A0A087YLQ5_POEFO Loading...

Platelet-derived growth factor C

AlphaFold DB , UniProt , Accession A0A087YLQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low36.2Very low228 Ų228169.8 Ų169.8100%1.12385%0.854SS**  0107.10171.3176.817100107.7
2F32.2Very low36Very low202 Ų202166.4 Ų166.489%0.88686%0.855SS**  trans161.6120.5162.4-100.2-67.7000105.5
3V34.3Very low36.6Very low128 Ų128165 Ų16578%0.77685%0.851SS**  trans-104.8116-177.5178.60000107.8I5V3-I5 HydrophobicContact CG1-CG1 4.07Å
4V37.5Very low36.9Very low139 Ų139162.4 Ų162.484%0.84285%0.852SS**  trans-90.8108.6170.8-179.20000107.6
5I40.8Very low37.6Very low136 Ų136164.2 Ų164.270%0.69785%0.854SS**  trans-79.8122.4-178.9-61.2177.5000108.9V3 T7V3-I5 HydrophobicContact CG1-CG1 4.07Å; I5-T7 HydrophobicContact CG2-CG2 4.43Å; I5-T7 PolarHBondContact O-N 3.17Å
6Q34.4Very low38.6Very low188 Ų188163.3 Ų163.388%0.87985%0.85SS**  trans-92.688-178-170.1178.920.900110.8R8Q6-R8 PolarHBondContact O-N 3.1Å
7T35.5Very low39.4Very low120 Ų120158.8 Ų158.874%0.73683%0.833SS**  trans-79113.7175.433.90000111.7I5I5-T7 HydrophobicContact CG2-CG2 4.43Å; I5-T7 PolarHBondContact O-N 3.17Å
8R34.5Very low40.3Very low243 Ų243157.3 Ų157.392%0.91783%0.825SS**  trans-72.8135.8158.5-74.3-177.5172.6-173.8-2.6109.1Q6Q6-R8 PolarHBondContact O-N 3.1Å
9V35.2Very low41.3Very low132 Ų132155.6 Ų155.680%0.882%0.816SS**  trans-119.9138.9158.3179.90000107
10Q37.4Very low42.1Very low187 Ų187155.1 Ų155.187%0.87481%0.809SS**  trans-91.5131.5-170-153.6152-67.600109.9
11L35.7Very low43Very low165 Ų165153.5 Ų153.586%0.86480%0.799SS**  trans-66.5150.5170.5-85.675.1000109.9
12C34Very low44.2Very low129 Ų129147.8 Ų147.887%0.87277%0.772SS**  trans-134.4120.3169.5-155.50000107.8
13D43.2Very low45.7Very low148 Ų148143 Ų14379%0.79176%0.755SS**  trans-69.7135.7-178.1-74.3-71.9000112.3
14C40.8Very low47.1Very low129 Ų129142 Ų14287%0.87274%0.744SS**  trans-174.540151-110.70000115.9
15Q47.7Very low48.3Very low189 Ų189140.7 Ų140.788%0.88373%0.732SS**  trans-138.768.4169.7-76-157.7-12.600114.1
16L53.8Low49.6Very low149 Ų149138.2 Ų138.278%0.7872%0.719SS**  trans-110.4-17.4166.7-119.772.1000117.7
17P52.8Low51Low88 Ų88136.1 Ų136.157%0.57171%0.708SS**Hα-helixtrans-80.4-26.9-167.830.9-35.4000115.4I19 M21P17-I19 PolarHBondContact O-N 2.62Å; P17-M21 WeakPolarHBondContact O-CG 3.44Å; P17-M21 PolarHBondContact O-N 2.81Å
18L54.2Low52Low132 Ų132135.7 Ų135.769%0.69170%0.7SS**Hα-helixtrans-65.2-39-171.4-111.276.6000113.5M21 I22L18-M21 PolarHBondContact O-N 3.45Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.22Å
19I59.4Low53Low125 Ų125128.9 Ų128.964%0.64168%0.682SS**Hα-helixtrans-72.9-36.2-171.4-59.9177.7000111.1P17 L23P17-I19 PolarHBondContact O-N 2.62Å; I19-L23 HydrophobicContact CG2-CD1 4.3Å; I19-L23 PolarHBondContact O-N 2.62Å
20Q58.7Low53.9Low145 Ų145125.1 Ų125.168%0.67866%0.664SS**Hα-helixtrans-69.2-34173.5-75.6-171.4-51.400112.7L23 L24Q20-L23 PolarHBondContact O-N 3.32Å; Q20-L24 PolarHBondContact O-N 2.74Å; Q20-L24 VanDerWaalsContact O-N 3.16Å
21M60.7Low54.4Low122 Ų122119.4 Ų119.460%0.60165%0.645SS**Hα-helixtrans-64.1-43.5176.6-75.8-100.757.200112.3P17 L18 L24 L25P17-M21 WeakPolarHBondContact O-CG 3.44Å; P17-M21 PolarHBondContact O-N 2.81Å; L18-M21 PolarHBondContact O-N 3.45Å; M21-L24 PolarHBondContact O-N 3.43Å; M21-L25 PolarHBondContact O-N 2.87Å
22I66.3Low54.9Low108 Ų108117.6 Ų117.655%0.55464%0.635SS**Hα-helixtrans-63.7-43177.4-64.4165.5000110.6L18 L24 L25 I26L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.22Å; I22-L24 PolarHBondContact O-N 3.11Å; I22-L25 PolarHBondContact O-N 2.92Å; I22-I26 PolarHBondContact O-N 3.13Å
23L63.5Low55.4Low101 Ų101118.6 Ų118.653%0.52963%0.631SS.*Hα-helixtrans-68.2-13.5177.7-89.1160.6000114.8I19 Q20 I26I19-L23 HydrophobicContact CG2-CD1 4.3Å; I19-L23 PolarHBondContact O-N 2.62Å; Q20-L23 PolarHBondContact O-N 3.32Å; L23-I26 HydrophobicContact CD2-CD1 4.39Å; L23-I26 WeakPolarHBondContact O-CD1 3Å
24L63.6Low55.3Low107 Ų107119.7 Ų119.756%0.5663%0.632SS**Hα-helixtrans-88-38.2169-82.1160.7000111.9Q20 M21 I22 I26 F27 L28Q20-L24 PolarHBondContact O-N 2.74Å; Q20-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 PolarHBondContact O-N 3.43Å; I22-L24 PolarHBondContact O-N 3.11Å; L24-I26 PolarHBondContact O-N 2.81Å; L24-F27 PolarHBondContact O-N 2.81Å; L24-L28 PolarHBondContact O-N 3.4Å
25L61.9Low55.4Low111 Ų111121.2 Ų121.258%0.58163%0.626SS**Hα-helixtrans-65.1-39.9-176.4-151.777.5000112.5M21 I22 F27 L28 L29M21-L25 PolarHBondContact O-N 2.87Å; I22-L25 PolarHBondContact O-N 2.92Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.79Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-L29 PolarHBondContact O-N 2.76Å; L25-L29 VanDerWaalsContact O-N 3.13Å
26I67.2Low54.6Low85 Ų85123.5 Ų123.544%0.43663%0.628SS.*Hα-helixtrans-70-24.6178.95356.5000113.9I22 L23 L24 A30I22-I26 PolarHBondContact O-N 3.13Å; L23-I26 HydrophobicContact CD2-CD1 4.39Å; L23-I26 WeakPolarHBondContact O-CD1 3Å; L24-I26 PolarHBondContact O-N 2.81Å; I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.22Å; I26-A30 VanDerWaalsContact O-N 3.08Å
27F63.8Low53.5Low144 Ų144119.6 Ų119.663%0.63262%0.624SS**Hα-helixtrans-76.9-35.7176.5-100.7-79.1000111.6L24 L25 S31L24-F27 PolarHBondContact O-N 2.81Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.79Å; F27-S31 PolarHBondContact O-N 3.02Å; F27-S31 PolarHBondContact O-OG 2.9Å
28L57.2Low52.4Low110 Ų110122 Ų12258%0.57664%0.637SS**Hα-helixtrans-66.2-43.6172.4-72.2165.5000111.6L24 L25 S31 L32L24-L28 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.37Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.25Å; L28-L32 PolarHBondContact O-N 3.13Å
29L55.9Low51.1Low101 Ų101124.8 Ų124.853%0.52965%0.647SS.*Hα-helixtrans-64.3-40176.6-73.8166.4000112.6L25 S31 L32 L33L25-L29 PolarHBondContact O-N 2.76Å; L25-L29 VanDerWaalsContact O-N 3.13Å; L29-S31 VanDerWaalsContact C-N 3.25Å; L29-S31 PolarHBondContact O-N 3.31Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-L33 PolarHBondContact O-N 2.85Å
30A53Low49.6Very low53 Ų53123.2 Ų123.244%0.43865%0.652SS.*Hα-helixtrans-62.6-32.4173.900000112.8I26I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.22Å; I26-A30 VanDerWaalsContact O-N 3.08Å
31S49.6Very low48Very low67 Ų67124.7 Ų124.747%0.46966%0.659SS.*Hα-helixtrans-73.9-36.4-179.9-59.50000112.9F27 L28 L29 Q34F27-S31 PolarHBondContact O-N 3.02Å; F27-S31 PolarHBondContact O-OG 2.9Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.25Å; L29-S31 VanDerWaalsContact C-N 3.25Å; L29-S31 PolarHBondContact O-N 3.31Å; S31-Q34 PolarHBondContact O-N 2.92Å
32L46.4Very low46.3Very low126 Ų126124 Ų12466%0.6667%0.667SS**Hα-helixtrans-68.4-35.6176.1-10170.2000112.5L28 L29 Q34 Q35L28-L32 PolarHBondContact O-N 3.13Å; L29-L32 PolarHBondContact O-N 2.89Å; L32-Q34 PolarHBondContact O-N 2.73Å; L32-Q34 VanDerWaalsContact O-N 3.15Å; L32-Q35 PolarHBondContact O-N 3.03Å
33L44.6Very low44.3Very low150 Ų150124 Ų12479%0.78568%0.676SS**THydrogen-bonded Turntrans-71.3-2.1179.2-70.4169.8000114.1L29L29-L33 PolarHBondContact O-N 2.85Å
34Q40.7Very low42.5Very low172 Ų172126.3 Ų126.380%0.80469%0.689SS**THydrogen-bonded Turntrans-102.311.4173.6-82.5-175-53.500114.2S31 L32S31-Q34 PolarHBondContact O-N 2.92Å; L32-Q34 PolarHBondContact O-N 2.73Å; L32-Q34 VanDerWaalsContact O-N 3.15Å
35Q42.4Very low40.9Very low160 Ų160128.1 Ų128.175%0.74870%0.704SS**SBendtrans-114.75.8179.2-75.6-165.3-39.200116.1L32L32-Q35 PolarHBondContact O-N 3.03Å
36Y30.4Very low39.3Very low237 Ų237128 Ų12893%0.92971%0.712SS**SBendtrans-129.9102.5177.1-115.2-101.3000113
37G30.8Very low37.4Very low67 Ų67133.7 Ų133.769%0.69173%0.734SS**  trans119.2130.9-173.700000110.8
38T29.3Very low35.7Very low138 Ų138135.2 Ų135.285%0.84775%0.748SS**  cis-138.5-169.812.144.60000109.9
39E28.2Very low34.4Very low192 Ų192138.6 Ų138.690%0.89776%0.761SS**  cis-141.4-79.821.7-66.1178.39800115.4
40A27.4Very low33Very low91 Ų91141.7 Ų141.775%0.75278%0.777SS**  trans-145.5-179.2-164.400000111.4
41E25.8Very low31.8Very low176 Ų176143.4 Ų143.482%0.82279%0.786SS**  cis-167.8168.526.3-159.8-175127.500111.3
42S23.6Very low30.6Very low109 Ų109145.5 Ų145.576%0.76280%0.8SS**  trans70.8149.4166.7-109.70000118.2
43S24.2Very low29.9Very low106 Ų106147.2 Ų147.274%0.74181%0.808SS**  cis-152.2168.60.548.10000113.3
44D27.3Very low29Very low150 Ų150148.3 Ų148.380%0.80281%0.807SS**  trans-8.6127.6173.4-91-59.9000122.2
45V28.8Very low28.4Very low146 Ų146148.3 Ų148.389%0.88581%0.807SS**  trans-137.7137.7137.6-178.50000109
46S28.9Very low28.5Very low108 Ų108145 Ų14576%0.75580%0.799SS**  trans-72.5140.8-164.1-470000115.7
47K26.6Very low28.8Very low204 Ų204141.7 Ų141.789%0.88780%0.797SS**  trans-72.7131.9161.1-74.7177.7177173.20110.9
48L27.9Very low28.7Very low177 Ų177141.8 Ų141.893%0.92780%0.798SS**  trans-129.7128.4150.5-99.2166.9000108.3
49Q30.5Very low28.9Very low180 Ų180142 Ų14284%0.84180%0.799SS**  trans-84.3153.7174.6-68.8-164.7-95.400110.8
50L27.2Very low29Very low167 Ų167141.7 Ų141.787%0.87480%0.798SS**  trans-125152.8141-160.656.5000109.5
51S27.5Very low29.7Very low89 Ų89144 Ų14462%0.62279%0.793SS**  trans-84.5135.8-159.850.50000114.1I53S51-I53 PolarHBondContact O-N 2.88Å
52S24.5Very low30.6Very low111 Ų111140.6 Ų140.678%0.77679%0.789SS**  trans-65.6128161.3178.80000110.2
53I31.2Very low32.2Very low161 Ų161139.1 Ų139.183%0.82678%0.775SS**  trans-108.8134.2156.5-61.4177.7000105.7S51S51-I53 PolarHBondContact O-N 2.88Å
54K26.6Very low34.1Very low174 Ų174140.5 Ų140.576%0.75777%0.77SS**  trans-132.4126.1-173.7177.8-172.4177.2-176.30109.8
55E28Very low36.9Very low172 Ų172137.9 Ų137.980%0.80475%0.753SS**  trans-159162.7151.9-95.5-57.682.600106.9
56P44.3Very low39.9Very low89 Ų89136.6 Ų136.658%0.57874%0.735SS**  -118.2-179.7-129.541.8-34.8000116.7
57N35.5Very low43Very low168 Ų168135.6 Ų135.690%0.89872%0.724SS**  trans74.866.3169.6-63.2-7000117.1
58G29.4Very low46.3Very low69 Ų69127.3 Ų127.371%0.71169%0.689SS**  trans-145.5146.4147.200000108.9Q60G58-Q60 PolarHBondContact O-N 2.74Å; G58-Q60 VanDerWaalsContact O-N 3.09Å
59V33.3Very low49.4Very low143 Ų143124.3 Ų124.387%0.86768%0.679SS**  trans-73.899.1165.6176.30000106E61V59-E61 VanDerWaalsContact C-N 3.26Å; V59-E61 PolarHBondContact O-N 3.05Å
60Q31Very low52.4Low185 Ų185116 Ų11686%0.86464%0.64SS**  trans-83.877.5-178.4-168.3172.37.500109.7G58 S62G58-Q60 PolarHBondContact O-N 2.74Å; G58-Q60 VanDerWaalsContact O-N 3.09Å; Q60-S62 PolarHBondContact O-N 3.09Å
61E41.2Very low55.4Low140 Ų140112.9 Ų112.965%0.65463%0.633SS**  trans-53.5114.1170.6-162.9160.9-89.600109.4V59 V63V59-E61 VanDerWaalsContact C-N 3.26Å; V59-E61 PolarHBondContact O-N 3.05Å; E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.88Å
62S44.3Very low58.3Low104 Ų104110.1 Ų110.173%0.72762%0.618SS**  trans-85.674.5-164.760.90000111.5Q60 Q64Q60-S62 PolarHBondContact O-N 3.09Å; S62-Q64 PolarHBondContact O-N 2.9Å
63V57.2Low61.6Low79 Ų79113.2 Ų113.248%0.47962%0.62SS.*  trans-49.5111.7174.7-1780000109.6E61 E65 M90 V92E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.88Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.83Å; V63-M90 HydrophobicContact CG1-SD 4.11Å; V63-M90 HydrophobicContact CG2-SD 3.92Å; V63-V92 HydrophobicContact CG1-CG2 3.9Å
64Q64.7Low64.6Low135 Ų135106.8 Ų106.863%0.63159%0.593SS**EExtended strand (participates in β ladder)trans-88.971.8-168.2-160.9170.68300110.7S62 K66 L91S62-Q64 PolarHBondContact O-N 2.9Å; Q64-K66 PolarHBondContact O-N 2.83Å; Q64-L91 HydrophobicContact CB-CD2 4.5Å
65E85.9Confident67.9Low95 Ų95103.7 Ų103.744%0.44458%0.583SS.*EExtended strand (participates in β ladder)trans-71.7116.6178-172.4175.5-173.800111.8V63 V92 R94V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.83Å; E65-V92 CarbonylContact C-O 3.58Å; E65-V92 WeakPolarHBondContact CA-O 3.29Å; E65-V92 HydrophobicContact CB-CB 4.37Å; E65-V92 HydrophobicContact CG-CB 4.38Å; E65-V92 HydrophobicContact CG-CG1 4.12Å; E65-R94 IonicContact OE1-CZ 3.16Å; E65-R94 IonicContact OE1-NE 2.74Å; E65-R94 PolarHBondContact OE1-NE 2.84Å; E65-R94 IonicContact OE1-NH2 2.74Å; E65-R94 PolarHBondContact OE1-NH2 2.95Å
66K92.7Very high71.2Confident118 Ų11895.8 Ų95.851%0.51355%0.546SS..EExtended strand (participates in β ladder)trans-107.8108.4177.7-169.3-177-171.4-172.10110.3Q64 L68 V92 W93 R94Q64-K66 PolarHBondContact O-N 2.83Å; K66-L68 HydrophobicContact CD-CD2 4.07Å; K66-L68 HydrophobicContact CD-CG 4.48Å; K66-L68 HydrophobicContact CG-CD2 4.14Å; K66-L68 HydrophobicContact CG-CG 4.36Å; K66-V92 PolarHBondContact N-O 2.73Å; K66-W93 WeakPolarHBondContact O-CA 3.45Å; K66-R94 PolarHBondContact O-N 2.59Å
67V94Very high73.7Confident88 Ų8895.4 Ų95.453%0.53354%0.536SS..EExtended strand (participates in β ladder)trans-76.9132171.3-170.20000109.6R94 V96V67-R94 CarbonylContact C-O 3.59Å; V67-R94 WeakPolarHBondContact CA-O 3.5Å; V67-R94 HydrophobicContact CG2-CB 4.31Å; V67-V96 HydrophobicContact CG1-CG2 3.82Å
68L94.6Very high76.6Confident29 Ų2987.4 Ų87.415%0.15249%0.493CS..EExtended strand (participates in β ladder)trans-127.7118.1-179.2-66.8177.6000110.3K66 V70 I76 R94 L95 V96 Y177K66-L68 HydrophobicContact CD-CD2 4.07Å; K66-L68 HydrophobicContact CD-CG 4.48Å; K66-L68 HydrophobicContact CG-CD2 4.14Å; K66-L68 HydrophobicContact CG-CG 4.36Å; L68-V70 PolarHBondContact O-N 2.95Å; L68-I76 HydrophobicContact CD1-CG2 3.56Å; L68-R94 PolarHBondContact N-O 2.87Å; L68-L95 HydrophobicContact CB-CD2 3.87Å; L68-L95 HydrophobicContact CD1-CD2 3.75Å; L68-L95 HydrophobicContact CG-CD2 4.35Å; L68-V96 PolarHBondContact O-N 3.02Å; L68-Y177 HydrophobicContact CD1-CE1 4.37Å
69T94.4Very high79.8Confident115 Ų11585.9 Ų85.971%0.70647%0.471SS*.EExtended strand (participates in β ladder)trans-77.9115.7176-50.20000110.4S71 V96T69-S71 PolarHBondContact O-N 2.85Å; T69-V96 CarbonylContact C-O 3.51Å; T69-V96 WeakPolarHBondContact CA-O 3.47Å
70V93.8Very high82.7Confident4 Ų484.3 Ų84.32%0.02446%0.458CS..EExtended strand (participates in β ladder)trans-88101.8-178.8-1720000109.9L68 L95 V96 A97 I103 Y177 L179L68-V70 PolarHBondContact O-N 2.95Å; V70-L95 HydrophobicContact CG2-CB 3.87Å; V70-V96 PolarHBondContact N-O 3.17Å; V70-A97 HydrophobicContact CB-CB 4.29Å; V70-I103 HydrophobicContact CG2-CD1 4.06Å; V70-I103 HydrophobicContact CG2-CG1 4.49Å; V70-Y177 HydrophobicContact CG1-CD2 3.89Å; V70-Y177 HydrophobicContact CG1-CE2 4.16Å; V70-Y177 HydrophobicContact CG2-CD2 4.04Å; V70-Y177 HydrophobicContact CG2-CE2 4.07Å; V70-L179 HydrophobicContact CB-CD2 4.25Å; V70-L179 HydrophobicContact CG1-CD2 3.65Å; V70-L179 HydrophobicContact CG1-CG 3.92Å
71S89.2Confident85.7Confident103 Ų10377.7 Ų77.772%0.7243%0.426SS*.SBendtrans-106.8-11.4176.656.40000114T69 L179T69-S71 PolarHBondContact O-N 2.85Å; S71-L179 WeakPolarHBondContact O-CD1 3.41Å
72G89.1Confident88.3Confident30 Ų3074.2 Ų74.231%0.30942%0.416SS..SBendtrans-171-143.5-176.300000110.1
73E93.5Very high90.8Very high177 Ų17775.3 Ų75.383%0.82741%0.41SS*.  trans-85154.4176.4-58-176.2146.600112.3Y177E73-Y177 CarbonylContact C-O 3.56Å; E73-Y177 WeakPolarHBondContact CA-O 2.94Å
74G94.1Very high92.5Very high25 Ų2574.6 Ų74.626%0.25841%0.405SS..EExtended strand (participates in β ladder)trans-173.4-172.3174.400000111.9H176 Y177G74-H176 WeakPolarHBondContact O-CA 2.98Å; G74-Y177 PolarHBondContact N-O 2.94Å; G74-Y177 PolarHBondContact O-N 3.3Å
75M96.5Very high94.1Very high109 Ų10968.4 Ų68.454%0.53738%0.376SS..EExtended strand (participates in β ladder)trans-147.7153.817962.4-173.1177.800112.4L175 Y177M75-L175 WeakPolarHBondContact CA-O 3.33Å; M75-Y177 VanDerWaalsContact N-CE1 3.32Å
76I97.1Very high94.5Very high7 Ų766 Ų664%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-130.3149.8165.159.1179.6000108.5L68 W93 V159 L175 Y177L68-I76 HydrophobicContact CD1-CG2 3.56Å; I76-W93 HydrophobicContact CB-CD2 4.25Å; I76-W93 HydrophobicContact CB-CG 4.36Å; I76-W93 HydrophobicContact CB-CZ2 4.48Å; I76-W93 HydrophobicContact CD1-CB 3.83Å; I76-W93 HydrophobicContact CD1-CD2 3.76Å; I76-W93 HydrophobicContact CD1-CE3 3.87Å; I76-W93 HydrophobicContact CD1-CG 3.77Å; I76-W93 HydrophobicContact CG2-CD2 4.39Å; I76-W93 HydrophobicContact CG2-CG 4Å; I76-V159 HydrophobicContact CD1-CB 3.84Å; I76-V159 HydrophobicContact CD1-CG1 3.94Å; I76-V159 HydrophobicContact CD1-CG2 3.97Å; I76-L175 HydrophobicContact CD1-CD2 4.27Å; I76-L175 HydrophobicContact CG1-CB 4.04Å; I76-L175 HydrophobicContact CG1-CD2 4.38Å; I76-L175 HydrophobicContact CG1-CG 4.5Å; I76-L175 PolarHBondContact N-O 2.89Å; I76-L175 PolarHBondContact O-N 3.35Å; I76-Y177 HydrophobicContact CG2-CD1 4.45Å; I76-Y177 HydrophobicContact CG2-CE1 4.06Å
77H97.1Very high94.6Very high80 Ų8067.2 Ų67.237%0.3737%0.37SS..EExtended strand (participates in β ladder)trans-149162.9-17555.485.3000110.9F81 F173 C174H77-F81 HydrophobicContact CB-CB 4.07Å; H77-F81 HydrophobicContact CB-CG 4.24Å; H77-F173 CarbonylContact C-O 3.56Å; H77-F173 WeakPolarHBondContact CA-O 3.26Å; H77-F173 VanDerWaalsContact CB-O 3.24Å; H77-F173 WeakPolarHBondContact CB-O 3.09Å; H77-C174 HydrophobicContact CB-CB 3.98Å
78S96.5Very high94.5Very high0 Ų068.7 Ų68.70%038%0.375CS..  trans-59.9152.3165.553.50000110.3F81 F173S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.35Å; S78-F173 PolarHBondContact N-O 2.81Å; S78-F173 PolarHBondContact OG-N 2.97Å; S78-F173 VanDerWaalsContact OG-N 3.07Å; S78-F173 PolarHBondContact OG-O 3.34Å
79P95.1Very high94.4Very high38 Ų3868.5 Ų68.525%0.24738%0.376CS..THydrogen-bonded Turntrans-58148.5173.5-15.728.5000110.3F81 P86 T89 L91P79-F81 PolarHBondContact O-N 2.96Å; P79-P86 HydrophobicContact CB-CG 3.87Å; P79-P86 HydrophobicContact CG-CG 4.15Å; P79-T89 HydrophobicContact CG-CG2 4.43Å; P79-L91 HydrophobicContact CG-CD1 3.87Å
80D94.4Very high94.5Very high109 Ų10966.7 Ų66.758%0.58336%0.36SS*.THydrogen-bonded Turntrans59.67.2178.1-52.8-50000117H83D80-H83 WeakPolarHBondContact O-CA 3.27Å; D80-H83 VanDerWaalsContact O-CB 3.27Å; D80-H83 WeakPolarHBondContact O-CB 3.26Å; D80-H83 PolarHBondContact O-N 3.02Å
81F95.3Very high94.5Very high46 Ų4667.8 Ų67.820%0.20237%0.366CS..THydrogen-bonded Turntrans-46.9132.8172.2-178.4-90.3000112.5H77 S78 P79 D108 N110 P171 F173 C174H77-F81 HydrophobicContact CB-CB 4.07Å; H77-F81 HydrophobicContact CB-CG 4.24Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.35Å; P79-F81 PolarHBondContact O-N 2.96Å; F81-D108 HydrophobicContact CZ-CB 4.42Å; F81-N110 VanDerWaalsContact CE2-O 3.31Å; F81-N110 WeakPolarHBondContact CE2-O 3.26Å; F81-N110 HydrophobicContact CZ-CB 4.13Å; F81-P171 WeakPolarHBondContact CD2-O 3.44Å; F81-P171 HydrophobicContact CE2-CB 4.34Å; F81-F173 WeakPolarHBondContact CD2-O 3.36Å; F81-C174 HydrophobicContact CD1-CB 3.9Å; F81-C174 HydrophobicContact CD2-CB 4.35Å; F81-C174 HydrophobicContact CE1-CB 3.48Å; F81-C174 VanDerWaalsContact CE1-CB 3.48Å; F81-C174 HydrophobicContact CE2-CB 3.98Å; F81-C174 HydrophobicContact CG-CB 4.32Å; F81-C174 HydrophobicContact CZ-CB 3.52Å
82P95.6Very high94.9Very high68 Ų6863.4 Ų63.444%0.44233%0.334SS..THydrogen-bonded Turncis-93.430.99.139.2-37.8000114.3P171P82-P171 CarbonylContact C-O 3.53Å; P82-P171 VanDerWaalsContact C-O 3.31Å; P82-P171 WeakPolarHBondContact CA-O 3.49Å; P82-P171 HydrophobicContact CB-CB 3.91Å; P82-P171 VanDerWaalsContact O-CA 3.31Å; P82-P171 WeakPolarHBondContact O-CA 3.14Å; P82-P171 VanDerWaalsContact O-CB 3.28Å; P82-P171 WeakPolarHBondContact O-CB 3.27Å
