very low248 Ų248151.4 Ų151.494%0.93980%0.795SS**  trans163.7145145.9-93.270.3000106.9
402P32.9Very low32.4Very low112 Ų112154.5 Ų154.573%0.72780%0.799SS**  trans-84141.5-159.331.9-33.4000114.1V404P402-V404 PolarHBondContact O-N 2.76Å
403I32.7Very low31.8Very low157 Ų157155.5 Ų155.581%0.80580%0.797SS**  trans-79.9112.1172.8-58.8168.6000109.1K405I403-K405 HydrophobicContact CG2-CG 4.44Å; I403-K405 PolarHBondContact O-N 2.77Å
404V29.5Very low31.9Very low130 Ų130153 Ų15379%0.78879%0.789SS**  trans-82.2109.1159.6178.40000107.7P402 V406P402-V404 PolarHBondContact O-N 2.76Å; V404-V406 HydrophobicContact CG1-CG2 4.46Å
405K30.5Very low31.4Very low163 Ų163152.5 Ų152.571%0.70979%0.786SS**  trans-72.3126166.1-79.2178.4174174.70109.3I403I403-K405 HydrophobicContact CG2-CG 4.44Å; I403-K405 PolarHBondContact O-N 2.77Å
406V25.7Very low31Very low138 Ų138156.3 Ų156.384%0.83679%0.791SS**  trans-130.7124.2146.7-177.90000108.3V404V404-V406 HydrophobicContact CG1-CG2 4.46Å
407Y28Very low30.6Very low174 Ų174155 Ų15568%0.68279%0.791SS**  trans-80.9156.6-179.7-103.5-102.5000112
408D28.5Very low30.5Very low125 Ų125156 Ų15667%0.66879%0.791SS**  trans73.2111.1151-64.9-26.3000120.8
409R28.4Very low30.7Very low245 Ų245155.2 Ų155.293%0.92579%0.789SS**  -167.1132.885.8-97.3-177.4-171.5-164.52.3113.3
410L29.6Very low30.4Very low135 Ų135152.7 Ų152.771%0.70778%0.783SS**  trans-53.1143.5167.4-70.3136.8000113.5
411T27.3Very low30.5Very low148 Ų148157.4 Ų157.491%0.90879%0.791SS**  -164138.4120.121.70000111.8
412F27.7Very low30.6Very low178 Ų178154 Ų15478%0.78179%0.786SS**  trans-69.4145-178.3-91.8-114.5000114.2
413F24.7Very low31Very low182 Ų182160 Ų16080%0.79881%0.81SS**  trans14.8161.3136.1-81.6-80.6000121.4
414P40.7Very low31Very low102 Ų102160.1 Ų160.166%0.66281%0.81SS**  cis-146.816714.532.9-7.8000119.7
415T27.7Very low31Very low112 Ų112161.7 Ų161.769%0.68781%0.811SS**  trans58.4130.1137.157.60000125.4
416R28.8Very low31.1Very low229 Ų229161.6 Ų161.686%0.86482%0.817SS**  trans68.3123.5136.7-71.9-177.4173-179.1-1.3119.3
417I28.8Very low31.4Very low159 Ų159163 Ų16382%0.81582%0.816SS**  170.5118.6104.9-77.5156.4000108.3
418F32.5Very low31.6Very low209 Ų209162.3 Ų162.392%0.91782%0.824SS**  trans-102.5146.4145.3-100.3-80.8000105.5
419P43.5Very low31.8Very low119 Ų119164.8 Ų164.877%0.77383%0.834SS**  -156.5178.871.538.6-16.6000117.5
420G28.2Very low32.1Very low70 Ų70159.1 Ų159.172%0.72283%0.828SS**  trans108.9106.1158.300000113.9
421L31.3Very low32.2Very low171 Ų171160.9 Ų160.990%0.89584%0.837SS**  cis77.811844.2-143.5118.7000114.8
422Q36.5Very low32.7Very low177 Ų177162 Ų16283%0.82783%0.831SS**  trans134.5127.3163.1-82.6171.2-40.600109.8
423L41.4Very low33.1Very low236 Ų236160.5 Ų160.5100%1.23684%0.836SS**  cis-145.6014.7-113.1155.4000109.7

Retrieved 423 of 423 residues in 192.5 ms (Link to these results)