83H95.2Very high95.3Very high127 Ų12762.9 Ų62.959%0.58832%0.323SS*.SBendtrans-98.4175.1173.8-55.6-54.4000111.9D80 Y85D80-H83 WeakPolarHBondContact O-CA 3.27Å; D80-H83 VanDerWaalsContact O-CB 3.27Å; D80-H83 WeakPolarHBondContact O-CB 3.26Å; D80-H83 PolarHBondContact O-N 3.02Å; H83-Y85 PolarHBondContact O-N 3.04Å
84T94.8Very high95.5Very high64 Ų6457.5 Ų57.539%0.39330%0.295SS..PPolyproline II helixtrans-52.6122.3177.2-41.90000111.7P168 S169T84-P168 HydrophobicContact CG2-CB 3.87Å; T84-P168 HydrophobicContact CG2-CG 3.8Å; T84-S169 WeakPolarHBondContact CA-O 3.35Å
85Y96.6Very high95.6Very high4 Ų456.3 Ų56.32%0.01628%0.283CS..PPolyproline II helixtrans-75.5158.1179.351.3-93000112.1H83 L113 E114 D124 F161 P168 S169H83-Y85 PolarHBondContact O-N 3.04Å; Y85-L113 HydrophobicContact CD1-CD2 4.05Å; Y85-L113 HydrophobicContact CE1-CD2 3.45Å; Y85-L113 VanDerWaalsContact CE1-CD2 3.45Å; Y85-L113 WeakPolarHBondContact OH-CA 3.44Å; Y85-E114 PolarHBondContact OH-N 2.63Å; Y85-E114 VanDerWaalsContact OH-N 3.16Å; Y85-D124 HydrophobicContact CE2-CB 4.43Å; Y85-D124 WeakPolarHBondContact CE2-OD2 3.44Å; Y85-D124 PolarHBondContact OH-OD2 3.08Å; Y85-F161 HydrophobicContact CD2-CE1 4.4Å; Y85-F161 AromaticContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CE2-CZ 4.04Å; Y85-F161 AromaticContact CG-CZ 3.99Å; Y85-F161 HydrophobicContact CG-CZ 3.99Å; Y85-P168 HydrophobicContact CD2-CB 4.05Å; Y85-P168 HydrophobicContact CE2-CB 3.7Å; Y85-P168 WeakPolarHBondContact O-CB 3.36Å; Y85-S169 VanDerWaalsContact CD1-O 3.31Å; Y85-S169 WeakPolarHBondContact CD1-O 3.24Å; Y85-S169 WeakPolarHBondContact CE1-O 3.34Å; Y85-S169 VanDerWaalsContact CZ-N 3.28Å; Y85-S169 PolarHBondContact OH-N 3.02Å
86P95.1Very high95.6Very high46 Ų4653 Ų5330%0.29927%0.269SS..PPolyproline II helixtrans-65.9147.2175.6-21.533.8000113.1P79 T89 S163P79-P86 HydrophobicContact CB-CG 3.87Å; P79-P86 HydrophobicContact CG-CG 4.15Å; P86-T89 PolarHBondContact O-OG1 3.11Å; P86-S163 PolarHBondContact O-OG 2.92Å
87R94.1Very high95.4Very high142 Ų14253 Ų5354%0.53627%0.27SS..SBendtrans-75.6165.9170.5-61.5-163.4-49.6-83.50.9110.8T89 D164 E165 Y166 P168R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.88Å; R87-T89 PolarHBondContact O-OG1 3.49Å; R87-D164 WeakPolarHBondContact CA-O 3.44Å; R87-D164 VanDerWaalsContact CB-O 3.24Å; R87-D164 WeakPolarHBondContact CB-O 3.47Å; R87-E165 WeakPolarHBondContact CD-O 3.03Å; R87-E165 PolarHBondContact NE-O 3.28Å; R87-Y166 WeakPolarHBondContact CD-O 3.45Å; R87-P168 HydrophobicContact CG-CB 3.94Å; R87-P168 HydrophobicContact CG-CG 3.6Å
88D93.4Very high95.1Very high120 Ų12051.8 Ų51.864%0.64227%0.274SS*.SBendtrans48.649.1176.3-17233.2000112.3S163 D164D88-S163 WeakPolarHBondContact CA-O 3.36Å; D88-D164 PolarHBondContact N-O 2.78Å
89T92.3Very high94.3Very high25 Ų2558 Ų5815%0.15331%0.307CS..EExtended strand (participates in β ladder)trans-123.7115.8-170.5-69.70000111.4P79 P86 R87 L91 F161 I162 S163P79-T89 HydrophobicContact CG-CG2 4.43Å; P86-T89 PolarHBondContact O-OG1 3.11Å; R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.88Å; R87-T89 PolarHBondContact O-OG1 3.49Å; T89-L91 HydrophobicContact CG2-CD1 4.02Å; T89-L91 HydrophobicContact CG2-CG 3.84Å; T89-F161 HydrophobicContact CG2-CD1 4.29Å; T89-F161 HydrophobicContact CG2-CE1 4.16Å; T89-I162 CarbonylContact O-C 3.52Å; T89-I162 VanDerWaalsContact O-CA 3.31Å; T89-I162 WeakPolarHBondContact O-CA 3.32Å; T89-S163 WeakPolarHBondContact CB-OG 3.33Å; T89-S163 PolarHBondContact N-O 3.4Å; T89-S163 PolarHBondContact N-OG 2.89Å; T89-S163 VanDerWaalsContact N-OG 3.16Å; T89-S163 PolarHBondContact O-N 2.73Å
90M95.2Very high93.6Very high77 Ų7764 Ų6438%0.37934%0.337SS..EExtended strand (participates in β ladder)trans-111.4112.8172.1-172.6-179.2-53.800111.2V63 F161 I162V63-M90 HydrophobicContact CG1-SD 4.11Å; V63-M90 HydrophobicContact CG2-SD 3.92Å; M90-F161 WeakPolarHBondContact CA-O 3.48Å; M90-I162 HydrophobicContact CB-CG1 4.45Å; M90-I162 HydrophobicContact CE-CD1 4.21Å; M90-I162 HydrophobicContact CE-CG1 4.35Å; M90-I162 HydrophobicContact CG-CD1 4.5Å; M90-I162 HydrophobicContact CG-CG1 3.96Å
91L95.2Very high93.2Very high27 Ų2764 Ų6414%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-119.7136.2177-63174.6000110.4Q64 P79 T89 W93 R160 F161Q64-L91 HydrophobicContact CB-CD2 4.5Å; P79-L91 HydrophobicContact CG-CD1 3.87Å; T89-L91 HydrophobicContact CG2-CD1 4.02Å; T89-L91 HydrophobicContact CG2-CG 3.84Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CH2 3.52Å; L91-W93 HydrophobicContact CB-CZ2 3.91Å; L91-W93 HydrophobicContact CB-CZ3 3.76Å; L91-W93 HydrophobicContact CD1-CH2 3.69Å; L91-W93 HydrophobicContact CD1-CZ2 3.81Å; L91-W93 HydrophobicContact CG-CH2 4.26Å; L91-W93 HydrophobicContact CG-CZ2 4.45Å; L91-R160 WeakPolarHBondContact O-CA 3.31Å; L91-F161 HydrophobicContact CB-CB 4.46Å; L91-F161 HydrophobicContact CD1-CD1 4.38Å; L91-F161 PolarHBondContact N-O 3.27Å; L91-F161 PolarHBondContact O-N 2.82Å
92V96.9Very high93.1Very high11 Ų1167.5 Ų67.57%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-129.9124.5179-175.50000109.2V63 E65 K66 I158 V159 R160V63-V92 HydrophobicContact CG1-CG2 3.9Å; E65-V92 CarbonylContact C-O 3.58Å; E65-V92 WeakPolarHBondContact CA-O 3.29Å; E65-V92 HydrophobicContact CB-CB 4.37Å; E65-V92 HydrophobicContact CG-CB 4.38Å; E65-V92 HydrophobicContact CG-CG1 4.12Å; K66-V92 PolarHBondContact N-O 2.73Å; V92-I158 HydrophobicContact CG1-CG2 3.65Å; V92-V159 CarbonylContact C-O 3.55Å; V92-V159 WeakPolarHBondContact CA-O 3.28Å; V92-R160 HydrophobicContact CG2-CG 4.43Å
93W97.8Very high93Very high19 Ų1964.2 Ų64.27%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-114.3121.3174.8-59.8-90.6000109.8K66 I76 L91 I158 V159 F161 F173K66-W93 WeakPolarHBondContact O-CA 3.45Å; I76-W93 HydrophobicContact CB-CD2 4.25Å; I76-W93 HydrophobicContact CB-CG 4.36Å; I76-W93 HydrophobicContact CB-CZ2 4.48Å; I76-W93 HydrophobicContact CD1-CB 3.83Å; I76-W93 HydrophobicContact CD1-CD2 3.76Å; I76-W93 HydrophobicContact CD1-CE3 3.87Å; I76-W93 HydrophobicContact CD1-CG 3.77Å; I76-W93 HydrophobicContact CG2-CD2 4.39Å; I76-W93 HydrophobicContact CG2-CG 4Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CH2 3.52Å; L91-W93 HydrophobicContact CB-CZ2 3.91Å; L91-W93 HydrophobicContact CB-CZ3 3.76Å; L91-W93 HydrophobicContact CD1-CH2 3.69Å; L91-W93 HydrophobicContact CD1-CZ2 3.81Å; L91-W93 HydrophobicContact CG-CH2 4.26Å; L91-W93 HydrophobicContact CG-CZ2 4.45Å; W93-I158 WeakPolarHBondContact O-CA 3.12Å; W93-V159 HydrophobicContact CB-CB 4.49Å; W93-V159 HydrophobicContact CE3-CB 4.36Å; W93-V159 HydrophobicContact CE3-CG1 4.33Å; W93-V159 PolarHBondContact N-O 3.41Å; W93-V159 PolarHBondContact O-N 2.87Å; W93-F161 HydrophobicContact CH2-CB 4.16Å; W93-F161 HydrophobicContact CZ3-CB 3.77Å; W93-F173 AromaticContact CH2-CZ 3.88Å; W93-F173 HydrophobicContact CH2-CZ 3.88Å; W93-F173 AromaticContact CZ3-CZ 3.9Å; W93-F173 HydrophobicContact CZ3-CZ 3.9Å
94R96.8Very high93Very high63 Ų6360.8 Ų60.824%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-98.8102.4172-176.6-178.8-60.1-78.1-14.2109E65 K66 V67 L68 V96E65-R94 IonicContact OE1-CZ 3.16Å; E65-R94 IonicContact OE1-NE 2.74Å; E65-R94 PolarHBondContact OE1-NE 2.84Å; E65-R94 IonicContact OE1-NH2 2.74Å; E65-R94 PolarHBondContact OE1-NH2 2.95Å; K66-R94 PolarHBondContact O-N 2.59Å; V67-R94 CarbonylContact C-O 3.59Å; V67-R94 WeakPolarHBondContact CA-O 3.5Å; V67-R94 HydrophobicContact CG2-CB 4.31Å; L68-R94 PolarHBondContact N-O 2.87Å; R94-V96 HydrophobicContact CG-CG2 3.87Å
95L96.9Very high93.1Very high0 Ų057.8 Ų57.80%029%0.285CS..EExtended strand (participates in β ladder)trans-80127.4175-52.7-174.7000108.8L68 V70 I103 L105 Q156 V157 V159 Y177L68-L95 HydrophobicContact CB-CD2 3.87Å; L68-L95 HydrophobicContact CD1-CD2 3.75Å; L68-L95 HydrophobicContact CG-CD2 4.35Å; V70-L95 HydrophobicContact CG2-CB 3.87Å; L95-I103 HydrophobicContact CB-CD1 3.85Å; L95-I103 HydrophobicContact CD1-CG2 4.3Å; L95-L105 HydrophobicContact CD1-CD2 3.55Å; L95-Q156 VanDerWaalsContact O-CA 3.27Å; L95-Q156 WeakPolarHBondContact O-CA 3.28Å; L95-V157 HydrophobicContact CB-CB 4.47Å; L95-V157 PolarHBondContact N-O 2.9Å; L95-V157 PolarHBondContact O-N 2.76Å; L95-V159 HydrophobicContact CD1-CG2 4.31Å; L95-Y177 HydrophobicContact CD1-CD1 4.38Å; L95-Y177 HydrophobicContact CD1-CG 4.22Å; L95-Y177 HydrophobicContact CD2-CD1 4.32Å; L95-Y177 HydrophobicContact CD2-CE1 4.37Å
96V95.8Very high93.1Very high39 Ų3960.3 Ų60.324%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-130.9105.6-177.5-173.80000109.7V67 L68 T69 V70 R94 Q156V67-V96 HydrophobicContact CG1-CG2 3.82Å; L68-V96 PolarHBondContact O-N 3.02Å; T69-V96 CarbonylContact C-O 3.51Å; T69-V96 WeakPolarHBondContact CA-O 3.47Å; V70-V96 PolarHBondContact N-O 3.17Å; R94-V96 HydrophobicContact CG-CG2 3.87Å; V96-Q156 HydrophobicContact CB-CG 4.47Å; V96-Q156 HydrophobicContact CG1-CG 4.15Å; V96-Q156 HydrophobicContact CG2-CG 4.21Å
97A93.9Very high93.1Very high7 Ų758.7 Ų58.76%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-82.7169.4170.600000111.4V70 R101 I103 S155 L179V70-A97 HydrophobicContact CB-CB 4.29Å; A97-R101 HydrophobicContact CB-CB 4.19Å; A97-I103 HydrophobicContact CB-CD1 4.05Å; A97-I103 HydrophobicContact CB-CG1 3.85Å; A97-S155 PolarHBondContact N-O 2.88Å; A97-L179 HydrophobicContact CB-CD2 3.65Å
98A90.1Very high93.2Very high55 Ų5553.9 Ų53.946%0.45527%0.274SS..PPolyproline II helixtrans-65.3152.7166.300000111.4R101A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.83Å; A98-R101 VanDerWaalsContact O-N 3.1Å
99D79.4Confident93.2Very high131 Ų13156.4 Ų56.470%0.70128%0.282SS*.THydrogen-bonded Turntrans-54.5145.1-179.6-61-42.6000112.8R101D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 VanDerWaalsContact O-N 3.17Å
100N81.3Confident93.1Very high163 Ų16359.7 Ų59.787%0.87230%0.299SS*.THydrogen-bonded Turntrans60.510.4-173.6-51.1-54.1000115.6
101R85.8Confident93.1Very high110 Ų11056.6 Ų56.642%0.41528%0.283SS..  trans-99.7151.1163-57.5-168.9174.7-173.9-6110.2A97 A98 D99 S155 L179 V182A97-R101 HydrophobicContact CB-CB 4.19Å; A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.83Å; A98-R101 VanDerWaalsContact O-N 3.1Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 VanDerWaalsContact O-N 3.17Å; R101-S155 VanDerWaalsContact O-CA 3.26Å; R101-S155 WeakPolarHBondContact O-CA 3.34Å; R101-S155 WeakPolarHBondContact O-CB 3.37Å; R101-L179 HydrophobicContact CB-CD2 4.16Å; R101-V182 HydrophobicContact CG-CG2 4.43Å
102R92Very high93.2Very high119 Ų11955.3 Ų55.345%0.44928%0.277SS..  trans-117.5156.3175.1-64.4-177.3-66.3157.2-3.1109.4S152 T153 L180R102-S152 WeakPolarHBondContact CD-O 3.4Å; R102-T153 VanDerWaalsContact CD-O 3.26Å; R102-T153 WeakPolarHBondContact CD-O 3.34Å; R102-L180 HydrophobicContact CB-CB 4.36Å; R102-L180 HydrophobicContact CB-CD1 3.75Å; R102-L180 PolarHBondContact O-N 2.86Å
103I94.4Very high93.2Very high0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-109131-173.8-58166.9000108V70 L95 A97 L105 K151 S152 V157 S178V70-I103 HydrophobicContact CG2-CD1 4.06Å; V70-I103 HydrophobicContact CG2-CG1 4.49Å; L95-I103 HydrophobicContact CB-CD1 3.85Å; L95-I103 HydrophobicContact CD1-CG2 4.3Å; A97-I103 HydrophobicContact CB-CD1 4.05Å; A97-I103 HydrophobicContact CB-CG1 3.85Å; I103-L105 HydrophobicContact CG2-CD2 4.24Å; I103-L105 HydrophobicContact CG2-CG 4.21Å; I103-K151 WeakPolarHBondContact O-CA 3.36Å; I103-S152 PolarHBondContact N-OG 2.92Å; I103-S152 PolarHBondContact O-N 3.01Å; I103-V157 HydrophobicContact CB-CG2 4.39Å; I103-V157 HydrophobicContact CD1-CG2 4.31Å; I103-S178 CarbonylContact C-O 3.51Å; I103-S178 WeakPolarHBondContact CA-O 3.34Å
104Q95.3Very high93.1Very high54 Ų5455.6 Ų55.625%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-98145.1166.1-174.8169.2-5.500109.5S149 K151 Y177 S178 L180Q104-S149 WeakPolarHBondContact CG-OG 3.27Å; Q104-S149 PolarHBondContact NE2-OG 2.8Å; Q104-K151 HydrophobicContact CG-CG 4.44Å; Q104-Y177 VanDerWaalsContact O-CA 3.31Å; Q104-Y177 WeakPolarHBondContact O-CA 3.49Å; Q104-S178 PolarHBondContact N-O 3.02Å; Q104-S178 PolarHBondContact O-N 3.39Å; Q104-L180 HydrophobicContact CB-CD2 3.85Å; Q104-L180 HydrophobicContact CB-CG 3.94Å; Q104-L180 HydrophobicContact CG-CD2 4.44Å
105L96.5Very high93Very high1 Ų156.5 Ų56.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-131.9130.3-177.5-67.8166.5000109.1L95 I103 I128 S149 Q150 V157 L175 H176L95-L105 HydrophobicContact CD1-CD2 3.55Å; I103-L105 HydrophobicContact CG2-CD2 4.24Å; I103-L105 HydrophobicContact CG2-CG 4.21Å; L105-I128 HydrophobicContact CD1-CD1 4.25Å; L105-I128 HydrophobicContact CD1-CG2 3.95Å; L105-S149 CarbonylContact O-C 3.31Å; L105-S149 WeakPolarHBondContact O-CA 3.2Å; L105-S149 WeakPolarHBondContact O-CB 3.45Å; L105-S149 PolarHBondContact O-OG 3.34Å; L105-Q150 HydrophobicContact CB-CB 4.23Å; L105-Q150 PolarHBondContact N-O 3.38Å; L105-Q150 PolarHBondContact O-N 2.98Å; L105-V157 HydrophobicContact CD1-CB 4.31Å; L105-V157 HydrophobicContact CD1-CG1 3.77Å; L105-V157 HydrophobicContact CD1-CG2 4.2Å; L105-L175 HydrophobicContact CB-CD1 4.09Å; L105-L175 HydrophobicContact CD2-CD2 4.14Å; L105-L175 HydrophobicContact CD2-CG 4.2Å; L105-H176 CarbonylContact C-O 3.52Å; L105-H176 WeakPolarHBondContact CA-O 3.43Å
106T95.8Very high92.8Very high58 Ų5859 Ų5936%0.35630%0.303SS..EExtended strand (participates in β ladder)trans-141.4118.9-176.1-54.30000109.7S149 H176T106-S149 PolarHBondContact OG1-OG 2.88Å; T106-H176 PolarHBondContact N-O 2.84Å; T106-H176 PolarHBondContact O-N 3.38Å
107F96.5Very high92.5Very high12 Ų1261 Ų615%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-68.6147.1175.8-72.5-86.5000110.9F111 V126 I128 W140 V146 P147 F173 C174 L175F107-F111 AromaticContact CD1-CD2 3.85Å; F107-F111 HydrophobicContact CD1-CD2 3.85Å; F107-F111 AromaticContact CD1-CE2 4Å; F107-F111 HydrophobicContact CD1-CE2 4Å; F107-F111 HydrophobicContact CE1-CD2 4.36Å; F107-F111 HydrophobicContact CE1-CE2 4.04Å; F107-F111 HydrophobicContact CG-CD2 4.45Å; F107-V126 HydrophobicContact CE1-CG1 3.71Å; F107-V126 HydrophobicContact CE1-CG2 4.28Å; F107-V126 HydrophobicContact CZ-CG1 3.78Å; F107-V126 HydrophobicContact CZ-CG2 4.27Å; F107-I128 HydrophobicContact CE2-CD1 3.91Å; F107-I128 HydrophobicContact CZ-CD1 3.95Å; F107-W140 HydrophobicContact CE2-CE3 4.23Å; F107-W140 HydrophobicContact CE2-CZ3 4.42Å; F107-W140 HydrophobicContact CZ-CE3 4.19Å; F107-V146 HydrophobicContact CB-CG1 3.88Å; F107-P147 HydrophobicContact CD2-CB 3.56Å; F107-P147 HydrophobicContact CD2-CG 3.89Å; F107-P147 HydrophobicContact CE2-CB 3.79Å; F107-P147 HydrophobicContact CE2-CG 4.09Å; F107-P147 HydrophobicContact CG-CB 4.25Å; F107-P147 HydrophobicContact CG-CG 4.14Å; F107-F173 HydrophobicContact CD1-CB 4.42Å; F107-F173 HydrophobicContact CD1-CD2 4.27Å; F107-F173 HydrophobicContact CE1-CB 4.5Å; F107-F173 AromaticContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CG 4.46Å; F107-C174 WeakPolarHBondContact CA-O 3.14Å; F107-L175 HydrophobicContact CD1-CB 4.24Å; F107-L175 HydrophobicContact CD1-CD1 3.89Å; F107-L175 HydrophobicContact CD2-CD1 3.72Å; F107-L175 HydrophobicContact CE1-CB 4.18Å; F107-L175 HydrophobicContact CE1-CD1 3.92Å; F107-L175 HydrophobicContact CE1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CG 4.37Å; F107-L175 HydrophobicContact CE2-CD1 3.78Å; F107-L175 HydrophobicContact CG-CD1 3.8Å; F107-L175 HydrophobicContact CZ-CD1 3.88Å; F107-L175 HydrophobicContact CZ-CD2 4.17Å
108D94.9Very high92.3Very high40 Ų4068.4 Ų68.421%0.21435%0.349CS..  trans-65.9153169.2-167.5-86.9000110.8F81 N110 V146 C174 H176F81-D108 HydrophobicContact CZ-CB 4.42Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 WeakPolarHBondContact OD1-CB 3.43Å; D108-N110 PolarHBondContact OD1-N 2.85Å; D108-N110 PolarHBondContact OD1-ND2 2.88Å; D108-V146 WeakPolarHBondContact O-CG1 3.42Å; D108-C174 HydrophobicContact CB-CB 3.84Å; D108-C174 PolarHBondContact N-O 3.49Å; D108-H176 IonicContact OD2-CE1 3.21Å
109E93.4Very high92.1Very high173 Ų17368.9 Ų68.981%0.80836%0.36SS*.SBendtrans-61.9-25.3178.3-64-171.6160.800112.4F111 V146E109-F111 VanDerWaalsContact C-N 3.35Å; E109-F111 PolarHBondContact O-N 2.95Å; E109-F111 VanDerWaalsContact O-N 3.13Å; E109-V146 VanDerWaalsContact O-CG2 3.31Å; E109-V146 WeakPolarHBondContact O-CG2 3.07Å
110N90.7Very high92.5Very high94 Ų9468 Ų6850%0.50335%0.353SS..  trans-85.673.9175.8-56.2-86.2000109.8F81 D108 P171F81-N110 VanDerWaalsContact CE2-O 3.31Å; F81-N110 WeakPolarHBondContact CE2-O 3.26Å; F81-N110 HydrophobicContact CZ-CB 4.13Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 WeakPolarHBondContact OD1-CB 3.43Å; D108-N110 PolarHBondContact OD1-N 2.85Å; D108-N110 PolarHBondContact OD1-ND2 2.88Å; N110-P171 HydrophobicContact CB-CB 4.4Å; N110-P171 HydrophobicContact CB-CG 3.89Å; N110-P171 VanDerWaalsContact O-CG 3.3Å; N110-P171 WeakPolarHBondContact O-CG 3.49Å
111F96.7Very high93.1Very high13 Ų1361.1 Ų61.16%0.05732%0.318CS..  trans-108.1127.2174.9-176.7-90.4000111.5F107 E109 L113 V126 W140 G142 V146 P147 F173F107-F111 AromaticContact CD1-CD2 3.85Å; F107-F111 HydrophobicContact CD1-CD2 3.85Å; F107-F111 AromaticContact CD1-CE2 4Å; F107-F111 HydrophobicContact CD1-CE2 4Å; F107-F111 HydrophobicContact CE1-CD2 4.36Å; F107-F111 HydrophobicContact CE1-CE2 4.04Å; F107-F111 HydrophobicContact CG-CD2 4.45Å; E109-F111 VanDerWaalsContact C-N 3.35Å; E109-F111 PolarHBondContact O-N 2.95Å; E109-F111 VanDerWaalsContact O-N 3.13Å; F111-L113 HydrophobicContact CE2-CD1 4.47Å; F111-L113 HydrophobicContact CE2-CG 4.47Å; F111-L113 HydrophobicContact CZ-CD1 4.08Å; F111-L113 HydrophobicContact CZ-CG 4.09Å; F111-V126 HydrophobicContact CE2-CG1 3.87Å; F111-V126 HydrophobicContact CZ-CG1 4.14Å; F111-W140 HydrophobicContact CZ-CB 3.99Å; F111-G142 WeakPolarHBondContact CE1-O 3.41Å; F111-V146 HydrophobicContact CB-CG1 4.35Å; F111-V146 HydrophobicContact CB-CG2 4.3Å; F111-P147 HydrophobicContact CD1-CG 4.39Å; F111-P147 HydrophobicContact CD2-CG 4.28Å; F111-P147 HydrophobicContact CE1-CG 4.17Å; F111-P147 HydrophobicContact CE2-CG 4.06Å; F111-P147 HydrophobicContact CG-CG 4.44Å; F111-P147 HydrophobicContact CZ-CG 4.01Å; F111-F173 HydrophobicContact CD2-CB 3.7Å; F111-F173 HydrophobicContact CE2-CB 3.78Å
112G96.1Very high93.4Very high0 Ų060.8 Ų60.80%032%0.32CS..BIsolated β-bridgetrans-164.8110.2173.900000113.1G142 G172G112-G142 WeakPolarHBondContact CA-O 3.17Å; G112-G172 PolarHBondContact N-O 3.35Å; G112-G172 WeakPolarHBondContact O-CA 3.05Å; G112-G172 PolarHBondContact O-N 3.34Å
113L97.3Very high93.5Very high1 Ų158 Ų581%0.00531%0.31CS..  trans-110.8-175.8167.1-55.8-177.8000109.7Y85 F111 D124 V126 C141 G142 F161 S169 F173Y85-L113 HydrophobicContact CD1-CD2 4.05Å; Y85-L113 HydrophobicContact CE1-CD2 3.45Å; Y85-L113 VanDerWaalsContact CE1-CD2 3.45Å; Y85-L113 WeakPolarHBondContact OH-CA 3.44Å; F111-L113 HydrophobicContact CE2-CD1 4.47Å; F111-L113 HydrophobicContact CE2-CG 4.47Å; F111-L113 HydrophobicContact CZ-CD1 4.08Å; F111-L113 HydrophobicContact CZ-CG 4.09Å; L113-D124 HydrophobicContact CB-CB 4.35Å; L113-V126 HydrophobicContact CD1-CB 4.43Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; L113-C141 HydrophobicContact CB-CB 4.43Å; L113-G142 PolarHBondContact N-O 2.71Å; L113-G142 CarbonylContact O-C 3.6Å; L113-G142 WeakPolarHBondContact O-CA 3.36Å; L113-F161 HydrophobicContact CD1-CD2 4.49Å; L113-F161 HydrophobicContact CD1-CE2 4.12Å; L113-F161 HydrophobicContact CD2-CE2 3.83Å; L113-F161 HydrophobicContact CD2-CZ 4.5Å; L113-S169 WeakPolarHBondContact O-CB 3.38Å; L113-S169 PolarHBondContact O-OG 3.48Å; L113-F173 HydrophobicContact CD2-CD1 4.48Å
114E96.1Very high93.6Very high35 Ų3558.1 Ų58.116%0.16431%0.31CS..PPolyproline II helixtrans-60143.1171.9-164.8-173.3-17200111.1Y85 Y123 D124 C141 G142 F167Y85-E114 PolarHBondContact OH-N 2.63Å; Y85-E114 VanDerWaalsContact OH-N 3.16Å; E114-Y123 WeakPolarHBondContact OE2-CB 3.24Å; E114-D124 HydrophobicContact CB-CB 3.95Å; E114-C141 WeakPolarHBondContact O-CB 3.42Å; E114-G142 WeakPolarHBondContact O-CA 3.4Å; E114-G142 PolarHBondContact O-N 3.09Å; E114-F167 HydrophobicContact CG-CB 4.34Å; E114-F167 WeakPolarHBondContact OE1-CB 3.4Å
115D94.1Very high93.7Very high82 Ų8256.1 Ų56.144%0.43930%0.301SS..PPolyproline II helixtrans-70147.8-178.3-83.8-40.5000113.3G142 S143D115-G142 VanDerWaalsContact OD1-CA 3.23Å; D115-G142 WeakPolarHBondContact OD1-CA 3.31Å; D115-S143 PolarHBondContact OD1-N 3.21Å
116P93.2Very high93.8Very high51 Ų5156.1 Ų56.133%0.33130%0.301SS..PPolyproline II helixtrans-69.6137.7-175.825-33.6000114.5
117E89.1Confident93.9Very high81 Ų8153.8 Ų53.838%0.37929%0.286SS..BIsolated β-bridgetrans-82.3127.5167.8-176.6177-92.100110.4G119 I120 K122 Y123E117-G119 PolarHBondContact O-N 3.19Å; E117-I120 PolarHBondContact N-O 2.96Å; E117-I120 WeakPolarHBondContact O-CB 3.35Å; E117-I120 PolarHBondContact O-N 2.96Å; E117-K122 HydrophobicContact CB-CD 4.43Å; E117-K122 IonicContact OE1-NZ 3.72Å; E117-K122 VanDerWaalsContact OE2-CD 3.26Å; E117-K122 WeakPolarHBondContact OE2-CD 3.34Å; E117-K122 WeakPolarHBondContact OE2-CE 3.43Å; E117-K122 IonicContact OE2-NZ 3.63Å; E117-K122 PolarHBondContact OE2-NZ 3.21Å; E117-Y123 HydrophobicContact CB-CE2 3.88Å; E117-Y123 PolarHBondContact OE1-OH 3.49Å
118D88.8Confident93.9Very high163 Ų16353.2 Ų53.287%0.87228%0.283SS*.THydrogen-bonded Turntrans50.124.1-176.9-74.4-32.1000114.8
119G86.7Confident93.9Very high66 Ų6653.4 Ų53.468%0.6828%0.283SS*.THydrogen-bonded Turntrans83.315.9-17600000114.8E117E117-G119 PolarHBondContact O-N 3.19Å
120I88.3Confident93.8Very high111 Ų11145.1 Ų45.157%0.56924%0.244SC*.BIsolated β-bridgetrans-117.6128.6-179-57175.8000110.3E117 K122E117-I120 PolarHBondContact N-O 2.96Å; E117-I120 WeakPolarHBondContact O-CB 3.35Å; E117-I120 PolarHBondContact O-N 2.96Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 HydrophobicContact CG2-CB 4.44Å; I120-K122 PolarHBondContact O-N 3.48Å
121C92.7Very high93.8Very high19 Ų1942.3 Ų42.313%0.12823%0.231CC..  trans-74.386.7170.4-610000110.6F125 R139 W140 C141C121-F125 HydrophobicContact CB-CB 3.96Å; C121-R139 HydrophobicContact CB-CG 3.98Å; C121-R139 VanDerWaalsContact O-CD 3.32Å; C121-R139 WeakPolarHBondContact O-CD 3.42Å; C121-R139 PolarHBondContact O-NH1 2.98Å; C121-W140 VanDerWaalsContact SG-C 3.58Å; C121-C141 WeakPolarHBondContact CA-SG 3.25Å; C121-C141 HydrophobicContact CB-CB 3.64Å; C121-C141 WeakPolarHBondContact CB-SG 3.4Å; C121-C141 WeakPolarHBondContact SG-CB 3.14Å; C121-C141 PolarHBondContact SG-N 2.81Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 3.46Å
122K92.6Very high93.1Very high103 Ų10345.4 Ų45.445%0.44825%0.251SS..  trans-102.4-40.3-169.9175.6-166.7168.3-160.30113.1E117 I120E117-K122 HydrophobicContact CB-CD 4.43Å; E117-K122 IonicContact OE1-NZ 3.72Å; E117-K122 VanDerWaalsContact OE2-CD 3.26Å; E117-K122 WeakPolarHBondContact OE2-CD 3.34Å; E117-K122 WeakPolarHBondContact OE2-CE 3.43Å; E117-K122 IonicContact OE2-NZ 3.63Å; E117-K122 PolarHBondContact OE2-NZ 3.21Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 HydrophobicContact CG2-CB 4.44Å; I120-K122 PolarHBondContact O-N 3.48Å
123Y93.7Very high92.4Very high61 Ų6150.8 Ų50.824%0.23928%0.276CS..SBendtrans-90-105.1-177.5-54.7-62.2000109E114 E117 F125 D164E114-Y123 WeakPolarHBondContact OE2-CB 3.24Å; E117-Y123 HydrophobicContact CB-CE2 3.88Å; E117-Y123 PolarHBondContact OE1-OH 3.49Å; Y123-F125 VanDerWaalsContact O-CD1 3.25Å; Y123-F125 WeakPolarHBondContact O-CD1 3.4Å; Y123-D164 WeakPolarHBondContact CD1-OD2 3.44Å
124D97.2Very high91.8Very high2 Ų259.2 Ų59.21%0.01131%0.313CS..SBendtrans-73.9132.9172.7-61.6-16.5000112.1Y85 L113 E114 C141 I162 S163 D164Y85-D124 HydrophobicContact CE2-CB 4.43Å; Y85-D124 WeakPolarHBondContact CE2-OD2 3.44Å; Y85-D124 PolarHBondContact OH-OD2 3.08Å; L113-D124 HydrophobicContact CB-CB 4.35Å; E114-D124 HydrophobicContact CB-CB 3.95Å; D124-C141 WeakPolarHBondContact O-CB 3.43Å; D124-I162 WeakPolarHBondContact CA-O 3.36Å; D124-S163 WeakPolarHBondContact OD1-CA 3.34Å; D124-S163 WeakPolarHBondContact OD1-CB 3.25Å; D124-D164 PolarHBondContact OD1-N 3.43Å
125F97.7Very high91.4Very high13 Ų1360.5 Ų60.56%0.05732%0.323CS..EExtended strand (participates in β ladder)trans-158.4155.6173.760.9-92.9000114.7C121 Y123 E127 R139 W140 F161 I162C121-F125 HydrophobicContact CB-CB 3.96Å; Y123-F125 VanDerWaalsContact O-CD1 3.25Å; Y123-F125 WeakPolarHBondContact O-CD1 3.4Å; F125-E127 HydrophobicContact CD2-CB 4.03Å; F125-E127 HydrophobicContact CE2-CB 4.17Å; F125-R139 HydrophobicContact CB-CG 3.77Å; F125-R139 HydrophobicContact CD2-CG 3.63Å; F125-R139 VanDerWaalsContact CE1-NH1 3.32Å; F125-R139 HydrophobicContact CE2-CG 4.42Å; F125-R139 VanDerWaalsContact CE2-CZ 3.43Å; F125-R139 HydrophobicContact CG-CG 3.83Å; F125-R139 VanDerWaalsContact CZ-CZ 3.44Å; F125-R139 VanDerWaalsContact CZ-NH1 3.28Å; F125-W140 WeakPolarHBondContact CA-O 3.39Å; F125-F161 WeakPolarHBondContact O-CA 3.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.45Å; F125-I162 HydrophobicContact CE1-CB 4.12Å; F125-I162 HydrophobicContact CE1-CD1 4.46Å; F125-I162 HydrophobicContact CE1-CG2 4.08Å; F125-I162 HydrophobicContact CE2-CB 4.23Å; F125-I162 HydrophobicContact CE2-CD1 3.97Å; F125-I162 HydrophobicContact CE2-CG1 4.47Å; F125-I162 HydrophobicContact CZ-CB 3.95Å; F125-I162 HydrophobicContact CZ-CD1 3.61Å; F125-I162 HydrophobicContact CZ-CG1 4.29Å; F125-I162 HydrophobicContact CZ-CG2 4.26Å; F125-I162 PolarHBondContact N-O 3.43Å; F125-I162 PolarHBondContact O-N 3.24Å
126V97.9Very high91.2Very high0 Ų061.2 Ų61.20%033%0.326CS..EExtended strand (participates in β ladder)trans-108.8135.2160.662.60000109.7F107 F111 L113 R139 W140 V159 R160 F161 F173F107-V126 HydrophobicContact CE1-CG1 3.71Å; F107-V126 HydrophobicContact CE1-CG2 4.28Å; F107-V126 HydrophobicContact CZ-CG1 3.78Å; F107-V126 HydrophobicContact CZ-CG2 4.27Å; F111-V126 HydrophobicContact CE2-CG1 3.87Å; F111-V126 HydrophobicContact CZ-CG1 4.14Å; L113-V126 HydrophobicContact CD1-CB 4.43Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; V126-R139 CarbonylContact O-C 3.57Å; V126-R139 WeakPolarHBondContact O-CA 3.43Å; V126-W140 HydrophobicContact CG1-CB 4.29Å; V126-W140 HydrophobicContact CG1-CE3 4.48Å; V126-W140 PolarHBondContact N-O 2.86Å; V126-W140 PolarHBondContact O-N 2.93Å; V126-V159 HydrophobicContact CG2-CG1 3.89Å; V126-R160 CarbonylContact C-O 3.52Å; V126-R160 WeakPolarHBondContact CA-O 3.28Å; V126-F161 HydrophobicContact CB-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CE1 4.47Å; V126-F173 HydrophobicContact CG2-CE2 4.15Å; V126-F173 HydrophobicContact CG2-CZ 4.15Å
127E97.3Very high91.1Very high9 Ų960.1 Ų60.14%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-128.4141.8-176.8179.9172.677.600110F125 I136 G138 R139 V159 R160F125-E127 HydrophobicContact CD2-CB 4.03Å; F125-E127 HydrophobicContact CE2-CB 4.17Å; E127-I136 HydrophobicContact CG-CG2 3.9Å; E127-G138 WeakPolarHBondContact CA-O 3.22Å; E127-R139 HydrophobicContact CB-CB 4.34Å; E127-R139 HydrophobicContact CB-CG 4.25Å; E127-R139 HydrophobicContact CG-CB 4.36Å; E127-R139 IonicContact OE1-NH2 3.21Å; E127-R139 IonicContact OE2-CZ 3.14Å; E127-R139 IonicContact OE2-NE 2.88Å; E127-R139 PolarHBondContact OE2-NE 2.99Å; E127-R139 IonicContact OE2-NH2 3.09Å; E127-R139 PolarHBondContact OE2-NH2 2.97Å; E127-V159 CarbonylContact O-C 3.56Å; E127-V159 WeakPolarHBondContact O-CA 3.36Å; E127-R160 HydrophobicContact CB-CB 4.37Å; E127-R160 PolarHBondContact N-O 3.43Å; E127-R160 PolarHBondContact O-N 3.26Å; E127-R160 IonicContact OE1-CZ 3.57Å; E127-R160 IonicContact OE1-NH1 2.73Å; E127-R160 PolarHBondContact OE1-NH1 2.95Å
128I97.2Very high91.3Very high0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-124.1128.7178.9-63172.9000108.7L105 F107 I136 L137 G138 W140 Q150 V157 V159 L175L105-I128 HydrophobicContact CD1-CD1 4.25Å; L105-I128 HydrophobicContact CD1-CG2 3.95Å; F107-I128 HydrophobicContact CE2-CD1 3.91Å; F107-I128 HydrophobicContact CZ-CD1 3.95Å; I128-I136 CarbonylContact O-C 3.55Å; I128-L137 HydrophobicContact CG2-CB 4.29Å; I128-L137 HydrophobicContact CG2-CD1 3.95Å; I128-L137 HydrophobicContact CG2-CG 4.36Å; I128-L137 PolarHBondContact O-N 2.96Å; I128-G138 PolarHBondContact N-O 2.98Å; I128-G138 PolarHBondContact O-N 3.49Å; I128-W140 HydrophobicContact CB-CH2 4.17Å; I128-W140 HydrophobicContact CB-CZ3 3.83Å; I128-W140 HydrophobicContact CD1-CH2 4.06Å; I128-W140 HydrophobicContact CD1-CZ3 3.63Å; I128-W140 HydrophobicContact CG1-CH2 4.34Å; I128-W140 HydrophobicContact CG1-CZ3 3.68Å; I128-Q150 HydrophobicContact CD1-CG 4.11Å; I128-V157 HydrophobicContact CG2-CG1 3.46Å; I128-V157 VanDerWaalsContact CG2-CG1 3.46Å; I128-V159 HydrophobicContact CG1-CG1 4.15Å; I128-V159 HydrophobicContact CG1-CG2 4.21Å; I128-L175 HydrophobicContact CD1-CD2 3.97Å
129E95.1Very high91.6Very high44 Ų4454.1 Ų54.121%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-130127.5-172.7177.2-168.4153.900110.2P131 T135 I158 R160E129-P131 WeakPolarHBondContact O-CD 3.3Å; E129-T135 WeakPolarHBondContact CA-O 3.5Å; E129-I158 HydrophobicContact CB-CB 4.3Å; E129-I158 PolarHBondContact N-O 3.27Å; E129-I158 PolarHBondContact O-N 3.46Å; E129-R160 IonicContact OE2-CZ 2.64Å; E129-R160 VanDerWaalsContact OE2-CZ 3.26Å; E129-R160 IonicContact OE2-NH1 2.82Å; E129-R160 PolarHBondContact OE2-NH1 3.1Å; E129-R160 IonicContact OE2-NH2 2.73Å; E129-R160 PolarHBondContact OE2-NH2 2.04Å
130D92.2Very high92.1Very high0 Ų053 Ų530%026%0.259CS..EExtended strand (participates in β ladder)trans-93.2110.4170.9-167.9-44.1000109.5T132 K134 T135 L137 T153 G154D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CA 3.49Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.01Å; D130-T132 PolarHBondContact OD1-OG1 3.29Å; D130-K134 VanDerWaalsContact O-CA 3.29Å; D130-K134 WeakPolarHBondContact O-CA 3.35Å; D130-K134 PolarHBondContact O-N 2.97Å; D130-T135 PolarHBondContact N-O 3.21Å; D130-T135 PolarHBondContact O-N 3.37Å; D130-L137 HydrophobicContact CB-CD1 4.48Å; D130-L137 HydrophobicContact CB-CD2 4.12Å; D130-L137 HydrophobicContact CB-CG 4.34Å; D130-T153 WeakPolarHBondContact OD2-CA 3.28Å; D130-T153 WeakPolarHBondContact OD2-CB 3.49Å; D130-T153 PolarHBondContact OD2-N 2.9Å; D130-G154 PolarHBondContact OD2-N 2.97Å
131P89.8Confident92.5Very high35 Ų3548.7 Ų48.723%0.22724%0.239CC..THydrogen-bonded Turntrans-72.3-8.9-177.831.6-36.8000113.8E129 Q156 I158E129-P131 WeakPolarHBondContact O-CD 3.3Å; P131-Q156 HydrophobicContact CG-CB 3.76Å; P131-I158 HydrophobicContact CB-CD1 4.3Å
132T82.8Confident92.6Very high77 Ų7747.9 Ų47.947%0.47223%0.233SC..THydrogen-bonded Turntrans-72.9-54178.5-36.60000110D130 G154D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CA 3.49Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.01Å; D130-T132 PolarHBondContact OD1-OG1 3.29Å; T132-G154 WeakPolarHBondContact OG1-CA 3.32Å
133E79.8Confident92.5Very high113 Ų11346.3 Ų46.353%0.52824%0.235SC..THydrogen-bonded Turntrans-86.5-14.4175.6-61.6-56.2140.700112.4T135 T153E133-T135 VanDerWaalsContact C-N 3.29Å; E133-T135 HydrophobicContact CB-CG2 4.01Å; E133-T153 HydrophobicContact CG-CG2 4.07Å
134K85.6Confident91.9Very high178 Ų17851.3 Ų51.377%0.77426%0.261SS*.THydrogen-bonded Turntrans60.638.4-172.9-52.3176-174.9172.70112.3D130D130-K134 VanDerWaalsContact O-CA 3.29Å; D130-K134 WeakPolarHBondContact O-CA 3.35Å; D130-K134 PolarHBondContact O-N 2.97Å
135T87.7Confident91.3Very high63 Ų6355.7 Ų55.739%0.38729%0.292SS..EExtended strand (participates in β ladder)trans-111.1139.8-179.250.60000110.5E129 D130 E133 L137E129-T135 WeakPolarHBondContact CA-O 3.5Å; D130-T135 PolarHBondContact N-O 3.21Å; D130-T135 PolarHBondContact O-N 3.37Å; E133-T135 VanDerWaalsContact C-N 3.29Å; E133-T135 HydrophobicContact CB-CG2 4.01Å; T135-L137 PolarHBondContact O-N 3.39Å
136I90.4Very high90.9Very high97 Ų9758.2 Ų58.250%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-76.2120.1163-66.2162.3000106.2E127 I128 G138E127-I136 HydrophobicContact CG-CG2 3.9Å; I128-I136 CarbonylContact O-C 3.55Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 WeakPolarHBondContact CG2-O 3.47Å
137L91Very high90.6Very high28 Ų2858.8 Ų58.815%0.14731%0.312CS..EExtended strand (participates in β ladder)trans-71.6-35.3174.9-57.8-172.6000110.4I128 D130 T135 Q150I128-L137 HydrophobicContact CG2-CB 4.29Å; I128-L137 HydrophobicContact CG2-CD1 3.95Å; I128-L137 HydrophobicContact CG2-CG 4.36Å; I128-L137 PolarHBondContact O-N 2.96Å; D130-L137 HydrophobicContact CB-CD1 4.48Å; D130-L137 HydrophobicContact CB-CD2 4.12Å; D130-L137 HydrophobicContact CB-CG 4.34Å; T135-L137 PolarHBondContact O-N 3.39Å; L137-Q150 HydrophobicContact CD1-CB 4.44Å
138G93.4Very high90.2Very high16 Ų1660.3 Ų60.317%0.16532%0.323CS..EExtended strand (participates in β ladder)trans176.9175.7168.500000113.2E127 I128 I136 W140E127-G138 WeakPolarHBondContact CA-O 3.22Å; I128-G138 PolarHBondContact N-O 2.98Å; I128-G138 PolarHBondContact O-N 3.49Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 WeakPolarHBondContact CG2-O 3.47Å; G138-W140 VanDerWaalsContact C-CH2 3.46Å; G138-W140 VanDerWaalsContact O-CZ3 3.22Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å
139R95.2Very high89.9Confident102 Ų10262.4 Ų62.439%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-140.8131.5176.3-178.7-170.3-69.6-152-6.1108.5C121 F125 V126 E127C121-R139 HydrophobicContact CB-CG 3.98Å; C121-R139 VanDerWaalsContact O-CD 3.32Å; C121-R139 WeakPolarHBondContact O-CD 3.42Å; C121-R139 PolarHBondContact O-NH1 2.98Å; F125-R139 HydrophobicContact CB-CG 3.77Å; F125-R139 HydrophobicContact CD2-CG 3.63Å; F125-R139 VanDerWaalsContact CE1-NH1 3.32Å; F125-R139 HydrophobicContact CE2-CG 4.42Å; F125-R139 VanDerWaalsContact CE2-CZ 3.43Å; F125-R139 HydrophobicContact CG-CG 3.83Å; F125-R139 VanDerWaalsContact CZ-CZ 3.44Å; F125-R139 VanDerWaalsContact CZ-NH1 3.28Å; V126-R139 CarbonylContact O-C 3.57Å; V126-R139 WeakPolarHBondContact O-CA 3.43Å; E127-R139 HydrophobicContact CB-CB 4.34Å; E127-R139 HydrophobicContact CB-CG 4.25Å; E127-R139 HydrophobicContact CG-CB 4.36Å; E127-R139 IonicContact OE1-NH2 3.21Å; E127-R139 IonicContact OE2-CZ 3.14Å; E127-R139 IonicContact OE2-NE 2.88Å; E127-R139 PolarHBondContact OE2-NE 2.99Å; E127-R139 IonicContact OE2-NH2 3.09Å; E127-R139 PolarHBondContact OE2-NH2 2.97Å
140W97.1Very high89.9Confident43 Ų4361 Ų6116%0.16333%0.332CS..EExtended strand (participates in β ladder)trans-135.5148.7-170.4-54.7-85.2000112.5F107 F111 C121 F125 V126 I128 G138 P147 Q150F107-W140 HydrophobicContact CE2-CE3 4.23Å; F107-W140 HydrophobicContact CE2-CZ3 4.42Å; F107-W140 HydrophobicContact CZ-CE3 4.19Å; F111-W140 HydrophobicContact CZ-CB 3.99Å; C121-W140 VanDerWaalsContact SG-C 3.58Å; F125-W140 WeakPolarHBondContact CA-O 3.39Å; V126-W140 HydrophobicContact CG1-CB 4.29Å; V126-W140 HydrophobicContact CG1-CE3 4.48Å; V126-W140 PolarHBondContact N-O 2.86Å; V126-W140 PolarHBondContact O-N 2.93Å; I128-W140 HydrophobicContact CB-CH2 4.17Å; I128-W140 HydrophobicContact CB-CZ3 3.83Å; I128-W140 HydrophobicContact CD1-CH2 4.06Å; I128-W140 HydrophobicContact CD1-CZ3 3.63Å; I128-W140 HydrophobicContact CG1-CH2 4.34Å; I128-W140 HydrophobicContact CG1-CZ3 3.68Å; G138-W140 VanDerWaalsContact C-CH2 3.46Å; G138-W140 VanDerWaalsContact O-CZ3 3.22Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å; W140-P147 HydrophobicContact CB-CB 4.33Å; W140-P147 HydrophobicContact CB-CG 3.63Å; W140-P147 HydrophobicContact CD2-CB 3.93Å; W140-P147 HydrophobicContact CD2-CG 4.17Å; W140-P147 HydrophobicContact CG-CB 3.69Å; W140-P147 HydrophobicContact CG-CG 3.54Å; W140-Q150 HydrophobicContact CH2-CG 3.77Å; W140-Q150 HydrophobicContact CZ2-CG 4.13Å
141C95.9Very high89.9Confident20 Ų2064.4 Ų64.414%0.13535%0.346CS..  trans-161-179.1-177.164.60000109.7L113 E114 C121 D124L113-C141 HydrophobicContact CB-CB 4.43Å; E114-C141 WeakPolarHBondContact O-CB 3.42Å; C121-C141 WeakPolarHBondContact CA-SG 3.25Å; C121-C141 HydrophobicContact CB-CB 3.64Å; C121-C141 WeakPolarHBondContact CB-SG 3.4Å; C121-C141 WeakPolarHBondContact SG-CB 3.14Å; C121-C141 PolarHBondContact SG-N 2.81Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 3.46Å; D124-C141 WeakPolarHBondContact O-CB 3.43Å
142G94.9Very high90Very high2 Ų262.9 Ų62.92%0.02134%0.336CS..SBendtrans70-170.8-177.800000114F111 G112 L113 E114 D115F111-G142 WeakPolarHBondContact CE1-O 3.41Å; G112-G142 WeakPolarHBondContact CA-O 3.17Å; L113-G142 PolarHBondContact N-O 2.71Å; L113-G142 CarbonylContact O-C 3.6Å; L113-G142 WeakPolarHBondContact O-CA 3.36Å; E114-G142 WeakPolarHBondContact O-CA 3.4Å; E114-G142 PolarHBondContact O-N 3.09Å; D115-G142 VanDerWaalsContact OD1-CA 3.23Å; D115-G142 WeakPolarHBondContact OD1-CA 3.31Å
143S91.1Very high90.3Very high69 Ų6962.8 Ų62.848%0.48334%0.336SS..SBendtrans-128.42.7-17459.70000114.9D115D115-S143 PolarHBondContact OD1-N 3.21Å
144Q80.9Confident90.6Very high167 Ų16758 Ų5878%0.7832%0.317SS*.SBendtrans-77.7-23.5-169.6-61.9178.936.200114.5
145S84.8Confident91Very high94 Ų9450.6 Ų50.666%0.65729%0.287SS*.SBendtrans-161.9135.5-17855.50000111.2
146V88.5Confident91.3Very high65 Ų6550.9 Ų50.939%0.39428%0.284SS..PPolyproline II helixtrans-68.1133.9174-174.50000109.8F107 D108 E109 F111F107-V146 HydrophobicContact CB-CG1 3.88Å; D108-V146 WeakPolarHBondContact O-CG1 3.42Å; E109-V146 VanDerWaalsContact O-CG2 3.31Å; E109-V146 WeakPolarHBondContact O-CG2 3.07Å; F111-V146 HydrophobicContact CB-CG1 4.35Å; F111-V146 HydrophobicContact CB-CG2 4.3Å
147P91.8Very high91.5Very high13 Ų1346.2 Ų46.28%0.08426%0.261CS..PPolyproline II helixtrans-64.4146.9177.7-21.332.9000113F107 F111 W140F107-P147 HydrophobicContact CD2-CB 3.56Å; F107-P147 HydrophobicContact CD2-CG 3.89Å; F107-P147 HydrophobicContact CE2-CB 3.79Å; F107-P147 HydrophobicContact CE2-CG 4.09Å; F107-P147 HydrophobicContact CG-CB 4.25Å; F107-P147 HydrophobicContact CG-CG 4.14Å; F111-P147 HydrophobicContact CD1-CG 4.39Å; F111-P147 HydrophobicContact CD2-CG 4.28Å; F111-P147 HydrophobicContact CE1-CG 4.17Å; F111-P147 HydrophobicContact CE2-CG 4.06Å; F111-P147 HydrophobicContact CG-CG 4.44Å; F111-P147 HydrophobicContact CZ-CG 4.01Å; W140-P147 HydrophobicContact CB-CB 4.33Å; W140-P147 HydrophobicContact CB-CG 3.63Å; W140-P147 HydrophobicContact CD2-CB 3.93Å; W140-P147 HydrophobicContact CD2-CG 4.17Å; W140-P147 HydrophobicContact CG-CB 3.69Å; W140-P147 HydrophobicContact CG-CG 3.54Å
148S90.1Very high91.8Very high40 Ų4045.3 Ų45.328%0.2826%0.256SS..PPolyproline II helixtrans-71.3159.1179.568.30000112.9Q150 Q226S148-Q150 PolarHBondContact O-N 2.79Å; S148-Q150 PolarHBondContact O-NE2 2.84Å; S148-Q150 PolarHBondContact OG-NE2 2.78Å; S148-Q226 PolarHBondContact OG-OE1 2.78Å
149S90.9Very high92Very high45 Ų4544.5 Ų44.532%0.31525%0.248SC..PPolyproline II helixtrans-66126.9-179.8-176.90000111.5Q104 L105 T106Q104-S149 WeakPolarHBondContact CG-OG 3.27Å; Q104-S149 PolarHBondContact NE2-OG 2.8Å; L105-S149 CarbonylContact O-C 3.31Å; L105-S149 WeakPolarHBondContact O-CA 3.2Å; L105-S149 WeakPolarHBondContact O-CB 3.45Å; L105-S149 PolarHBondContact O-OG 3.34Å; T106-S149 PolarHBondContact OG1-OG 2.88Å
150Q93.8Very high92.1Very high15 Ų1542.1 Ų42.17%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-97.9150-179.9-53.9-57.9-53.200110.6L105 I128 L137 W140 S148L105-Q150 HydrophobicContact CB-CB 4.23Å; L105-Q150 PolarHBondContact N-O 3.38Å; L105-Q150 PolarHBondContact O-N 2.98Å; I128-Q150 HydrophobicContact CD1-CG 4.11Å; L137-Q150 HydrophobicContact CD1-CB 4.44Å; W140-Q150 HydrophobicContact CH2-CG 3.77Å; W140-Q150 HydrophobicContact CZ2-CG 4.13Å; S148-Q150 PolarHBondContact O-N 2.79Å; S148-Q150 PolarHBondContact O-NE2 2.84Å; S148-Q150 PolarHBondContact OG-NE2 2.78Å
151K92.8Very high92.2Very high71 Ų7140 Ų4031%0.30923%0.231SC..EExtended strand (participates in β ladder)trans-128.2134.6176.4-67.2176.4178.8172.40109.2I103 Q104 L180 E223I103-K151 WeakPolarHBondContact O-CA 3.36Å; Q104-K151 HydrophobicContact CG-CG 4.44Å; K151-L180 HydrophobicContact CB-CD1 4.1Å; K151-L180 HydrophobicContact CD-CD1 4.09Å; K151-L180 HydrophobicContact CD-CD2 4.28Å; K151-L180 HydrophobicContact CG-CD1 4Å; K151-L180 HydrophobicContact CG-CD2 4.38Å; K151-E223 VanDerWaalsContact CD-OE2 3.26Å; K151-E223 WeakPolarHBondContact CD-OE2 3.11Å; K151-E223 WeakPolarHBondContact CE-OE2 3.5Å; K151-E223 IonicContact NZ-OE1 2.71Å; K151-E223 PolarHBondContact NZ-OE1 2.96Å; K151-E223 IonicContact NZ-OE2 3.56Å; K151-E223 PolarHBondContact NZ-OE2 3.23Å
152S91.6Very high92.2Very high2 Ų240.9 Ų40.91%0.01423%0.234CC..  trans-74.3150.4173.873.50000111.8R102 I103 G154R102-S152 WeakPolarHBondContact CD-O 3.4Å; I103-S152 PolarHBondContact N-OG 2.92Å; I103-S152 PolarHBondContact O-N 3.01Å; S152-G154 WeakPolarHBondContact CB-O 3.4Å; S152-G154 PolarHBondContact OG-O 2.86Å
153T88.6Confident92.2Very high75 Ų7541.1 Ų41.146%0.4624%0.235SC..SBendtrans-79.7-46.8167.9-53.80000109.7R102 D130 E133R102-T153 VanDerWaalsContact CD-O 3.26Å; R102-T153 WeakPolarHBondContact CD-O 3.34Å; D130-T153 WeakPolarHBondContact OD2-CA 3.28Å; D130-T153 WeakPolarHBondContact OD2-CB 3.49Å; D130-T153 PolarHBondContact OD2-N 2.9Å; E133-T153 HydrophobicContact CG-CG2 4.07Å
154G87.6Confident92.4Very high13 Ų1340 Ų4013%0.13422%0.224CC..SBendtrans-99.8-166.3178.500000114.6D130 T132 S152 Q156D130-G154 PolarHBondContact OD2-N 2.97Å; T132-G154 WeakPolarHBondContact OG1-CA 3.32Å; S152-G154 WeakPolarHBondContact CB-O 3.4Å; S152-G154 PolarHBondContact OG-O 2.86Å; G154-Q156 VanDerWaalsContact C-N 3.3Å
155S92.1Very high93Very high22 Ų2237.6 Ų37.615%0.15421%0.212CC..SBendtrans-85.46.4176.756.30000114.3A97 R101A97-S155 PolarHBondContact N-O 2.88Å; R101-S155 VanDerWaalsContact O-CA 3.26Å; R101-S155 WeakPolarHBondContact O-CA 3.34Å; R101-S155 WeakPolarHBondContact O-CB 3.37Å
156Q94.3Very high93.2Very high69 Ų6939.1 Ų39.132%0.32220%0.204SC..EExtended strand (participates in β ladder)trans-132.8148.9-178.6-69.5-176.960.100112.1L95 V96 P131 G154L95-Q156 VanDerWaalsContact O-CA 3.27Å; L95-Q156 WeakPolarHBondContact O-CA 3.28Å; V96-Q156 HydrophobicContact CB-CG 4.47Å; V96-Q156 HydrophobicContact CG1-CG 4.15Å; V96-Q156 HydrophobicContact CG2-CG 4.21Å; P131-Q156 HydrophobicContact CG-CB 3.76Å; G154-Q156 VanDerWaalsContact C-N 3.3Å
157V96.1Very high93.2Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-141.3144167.9-176.80000109.1L95 I103 L105 I128 V159L95-V157 HydrophobicContact CB-CB 4.47Å; L95-V157 PolarHBondContact N-O 2.9Å; L95-V157 PolarHBondContact O-N 2.76Å; I103-V157 HydrophobicContact CB-CG2 4.39Å; I103-V157 HydrophobicContact CD1-CG2 4.31Å; L105-V157 HydrophobicContact CD1-CB 4.31Å; L105-V157 HydrophobicContact CD1-CG1 3.77Å; L105-V157 HydrophobicContact CD1-CG2 4.2Å; I128-V157 HydrophobicContact CG2-CG1 3.46Å; I128-V157 VanDerWaalsContact CG2-CG1 3.46Å; V157-V159 HydrophobicContact CG1-CG2 4.24Å
158I96.8Very high93.2Very high8 Ų844.4 Ų44.44%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-106.3123.8167.6-53.8169.8000107.5V92 W93 E129 P131V92-I158 HydrophobicContact CG1-CG2 3.65Å; W93-I158 WeakPolarHBondContact O-CA 3.12Å; E129-I158 HydrophobicContact CB-CB 4.3Å; E129-I158 PolarHBondContact N-O 3.27Å; E129-I158 PolarHBondContact O-N 3.46Å; P131-I158 HydrophobicContact CB-CD1 4.3Å
159V97.8Very high93.3Very high0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-107.9132.3169.9-172.30000108.1I76 V92 W93 L95 V126 E127 I128 V157 L175I76-V159 HydrophobicContact CD1-CB 3.84Å; I76-V159 HydrophobicContact CD1-CG1 3.94Å; I76-V159 HydrophobicContact CD1-CG2 3.97Å; V92-V159 CarbonylContact C-O 3.55Å; V92-V159 WeakPolarHBondContact CA-O 3.28Å; W93-V159 HydrophobicContact CB-CB 4.49Å; W93-V159 HydrophobicContact CE3-CB 4.36Å; W93-V159 HydrophobicContact CE3-CG1 4.33Å; W93-V159 PolarHBondContact N-O 3.41Å; W93-V159 PolarHBondContact O-N 2.87Å; L95-V159 HydrophobicContact CD1-CG2 4.31Å; V126-V159 HydrophobicContact CG2-CG1 3.89Å; E127-V159 CarbonylContact O-C 3.56Å; E127-V159 WeakPolarHBondContact O-CA 3.36Å; I128-V159 HydrophobicContact CG1-CG1 4.15Å; I128-V159 HydrophobicContact CG1-CG2 4.21Å; V157-V159 HydrophobicContact CG1-CG2 4.24Å; V159-L175 HydrophobicContact CG1-CD2 3.89Å; V159-L175 HydrophobicContact CG2-CD2 4.08Å
160R97.4Very high93.3Very high51 Ų5148 Ų4819%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-130.1118.3-173.1176.9-177.6-61.6110.77.3109L91 V92 V126 E127 E129 I162L91-R160 WeakPolarHBondContact O-CA 3.31Å; V92-R160 HydrophobicContact CG2-CG 4.43Å; V126-R160 CarbonylContact C-O 3.52Å; V126-R160 WeakPolarHBondContact CA-O 3.28Å; E127-R160 HydrophobicContact CB-CB 4.37Å; E127-R160 PolarHBondContact N-O 3.43Å; E127-R160 PolarHBondContact O-N 3.26Å; E127-R160 IonicContact OE1-CZ 3.57Å; E127-R160 IonicContact OE1-NH1 2.73Å; E127-R160 PolarHBondContact OE1-NH1 2.95Å; E129-R160 IonicContact OE2-CZ 2.64Å; E129-R160 VanDerWaalsContact OE2-CZ 3.26Å; E129-R160 IonicContact OE2-NH1 2.82Å; E129-R160 PolarHBondContact OE2-NH1 3.1Å; E129-R160 IonicContact OE2-NH2 2.73Å; E129-R160 PolarHBondContact OE2-NH2 2.04Å; R160-I162 HydrophobicContact CG-CD1 4.15Å; R160-I162 HydrophobicContact CG-CG1 4.37Å
161F97.8Very high93.3Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-107.4133.2170.7173.6-112.6000109.4Y85 T89 M90 L91 W93 L113 F125 V126 F173Y85-F161 HydrophobicContact CD2-CE1 4.4Å; Y85-F161 AromaticContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CE2-CZ 4.04Å; Y85-F161 AromaticContact CG-CZ 3.99Å; Y85-F161 HydrophobicContact CG-CZ 3.99Å; T89-F161 HydrophobicContact CG2-CD1 4.29Å; T89-F161 HydrophobicContact CG2-CE1 4.16Å; M90-F161 WeakPolarHBondContact CA-O 3.48Å; L91-F161 HydrophobicContact CB-CB 4.46Å; L91-F161 HydrophobicContact CD1-CD1 4.38Å; L91-F161 PolarHBondContact N-O 3.27Å; L91-F161 PolarHBondContact O-N 2.82Å; W93-F161 HydrophobicContact CH2-CB 4.16Å; W93-F161 HydrophobicContact CZ3-CB 3.77Å; L113-F161 HydrophobicContact CD1-CD2 4.49Å; L113-F161 HydrophobicContact CD1-CE2 4.12Å; L113-F161 HydrophobicContact CD2-CE2 3.83Å; L113-F161 HydrophobicContact CD2-CZ 4.5Å; F125-F161 WeakPolarHBondContact O-CA 3.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.45Å; V126-F161 HydrophobicContact CB-CD2 4.48Å; F161-F173 HydrophobicContact CB-CE1 3.83Å; F161-F173 HydrophobicContact CB-CZ 4.09Å; F161-F173 HydrophobicContact CD1-CE1 4.29Å; F161-F173 HydrophobicContact CD2-CD1 4.05Å; F161-F173 AromaticContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CE2-CD1 4.34Å; F161-F173 HydrophobicContact CE2-CE1 4.2Å; F161-F173 AromaticContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CZ 4.37Å
162I96.3Very high93.5Very high38 Ų3845.3 Ų45.320%0.19523%0.227CC..EExtended strand (participates in β ladder)trans-131.5133.8176-73.9169000107.8T89 M90 D124 F125 R160T89-I162 CarbonylContact O-C 3.52Å; T89-I162 VanDerWaalsContact O-CA 3.31Å; T89-I162 WeakPolarHBondContact O-CA 3.32Å; M90-I162 HydrophobicContact CB-CG1 4.45Å; M90-I162 HydrophobicContact CE-CD1 4.21Å; M90-I162 HydrophobicContact CE-CG1 4.35Å; M90-I162 HydrophobicContact CG-CD1 4.5Å; M90-I162 HydrophobicContact CG-CG1 3.96Å; D124-I162 WeakPolarHBondContact CA-O 3.36Å; F125-I162 HydrophobicContact CE1-CB 4.12Å; F125-I162 HydrophobicContact CE1-CD1 4.46Å; F125-I162 HydrophobicContact CE1-CG2 4.08Å; F125-I162 HydrophobicContact CE2-CB 4.23Å; F125-I162 HydrophobicContact CE2-CD1 3.97Å; F125-I162 HydrophobicContact CE2-CG1 4.47Å; F125-I162 HydrophobicContact CZ-CB 3.95Å; F125-I162 HydrophobicContact CZ-CD1 3.61Å; F125-I162 HydrophobicContact CZ-CG1 4.29Å; F125-I162 HydrophobicContact CZ-CG2 4.26Å; F125-I162 PolarHBondContact N-O 3.43Å; F125-I162 PolarHBondContact O-N 3.24Å; R160-I162 HydrophobicContact CG-CD1 4.15Å; R160-I162 HydrophobicContact CG-CG1 4.37Å
163S95.9Very high93.8Very high6 Ų645.2 Ų45.24%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-125.4152163.762.40000112.1P86 D88 T89 D124P86-S163 PolarHBondContact O-OG 2.92Å; D88-S163 WeakPolarHBondContact CA-O 3.36Å; T89-S163 WeakPolarHBondContact CB-OG 3.33Å; T89-S163 PolarHBondContact N-O 3.4Å; T89-S163 PolarHBondContact N-OG 2.89Å; T89-S163 VanDerWaalsContact N-OG 3.16Å; T89-S163 PolarHBondContact O-N 2.73Å; D124-S163 WeakPolarHBondContact OD1-CA 3.34Å; D124-S163 WeakPolarHBondContact OD1-CB 3.25Å
164D94.2Very high94.2Very high47 Ų4741.9 Ų41.925%0.25121%0.206SC..  trans-97.3-176.9-177116.4-16.6000112.7R87 D88 Y123 D124 Y166R87-D164 WeakPolarHBondContact CA-O 3.44Å; R87-D164 VanDerWaalsContact CB-O 3.24Å; R87-D164 WeakPolarHBondContact CB-O 3.47Å; D88-D164 PolarHBondContact N-O 2.78Å; Y123-D164 WeakPolarHBondContact CD1-OD2 3.44Å; D124-D164 PolarHBondContact OD1-N 3.43Å; D164-Y166 PolarHBondContact O-N 2.92Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.39Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.17Å; D164-Y166 PolarHBondContact OD1-N 2.9Å
165E93.4Very high94.7Very high115 Ų11541.2 Ų41.254%0.53720%0.199SC..SBendtrans-68.3-9.9-178.5-80.6-176.5-168.800114.8R87R87-E165 WeakPolarHBondContact CD-O 3.03Å; R87-E165 PolarHBondContact NE-O 3.28Å
166Y89.4Confident94.9Very high127 Ų12743.9 Ų43.950%0.49821%0.209SC..SBendtrans-126.8176-167-55-77.6000113.4R87 D164 P168R87-Y166 WeakPolarHBondContact CD-O 3.45Å; D164-Y166 PolarHBondContact O-N 2.92Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.39Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.17Å; D164-Y166 PolarHBondContact OD1-N 2.9Å; Y166-P168 VanDerWaalsContact C-CD 3.47Å; Y166-P168 WeakPolarHBondContact O-CD 3.41Å
167F89.2Confident95.1Very high152 Ų15242.2 Ų42.267%0.66720%0.2SC*.  trans21.553.9170.3-48.4-63.9000121.2E114E114-F167 HydrophobicContact CG-CB 4.34Å; E114-F167 WeakPolarHBondContact OE1-CB 3.4Å
168P91.6Very high95Very high37 Ų3743.4 Ų43.424%0.2421%0.208CC..  trans-70.9138.3-179.833.4-35.4000110T84 Y85 R87 Y166T84-P168 HydrophobicContact CG2-CB 3.87Å; T84-P168 HydrophobicContact CG2-CG 3.8Å; Y85-P168 HydrophobicContact CD2-CB 4.05Å; Y85-P168 HydrophobicContact CE2-CB 3.7Å; Y85-P168 WeakPolarHBondContact O-CB 3.36Å; R87-P168 HydrophobicContact CG-CB 3.94Å; R87-P168 HydrophobicContact CG-CG 3.6Å; Y166-P168 VanDerWaalsContact C-CD 3.47Å; Y166-P168 WeakPolarHBondContact O-CD 3.41Å
169S92Very high94.9Very high32 Ų3244.4 Ų44.422%0.22421%0.214CC..  trans-95.2172-175.6-159.20000112.7T84 Y85 L113T84-S169 WeakPolarHBondContact CA-O 3.35Å; Y85-S169 VanDerWaalsContact CD1-O 3.31Å; Y85-S169 WeakPolarHBondContact CD1-O 3.24Å; Y85-S169 WeakPolarHBondContact CE1-O 3.34Å; Y85-S169 VanDerWaalsContact CZ-N 3.28Å; Y85-S169 PolarHBondContact OH-N 3.02Å; L113-S169 WeakPolarHBondContact O-CB 3.38Å; L113-S169 PolarHBondContact O-OG 3.48Å
170E90.9Very high94.4Very high127 Ų12745.4 Ų45.459%0.59322%0.219SC*.SBendtrans-125.8149166.663.3179.5-17100108.5
171P94.5Very high93.3Very high30 Ų3048.3 Ų48.320%0.19524%0.244CC..SBendcis-85.60.97.235-39.4000116F81 P82 N110F81-P171 WeakPolarHBondContact CD2-O 3.44Å; F81-P171 HydrophobicContact CE2-CB 4.34Å; P82-P171 CarbonylContact C-O 3.53Å; P82-P171 VanDerWaalsContact C-O 3.31Å; P82-P171 WeakPolarHBondContact CA-O 3.49Å; P82-P171 HydrophobicContact CB-CB 3.91Å; P82-P171 VanDerWaalsContact O-CA 3.31Å; P82-P171 WeakPolarHBondContact O-CA 3.14Å; P82-P171 VanDerWaalsContact O-CB 3.28Å; P82-P171 WeakPolarHBondContact O-CB 3.27Å; N110-P171 HydrophobicContact CB-CB 4.4Å; N110-P171 HydrophobicContact CB-CG 3.89Å; N110-P171 VanDerWaalsContact O-CG 3.3Å; N110-P171 WeakPolarHBondContact O-CG 3.49Å
172G96.2Very high91.6Very high0 Ų053.2 Ų53.20%027%0.274CS..BIsolated β-bridgetrans86.4-141.2-168.100000112.1G112G112-G172 PolarHBondContact N-O 3.35Å; G112-G172 WeakPolarHBondContact O-CA 3.05Å; G112-G172 PolarHBondContact O-N 3.34Å
173F97.4Very high89.4Confident0 Ų056.9 Ų56.90%030%0.303CS..  trans-141.8148.4172.981.4-81.8000112.7H77 S78 F81 W93 F107 F111 L113 V126 F161 L175H77-F173 CarbonylContact C-O 3.56Å; H77-F173 WeakPolarHBondContact CA-O 3.26Å; H77-F173 VanDerWaalsContact CB-O 3.24Å; H77-F173 WeakPolarHBondContact CB-O 3.09Å; S78-F173 PolarHBondContact N-O 2.81Å; S78-F173 PolarHBondContact OG-N 2.97Å; S78-F173 VanDerWaalsContact OG-N 3.07Å; S78-F173 PolarHBondContact OG-O 3.34Å; F81-F173 WeakPolarHBondContact CD2-O 3.36Å; W93-F173 AromaticContact CH2-CZ 3.88Å; W93-F173 HydrophobicContact CH2-CZ 3.88Å; W93-F173 AromaticContact CZ3-CZ 3.9Å; W93-F173 HydrophobicContact CZ3-CZ 3.9Å; F107-F173 HydrophobicContact CD1-CB 4.42Å; F107-F173 HydrophobicContact CD1-CD2 4.27Å; F107-F173 HydrophobicContact CE1-CB 4.5Å; F107-F173 AromaticContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CG 4.46Å; F111-F173 HydrophobicContact CD2-CB 3.7Å; F111-F173 HydrophobicContact CE2-CB 3.78Å; L113-F173 HydrophobicContact CD2-CD1 4.48Å; V126-F173 HydrophobicContact CG2-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CE1 4.47Å; V126-F173 HydrophobicContact CG2-CE2 4.15Å; V126-F173 HydrophobicContact CG2-CZ 4.15Å; F161-F173 HydrophobicContact CB-CE1 3.83Å; F161-F173 HydrophobicContact CB-CZ 4.09Å; F161-F173 HydrophobicContact CD1-CE1 4.29Å; F161-F173 HydrophobicContact CD2-CD1 4.05Å; F161-F173 AromaticContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CE2-CD1 4.34Å; F161-F173 HydrophobicContact CE2-CE1 4.2Å; F161-F173 AromaticContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CZ 4.37Å; F173-L175 HydrophobicContact CD2-CB 4.11Å; F173-L175 HydrophobicContact CE2-CB 4.1Å
174C97.6Very high86.8Confident5 Ų560.8 Ų60.83%0.03434%0.336CS..EExtended strand (participates in β ladder)trans-122142157.5-1780000108.9H77 F81 F107 D108H77-C174 HydrophobicContact CB-CB 3.98Å; F81-C174 HydrophobicContact CD1-CB 3.9Å; F81-C174 HydrophobicContact CD2-CB 4.35Å; F81-C174 HydrophobicContact CE1-CB 3.48Å; F81-C174 VanDerWaalsContact CE1-CB 3.48Å; F81-C174 HydrophobicContact CE2-CB 3.98Å; F81-C174 HydrophobicContact CG-CB 4.32Å; F81-C174 HydrophobicContact CZ-CB 3.52Å; F107-C174 WeakPolarHBondContact CA-O 3.14Å; D108-C174 HydrophobicContact CB-CB 3.84Å; D108-C174 PolarHBondContact N-O 3.49Å
175L97.5Very high84.6Confident0 Ų064.4 Ų64.40%037%0.365CS..EExtended strand (participates in β ladder)trans-130.7106.8-177.5-178.761.3000108.6M75 I76 L105 F107 I128 V159 F173M75-L175 WeakPolarHBondContact CA-O 3.33Å; I76-L175 HydrophobicContact CD1-CD2 4.27Å; I76-L175 HydrophobicContact CG1-CB 4.04Å; I76-L175 HydrophobicContact CG1-CD2 4.38Å; I76-L175 HydrophobicContact CG1-CG 4.5Å; I76-L175 PolarHBondContact N-O 2.89Å; I76-L175 PolarHBondContact O-N 3.35Å; L105-L175 HydrophobicContact CB-CD1 4.09Å; L105-L175 HydrophobicContact CD2-CD2 4.14Å; L105-L175 HydrophobicContact CD2-CG 4.2Å; F107-L175 HydrophobicContact CD1-CB 4.24Å; F107-L175 HydrophobicContact CD1-CD1 3.89Å; F107-L175 HydrophobicContact CD2-CD1 3.72Å; F107-L175 HydrophobicContact CE1-CB 4.18Å; F107-L175 HydrophobicContact CE1-CD1 3.92Å; F107-L175 HydrophobicContact CE1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CG 4.37Å; F107-L175 HydrophobicContact CE2-CD1 3.78Å; F107-L175 HydrophobicContact CG-CD1 3.8Å; F107-L175 HydrophobicContact CZ-CD1 3.88Å; F107-L175 HydrophobicContact CZ-CD2 4.17Å; I128-L175 HydrophobicContact CD1-CD2 3.97Å; V159-L175 HydrophobicContact CG1-CD2 3.89Å; V159-L175 HydrophobicContact CG2-CD2 4.08Å; F173-L175 HydrophobicContact CD2-CB 4.11Å; F173-L175 HydrophobicContact CE2-CB 4.1Å
176H97.6Very high81.8Confident77 Ų7767.9 Ų67.936%0.35638%0.381SS..EExtended strand (participates in β ladder)trans-75.8138.3173.1-62.592.5000109.4G74 L105 T106 D108G74-H176 WeakPolarHBondContact O-CA 2.98Å; L105-H176 CarbonylContact C-O 3.52Å; L105-H176 WeakPolarHBondContact CA-O 3.43Å; T106-H176 PolarHBondContact N-O 2.84Å; T106-H176 PolarHBondContact O-N 3.38Å; D108-H176 IonicContact OD2-CE1 3.21Å
177Y96.9Very high79.7Confident34 Ų3467.2 Ų67.213%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-125.1143.9175.365.2-101.8000110.9L68 V70 E73 G74 M75 I76 L95 Q104L68-Y177 HydrophobicContact CD1-CE1 4.37Å; V70-Y177 HydrophobicContact CG1-CD2 3.89Å; V70-Y177 HydrophobicContact CG1-CE2 4.16Å; V70-Y177 HydrophobicContact CG2-CD2 4.04Å; V70-Y177 HydrophobicContact CG2-CE2 4.07Å; E73-Y177 CarbonylContact C-O 3.56Å; E73-Y177 WeakPolarHBondContact CA-O 2.94Å; G74-Y177 PolarHBondContact N-O 2.94Å; G74-Y177 PolarHBondContact O-N 3.3Å; M75-Y177 VanDerWaalsContact N-CE1 3.32Å; I76-Y177 HydrophobicContact CG2-CD1 4.45Å; I76-Y177 HydrophobicContact CG2-CE1 4.06Å; L95-Y177 HydrophobicContact CD1-CD1 4.38Å; L95-Y177 HydrophobicContact CD1-CG 4.22Å; L95-Y177 HydrophobicContact CD2-CD1 4.32Å; L95-Y177 HydrophobicContact CD2-CE1 4.37Å; Q104-Y177 VanDerWaalsContact O-CA 3.31Å; Q104-Y177 WeakPolarHBondContact O-CA 3.49Å
178S95.2Very high77.6Confident25 Ų2568.9 Ų68.918%0.17540%0.402CS..EExtended strand (participates in β ladder)trans-145.8165.9176.1680000111.2I103 Q104I103-S178 CarbonylContact C-O 3.51Å; I103-S178 WeakPolarHBondContact CA-O 3.34Å; Q104-S178 PolarHBondContact N-O 3.02Å; Q104-S178 PolarHBondContact O-N 3.39Å
179L93.8Very high75.1Confident30 Ų3071.5 Ų71.516%0.15743%0.427CS..EExtended strand (participates in β ladder)trans-80127.5166.8-67175.4000109.2V70 S71 A97 R101V70-L179 HydrophobicContact CB-CD2 4.25Å; V70-L179 HydrophobicContact CG1-CD2 3.65Å; V70-L179 HydrophobicContact CG1-CG 3.92Å; S71-L179 WeakPolarHBondContact O-CD1 3.41Å; A97-L179 HydrophobicContact CB-CD2 3.65Å; R101-L179 HydrophobicContact CB-CD2 4.16Å
180L87.7Confident72.5Confident21 Ų2176.3 Ų76.311%0.1146%0.455CS..PPolyproline II helixtrans-58.1135.2167.6-81.7170.9000109.2R102 Q104 K151 V182R102-L180 HydrophobicContact CB-CB 4.36Å; R102-L180 HydrophobicContact CB-CD1 3.75Å; R102-L180 PolarHBondContact O-N 2.86Å; Q104-L180 HydrophobicContact CB-CD2 3.85Å; Q104-L180 HydrophobicContact CB-CG 3.94Å; Q104-L180 HydrophobicContact CG-CD2 4.44Å; K151-L180 HydrophobicContact CB-CD1 4.1Å; K151-L180 HydrophobicContact CD-CD1 4.09Å; K151-L180 HydrophobicContact CD-CD2 4.28Å; K151-L180 HydrophobicContact CG-CD1 4Å; K151-L180 HydrophobicContact CG-CD2 4.38Å; L180-V182 PolarHBondContact O-N 3.25Å; L180-V182 VanDerWaalsContact O-N 3.13Å
181P74.4Confident70.4Confident111 Ų11176.4 Ų76.472%0.72147%0.465SS*.PPolyproline II helixtrans-54.7122.1173.3-2533.9000110S183P181-S183 PolarHBondContact O-N 3.25Å; P181-S183 VanDerWaalsContact O-N 3.11Å
182V61.3Low68.2Low104 Ų10481.4 Ų81.463%0.6349%0.485SS*.  trans-66.2112.6162.7178.40000105.3R101 L180 A184R101-V182 HydrophobicContact CG-CG2 4.43Å; L180-V182 PolarHBondContact O-N 3.25Å; L180-V182 VanDerWaalsContact O-N 3.13Å; V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 3.04Å
183S51.1Low65.7Low114 Ų11484.2 Ų84.280%0.79750%0.504SS*.  trans-67.584.7-177.138.20000110.8P181 S185P181-S183 PolarHBondContact O-N 3.25Å; P181-S183 VanDerWaalsContact O-N 3.11Å; S183-S185 PolarHBondContact O-N 3.45Å
184A40.1Very low63.5Low89 Ų8987.7 Ų87.774%0.73653%0.526SS*.  trans-53.4133.4155.300000107.8V182 E186V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 3.04Å; A184-E186 PolarHBondContact O-N 3.27Å
185S48.9Very low61.4Low123 Ų12389.2 Ų89.286%0.8654%0.536SS*.  trans-6697.2-173.354.30000111.5S183S183-S185 PolarHBondContact O-N 3.45Å
186E34.3Very low59.2Low187 Ų18794.4 Ų94.487%0.87457%0.573SS**  trans-76.4140.5166-159.3154-145.100108.8A184A184-E186 PolarHBondContact O-N 3.27Å
187P44.5Very low57.1Low113 Ų11397.4 Ų97.473%0.73459%0.59SS**  trans-82.2154.9-152.230.9-36.1000115.4A189P187-A189 PolarHBondContact O-N 3.23Å
188E45.1Very low55.4Low187 Ų18796.8 Ų96.887%0.87459%0.589SS**  trans-12.987.4176.3-65.2178.9110.400117.6
189A39.8Very low54.2Low92 Ų9297.5 Ų97.576%0.7660%0.6SS**SBendtrans-95.680.2156.800000109.8P187P187-A189 PolarHBondContact O-N 3.23Å
190T37.9Very low53.2Low133 Ų133101.6 Ų101.682%0.81663%0.626SS**  trans51.6109.2171.847.20000117.7Q192T190-Q192 PolarHBondContact O-N 2.7Å; T190-Q192 VanDerWaalsContact O-N 3.13Å
191T47Very low52.6Low130 Ų130104.1 Ų104.180%0.79864%0.637SS**  trans-54.1108.9176.9-46.20000114.3
192Q47.6Very low52.5Low134 Ų134102.7 Ų102.763%0.62662%0.621SS**  trans-126.9142.2144.5-69.6-165.9-70.200108.6T190T190-Q192 PolarHBondContact O-N 2.7Å; T190-Q192 VanDerWaalsContact O-N 3.13Å
193P43.1Very low53.3Low59 Ų59100 Ų10038%0.38360%0.602SS.*  trans-67.8160.9172.830.9-34.7000110.5Q198P193-Q198 HydrophobicContact CG-CG 3.77Å
194P51.7Low54.6Low73 Ų7398.9 Ų98.947%0.47459%0.587SS.*  trans-59.2143.9171.927-34.9000110.2S196 L197P194-S196 PolarHBondContact O-N 2.82Å; P194-L197 HydrophobicContact CG-CD1 4.16Å; P194-L197 PolarHBondContact O-N 2.99Å
195P53.6Low56.3Low37 Ų37100.9 Ų100.924%0.2458%0.581CS.*G310 helixtrans-61.6-21-171.321.3-32.4000114L197 Q198 L203 Y219P195-L197 PolarHBondContact O-N 2.84Å; P195-Q198 PolarHBondContact O-N 2.96Å; P195-L203 HydrophobicContact CB-CD1 3.65Å; P195-Y219 HydrophobicContact CB-CE1 4.38Å
196S52.7Low57.8Low110 Ų11096.2 Ų96.277%0.76955%0.55SS**G310 helixtrans-68.6-5.5171.7540000115.2P194P194-S196 PolarHBondContact O-N 2.82Å
197L53.2Low60.1Low139 Ų13989 Ų8973%0.72852%0.519SS*.G310 helixtrans-117.9-1.7174.2-84.5169.6000113.9P194 P195P194-L197 HydrophobicContact CG-CD1 4.16Å; P194-L197 PolarHBondContact O-N 2.99Å; P195-L197 PolarHBondContact O-N 2.84Å
198Q60.4Low61.7Low22 Ų2286.4 Ų86.410%0.10351%0.507CS..SBendtrans-77.4156.4177.7-72.2-178.1-54.900111.8P193 P195 E202P193-Q198 HydrophobicContact CG-CG 3.77Å; P195-Q198 PolarHBondContact O-N 2.96Å; Q198-E202 HydrophobicContact CB-CB 4.29Å; Q198-E202 HydrophobicContact CB-CG 4.33Å; Q198-E202 HydrophobicContact CG-CG 4.28Å; Q198-E202 PolarHBondContact NE2-OE1 2.88Å
199G69.5Low63.3Low40 Ų4083.1 Ų83.141%0.41250%0.499SS..  trans-67149.316900000110.8E201 E202 L203G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.08Å; G199-E202 WeakPolarHBondContact O-CB 3.05Å; G199-E202 PolarHBondContact O-N 3.32Å; G199-L203 PolarHBondContact O-N 2.9Å
200V74.3Confident65.4Low115 Ų11580.7 Ų80.770%0.69747%0.473SS*.Hα-helixtrans-54.6-32.2178.9179.40000112L204V200-L204 HydrophobicContact CG1-CD1 4.19Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.24Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 2.99Å
201E73.5Confident67.4Low74 Ų7477.2 Ų77.235%0.34645%0.454SS..Hα-helixtrans-72.1-40.4177.5-157.860.2-148.500113.5G199 L203 L204 E205 S305 H306G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.08Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.74Å; E201-L204 WeakPolarHBondContact O-CB 3.48Å; E201-L204 PolarHBondContact O-N 3.2Å; E201-E205 PolarHBondContact O-N 3.16Å; E201-S305 WeakPolarHBondContact OE1-CB 3.37Å; E201-H306 IonicContact OE1-CE1 3.34Å; E201-H306 PolarHBondContact OE1-CE1 2.82Å; E201-H306 IonicContact OE1-ND1 3.91Å; E201-H306 PolarHBondContact OE1-ND1 3.45Å; E201-H306 IonicContact OE1-NE2 2.63Å; E201-H306 IonicContact OE2-CE1 3.57Å; E201-H306 PolarHBondContact OE2-CE1 2.96Å
202E72.6Confident69.3Low81 Ų8172.8 Ų72.838%0.37943%0.427SS..Hα-helixtrans-65.6-37.6176.1-170.9-174.9174.600110.5Q198 G199 A206Q198-E202 HydrophobicContact CB-CB 4.29Å; Q198-E202 HydrophobicContact CB-CG 4.33Å; Q198-E202 HydrophobicContact CG-CG 4.28Å; Q198-E202 PolarHBondContact NE2-OE1 2.88Å; G199-E202 WeakPolarHBondContact O-CB 3.05Å; G199-E202 PolarHBondContact O-N 3.32Å; E202-A206 PolarHBondContact O-N 3.27Å; E202-A206 VanDerWaalsContact O-N 3.11Å
203L79.3Confident71.2Confident47 Ų4767.7 Ų67.725%0.24641%0.405CS..Hα-helixtrans-65.9-40.2172-159.186.5000112.2P195 G199 E201 V207 L220P195-L203 HydrophobicContact CB-CD1 3.65Å; G199-L203 PolarHBondContact O-N 2.9Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.74Å; L203-V207 WeakPolarHBondContact O-CB 3.2Å; L203-V207 VanDerWaalsContact O-CG2 3.28Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 2.88Å; L203-L220 HydrophobicContact CD1-CD2 3.76Å; L203-L220 HydrophobicContact CD2-CD2 3.92Å; L203-L220 HydrophobicContact CG-CD2 4Å
204L76.8Confident73.3Confident92 Ų9268.7 Ų68.748%0.48241%0.405SS..Hα-helixtrans-63.9-44176.8-81.8166000111.7V200 E201 V207 A208V200-L204 HydrophobicContact CG1-CD1 4.19Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.24Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 2.99Å; E201-L204 WeakPolarHBondContact O-CB 3.48Å; E201-L204 PolarHBondContact O-N 3.2Å; L204-V207 PolarHBondContact O-N 3.38Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.07Å
205E77.6Confident75Confident130 Ų13067.3 Ų67.361%0.60739%0.393SS*.Hα-helixtrans-62.9-47.1176.8-173173.9-166.800111.5E201 V207 A208E201-E205 PolarHBondContact O-N 3.16Å; E205-V207 PolarHBondContact O-N 3.47Å; E205-A208 WeakPolarHBondContact O-CB 2.99Å; E205-A208 PolarHBondContact O-N 2.77Å
206A78.5Confident76.7Confident25 Ų2566.7 Ų66.721%0.20739%0.389CS..Hα-helixtrans-59.3-45.2176.800000112.5E202 A208 V209 Y219E202-A206 PolarHBondContact O-N 3.27Å; E202-A206 VanDerWaalsContact O-N 3.11Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.93Å; A206-V209 PolarHBondContact O-N 3Å; A206-Y219 HydrophobicContact CB-CE1 3.67Å; A206-Y219 WeakPolarHBondContact CB-OH 3.33Å
207V84.4Confident78.3Confident37 Ų3763.1 Ų63.122%0.22436%0.361CS..Hα-helixtrans-68.1-29.3179.3166.30000112.7L203 L204 E205 V209 L210 V216 Y219 L220 R259L203-V207 WeakPolarHBondContact O-CB 3.2Å; L203-V207 VanDerWaalsContact O-CG2 3.28Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 2.88Å; L204-V207 PolarHBondContact O-N 3.38Å; E205-V207 PolarHBondContact O-N 3.47Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.83Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-V216 HydrophobicContact CG1-CG1 4.13Å; V207-V216 HydrophobicContact CG1-CG2 4.04Å; V207-V216 HydrophobicContact CG2-CG1 4.28Å; V207-Y219 HydrophobicContact CG2-CD1 4.47Å; V207-L220 HydrophobicContact CG2-CD2 4.4Å; V207-R259 PolarHBondContact O-NH2 3.15Å
208A77.5Confident79.9Confident57 Ų5759.8 Ų59.847%0.47134%0.34SS..Hα-helixtrans-62.6-36.9179.500000113L204 E205 A206 R259L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.07Å; E205-A208 WeakPolarHBondContact O-CB 2.99Å; E205-A208 PolarHBondContact O-N 2.77Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.93Å; A208-R259 PolarHBondContact O-NH2 3.42Å
209V78.2Confident81.1Confident119 Ų11961.8 Ų61.872%0.72135%0.347SS*.Hα-helixtrans-69.7-30.1-177.4179.80000113A206 V207A206-V209 PolarHBondContact O-N 3Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.83Å
210L84.6Confident81.9Confident40 Ų4062.9 Ų62.921%0.20934%0.343CS..  trans-63.9171.3-173.9-57.4176.9000113.1V207 D215 V216 Y219 R259 R263V207-L210 PolarHBondContact O-N 3.37Å; L210-D215 HydrophobicContact CB-CB 4.03Å; L210-D215 HydrophobicContact CD1-CB 4.42Å; L210-D215 HydrophobicContact CD2-CB 4.36Å; L210-D215 HydrophobicContact CG-CB 4.5Å; L210-V216 HydrophobicContact CB-CG2 4.27Å; L210-V216 HydrophobicContact CD1-CB 4.42Å; L210-V216 HydrophobicContact CD1-CG2 3.95Å; L210-Y219 HydrophobicContact CD1-CG 4.24Å; L210-R259 PolarHBondContact O-NE 2.86Å; L210-R259 PolarHBondContact O-NH1 2.9Å; L210-R259 PolarHBondContact O-NH2 2.97Å; L210-R263 PolarHBondContact O-NH2 3.41Å
211S79.5Confident82.5Confident60 Ų6062.2 Ų62.242%0.4233%0.332SS..  trans-103.5-64.3179.321.90000112.8D215 R259S211-D215 WeakPolarHBondContact CB-OD2 2.99Å; S211-D215 PolarHBondContact N-OD2 2.97Å; S211-D215 PolarHBondContact OG-OD2 3.4Å; S211-R259 WeakPolarHBondContact O-CD 3.36Å; S211-R259 PolarHBondContact O-NH1 3.47Å
212T87.6Confident82.9Confident37 Ų3762.7 Ų62.723%0.22734%0.342CS..SBendtrans-103.1165.3-168.767.10000112.3E214 D215 V216 N256T212-E214 PolarHBondContact O-N 3.4Å; T212-E214 WeakPolarHBondContact OG1-CB 3.05Å; T212-E214 PolarHBondContact OG1-N 3.24Å; T212-D215 PolarHBondContact N-OD2 2.94Å; T212-D215 PolarHBondContact O-N 2.79Å; T212-D215 PolarHBondContact OG1-N 3.01Å; T212-D215 PolarHBondContact OG1-OD1 2.03Å; T212-D215 PolarHBondContact OG1-OD2 3.18Å; T212-V216 WeakPolarHBondContact O-CG2 3.44Å; T212-V216 PolarHBondContact O-N 3.26Å; T212-N256 VanDerWaalsContact CA-OD1 3.23Å; T212-N256 WeakPolarHBondContact CA-OD1 3.39Å
213V86.2Confident83.3Confident27 Ų2764.9 Ų64.916%0.16435%0.352CS..Hα-helixtrans-58.2-36.7166.71770000110.8D215 V216 M217 L255 N256V213-D215 VanDerWaalsContact C-N 3.35Å; V213-D215 PolarHBondContact O-N 2.86Å; V213-V216 PolarHBondContact O-N 3Å; V213-M217 HydrophobicContact CG1-CG 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.47Å; V213-M217 PolarHBondContact O-N 3.45Å; V213-L255 HydrophobicContact CG2-CB 3.72Å; V213-L255 HydrophobicContact CG2-CD1 4.05Å; V213-L255 HydrophobicContact CG2-CG 4.47Å; V213-N256 PolarHBondContact N-OD1 3.26Å
214E86.9Confident83.5Confident81 Ų8169.3 Ų69.338%0.37937%0.366SS..Hα-helixtrans-59.3-45.9176-60.4178.7-146.400111.7T212 V216 M217 K218 M229T212-E214 PolarHBondContact O-N 3.4Å; T212-E214 WeakPolarHBondContact OG1-CB 3.05Å; T212-E214 PolarHBondContact OG1-N 3.24Å; E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 2.97Å; E214-M217 PolarHBondContact O-N 3.12Å; E214-K218 HydrophobicContact CB-CD 4.4Å; E214-K218 VanDerWaalsContact O-CB 3.28Å; E214-K218 WeakPolarHBondContact O-CB 3.21Å; E214-K218 WeakPolarHBondContact O-CD 3.33Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 3.47Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 3.1Å; E214-M229 HydrophobicContact CB-SD 4.12Å; E214-M229 HydrophobicContact CG-CE 3.66Å; E214-M229 HydrophobicContact CG-SD 3.67Å
215D87.2Confident83.9Confident43 Ų4367.9 Ų67.923%0.2335%0.354CS..Hα-helixtrans-60.3-40.8179.5-54.9-35000110.7L210 S211 T212 V213 Y219L210-D215 HydrophobicContact CB-CB 4.03Å; L210-D215 HydrophobicContact CD1-CB 4.42Å; L210-D215 HydrophobicContact CD2-CB 4.36Å; L210-D215 HydrophobicContact CG-CB 4.5Å; S211-D215 WeakPolarHBondContact CB-OD2 2.99Å; S211-D215 PolarHBondContact N-OD2 2.97Å; S211-D215 PolarHBondContact OG-OD2 3.4Å; T212-D215 PolarHBondContact N-OD2 2.94Å; T212-D215 PolarHBondContact O-N 2.79Å; T212-D215 PolarHBondContact OG1-N 3.01Å; T212-D215 PolarHBondContact OG1-OD1 2.03Å; T212-D215 PolarHBondContact OG1-OD2 3.18Å; V213-D215 VanDerWaalsContact C-N 3.35Å; V213-D215 PolarHBondContact O-N 2.86Å; D215-Y219 VanDerWaalsContact O-CB 3.32Å; D215-Y219 WeakPolarHBondContact O-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.82Å
216V89.2Confident84.1Confident25 Ų2565.3 Ų65.315%0.15234%0.342CS..Hα-helixtrans-64.4-49.2177.1177.20000110.8V207 L210 T212 V213 E214 K218 Y219 L220V207-V216 HydrophobicContact CG1-CG1 4.13Å; V207-V216 HydrophobicContact CG1-CG2 4.04Å; V207-V216 HydrophobicContact CG2-CG1 4.28Å; L210-V216 HydrophobicContact CB-CG2 4.27Å; L210-V216 HydrophobicContact CD1-CB 4.42Å; L210-V216 HydrophobicContact CD1-CG2 3.95Å; T212-V216 WeakPolarHBondContact O-CG2 3.44Å; T212-V216 PolarHBondContact O-N 3.26Å; V213-V216 PolarHBondContact O-N 3Å; E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 2.97Å; V216-K218 PolarHBondContact O-N 3.19Å; V216-Y219 PolarHBondContact O-N 2.77Å; V216-L220 HydrophobicContact CG1-CD1 3.77Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 3.35Å
217M87.8Confident84.4Confident35 Ų3567 Ų6717%0.17235%0.348CS..Hα-helixtrans-66-40179.8-60.2-54.5-67.300111.6V213 E214 Y219 L220 E221 W225 D228 M229 L232V213-M217 HydrophobicContact CG1-CG 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.47Å; V213-M217 PolarHBondContact O-N 3.45Å; E214-M217 PolarHBondContact O-N 3.12Å; M217-Y219 VanDerWaalsContact C-N 3.28Å; M217-Y219 PolarHBondContact O-N 2.62Å; M217-L220 PolarHBondContact O-N 2.88Å; M217-E221 CarbonylContact O-C 3.58Å; M217-E221 PolarHBondContact O-N 3.33Å; M217-W225 VanDerWaalsContact C-CB 3.49Å; M217-W225 HydrophobicContact CB-CB 3.68Å; M217-D228 HydrophobicContact CE-CB 3.44Å; M217-D228 VanDerWaalsContact CE-CB 3.44Å; M217-M229 HydrophobicContact CB-CG 4.39Å; M217-M229 HydrophobicContact CG-CG 4.04Å; M217-L232 HydrophobicContact CE-CD1 4.33Å; M217-L232 HydrophobicContact SD-CD1 4.33Å
218K86.3Confident84.2Confident68 Ų6866.6 Ų66.630%0.29634%0.344SS..Hα-helixtrans-62.2-32173.7-71.1162.9-167.4163.10112.8E214 V216 P222 W225E214-K218 HydrophobicContact CB-CD 4.4Å; E214-K218 VanDerWaalsContact O-CB 3.28Å; E214-K218 WeakPolarHBondContact O-CB 3.21Å; E214-K218 WeakPolarHBondContact O-CD 3.33Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 3.47Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 3.1Å; V216-K218 PolarHBondContact O-N 3.19Å; K218-P222 WeakPolarHBondContact O-CA 3.35Å; K218-P222 WeakPolarHBondContact O-CB 3.39Å; K218-P222 VanDerWaalsContact O-CG 3.27Å; K218-P222 WeakPolarHBondContact O-CG 3.45Å; K218-W225 HydrophobicContact CB-CG 4.49Å; K218-W225 HydrophobicContact CD-CD2 4.39Å; K218-W225 HydrophobicContact CD-CE3 4.48Å; K218-W225 HydrophobicContact CD-CZ2 4.41Å; K218-W225 HydrophobicContact CG-CB 4.4Å; K218-W225 HydrophobicContact CG-CD2 3.49Å; K218-W225 VanDerWaalsContact CG-CD2 3.49Å; K218-W225 HydrophobicContact CG-CE3 3.92Å; K218-W225 HydrophobicContact CG-CG 3.72Å; K218-W225 HydrophobicContact CG-CZ2 4.22Å; K218-W225 HydrophobicContact CG-CZ3 4.44Å
219Y86.3Confident84.3Confident65 Ų6565.1 Ų65.126%0.25533%0.328SS..Hα-helixtrans-76.6-42.2176.4-178-99.3000112.2P195 A206 V207 L210 D215 V216 M217P195-Y219 HydrophobicContact CB-CE1 4.38Å; A206-Y219 HydrophobicContact CB-CE1 3.67Å; A206-Y219 WeakPolarHBondContact CB-OH 3.33Å; V207-Y219 HydrophobicContact CG2-CD1 4.47Å; L210-Y219 HydrophobicContact CD1-CG 4.24Å; D215-Y219 VanDerWaalsContact O-CB 3.32Å; D215-Y219 WeakPolarHBondContact O-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.82Å; V216-Y219 PolarHBondContact O-N 2.77Å; M217-Y219 VanDerWaalsContact C-N 3.28Å; M217-Y219 PolarHBondContact O-N 2.62Å
220L85.8Confident84.3Confident62 Ų6264.5 Ų64.533%0.32532%0.317SS..Hα-helixtrans-75.5-51.2-176.7-65.4175.1000112.8L203 V207 V216 M217L203-L220 HydrophobicContact CD1-CD2 3.76Å; L203-L220 HydrophobicContact CD2-CD2 3.92Å; L203-L220 HydrophobicContact CG-CD2 4Å; V207-L220 HydrophobicContact CG2-CD2 4.4Å; V216-L220 HydrophobicContact CG1-CD1 3.77Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 3.35Å; M217-L220 PolarHBondContact O-N 2.88Å
221E85.8Confident84Confident101 Ų10169.1 Ų69.147%0.47234%0.337SS..  trans-13178178-68.2-161.7-148.500111.1M217 E223 R224 W225M217-E221 CarbonylContact O-C 3.58Å; M217-E221 PolarHBondContact O-N 3.33Å; E221-E223 PolarHBondContact O-N 3.42Å; E221-R224 HydrophobicContact CB-CB 4.14Å; E221-R224 PolarHBondContact O-N 3.29Å; E221-W225 PolarHBondContact O-N 2.83Å
222P83.4Confident83.5Confident85 Ų8571.6 Ų71.655%0.55235%0.345SS*.THydrogen-bonded Turntrans-56-23.5-176.4-21.527.4000115K218K218-P222 WeakPolarHBondContact O-CA 3.35Å; K218-P222 WeakPolarHBondContact O-CB 3.39Å; K218-P222 VanDerWaalsContact O-CG 3.27Å; K218-P222 WeakPolarHBondContact O-CG 3.45Å
223E80.3Confident82.6Confident126 Ų12676.5 Ų76.559%0.58936%0.361SS*.THydrogen-bonded Turntrans-95.1-7.2-178.5-68-69.9-166.800114K151 E221K151-E223 VanDerWaalsContact CD-OE2 3.26Å; K151-E223 WeakPolarHBondContact CD-OE2 3.11Å; K151-E223 WeakPolarHBondContact CE-OE2 3.5Å; K151-E223 IonicContact NZ-OE1 2.71Å; K151-E223 PolarHBondContact NZ-OE1 2.96Å; K151-E223 IonicContact NZ-OE2 3.56Å; K151-E223 PolarHBondContact NZ-OE2 3.23Å; E221-E223 PolarHBondContact O-N 3.42Å
224R84.2Confident81.6Confident141 Ų14180.3 Ų80.353%0.53238%0.375SS..THydrogen-bonded Turntrans-132.9-17.9-172.3-148.2179.8-165.4-160.8-1.6115.9E221 Q226 L227 D228E221-R224 HydrophobicContact CB-CB 4.14Å; E221-R224 PolarHBondContact O-N 3.29Å; R224-Q226 PolarHBondContact O-N 2.04Å; R224-L227 HydrophobicContact CG-CB 4.39Å; R224-L227 HydrophobicContact CG-CD1 4.22Å; R224-L227 PolarHBondContact O-N 3.26Å; R224-D228 WeakPolarHBondContact CB-OD2 3.24Å; R224-D228 PolarHBondContact O-N 2.76Å
225W85.3Confident80.2Confident61 Ų6181 Ų8123%0.23139%0.386CS..Hα-helixtrans-42-32.4-173.472.2-86.1000116.9M217 K218 E221 D228 M229M217-W225 VanDerWaalsContact C-CB 3.49Å; M217-W225 HydrophobicContact CB-CB 3.68Å; K218-W225 HydrophobicContact CB-CG 4.49Å; K218-W225 HydrophobicContact CD-CD2 4.39Å; K218-W225 HydrophobicContact CD-CE3 4.48Å; K218-W225 HydrophobicContact CD-CZ2 4.41Å; K218-W225 HydrophobicContact CG-CB 4.4Å; K218-W225 HydrophobicContact CG-CD2 3.49Å; K218-W225 VanDerWaalsContact CG-CD2 3.49Å; K218-W225 HydrophobicContact CG-CE3 3.92Å; K218-W225 HydrophobicContact CG-CG 3.72Å; K218-W225 HydrophobicContact CG-CZ2 4.22Å; K218-W225 HydrophobicContact CG-CZ3 4.44Å; E221-W225 PolarHBondContact O-N 2.83Å; W225-D228 WeakPolarHBondContact CA-OD2 3.31Å; W225-D228 PolarHBondContact N-OD2 3.27Å; W225-M229 HydrophobicContact CE3-SD 3.87Å; W225-M229 HydrophobicContact CZ3-SD 4.09Å; W225-M229 VanDerWaalsContact O-CB 3.31Å; W225-M229 WeakPolarHBondContact O-CB 3.3Å; W225-M229 VanDerWaalsContact O-CG 3.28Å; W225-M229 WeakPolarHBondContact O-CG 3.31Å; W225-M229 PolarHBondContact O-N 2.99Å
226Q81.3Confident78.6Confident76 Ų7684.2 Ų84.236%0.35541%0.408SS..Hα-helixtrans-66.1-48.9176.7-63.4-170.5-26.600112.3S148 R224 D228 M229 E230S148-Q226 PolarHBondContact OG-OE1 2.78Å; R224-Q226 PolarHBondContact O-N 2.04Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 3.04Å; Q226-M229 PolarHBondContact O-N 2.5Å; Q226-E230 WeakPolarHBondContact O-CG 3.14Å; Q226-E230 PolarHBondContact O-N 3.29Å
227L84.1Confident76.7Confident62 Ų6294.1 Ų94.133%0.32544%0.443SS..Hα-helixtrans-65.1-40.2178.8-64.1173.4000110.7R224 E230 E231R224-L227 HydrophobicContact CG-CB 4.39Å; R224-L227 HydrophobicContact CG-CD1 4.22Å; R224-L227 PolarHBondContact O-N 3.26Å; L227-E230 PolarHBondContact O-N 2.81Å; L227-E231 PolarHBondContact O-N 3.13Å
228D80.4Confident75Confident27 Ų2799.1 Ų99.114%0.14447%0.465CS..Hα-helixtrans-67.2-38.8179-47.1-43.7000111M217 R224 W225 Q226 E231 L232M217-D228 HydrophobicContact CE-CB 3.44Å; M217-D228 VanDerWaalsContact CE-CB 3.44Å; R224-D228 WeakPolarHBondContact CB-OD2 3.24Å; R224-D228 PolarHBondContact O-N 2.76Å; W225-D228 WeakPolarHBondContact CA-OD2 3.31Å; W225-D228 PolarHBondContact N-OD2 3.27Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 3.04Å; D228-E231 PolarHBondContact O-N 3.16Å; D228-L232 WeakPolarHBondContact O-CB 3.14Å; D228-L232 VanDerWaalsContact O-CG 3.28Å; D228-L232 WeakPolarHBondContact O-CG 3.21Å; D228-L232 PolarHBondContact O-N 3.44Å
229M80.5Confident73.2Confident27 Ų27103 Ų10313%0.13350%0.495CS..Hα-helixtrans-66.8-42.8172.5-80.3-168.66800112.6E214 M217 W225 Q226 E231 L232 Y233E214-M229 HydrophobicContact CB-SD 4.12Å; E214-M229 HydrophobicContact CG-CE 3.66Å; E214-M229 HydrophobicContact CG-SD 3.67Å; M217-M229 HydrophobicContact CB-CG 4.39Å; M217-M229 HydrophobicContact CG-CG 4.04Å; W225-M229 HydrophobicContact CE3-SD 3.87Å; W225-M229 HydrophobicContact CZ3-SD 4.09Å; W225-M229 VanDerWaalsContact O-CB 3.31Å; W225-M229 WeakPolarHBondContact O-CB 3.3Å; W225-M229 VanDerWaalsContact O-CG 3.28Å; W225-M229 WeakPolarHBondContact O-CG 3.31Å; W225-M229 PolarHBondContact O-N 2.99Å; Q226-M229 PolarHBondContact O-N 2.5Å; M229-E231 PolarHBondContact O-N 2.84Å; M229-L232 PolarHBondContact O-N 3.37Å; M229-Y233 HydrophobicContact CE-CE2 3.9Å; M229-Y233 WeakPolarHBondContact O-CD2 3.1Å; M229-Y233 PolarHBondContact O-N 3.18Å; M229-Y233 VanDerWaalsContact O-N 3.12Å
230E77.5Confident71.6Confident105 Ų105105.2 Ų105.249%0.49151%0.51SS..Hα-helixtrans-59.2-38.3172.5-76.5-177.7-167.300111.6Q226 L227 Y233 K234Q226-E230 WeakPolarHBondContact O-CG 3.14Å; Q226-E230 PolarHBondContact O-N 3.29Å; L227-E230 PolarHBondContact O-N 2.81Å; E230-Y233 PolarHBondContact O-N 2.82Å; E230-K234 WeakPolarHBondContact O-CE 3.4Å; E230-K234 VanDerWaalsContact O-CG 3.27Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.17Å; E230-K234 VanDerWaalsContact O-N 3.1Å
231E78.7Confident69.9Low138 Ų138104.2 Ų104.265%0.64551%0.514SS*.Hα-helixtrans-68.8-40.9175.4-167.8163.516400113.1L227 D228 M229 Y233 K234L227-E231 PolarHBondContact O-N 3.13Å; D228-E231 PolarHBondContact O-N 3.16Å; M229-E231 PolarHBondContact O-N 2.84Å; E231-Y233 PolarHBondContact O-N 2.93Å; E231-K234 PolarHBondContact O-N 3.24Å
232L69.8Low68.3Low112 Ų112108.5 Ų108.559%0.58653%0.532SS*.Hα-helixtrans-60-29.7174.3-75.3167.1000113.4M217 D228 M229M217-L232 HydrophobicContact CE-CD1 4.33Å; M217-L232 HydrophobicContact SD-CD1 4.33Å; D228-L232 WeakPolarHBondContact O-CB 3.14Å; D228-L232 VanDerWaalsContact O-CG 3.28Å; D228-L232 WeakPolarHBondContact O-CG 3.21Å; D228-L232 PolarHBondContact O-N 3.44Å; M229-L232 PolarHBondContact O-N 3.37Å
233Y67.4Low66.9Low139 Ų139109.4 Ų109.455%0.54554%0.54SS..Hα-helixtrans-96.5-5.6177.1-69-65.3000114.9M229 E230 E231M229-Y233 HydrophobicContact CE-CE2 3.9Å; M229-Y233 WeakPolarHBondContact O-CD2 3.1Å; M229-Y233 PolarHBondContact O-N 3.18Å; M229-Y233 VanDerWaalsContact O-N 3.12Å; E230-Y233 PolarHBondContact O-N 2.82Å; E231-Y233 PolarHBondContact O-N 2.93Å
234K66.5Low65.4Low107 Ų107109.7 Ų109.747%0.46554%0.539SS..SBendtrans-63.7129.8174.7-85160.4-151.5156.50110.3E230 E231 T236E230-K234 WeakPolarHBondContact O-CE 3.4Å; E230-K234 VanDerWaalsContact O-CG 3.27Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.17Å; E230-K234 VanDerWaalsContact O-N 3.1Å; E231-K234 PolarHBondContact O-N 3.24Å; K234-T236 PolarHBondContact O-N 3.17Å
235P56.8Low63.8Low95 Ų95109 Ų10962%0.61755%0.545SS*.  trans-67.9102.5-17826.9-33.8000110.6W237P235-W237 PolarHBondContact O-N 3.08Å
236T53.2Low62Low112 Ų112114.1 Ų114.169%0.68758%0.576SS**  trans-73.297-178.95.50000110.4K234 H238K234-T236 PolarHBondContact O-N 3.17Å; T236-H238 PolarHBondContact O-N 3.13Å
237W49.2Very low60.2Low233 Ų233117.4 Ų117.488%0.88360%0.596SS**  trans-71.451.3179.8-67.1106.4000114.2P235P235-W237 PolarHBondContact O-N 3.08Å
238H52.6Low58.3Low140 Ų140125.6 Ų125.665%0.64862%0.623SS**  trans-65.4136.9163.8-69.8101.4000109.8T236 L240T236-H238 PolarHBondContact O-N 3.13Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.4Å
239V48.1Very low56.6Low150 Ų150132.4 Ų132.491%0.90965%0.651SS**  trans-74.579.4-178-174.80000110.1G241V239-G241 PolarHBondContact O-N 2.81Å
240L52.2Low54.9Low111 Ų111135.2 Ų135.258%0.58168%0.679SS**  trans-67.6124.9177.2-66.6176.7000110.5H238 F244H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.4Å; L240-F244 HydrophobicContact CB-CB 4.15Å; L240-F244 HydrophobicContact CB-CD2 4.23Å; L240-F244 HydrophobicContact CB-CG 4.09Å; L240-F244 HydrophobicContact CD1-CD1 4.15Å; L240-F244 HydrophobicContact CD1-CG 4.4Å; L240-F244 HydrophobicContact CD2-CD1 4.25Å; L240-F244 HydrophobicContact CD2-CD2 4.33Å; L240-F244 HydrophobicContact CD2-CE1 4.12Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CG 4.35Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å
241G50.7Low53.7Low40 Ų40141.9 Ų141.941%0.41270%0.699SS.*  trans-60.4152.7-179.500000112.8V239 S243 F244V239-G241 PolarHBondContact O-N 2.81Å; G241-S243 PolarHBondContact O-N 2.03Å; G241-F244 WeakPolarHBondContact O-CB 3.49Å; G241-F244 PolarHBondContact O-N 2.99Å
242K53Low52.7Low192 Ų192138.6 Ų138.684%0.83570%0.702SS**G310 helixtrans-54.9-19.6-171-64.5-179.2179179.40115.2F244 I245K242-F244 VanDerWaalsContact C-N 3.29Å; K242-F244 PolarHBondContact O-N 2.66Å; K242-I245 HydrophobicContact CB-CD1 4.4Å; K242-I245 PolarHBondContact O-N 3.45Å
243S52.6Low52.4Low104 Ų104135.4 Ų135.473%0.72769%0.692SS**G310 helixtrans-64.2-24.7171.941.90000114.5G241 I245G241-S243 PolarHBondContact O-N 2.03Å; S243-I245 VanDerWaalsContact C-N 3.29Å; S243-I245 PolarHBondContact O-N 2.03Å
244F49.3Very low53Low131 Ų131132.7 Ų132.758%0.57569%0.687SS**G310 helixtrans-70.9-21.2176.7-84.9-98.8000113.7L240 G241 K242 L246 N247L240-F244 HydrophobicContact CB-CB 4.15Å; L240-F244 HydrophobicContact CB-CD2 4.23Å; L240-F244 HydrophobicContact CB-CG 4.09Å; L240-F244 HydrophobicContact CD1-CD1 4.15Å; L240-F244 HydrophobicContact CD1-CG 4.4Å; L240-F244 HydrophobicContact CD2-CD1 4.25Å; L240-F244 HydrophobicContact CD2-CD2 4.33Å; L240-F244 HydrophobicContact CD2-CE1 4.12Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CG 4.35Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å; G241-F244 WeakPolarHBondContact O-CB 3.49Å; G241-F244 PolarHBondContact O-N 2.99Å; K242-F244 VanDerWaalsContact C-N 3.29Å; K242-F244 PolarHBondContact O-N 2.66Å; F244-L246 VanDerWaalsContact C-N 3.31Å; F244-L246 PolarHBondContact O-N 3.39Å; F244-N247 PolarHBondContact O-N 2.9Å
245I50Low53.8Low127 Ų127132.3 Ų132.365%0.65169%0.69SS**G310 helixtrans-70.5-26.8-168.2-59.3175.4000112.5K242 S243 N247K242-I245 HydrophobicContact CB-CD1 4.4Å; K242-I245 PolarHBondContact O-N 3.45Å; S243-I245 VanDerWaalsContact C-N 3.29Å; S243-I245 PolarHBondContact O-N 2.03Å; I245-N247 PolarHBondContact O-N 3.01Å
246L48.8Very low55.1Low168 Ų168130 Ų13088%0.8867%0.673SS**G310 helixtrans-74.7-20-177.5-88.2166.7000114.5F244F244-L246 VanDerWaalsContact C-N 3.31Å; F244-L246 PolarHBondContact O-N 3.39Å
247N43.2Very low56.6Low146 Ų146129.3 Ų129.378%0.78166%0.664SS**SBendtrans-118.666.4-179.1-144.21.9000110F244 I245 K249F244-N247 PolarHBondContact O-N 2.9Å; I245-N247 PolarHBondContact O-N 3.01Å; N247-K249 PolarHBondContact O-N 3.01Å
248R44Very low58.1Low233 Ų233122.2 Ų122.288%0.87964%0.641SS**  trans-68.672.8-178.4-166.1-175.1-168.2-176.14.7111.2A250R248-A250 PolarHBondContact O-N 3.29Å
249K45.2Very low59.6Low171 Ų171118.5 Ų118.574%0.74362%0.621SS**  trans-50.3127.1150.5-89.8-169.6171.9-1740106.4N247N247-K249 PolarHBondContact O-N 3.01Å
250A45.3Very low61.2Low86 Ų86115.9 Ų115.971%0.71160%0.599SS**  trans-62175.5168.500000109.8R248R248-A250 PolarHBondContact O-N 3.29Å
251R51.8Low62.6Low244 Ų244115.4 Ų115.492%0.92159%0.594SS**SBendtrans-32.3140.8174.5-60.6170.3-179.9162.1-4.1112
252G57Low64.1Low69 Ų69116.6 Ų116.671%0.71159%0.593SS**SBendtrans-28.8128.8-167.900000115.2D254G252-D254 PolarHBondContact O-N 2.88Å
253A64.6Low65.4Low46 Ų46111.8 Ų111.838%0.3857%0.569SS.*  trans-55.4128.1-170.300000111.6L255A253-L255 PolarHBondContact O-N 3.39Å
254D79.6Confident66.6Low81 Ų81112 Ų11243%0.43356%0.562SS.*  trans-60.8106.9-179.4179.7-10.1000110.3G252 N256 L257 Q258G252-D254 PolarHBondContact O-N 2.88Å; D254-N256 VanDerWaalsContact C-N 3.29Å; D254-N256 PolarHBondContact O-N 2.86Å; D254-N256 WeakPolarHBondContact OD1-CA 3.28Å; D254-N256 VanDerWaalsContact OD1-CB 3.29Å; D254-N256 WeakPolarHBondContact OD1-CB 3.31Å; D254-N256 PolarHBondContact OD1-N 3.36Å; D254-L257 HydrophobicContact CB-CB 3.86Å; D254-L257 PolarHBondContact O-N 3.17Å; D254-L257 PolarHBondContact OD1-N 3.47Å; D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 2.9Å
255L82.5Confident68.1Low99 Ų99113 Ų11352%0.51856%0.563SS.*Hα-helixtrans-70.8-26.1-177.5-58.3179.3000112V213 A253 R259V213-L255 HydrophobicContact CG2-CB 3.72Å; V213-L255 HydrophobicContact CG2-CD1 4.05Å; V213-L255 HydrophobicContact CG2-CG 4.47Å; A253-L255 PolarHBondContact O-N 3.39Å; L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.43Å
256N84.7Confident69.7Low48 Ų48107.8 Ų107.826%0.25754%0.538SS..Hα-helixtrans-70.1-47.8174.4-56.9-42.5000109.5T212 V213 D254 Q258 R259 E260T212-N256 VanDerWaalsContact CA-OD1 3.23Å; T212-N256 WeakPolarHBondContact CA-OD1 3.39Å; V213-N256 PolarHBondContact N-OD1 3.26Å; D254-N256 VanDerWaalsContact C-N 3.29Å; D254-N256 PolarHBondContact O-N 2.86Å; D254-N256 WeakPolarHBondContact OD1-CA 3.28Å; D254-N256 VanDerWaalsContact OD1-CB 3.29Å; D254-N256 WeakPolarHBondContact OD1-CB 3.31Å; D254-N256 PolarHBondContact OD1-N 3.36Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3Å; N256-R259 PolarHBondContact O-N 3.02Å; N256-R259 VanDerWaalsContact O-N 3.17Å; N256-E260 PolarHBondContact O-N 2.64Å
257L84.1Confident71.7Confident97 Ų97100.6 Ų100.651%0.50850%0.501SS..Hα-helixtrans-59.4-42.8174.6-179.661.5000111.5D254 R259 E260 E261D254-L257 HydrophobicContact CB-CB 3.86Å; D254-L257 PolarHBondContact O-N 3.17Å; D254-L257 PolarHBondContact OD1-N 3.47Å; L257-R259 PolarHBondContact O-N 3.4Å; L257-E260 PolarHBondContact O-N 3.32Å; L257-E261 WeakPolarHBondContact O-CG 3.35Å; L257-E261 PolarHBondContact O-N 3.34Å
258Q81.8Confident74Confident84 Ų8495.3 Ų95.339%0.39348%0.475SS..Hα-helixtrans-63.1-38.5175.4-73.5-173.6-17.600112.7D254 N256 V262D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 2.9Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3Å; Q258-V262 WeakPolarHBondContact O-CB 3.48Å; Q258-V262 VanDerWaalsContact O-CG2 3.28Å; Q258-V262 WeakPolarHBondContact O-CG2 3Å; Q258-V262 PolarHBondContact O-N 2.97Å
259R83Confident76.5Confident61 Ų6186.2 Ų86.223%0.2345%0.446CS..Hα-helixtrans-63.4-41.7174.5-163.3-173.8-162148.46.6111.4V207 A208 L210 S211 L255 N256 L257 V262 R263V207-R259 PolarHBondContact O-NH2 3.15Å; A208-R259 PolarHBondContact O-NH2 3.42Å; L210-R259 PolarHBondContact O-NE 2.86Å; L210-R259 PolarHBondContact O-NH1 2.9Å; L210-R259 PolarHBondContact O-NH2 2.97Å; S211-R259 WeakPolarHBondContact O-CD 3.36Å; S211-R259 PolarHBondContact O-NH1 3.47Å; L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.43Å; N256-R259 PolarHBondContact O-N 3.02Å; N256-R259 VanDerWaalsContact O-N 3.17Å; L257-R259 PolarHBondContact O-N 3.4Å; R259-V262 PolarHBondContact O-N 2.96Å; R259-R263 WeakPolarHBondContact O-CB 3.37Å; R259-R263 WeakPolarHBondContact O-CG 3Å; R259-R263 PolarHBondContact O-N 2.69Å
260E81.3Confident78.8Confident96 Ų9681.8 Ų81.845%0.44942%0.424SS..Hα-helixtrans-72-36.9178.7-69.8-53.312800113.3N256 L257 R263 L264N256-E260 PolarHBondContact O-N 2.64Å; L257-E260 PolarHBondContact O-N 3.32Å; E260-R263 PolarHBondContact O-N 2.81Å; E260-R263 WeakPolarHBondContact OE1-CD 3.42Å; E260-R263 IonicContact OE1-CZ 3.82Å; E260-R263 IonicContact OE1-NE 3.18Å; E260-R263 IonicContact OE1-NH1 2.8Å; E260-R263 PolarHBondContact OE1-NH1 3.42Å; E260-L264 WeakPolarHBondContact O-CB 3.27Å; E260-L264 PolarHBondContact O-N 3.32Å
261E83Confident81.1Confident101 Ų10182.8 Ų82.847%0.47242%0.417SS..Hα-helixtrans-59-47.2168.9-75-173.915800110.9L257 R263 L264 Y265L257-E261 WeakPolarHBondContact O-CG 3.35Å; L257-E261 PolarHBondContact O-N 3.34Å; E261-R263 PolarHBondContact O-N 2.96Å; E261-L264 PolarHBondContact O-N 2.71Å; E261-Y265 WeakPolarHBondContact O-CD2 3.28Å; E261-Y265 PolarHBondContact O-N 3.46Å; E261-Y265 VanDerWaalsContact O-N 3.09Å
262V82.4Confident83.2Confident65 Ų6576.4 Ų76.439%0.39439%0.394SS..Hα-helixtrans-63.7-41.5177.8171.70000111.4Q258 R259 Y265 S266 C303Q258-V262 WeakPolarHBondContact O-CB 3.48Å; Q258-V262 VanDerWaalsContact O-CG2 3.28Å; Q258-V262 WeakPolarHBondContact O-CG2 3Å; Q258-V262 PolarHBondContact O-N 2.97Å; R259-V262 PolarHBondContact O-N 2.96Å; V262-Y265 PolarHBondContact O-N 2.63Å; V262-S266 VanDerWaalsContact O-CB 3.27Å; V262-S266 WeakPolarHBondContact O-CB 3.46Å; V262-S266 PolarHBondContact O-N 2.88Å; V262-S266 PolarHBondContact O-OG 3.44Å; V262-C303 WeakPolarHBondContact CG1-SG 3.39Å
263R78.4Confident85.1Confident90 Ų9077.7 Ų77.734%0.3439%0.392SS..Hα-helixtrans-59.6-46.4173.8-80.8170.6163.7165.3-0.1111.9L210 R259 E260 E261 Y265 S266L210-R263 PolarHBondContact O-NH2 3.41Å; R259-R263 WeakPolarHBondContact O-CB 3.37Å; R259-R263 WeakPolarHBondContact O-CG 3Å; R259-R263 PolarHBondContact O-N 2.69Å; E260-R263 PolarHBondContact O-N 2.81Å; E260-R263 WeakPolarHBondContact OE1-CD 3.42Å; E260-R263 IonicContact OE1-CZ 3.82Å; E260-R263 IonicContact OE1-NE 3.18Å; E260-R263 IonicContact OE1-NH1 2.8Å; E260-R263 PolarHBondContact OE1-NH1 3.42Å; E261-R263 PolarHBondContact O-N 2.96Å; R263-Y265 VanDerWaalsContact C-N 3.33Å; R263-Y265 PolarHBondContact O-N 3.32Å; R263-S266 PolarHBondContact O-N 3.42Å
264L78.3Confident86.6Confident110 Ų11076.3 Ų76.358%0.57638%0.379SS*.Hα-helixtrans-59.8-41.7179.1-178.663.7000112.3E260 E261 T268 R270E260-L264 WeakPolarHBondContact O-CB 3.27Å; E260-L264 PolarHBondContact O-N 3.32Å; E261-L264 PolarHBondContact O-N 2.71Å; L264-T268 PolarHBondContact O-OG1 3.32Å; L264-R270 PolarHBondContact O-NH2 2.99Å
265Y80.1Confident87.4Confident150 Ų15073.6 Ų73.659%0.58837%0.367SS*.Hα-helixtrans-87.1-7.6179.9-62.8-59.2000114.9E261 V262 R263 R270 N300E261-Y265 WeakPolarHBondContact O-CD2 3.28Å; E261-Y265 PolarHBondContact O-N 3.46Å; E261-Y265 VanDerWaalsContact O-N 3.09Å; V262-Y265 PolarHBondContact O-N 2.63Å; R263-Y265 VanDerWaalsContact C-N 3.33Å; R263-Y265 PolarHBondContact O-N 3.32Å; Y265-R270 PolarHBondContact O-NH2 2.92Å; Y265-N300 PolarHBondContact O-OD1 3.47Å
266S84.7Confident88.1Confident18 Ų1868.9 Ų68.913%0.12634%0.342CS..BIsolated β-bridgetrans-77.4-171.4168.7-65.20000112.5V262 R263 T268 R270 N300V262-S266 VanDerWaalsContact O-CB 3.27Å; V262-S266 WeakPolarHBondContact O-CB 3.46Å; V262-S266 PolarHBondContact O-N 2.88Å; V262-S266 PolarHBondContact O-OG 3.44Å; R263-S266 PolarHBondContact O-N 3.42Å; S266-T268 PolarHBondContact O-N 3.3Å; S266-T268 PolarHBondContact O-OG1 2.89Å; S266-R270 PolarHBondContact O-NH2 3.44Å; S266-N300 CarbonylContact C-O 3.59Å; S266-N300 WeakPolarHBondContact CA-O 3.09Å
267C90.6Very high88.6Confident18 Ų1871.5 Ų71.512%0.12235%0.348CS..SBendtrans-56104.4-177.9-178.10000114.1N300 C313 S353 C354C267-N300 PolarHBondContact N-O 2.78Å; C267-C313 WeakPolarHBondContact CA-SG 3.34Å; C267-C313 HydrophobicContact CB-CB 3.65Å; C267-C313 WeakPolarHBondContact CB-SG 3.34Å; C267-C313 WeakPolarHBondContact SG-CA 3.28Å; C267-C313 WeakPolarHBondContact SG-CB 3.3Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.34Å; C267-S353 PolarHBondContact SG-O 3.46Å; C267-S353 VanDerWaalsContact SG-O 3.39Å; C267-C354 WeakPolarHBondContact CB-SG 3.43Å
268T92.2Very high89Confident35 Ų3573.3 Ų73.322%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-141.6159.3-174.351.40000113.4L264 S266 R270 G298L264-T268 PolarHBondContact O-OG1 3.32Å; S266-T268 PolarHBondContact O-N 3.3Å; S266-T268 PolarHBondContact O-OG1 2.89Å; T268-R270 PolarHBondContact O-N 2.87Å; T268-R270 VanDerWaalsContact O-N 3.14Å; T268-R270 PolarHBondContact OG1-NE 3.44Å; T268-R270 VanDerWaalsContact OG1-NE 3.08Å; T268-R270 PolarHBondContact OG1-NH2 2.71Å; T268-G298 PolarHBondContact N-O 3.42Å; T268-G298 PolarHBondContact O-N 3.25Å
269P95Very high89.6Confident42 Ų4272.6 Ų72.627%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-68.8100.4173.3-20.732.8000113.5K295 E350P269-K295 HydrophobicContact CB-CD 4.21Å; P269-K295 PolarHBondContact O-NZ 2.85Å; P269-E350 VanDerWaalsContact CG-O 3.3Å; P269-E350 WeakPolarHBondContact CG-O 3.44Å
270R93.7Very high90.1Very high78 Ų7872.3 Ų72.329%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-106.4158.2-176-64.8178.6-166.9-162.27.2112.5L264 Y265 S266 T268 Y272 K295 R296 G298 G299L264-R270 PolarHBondContact O-NH2 2.99Å; Y265-R270 PolarHBondContact O-NH2 2.92Å; S266-R270 PolarHBondContact O-NH2 3.44Å; T268-R270 PolarHBondContact O-N 2.87Å; T268-R270 VanDerWaalsContact O-N 3.14Å; T268-R270 PolarHBondContact OG1-NE 3.44Å; T268-R270 VanDerWaalsContact OG1-NE 3.08Å; T268-R270 PolarHBondContact OG1-NH2 2.71Å; R270-Y272 HydrophobicContact CB-CD2 4.39Å; R270-Y272 HydrophobicContact CB-CE2 4.01Å; R270-K295 WeakPolarHBondContact O-CA 3.43Å; R270-R296 PolarHBondContact N-O 3.2Å; R270-R296 PolarHBondContact O-N 3.2Å; R270-G298 PolarHBondContact NE-O 3.43Å; R270-G298 PolarHBondContact NH2-O 3.4Å; R270-G299 VanDerWaalsContact NH2-CA 3.33Å
271N94.9Very high90.8Very high106 Ų10676.4 Ų76.457%0.56737%0.37SS*.EExtended strand (participates in β ladder)trans-82.9117.8-179-60.40.8000109.5K295N271-K295 WeakPolarHBondContact OD1-CD 3.37Å; N271-K295 VanDerWaalsContact OD1-CE 3.3Å; N271-K295 WeakPolarHBondContact OD1-CE 3.49Å; N271-K295 PolarHBondContact OD1-NZ 3.13Å
272Y95.4Very high91.1Very high111 Ų11175.9 Ų75.944%0.43536%0.363SS..EExtended strand (participates in β ladder)trans-114.8136.2173.9-79.7-105.5000110.2R270 L293 V294 R296R270-Y272 HydrophobicContact CB-CD2 4.39Å; R270-Y272 HydrophobicContact CB-CE2 4.01Å; Y272-L293 WeakPolarHBondContact O-CA 3.39Å; Y272-V294 PolarHBondContact N-O 2.82Å; Y272-V294 PolarHBondContact O-N 2.73Å; Y272-R296 HydrophobicContact CD2-CB 3.63Å; Y272-R296 HydrophobicContact CD2-CG 4.18Å; Y272-R296 HydrophobicContact CE2-CB 4.03Å; Y272-R296 HydrophobicContact CG-CB 4.12Å; Y272-R296 HydrophobicContact CG-CG 4.19Å
273S96.8Very high91.4Very high96 Ų9677.9 Ų77.967%0.67138%0.376SS*.EExtended strand (participates in β ladder)trans-81.2117.3167.954.60000109.8L292S273-L292 WeakPolarHBondContact CA-O 3.44Å
274V96.6Very high92Very high17 Ų1777.3 Ų77.310%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-117.4142.8-178.9-62.70000111.9E279 C291 L292 V294 L346V274-E279 HydrophobicContact CB-CG 3.83Å; V274-E279 WeakPolarHBondContact CB-OE1 3.23Å; V274-E279 VanDerWaalsContact CG1-OE1 3.3Å; V274-E279 WeakPolarHBondContact CG1-OE1 3.29Å; V274-E279 HydrophobicContact CG2-CG 3.88Å; V274-C291 CarbonylContact O-C 3.49Å; V274-C291 WeakPolarHBondContact O-CA 3.45Å; V274-C291 VanDerWaalsContact O-CB 3.32Å; V274-C291 WeakPolarHBondContact O-CB 3.23Å; V274-L292 PolarHBondContact N-O 3.4Å; V274-L292 PolarHBondContact O-N 3.47Å; V274-V294 HydrophobicContact CB-CG2 4.24Å; V274-V294 HydrophobicContact CG1-CG2 3.56Å; V274-V294 HydrophobicContact CG2-CB 4.3Å; V274-V294 HydrophobicContact CG2-CG1 3.65Å; V274-V294 HydrophobicContact CG2-CG2 3.62Å; V274-L346 HydrophobicContact CG2-CD1 4.41Å
275S96.8Very high92.6Very high24 Ų2472.2 Ų72.217%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-81.4119.9-179.9169.50000110.7R277 E278 E279S275-R277 PolarHBondContact O-N 3.46Å; S275-E278 WeakPolarHBondContact CB-OE1 3.35Å; S275-E278 WeakPolarHBondContact CB-OE2 3.44Å; S275-E278 PolarHBondContact O-N 3.2Å; S275-E278 VanDerWaalsContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CD 3.24Å; S275-E278 PolarHBondContact OG-OE1 3.04Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 3.24Å
276L96Very high93.3Very high0 Ų069.5 Ų69.50%035%0.348CS..Hα-helixtrans-62.8-26.1-179.9-69.1178.2000112.7L280 F287 P289 S290 L292 V325 V344 L346L276-L280 HydrophobicContact CB-CD1 4.41Å; L276-L280 HydrophobicContact CD2-CD1 4.42Å; L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.03Å; L276-L280 PolarHBondContact O-N 3.09Å; L276-F287 HydrophobicContact CB-CB 4.13Å; L276-F287 HydrophobicContact CB-CD2 3.73Å; L276-F287 HydrophobicContact CB-CE2 4.29Å; L276-F287 HydrophobicContact CB-CG 3.95Å; L276-F287 HydrophobicContact CD1-CB 3.63Å; L276-F287 HydrophobicContact CD1-CD1 4.32Å; L276-F287 HydrophobicContact CD1-CG 3.97Å; L276-P289 WeakPolarHBondContact CD1-O 3.16Å; L276-S290 PolarHBondContact N-O 2.84Å; L276-L292 HydrophobicContact CD1-CD1 4.3Å; L276-L292 HydrophobicContact CD1-CG 4.24Å; L276-L292 HydrophobicContact CD2-CD1 4.05Å; L276-L292 HydrophobicContact CD2-CG 4.3Å; L276-L292 HydrophobicContact CG-CG 4.45Å; L276-V325 HydrophobicContact CD1-CG1 3.95Å; L276-V344 HydrophobicContact CD2-CG2 3.95Å; L276-L346 HydrophobicContact CD2-CD1 3.83Å; L276-L346 HydrophobicContact CD2-CD2 4.06Å; L276-L346 HydrophobicContact CD2-CG 4.37Å
277R94.6Very high93.8Very high103 Ų10369.4 Ų69.439%0.38935%0.345SS..Hα-helixtrans-66.4-39.4175169.4164.6-72.9-114.1-12.2112.1S275 K281 R282 T283 V285S275-R277 PolarHBondContact O-N 3.46Å; R277-K281 CarbonylContact O-C 3.6Å; R277-K281 VanDerWaalsContact O-CA 3.31Å; R277-K281 WeakPolarHBondContact O-CA 3.44Å; R277-K281 PolarHBondContact O-N 3.41Å; R277-R282 PolarHBondContact O-N 3.49Å; R277-R282 VanDerWaalsContact O-N 3.11Å; R277-T283 PolarHBondContact NH1-O 2.03Å; R277-T283 PolarHBondContact NH2-O 3.36Å; R277-V285 PolarHBondContact NH2-O 3.47Å
278E94Very high94.1Very high135 Ų13577.2 Ų77.263%0.63137%0.372SS*.Hα-helixtrans-81.7-50.5-179.1-73.9135.3-115.600111.7S275 L280 K281S275-E278 WeakPolarHBondContact CB-OE1 3.35Å; S275-E278 WeakPolarHBondContact CB-OE2 3.44Å; S275-E278 PolarHBondContact O-N 3.2Å; S275-E278 VanDerWaalsContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CD 3.24Å; S275-E278 PolarHBondContact OG-OE1 3.04Å; E278-L280 PolarHBondContact O-N 3.39Å; E278-K281 VanDerWaalsContact O-CG 3.28Å; E278-K281 WeakPolarHBondContact O-CG 3.47Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 VanDerWaalsContact O-N 3.14Å
279E94.5Very high94.3Very high69 Ų6978.1 Ų78.132%0.32238%0.379SS..Hα-helixtrans-55.9-48.5179.1-69.6-75.1177.200111.6V274 S275 R296 L346V274-E279 HydrophobicContact CB-CG 3.83Å; V274-E279 WeakPolarHBondContact CB-OE1 3.23Å; V274-E279 VanDerWaalsContact CG1-OE1 3.3Å; V274-E279 WeakPolarHBondContact CG1-OE1 3.29Å; V274-E279 HydrophobicContact CG2-CG 3.88Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 3.24Å; E279-R296 IonicContact OE1-CZ 3.79Å; E279-R296 IonicContact OE1-NH2 3.8Å; E279-R296 PolarHBondContact OE1-NH2 3.16Å; E279-R296 IonicContact OE2-NH2 3.65Å; E279-R296 PolarHBondContact OE2-NH2 3.28Å; E279-L346 HydrophobicContact CB-CD2 3.98Å; E279-L346 HydrophobicContact CG-CD2 4.34Å
280L93.9Very high94.3Very high55 Ų5579.5 Ų79.529%0.28839%0.389SS..THydrogen-bonded Turntrans-86-9.2-179-53.6172000112.9L276 E278 R282 F287 V344 L346L276-L280 HydrophobicContact CB-CD1 4.41Å; L276-L280 HydrophobicContact CD2-CD1 4.42Å; L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.03Å; L276-L280 PolarHBondContact O-N 3.09Å; E278-L280 PolarHBondContact O-N 3.39Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 HydrophobicContact CB-CG 4.14Å; L280-R282 WeakPolarHBondContact O-CG 3.26Å; L280-R282 PolarHBondContact O-N 3.15Å; L280-F287 HydrophobicContact CD1-CE1 3.89Å; L280-F287 HydrophobicContact CD1-CE2 3.99Å; L280-F287 HydrophobicContact CD1-CZ 3.48Å; L280-F287 VanDerWaalsContact CD1-CZ 3.48Å; L280-V344 HydrophobicContact CD1-CB 3.95Å; L280-V344 HydrophobicContact CD1-CG1 3.58Å; L280-L346 HydrophobicContact CD2-CD2 4.38Å
281K94.8Very high94.5Very high182 Ų18278.6 Ų78.679%0.79139%0.394SS*.THydrogen-bonded Turntrans5739.5-178.2-55.2174.6-175.1173.60113.5R277 E278R277-K281 CarbonylContact O-C 3.6Å; R277-K281 VanDerWaalsContact O-CA 3.31Å; R277-K281 WeakPolarHBondContact O-CA 3.44Å; R277-K281 PolarHBondContact O-N 3.41Å; E278-K281 VanDerWaalsContact O-CG 3.28Å; E278-K281 WeakPolarHBondContact O-CG 3.47Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 VanDerWaalsContact O-N 3.14Å
282R90.4Very high94.6Very high90 Ų9074.9 Ų74.934%0.3437%0.374SS..  trans-117.5114.6-172.6-68-80.9-70.8139.220.8111.8R277 L280 D284 V285 F287R277-R282 PolarHBondContact O-N 3.49Å; R277-R282 VanDerWaalsContact O-N 3.11Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 HydrophobicContact CB-CG 4.14Å; L280-R282 WeakPolarHBondContact O-CG 3.26Å; L280-R282 PolarHBondContact O-N 3.15Å; R282-D284 IonicContact CZ-OD1 2.92Å; R282-D284 IonicContact CZ-OD2 3.26Å; R282-D284 VanDerWaalsContact CZ-OD2 3.26Å; R282-D284 IonicContact NE-OD1 3.64Å; R282-D284 VanDerWaalsContact NH1-CG 3.29Å; R282-D284 IonicContact NH1-OD1 2.89Å; R282-D284 PolarHBondContact NH1-OD1 3.14Å; R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 3.14Å; R282-D284 IonicContact NH2-OD1 2.92Å; R282-D284 PolarHBondContact NH2-OD1 3.06Å; R282-D284 IonicContact NH2-OD2 2.72Å; R282-D284 PolarHBondContact NH2-OD2 3.36Å; R282-V285 HydrophobicContact CB-CG2 3.86Å; R282-F287 HydrophobicContact CB-CE2 4.32Å
283T88.3Confident94.7Very high106 Ų10675 Ų7565%0.6538%0.382SS*.  trans-105.7-19-173.152.10000114.8R277 V285R277-T283 PolarHBondContact NH1-O 2.03Å; R277-T283 PolarHBondContact NH2-O 3.36Å; T283-V285 VanDerWaalsContact C-N 3.34Å
284D89.6Confident94.7Very high79 Ų7970.6 Ų70.642%0.42235%0.351SS..SBendtrans-84.9-2.1-17866-46.2000114.4R282R282-D284 IonicContact CZ-OD1 2.92Å; R282-D284 IonicContact CZ-OD2 3.26Å; R282-D284 VanDerWaalsContact CZ-OD2 3.26Å; R282-D284 IonicContact NE-OD1 3.64Å; R282-D284 VanDerWaalsContact NH1-CG 3.29Å; R282-D284 IonicContact NH1-OD1 2.89Å; R282-D284 PolarHBondContact NH1-OD1 3.14Å; R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 3.14Å; R282-D284 IonicContact NH2-OD1 2.92Å; R282-D284 PolarHBondContact NH2-OD1 3.06Å; R282-D284 IonicContact NH2-OD2 2.72Å; R282-D284 PolarHBondContact NH2-OD2 3.36Å
285V91.4Very high94.7Very high2 Ų273 Ų731%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-132.7156.6-178.5-70.40000111.3R277 R282 T283 F287 L327 R329R277-V285 PolarHBondContact NH2-O 3.47Å; R282-V285 HydrophobicContact CB-CG2 3.86Å; T283-V285 VanDerWaalsContact C-N 3.34Å; V285-F287 HydrophobicContact CG2-CE2 3.83Å; V285-F287 HydrophobicContact CG2-CZ 3.9Å; V285-L327 HydrophobicContact CB-CD1 3.73Å; V285-L327 HydrophobicContact CG1-CD1 4.01Å; V285-L327 HydrophobicContact CG1-CG 4.41Å; V285-L327 HydrophobicContact CG2-CD1 3.95Å; V285-R329 HydrophobicContact CG1-CB 4.13Å; V285-R329 HydrophobicContact CG1-CG 4.22Å
286I94.1Very high94.7Very high94 Ų9474 Ų7448%0.48236%0.36SS..EExtended strand (participates in β ladder)trans-114.5132.2172.5-58.7166.4000106.8L328I286-L328 HydrophobicContact CB-CB 4.23Å; I286-L328 HydrophobicContact CG2-CD1 4.5Å; I286-L328 PolarHBondContact N-O 2.9Å; I286-L328 PolarHBondContact O-N 3.21Å
287F96.3Very high94.7Very high16 Ų1674.9 Ų74.97%0.0737%0.366CS..EExtended strand (participates in β ladder)trans-102.1143.6172.6-60.2-85.9000109.5L276 L280 R282 V285 P289 S290 V325 L326 L327 V344L276-F287 HydrophobicContact CB-CB 4.13Å; L276-F287 HydrophobicContact CB-CD2 3.73Å; L276-F287 HydrophobicContact CB-CE2 4.29Å; L276-F287 HydrophobicContact CB-CG 3.95Å; L276-F287 HydrophobicContact CD1-CB 3.63Å; L276-F287 HydrophobicContact CD1-CD1 4.32Å; L276-F287 HydrophobicContact CD1-CG 3.97Å; L280-F287 HydrophobicContact CD1-CE1 3.89Å; L280-F287 HydrophobicContact CD1-CE2 3.99Å; L280-F287 HydrophobicContact CD1-CZ 3.48Å; L280-F287 VanDerWaalsContact CD1-CZ 3.48Å; R282-F287 HydrophobicContact CB-CE2 4.32Å; V285-F287 HydrophobicContact CG2-CE2 3.83Å; V285-F287 HydrophobicContact CG2-CZ 3.9Å; F287-P289 CarbonylContact C-O 3.57Å; F287-P289 CarbonylContact O-C 3.41Å; F287-S290 WeakPolarHBondContact O-CA 3.23Å; F287-S290 PolarHBondContact O-N 2.76Å; F287-V325 HydrophobicContact CD1-CG2 3.83Å; F287-V325 HydrophobicContact CE1-CG2 4.46Å; F287-L326 CarbonylContact C-O 3.58Å; F287-L327 HydrophobicContact CD1-CD1 3.76Å; F287-L327 HydrophobicContact CE1-CD1 3.44Å; F287-L327 VanDerWaalsContact CE1-CD1 3.44Å; F287-L327 HydrophobicContact CZ-CD1 3.99Å; F287-V344 HydrophobicContact CD1-CG1 4.38Å; F287-V344 HydrophobicContact CE1-CG1 3.88Å
288W95.8Very high94.6Very high181 Ų18170.3 Ų70.369%0.68635%0.351SS*.EExtended strand (participates in β ladder)trans-128.5122169.4-179.8-92.1000110.3L326W288-L326 HydrophobicContact CB-CB 4.21Å; W288-L326 HydrophobicContact CB-CD2 4.45Å; W288-L326 PolarHBondContact N-O 3.14Å; W288-L326 PolarHBondContact O-N 2.87Å
289P97.3Very high94.3Very high55 Ų5565.7 Ų65.736%0.35734%0.339SS..SBendcis-61.2157.3-7.130.5-37.7000111.9L276 F287 C291 L292L276-P289 WeakPolarHBondContact CD1-O 3.16Å; F287-P289 CarbonylContact C-O 3.57Å; F287-P289 CarbonylContact O-C 3.41Å; P289-C291 VanDerWaalsContact C-N 3.33Å; P289-L292 HydrophobicContact CG-CD2 3.58Å
290S95.9Very high93.9Very high70 Ų7066.7 Ų66.749%0.4935%0.347SS..SBendtrans-76.1-23.6-17957.80000113.5L276 F287L276-S290 PolarHBondContact N-O 2.84Å; F287-S290 WeakPolarHBondContact O-CA 3.23Å; F287-S290 PolarHBondContact O-N 2.76Å
291C97Very high93.3Very high59 Ų5964.5 Ų64.540%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-132.5148.9-177.8-52.20000109.9V274 P289V274-C291 CarbonylContact O-C 3.49Å; V274-C291 WeakPolarHBondContact O-CA 3.45Å; V274-C291 VanDerWaalsContact O-CB 3.32Å; V274-C291 WeakPolarHBondContact O-CB 3.23Å; P289-C291 VanDerWaalsContact C-N 3.33Å
292L97.3Very high92.1Very high29 Ų2958.6 Ų58.615%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-127.5160.4175.7-69.5-178.4000111.2S273 V274 L276 P289 H323 V325 V344 L346S273-L292 WeakPolarHBondContact CA-O 3.44Å; V274-L292 PolarHBondContact N-O 3.4Å; V274-L292 PolarHBondContact O-N 3.47Å; L276-L292 HydrophobicContact CD1-CD1 4.3Å; L276-L292 HydrophobicContact CD1-CG 4.24Å; L276-L292 HydrophobicContact CD2-CD1 4.05Å; L276-L292 HydrophobicContact CD2-CG 4.3Å; L276-L292 HydrophobicContact CG-CG 4.45Å; P289-L292 HydrophobicContact CG-CD2 3.58Å; L292-H323 HydrophobicContact CD1-CB 3.4Å; L292-H323 VanDerWaalsContact CD1-CB 3.4Å; L292-V325 HydrophobicContact CD1-CG1 4.01Å; L292-V344 HydrophobicContact CD1-CG2 4.33Å; L292-L346 HydrophobicContact CB-CD1 4.11Å; L292-L346 HydrophobicContact CD1-CD1 3.92Å
293L97.1Very high91Very high113 Ų11359.1 Ų59.159%0.59234%0.338SS*.EExtended strand (participates in β ladder)trans-86.1125.3170.8-69175.9000110Y272Y272-L293 WeakPolarHBondContact O-CA 3.39Å
294V97.3Very high89.9Confident3 Ų355.8 Ų55.82%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-126.6154.3174-56.20000111Y272 V274 R296 L346 H348Y272-V294 PolarHBondContact N-O 2.82Å; Y272-V294 PolarHBondContact O-N 2.73Å; V274-V294 HydrophobicContact CB-CG2 4.24Å; V274-V294 HydrophobicContact CG1-CG2 3.56Å; V274-V294 HydrophobicContact CG2-CB 4.3Å; V274-V294 HydrophobicContact CG2-CG1 3.65Å; V274-V294 HydrophobicContact CG2-CG2 3.62Å; V294-R296 HydrophobicContact CG2-CG 4.05Å; V294-L346 HydrophobicContact CG1-CB 4Å; V294-L346 HydrophobicContact CG1-CD1 3.6Å; V294-L346 HydrophobicContact CG1-CG 4.43Å; V294-H348 VanDerWaalsContact CA-CE1 3.49Å; V294-H348 WeakPolarHBondContact CA-CE1 3.32Å; V294-H348 WeakPolarHBondContact CG1-NE2 3.1Å
295K96.9Very high88.5Confident68 Ų6855.2 Ų55.230%0.29632%0.321SS..EExtended strand (participates in β ladder)trans-78.2124.3168.7-72.3-62.9-160.3177.60110.4P269 R270 N271 H348 H349P269-K295 HydrophobicContact CB-CD 4.21Å; P269-K295 PolarHBondContact O-NZ 2.85Å; R270-K295 WeakPolarHBondContact O-CA 3.43Å; N271-K295 WeakPolarHBondContact OD1-CD 3.37Å; N271-K295 VanDerWaalsContact OD1-CE 3.3Å; N271-K295 WeakPolarHBondContact OD1-CE 3.49Å; N271-K295 PolarHBondContact OD1-NZ 3.13Å; K295-H348 HydrophobicContact CB-CB 4.19Å; K295-H348 PolarHBondContact N-ND1 2.88Å; K295-H348 WeakPolarHBondContact O-CA 3.49Å; K295-H349 VanDerWaalsContact CB-O 3.23Å; K295-H349 WeakPolarHBondContact CB-O 3.43Å; K295-H349 PolarHBondContact O-N 2.81Å
296R96.4Very high86.9Confident44 Ų4460.8 Ų60.817%0.16635%0.346CS..EExtended strand (participates in β ladder)trans-127.8154.4165.8-56.5-65-166.5176.62109.1R270 Y272 E279 V294 E347 H349R270-R296 PolarHBondContact N-O 3.2Å; R270-R296 PolarHBondContact O-N 3.2Å; Y272-R296 HydrophobicContact CD2-CB 3.63Å; Y272-R296 HydrophobicContact CD2-CG 4.18Å; Y272-R296 HydrophobicContact CE2-CB 4.03Å; Y272-R296 HydrophobicContact CG-CB 4.12Å; Y272-R296 HydrophobicContact CG-CG 4.19Å; E279-R296 IonicContact OE1-CZ 3.79Å; E279-R296 IonicContact OE1-NH2 3.8Å; E279-R296 PolarHBondContact OE1-NH2 3.16Å; E279-R296 IonicContact OE2-NH2 3.65Å; E279-R296 PolarHBondContact OE2-NH2 3.28Å; V294-R296 HydrophobicContact CG2-CG 4.05Å; R296-E347 PolarHBondContact NH1-O 3.26Å; R296-H349 WeakPolarHBondContact CD-NE2 3.38Å; R296-H349 PolarHBondContact NH1-NE2 2.97Å; R296-H349 VanDerWaalsContact NH1-NE2 3.15Å
297C95.4Very high85.3Confident19 Ų1964.1 Ų64.113%0.12835%0.353CS..EExtended strand (participates in β ladder)trans-71.1136.6173.9-62.30000110.4P315 H349 C352C297-P315 WeakPolarHBondContact SG-CA 3.45Å; C297-H349 PolarHBondContact N-ND1 2.93Å; C297-H349 VanDerWaalsContact N-ND1 3.14Å; C297-H349 PolarHBondContact SG-ND1 3.45Å; C297-H349 VanDerWaalsContact SG-ND1 3.36Å; C297-C352 WeakPolarHBondContact CA-SG 3.48Å; C297-C352 HydrophobicContact CB-CB 3.77Å; C297-C352 WeakPolarHBondContact CB-SG 3.37Å; C297-C352 WeakPolarHBondContact SG-CB 3.42Å; C297-C352 CovalentContact SG-SG 2.03Å; C297-C352 PolarHBondContact SG-SG 2.81Å
298G91.9Very high83.9Confident7 Ų765.6 Ų65.67%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-164.7162.9176.700000112T268 R270T268-G298 PolarHBondContact N-O 3.42Å; T268-G298 PolarHBondContact O-N 3.25Å; R270-G298 PolarHBondContact NE-O 3.43Å; R270-G298 PolarHBondContact NH2-O 3.4Å
299G88.5Confident82.6Confident38 Ų3861.7 Ų61.739%0.39237%0.37SS..SBendtrans120.9-176.3-165.900000110.7R270R270-G299 VanDerWaalsContact NH2-CA 3.33Å
300N85.8Confident81.8Confident91 Ų9163.2 Ų63.249%0.48738%0.376SS..BIsolated β-bridgetrans-106.2171.817360.8-6.2000111.1Y265 S266 C267Y265-N300 PolarHBondContact O-OD1 3.47Å; S266-N300 CarbonylContact C-O 3.59Å; S266-N300 WeakPolarHBondContact CA-O 3.09Å; C267-N300 PolarHBondContact N-O 2.78Å
301C82.7Confident81.3Confident9 Ų960.8 Ų60.86%0.06136%0.358CS..  trans-111.446.4178.9-70.90000111.3C303 C308 C311 C354C301-C303 VanDerWaalsContact C-N 3.25Å; C301-C303 PolarHBondContact O-N 3.24Å; C301-C308 WeakPolarHBondContact O-CB 2.8Å; C301-C311 HydrophobicContact CB-CB 3.64Å; C301-C354 WeakPolarHBondContact CA-SG 3.37Å; C301-C354 HydrophobicContact CB-CB 3.69Å; C301-C354 WeakPolarHBondContact CB-SG 3.47Å; C301-C354 WeakPolarHBondContact SG-CB 3.42Å; C301-C354 CovalentContact SG-SG 2.03Å; C301-C354 PolarHBondContact SG-SG 3.01Å
302A68.5Low80.9Confident58 Ų5864.6 Ų64.648%0.47937%0.37SS..  trans-72.9-9.5-16800000115.5
303C66.8Low80.6Confident101 Ų10164.3 Ų64.368%0.68237%0.37SS*.SBendtrans-119.165.1-178.9-61.50000110.5V262 C301V262-C303 WeakPolarHBondContact CG1-SG 3.39Å; C301-C303 VanDerWaalsContact C-N 3.25Å; C301-C303 PolarHBondContact O-N 3.24Å
304C65.9Low80.5Confident35 Ų3560.7 Ų60.724%0.23635%0.353CS..  trans-116.9156.7172.787.20000109.2H306 C308C304-H306 VanDerWaalsContact SG-C 3.59Å; C304-H306 PolarHBondContact SG-O 2.72Å; C304-C308 VanDerWaalsContact CA-SG 3.58Å; C304-C308 HydrophobicContact CB-CB 4.27Å; C304-C308 WeakPolarHBondContact CB-SG 3.37Å; C304-C308 PolarHBondContact N-SG 2.93Å; C304-C308 VanDerWaalsContact N-SG 3.4Å; C304-C308 PolarHBondContact O-SG 3.08Å; C304-C308 WeakPolarHBondContact SG-CA 3.39Å; C304-C308 WeakPolarHBondContact SG-CB 3Å; C304-C308 PolarHBondContact SG-N 2.83Å; C304-C308 CovalentContact SG-SG 2.04Å; C304-C308 PolarHBondContact SG-SG 2.88Å
305S59.8Low80.4Confident68 Ų6863.1 Ų63.148%0.47637%0.369SS..SBendtrans-66.9-45-178.9-31.70000111.8E201E201-S305 WeakPolarHBondContact OE1-CB 3.37Å
306H57.5Low80.3Confident118 Ų11864.2 Ų64.255%0.54638%0.382SS..SBendtrans-137140.8-174.6-80.55.8000113.2E201 C304 C308E201-H306 IonicContact OE1-CE1 3.34Å; E201-H306 PolarHBondContact OE1-CE1 2.82Å; E201-H306 IonicContact OE1-ND1 3.91Å; E201-H306 PolarHBondContact OE1-ND1 3.45Å; E201-H306 IonicContact OE1-NE2 2.63Å; E201-H306 IonicContact OE2-CE1 3.57Å; E201-H306 PolarHBondContact OE2-CE1 2.96Å; C304-H306 VanDerWaalsContact SG-C 3.59Å; C304-H306 PolarHBondContact SG-O 2.72Å; H306-C308 PolarHBondContact O-N 2.94Å
307R61.7Low80.3Confident165 Ų16567.7 Ų67.762%0.62340%0.395SS*.  trans51.349.5170.7-63.9-175.5-179.1167.4-2.3116.4A309 D310 D358R307-A309 PolarHBondContact O-N 2.8Å; R307-D310 PolarHBondContact O-N 2.84Å; R307-D358 VanDerWaalsContact CD-OD2 3.25Å; R307-D358 WeakPolarHBondContact CD-OD2 3.36Å; R307-D358 IonicContact CZ-OD2 2.59Å; R307-D358 IonicContact NE-OD2 3.48Å; R307-D358 IonicContact NH1-OD1 3.26Å; R307-D358 PolarHBondContact NH1-OD1 3.28Å; R307-D358 IonicContact NH1-OD2 2.87Å; R307-D358 PolarHBondContact NH1-OD2 2.81Å
308C66.5Low80.4Confident46 Ų4670 Ų7031%0.31141%0.408SS..THydrogen-bonded Turntrans-60-6-178.2-50.70000117C301 C304 H306C301-C308 WeakPolarHBondContact O-CB 2.8Å; C304-C308 VanDerWaalsContact CA-SG 3.58Å; C304-C308 HydrophobicContact CB-CB 4.27Å; C304-C308 WeakPolarHBondContact CB-SG 3.37Å; C304-C308 PolarHBondContact N-SG 2.93Å; C304-C308 VanDerWaalsContact N-SG 3.4Å; C304-C308 PolarHBondContact O-SG 3.08Å; C304-C308 WeakPolarHBondContact SG-CA 3.39Å; C304-C308 WeakPolarHBondContact SG-CB 3Å; C304-C308 PolarHBondContact SG-N 2.83Å; C304-C308 CovalentContact SG-SG 2.04Å; C304-C308 PolarHBondContact SG-SG 2.88Å; H306-C308 PolarHBondContact O-N 2.94Å
309A69.1Low80.6Confident99 Ų9971.9 Ų71.982%0.81842%0.418SS*.THydrogen-bonded Turntrans-74.2-27.3170.600000113.2R307R307-A309 PolarHBondContact O-N 2.8Å
310D80Confident81.1Confident88 Ų8876.4 Ų76.447%0.47143%0.427SS..SBendtrans-97.14-177.4-69.2-74.2000113.1R307R307-D310 PolarHBondContact O-N 2.84Å
311C84.6Confident81.6Confident18 Ų1875.6 Ų75.612%0.12242%0.419CS..  trans-92.3130.5-178.9-52.70000112.6C301 V355 C356C301-C311 HydrophobicContact CB-CB 3.64Å; C311-V355 CarbonylContact C-O 3.58Å; C311-V355 WeakPolarHBondContact CA-O 3.23Å; C311-C356 HydrophobicContact CB-CB 4.06Å; C311-C356 WeakPolarHBondContact CB-SG 3.3Å; C311-C356 WeakPolarHBondContact SG-CB 3.42Å; C311-C356 CovalentContact SG-SG 2.03Å; C311-C356 PolarHBondContact SG-SG 2.63Å
312Q89.5Confident82.2Confident139 Ų13983.1 Ų83.165%0.6545%0.447SS*.EExtended strand (participates in β ladder)trans-108.3135.1178.2-171.5173.9-9.800111.7V314 V355Q312-V314 HydrophobicContact CB-CG1 4.24Å; Q312-V314 HydrophobicContact CG-CG1 3.92Å; Q312-V314 PolarHBondContact O-N 3.24Å; Q312-V355 PolarHBondContact N-O 3.38Å; Q312-V355 PolarHBondContact O-N 3.44Å
313C91.6Very high83.6Confident23 Ų2382.5 Ų82.516%0.15544%0.435CS..EExtended strand (participates in β ladder)trans-74.2114.3169.7179.40000110.3C267C267-C313 WeakPolarHBondContact CA-SG 3.34Å; C267-C313 HydrophobicContact CB-CB 3.65Å; C267-C313 WeakPolarHBondContact CB-SG 3.34Å; C267-C313 WeakPolarHBondContact SG-CA 3.28Å; C267-C313 WeakPolarHBondContact SG-CB 3.3Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.34Å
314V93.6Very high85.1Confident38 Ų3884 Ų8423%0.2343%0.431CS..EExtended strand (participates in β ladder)trans-131.1153.4-173.2-64.60000111.8Q312 C352 S353 V355Q312-V314 HydrophobicContact CB-CG1 4.24Å; Q312-V314 HydrophobicContact CG-CG1 3.92Å; Q312-V314 PolarHBondContact O-N 3.24Å; V314-C352 CarbonylContact O-C 3.54Å; V314-C352 VanDerWaalsContact O-CA 3.29Å; V314-C352 WeakPolarHBondContact O-CA 3.32Å; V314-S353 PolarHBondContact N-O 3.38Å; V314-S353 PolarHBondContact O-N 3.41Å; V314-V355 HydrophobicContact CG2-CB 3.94Å; V314-V355 HydrophobicContact CG2-CG2 3.47Å; V314-V355 VanDerWaalsContact CG2-CG2 3.47Å
315P96.1Very high86.5Confident54 Ų5482.4 Ų82.435%0.35142%0.421SS..EExtended strand (participates in β ladder)trans-72.7131.8175.428.1-32.9000112.5C297 V318 H349 E351C297-P315 WeakPolarHBondContact SG-CA 3.45Å; P315-V318 HydrophobicContact CB-CG2 3.62Å; P315-V318 HydrophobicContact CG-CG2 3.94Å; P315-H349 HydrophobicContact CB-CB 4.06Å; P315-E351 WeakPolarHBondContact CA-O 3.43Å
316T94.6Very high88.3Confident91 Ų9181.5 Ų81.556%0.55841%0.41SS*.EExtended strand (participates in β ladder)trans-92.3-31.916749.70000111.5E351T316-E351 PolarHBondContact N-O 2.94Å; T316-E351 VanDerWaalsContact OG1-C 3.27Å; T316-E351 VanDerWaalsContact OG1-CB 3.23Å; T316-E351 WeakPolarHBondContact OG1-CB 3.3Å; T316-E351 PolarHBondContact OG1-O 2.81Å
317R96.5Very high90.1Very high117 Ų11777 Ų7744%0.44239%0.39SS..EExtended strand (participates in β ladder)trans-129.7127.3172.8-169170.370.3-138-7.6111.8H349 E350 E351R317-H349 CarbonylContact O-C 3.55Å; R317-E350 HydrophobicContact CB-CB 4.49Å; R317-E350 HydrophobicContact CG-CB 4.47Å; R317-E350 PolarHBondContact O-N 2.83Å; R317-E351 HydrophobicContact CB-CB 3.94Å; R317-E351 HydrophobicContact CB-CG 4.37Å; R317-E351 WeakPolarHBondContact CB-OE2 3.44Å; R317-E351 IonicContact CZ-OE1 3.54Å; R317-E351 IonicContact CZ-OE2 3.01Å; R317-E351 PolarHBondContact N-O 3.42Å; R317-E351 IonicContact NE-OE2 2.81Å; R317-E351 IonicContact NH1-OE1 2.7Å; R317-E351 PolarHBondContact NH1-OE1 3.39Å; R317-E351 IonicContact NH1-OE2 2.69Å; R317-E351 PolarHBondContact NH1-OE2 3.05Å; R317-E351 IonicContact NH2-OE1 2.88Å; R317-E351 PolarHBondContact NH2-OE1 3.29Å; R317-E351 IonicContact NH2-OE2 2.76Å; R317-E351 PolarHBondContact O-N 2.95Å
318V97.5Very high91.6Very high67 Ų6770.5 Ų70.541%0.40637%0.367SS..EExtended strand (participates in β ladder)trans-120.1137.1174.3-176.80000109.6P315 E347 H348P315-V318 HydrophobicContact CB-CG2 3.62Å; P315-V318 HydrophobicContact CG-CG2 3.94Å; V318-E347 HydrophobicContact CG1-CB 3.86Å; V318-E347 HydrophobicContact CG1-CG 4.17Å; V318-H348 CarbonylContact C-O 3.41Å; V318-H348 WeakPolarHBondContact CA-O 3.07Å
319T97.1Very high92.8Very high46 Ų4673 Ų7328%0.28237%0.371SS..EExtended strand (participates in β ladder)trans-122.4157173.4650000111.1K321 E347 H348 E350T319-K321 WeakPolarHBondContact OG1-CE 3.46Å; T319-E347 WeakPolarHBondContact O-CA 3.42Å; T319-H348 PolarHBondContact N-O 3.03Å; T319-H348 PolarHBondContact O-N 3Å; T319-E350 HydrophobicContact CG2-CG 3.52Å; T319-E350 PolarHBondContact OG1-OE1 3.07Å; T319-E350 VanDerWaalsContact OG1-OE1 3.13Å
320K97.1Very high93.5Very high133 Ų13374.1 Ų74.158%0.57836%0.359SS*.EExtended strand (participates in β ladder)trans-102.9119.1173.5-72.8-179.2178.9-170.40109.3L346 E347K320-L346 WeakPolarHBondContact CA-O 3.42Å; K320-E347 HydrophobicContact CD-CG 4.38Å; K320-E347 VanDerWaalsContact CE-CG 3.48Å; K320-E347 WeakPolarHBondContact CE-OE1 3.49Å; K320-E347 HydrophobicContact CG-CG 3.9Å; K320-E347 IonicContact NZ-OE1 2.72Å; K320-E347 PolarHBondContact NZ-OE1 2.89Å
321K96.6Very high93.5Very high75 Ų7578.2 Ų78.233%0.32637%0.367SS..EExtended strand (participates in β ladder)trans-114134.6179-65.7178.2179.7162.60108.6T319 H323 L346 H348 E350T319-K321 WeakPolarHBondContact OG1-CE 3.46Å; K321-H323 PolarHBondContact O-CD2 3.41Å; K321-H323 VanDerWaalsContact O-CD2 3.28Å; K321-L346 PolarHBondContact N-O 2.92Å; K321-L346 PolarHBondContact O-N 3.03Å; K321-H348 HydrophobicContact CD-CB 4.05Å; K321-E350 WeakPolarHBondContact CE-OE1 3.47Å; K321-E350 IonicContact NZ-OE1 2.63Å; K321-E350 PolarHBondContact NZ-OE1 3.05Å; K321-E350 IonicContact NZ-OE2 2.8Å; K321-E350 PolarHBondContact NZ-OE2 2.88Å
322Y96.7Very high92.7Very high166 Ų16680.9 Ų80.965%0.65140%0.398SS*.EExtended strand (participates in β ladder)trans-90.3140178.7-65.6-90.1000109.8D343 V344 A345Y322-D343 HydrophobicContact CD1-CB 4.1Å; Y322-V344 WeakPolarHBondContact CA-O 3.25Å; Y322-A345 HydrophobicContact CD1-CB 3.96Å; Y322-A345 HydrophobicContact CE1-CB 3.72Å
323H96.9Very high91.7Very high46 Ų4678.6 Ų78.621%0.21341%0.412CS..EExtended strand (participates in β ladder)trans-130.4123.5179-60.7-105.4000108.8L292 K321 V325 D343 V344 H348L292-H323 HydrophobicContact CD1-CB 3.4Å; L292-H323 VanDerWaalsContact CD1-CB 3.4Å; K321-H323 PolarHBondContact O-CD2 3.41Å; K321-H323 VanDerWaalsContact O-CD2 3.28Å; H323-V325 PolarHBondContact O-N 3.11Å; H323-D343 CarbonylContact O-C 3.59Å; H323-D343 WeakPolarHBondContact O-CA 3.35Å; H323-V344 HydrophobicContact CB-CG2 4.18Å; H323-V344 PolarHBondContact N-O 2.72Å; H323-V344 WeakPolarHBondContact O-CG2 3.48Å; H323-V344 PolarHBondContact O-N 2.6Å; H323-H348 AromaticContact CE1-CE1 3.97Å; H323-H348 AromaticContact CE1-NE2 3.71Å; H323-H348 AromaticContact NE2-CE1 3.86Å; H323-H348 AromaticContact NE2-NE2 3.19Å; H323-H348 PolarHBondContact NE2-NE2 3.49Å; H323-H348 VanDerWaalsContact NE2-NE2 3.19Å
324E97.4Very high90.4Very high131 Ų13179 Ų7961%0.61242%0.419SS*.EExtended strand (participates in β ladder)trans-72.6127.1176.1-162.9-163.3-160.800109.9M341E324-M341 VanDerWaalsContact CD-CE 3.49Å; E324-M341 HydrophobicContact CG-CB 4.32Å; E324-M341 HydrophobicContact CG-CE 3.79Å; E324-M341 WeakPolarHBondContact OE1-CB 3.36Å
325V97.3Very high89.2Confident2 Ų289.3 Ų89.31%0.01245%0.454CS..EExtended strand (participates in β ladder)trans-137.7152.1179.7-630000111.8L276 F287 L292 H323 L327 M341 T342 V344L276-V325 HydrophobicContact CD1-CG1 3.95Å; F287-V325 HydrophobicContact CD1-CG2 3.83Å; F287-V325 HydrophobicContact CE1-CG2 4.46Å; L292-V325 HydrophobicContact CD1-CG1 4.01Å; H323-V325 PolarHBondContact O-N 3.11Å; V325-L327 PolarHBondContact O-N 3.18Å; V325-M341 WeakPolarHBondContact O-CA 3.45Å; V325-T342 HydrophobicContact CG2-CG2 3.92Å; V325-T342 WeakPolarHBondContact CG2-O 3.31Å; V325-T342 PolarHBondContact N-O 2.79Å; V325-T342 PolarHBondContact O-N 3.26Å; V325-V344 HydrophobicContact CG1-CG2 4.02Å; V325-V344 HydrophobicContact CG2-CB 4.4Å; V325-V344 HydrophobicContact CG2-CG1 3.67Å; V325-V344 HydrophobicContact CG2-CG2 3.86Å
326L97.1Very high88.3Confident49 Ų4990 Ų9026%0.25746%0.461SS..EExtended strand (participates in β ladder)trans-82.1113173.9175.262.8000109.9F287 W288 L328 K339 M341F287-L326 CarbonylContact C-O 3.58Å; W288-L326 HydrophobicContact CB-CB 4.21Å; W288-L326 HydrophobicContact CB-CD2 4.45Å; W288-L326 PolarHBondContact N-O 3.14Å; W288-L326 PolarHBondContact O-N 2.87Å; L326-L328 HydrophobicContact CD1-CD2 4.29Å; L326-L328 HydrophobicContact CD2-CD2 4.2Å; L326-L328 HydrophobicContact CG-CD2 4.05Å; L326-L328 HydrophobicContact CG-CG 4.36Å; L326-K339 HydrophobicContact CD1-CB 4.29Å; L326-M341 HydrophobicContact CB-SD 4.05Å; L326-M341 HydrophobicContact CD1-SD 3.95Å
327L95.5Very high87.9Confident23 Ų2389.5 Ų89.512%0.1245%0.454CS..EExtended strand (participates in β ladder)trans-86.7130.2172.3-169.574.4000110.6V285 F287 V325 K339 S340 T342V285-L327 HydrophobicContact CB-CD1 3.73Å; V285-L327 HydrophobicContact CG1-CD1 4.01Å; V285-L327 HydrophobicContact CG1-CG 4.41Å; V285-L327 HydrophobicContact CG2-CD1 3.95Å; F287-L327 HydrophobicContact CD1-CD1 3.76Å; F287-L327 HydrophobicContact CE1-CD1 3.44Å; F287-L327 VanDerWaalsContact CE1-CD1 3.44Å; F287-L327 HydrophobicContact CZ-CD1 3.99Å; V325-L327 PolarHBondContact O-N 3.18Å; L327-K339 WeakPolarHBondContact O-CA 3.48Å; L327-S340 WeakPolarHBondContact CB-O 3.46Å; L327-S340 PolarHBondContact N-O 3.28Å; L327-S340 PolarHBondContact O-N 3.39Å; L327-T342 HydrophobicContact CB-CG2 3.89Å
328L93.3Very high87.6Confident29 Ų2989.2 Ų89.215%0.15246%0.457CS..EExtended strand (participates in β ladder)trans-119.6125.7172.9-54.3173000109.6I286 L326 Q338 K339I286-L328 HydrophobicContact CB-CB 4.23Å; I286-L328 HydrophobicContact CG2-CD1 4.5Å; I286-L328 PolarHBondContact N-O 2.9Å; I286-L328 PolarHBondContact O-N 3.21Å; L326-L328 HydrophobicContact CD1-CD2 4.29Å; L326-L328 HydrophobicContact CD2-CD2 4.2Å; L326-L328 HydrophobicContact CG-CD2 4.05Å; L326-L328 HydrophobicContact CG-CG 4.36Å; L328-Q338 WeakPolarHBondContact CA-O 3.5Å; L328-K339 HydrophobicContact CD2-CB 4Å; L328-K339 HydrophobicContact CD2-CD 4.1Å; L328-K339 HydrophobicContact CD2-CG 3.66Å
329R90.8Very high87.4Confident100 Ų10093.2 Ų93.238%0.37747%0.47SS..EExtended strand (participates in β ladder)trans-127.7137.4178.8-175.8-179.2-80.3151.5-5.1110.4V285 R331 L337 Q338V285-R329 HydrophobicContact CG1-CB 4.13Å; V285-R329 HydrophobicContact CG1-CG 4.22Å; R329-R331 PolarHBondContact O-N 2.9Å; R329-L337 CarbonylContact O-C 3.53Å; R329-L337 WeakPolarHBondContact O-CA 3.38Å; R329-Q338 PolarHBondContact N-O 2.99Å; R329-Q338 PolarHBondContact O-N 2.95Å
330H84.8Confident87.3Confident122 Ų12293.2 Ų93.257%0.56547%0.471SS*.EExtended strand (participates in β ladder)trans-71.1126.9174.7-161.5-66.8000110.6G334 L337H330-G334 PolarHBondContact CE1-O 3.19Å; H330-L337 HydrophobicContact CB-CD2 4.4Å
331R78.6Confident87.3Confident173 Ų17391.9 Ų91.965%0.65347%0.469SS*.PPolyproline II helixtrans-78.2133172.6-172.7173.2178.5168.5-0109.4R329 G333 S336R329-R331 PolarHBondContact O-N 2.9Å; R331-G333 PolarHBondContact O-N 2.9Å; R331-S336 PolarHBondContact N-O 2.87Å
332G67.5Low87.2Confident74 Ų7490.9 Ų90.976%0.76347%0.469SS*.THydrogen-bonded Turntrans-57.4127.8175.500000111.2
333G69.1Low87.2Confident92 Ų9287.7 Ų87.795%0.94846%0.463SS*.THydrogen-bonded Turntrans84.98.7173.200000117.8R331R331-G333 PolarHBondContact O-N 2.9Å
334G65.5Low87.2Confident30 Ų3086 Ų8631%0.30946%0.455SS..SBendtrans-153.4156.9178.200000115H330 S336H330-G334 PolarHBondContact CE1-O 3.19Å; G334-S336 PolarHBondContact O-N 3.19Å
335R67.6Low87.2Confident256 Ų25681.7 Ų81.797%0.96644%0.443SS*.SBendtrans-69.99.9-179.4-64.7-173.8178.7-175.10.1114.8
336S78Confident87.2Confident69 Ų6981.9 Ų81.948%0.48344%0.444SS..  trans-105.6127.9-173.348.60000112.5R331 G334R331-S336 PolarHBondContact N-O 2.87Å; G334-S336 PolarHBondContact O-N 3.19Å
337L85.4Confident87.1Confident79 Ų7983.4 Ų83.441%0.41445%0.45SS..EExtended strand (participates in β ladder)trans-79.3126.6170-66.2170.3000109.6R329 H330R329-L337 CarbonylContact O-C 3.53Å; R329-L337 WeakPolarHBondContact O-CA 3.38Å; H330-L337 HydrophobicContact CB-CD2 4.4Å
338Q90.1Very high87.2Confident111 Ų11183 Ų8352%0.51945%0.447SS..EExtended strand (participates in β ladder)trans-67.3138160.6-179.1177.32.200108.4L328 R329L328-Q338 WeakPolarHBondContact CA-O 3.5Å; R329-Q338 PolarHBondContact N-O 2.99Å; R329-Q338 PolarHBondContact O-N 2.95Å
339K93.6Very high87.4Confident152 Ų15282.9 Ų82.966%0.66145%0.446SS*.EExtended strand (participates in β ladder)trans-125.4137.9-178.1-44.8-171.4-175177.50109.5L326 L327 L328L326-K339 HydrophobicContact CD1-CB 4.29Å; L327-K339 WeakPolarHBondContact O-CA 3.48Å; L328-K339 HydrophobicContact CD2-CB 4Å; L328-K339 HydrophobicContact CD2-CD 4.1Å; L328-K339 HydrophobicContact CD2-CG 3.66Å
340S94.9Very high87.6Confident46 Ų4680.9 Ų80.932%0.32244%0.44SS..EExtended strand (participates in β ladder)trans-157.6140.6174.551.40000110.2L327L327-S340 WeakPolarHBondContact CB-O 3.46Å; L327-S340 PolarHBondContact N-O 3.28Å; L327-S340 PolarHBondContact O-N 3.39Å
341M96.8Very high88Confident105 Ų10579 Ų7952%0.51743%0.432SS..EExtended strand (participates in β ladder)trans-69.7147.3163.1-55.6-52.8-70.200109.1E324 V325 L326E324-M341 VanDerWaalsContact CD-CE 3.49Å; E324-M341 HydrophobicContact CG-CB 4.32Å; E324-M341 HydrophobicContact CG-CE 3.79Å; E324-M341 WeakPolarHBondContact OE1-CB 3.36Å; V325-M341 WeakPolarHBondContact O-CA 3.45Å; L326-M341 HydrophobicContact CB-SD 4.05Å; L326-M341 HydrophobicContact CD1-SD 3.95Å
342T95.4Very high88.7Confident54 Ų5471.9 Ų71.933%0.33141%0.408SS..EExtended strand (participates in β ladder)trans-152.4144.3174.1-173.30000109V325 L327 V344V325-T342 HydrophobicContact CG2-CG2 3.92Å; V325-T342 WeakPolarHBondContact CG2-O 3.31Å; V325-T342 PolarHBondContact N-O 2.79Å; V325-T342 PolarHBondContact O-N 3.26Å; L327-T342 HydrophobicContact CB-CG2 3.89Å; T342-V344 HydrophobicContact CG2-CG1 4.39Å
343D96.8Very high89.7Confident98 Ų9871 Ų7152%0.52439%0.39SS..EExtended strand (participates in β ladder)trans-74.7141.2164.2-64.6-57.9000110.1Y322 H323Y322-D343 HydrophobicContact CD1-CB 4.1Å; H323-D343 CarbonylContact O-C 3.59Å; H323-D343 WeakPolarHBondContact O-CA 3.35Å
344V96.1Very high90.6Very high10 Ų1068.6 Ų68.66%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-118.4127.1166.3-670000109.7L276 L280 F287 L292 Y322 H323 V325 T342L276-V344 HydrophobicContact CD2-CG2 3.95Å; L280-V344 HydrophobicContact CD1-CB 3.95Å; L280-V344 HydrophobicContact CD1-CG1 3.58Å; F287-V344 HydrophobicContact CD1-CG1 4.38Å; F287-V344 HydrophobicContact CE1-CG1 3.88Å; L292-V344 HydrophobicContact CD1-CG2 4.33Å; Y322-V344 WeakPolarHBondContact CA-O 3.25Å; H323-V344 HydrophobicContact CB-CG2 4.18Å; H323-V344 PolarHBondContact N-O 2.72Å; H323-V344 WeakPolarHBondContact O-CG2 3.48Å; H323-V344 PolarHBondContact O-N 2.6Å; V325-V344 HydrophobicContact CG1-CG2 4.02Å; V325-V344 HydrophobicContact CG2-CB 4.4Å; V325-V344 HydrophobicContact CG2-CG1 3.67Å; V325-V344 HydrophobicContact CG2-CG2 3.86Å; T342-V344 HydrophobicContact CG2-CG1 4.39Å
345A96.6Very high91.6Very high42 Ų4271.3 Ų71.335%0.34737%0.369SS..EExtended strand (participates in β ladder)trans-82.3122.1175.400000109.8Y322Y322-A345 HydrophobicContact CD1-CB 3.96Å; Y322-A345 HydrophobicContact CE1-CB 3.72Å
346L97.2Very high92.3Very high6 Ų661.2 Ų61.23%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-120.2148.1173.7-63.5179.2000110.6V274 L276 E279 L280 L292 V294 K320 K321V274-L346 HydrophobicContact CG2-CD1 4.41Å; L276-L346 HydrophobicContact CD2-CD1 3.83Å; L276-L346 HydrophobicContact CD2-CD2 4.06Å; L276-L346 HydrophobicContact CD2-CG 4.37Å; E279-L346 HydrophobicContact CB-CD2 3.98Å; E279-L346 HydrophobicContact CG-CD2 4.34Å; L280-L346 HydrophobicContact CD2-CD2 4.38Å; L292-L346 HydrophobicContact CB-CD1 4.11Å; L292-L346 HydrophobicContact CD1-CD1 3.92Å; V294-L346 HydrophobicContact CG1-CB 4Å; V294-L346 HydrophobicContact CG1-CD1 3.6Å; V294-L346 HydrophobicContact CG1-CG 4.43Å; K320-L346 WeakPolarHBondContact CA-O 3.42Å; K321-L346 PolarHBondContact N-O 2.92Å; K321-L346 PolarHBondContact O-N 3.03Å
347E96.6Very high92.2Very high81 Ų8165.4 Ų65.438%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-87.4124.6178.6-74.1174.7-178.600110.8R296 V318 T319 K320R296-E347 PolarHBondContact NH1-O 3.26Å; V318-E347 HydrophobicContact CG1-CB 3.86Å; V318-E347 HydrophobicContact CG1-CG 4.17Å; T319-E347 WeakPolarHBondContact O-CA 3.42Å; K320-E347 HydrophobicContact CD-CG 4.38Å; K320-E347 VanDerWaalsContact CE-CG 3.48Å; K320-E347 WeakPolarHBondContact CE-OE1 3.49Å; K320-E347 HydrophobicContact CG-CG 3.9Å; K320-E347 IonicContact NZ-OE1 2.72Å; K320-E347 PolarHBondContact NZ-OE1 2.89Å
348H97.6Very high91.1Very high14 Ų1466.9 Ų66.97%0.06536%0.355CS..EExtended strand (participates in β ladder)trans-114.9128178.2-75.5-123000108.9V294 K295 V318 T319 K321 H323 E350V294-H348 VanDerWaalsContact CA-CE1 3.49Å; V294-H348 WeakPolarHBondContact CA-CE1 3.32Å; V294-H348 WeakPolarHBondContact CG1-NE2 3.1Å; K295-H348 HydrophobicContact CB-CB 4.19Å; K295-H348 PolarHBondContact N-ND1 2.88Å; K295-H348 WeakPolarHBondContact O-CA 3.49Å; V318-H348 CarbonylContact C-O 3.41Å; V318-H348 WeakPolarHBondContact CA-O 3.07Å; T319-H348 PolarHBondContact N-O 3.03Å; T319-H348 PolarHBondContact O-N 3Å; K321-H348 HydrophobicContact CD-CB 4.05Å; H323-H348 AromaticContact CE1-CE1 3.97Å; H323-H348 AromaticContact CE1-NE2 3.71Å; H323-H348 AromaticContact NE2-CE1 3.86Å; H323-H348 AromaticContact NE2-NE2 3.19Å; H323-H348 PolarHBondContact NE2-NE2 3.49Å; H323-H348 VanDerWaalsContact NE2-NE2 3.19Å; H348-E350 WeakPolarHBondContact CB-OE1 3.44Å; H348-E350 PolarHBondContact O-N 2.87Å
349H97.1Very high89.2Confident27 Ų2768.8 Ų68.813%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-82.4113.5175.6-56.7-166.7000107.1K295 R296 C297 P315 R317K295-H349 VanDerWaalsContact CB-O 3.23Å; K295-H349 WeakPolarHBondContact CB-O 3.43Å; K295-H349 PolarHBondContact O-N 2.81Å; R296-H349 WeakPolarHBondContact CD-NE2 3.38Å; R296-H349 PolarHBondContact NH1-NE2 2.97Å; R296-H349 VanDerWaalsContact NH1-NE2 3.15Å; C297-H349 PolarHBondContact N-ND1 2.93Å; C297-H349 VanDerWaalsContact N-ND1 3.14Å; C297-H349 PolarHBondContact SG-ND1 3.45Å; C297-H349 VanDerWaalsContact SG-ND1 3.36Å; P315-H349 HydrophobicContact CB-CB 4.06Å; R317-H349 CarbonylContact O-C 3.55Å
350E94.9Very high86.9Confident57 Ų5770.5 Ų70.527%0.26638%0.379SS..EExtended strand (participates in β ladder)trans-89-31.8-179.3-57.5-57.1113.600111.9P269 R317 T319 K321 H348P269-E350 VanDerWaalsContact CG-O 3.3Å; P269-E350 WeakPolarHBondContact CG-O 3.44Å; R317-E350 HydrophobicContact CB-CB 4.49Å; R317-E350 HydrophobicContact CG-CB 4.47Å; R317-E350 PolarHBondContact O-N 2.83Å; T319-E350 HydrophobicContact CG2-CG 3.52Å; T319-E350 PolarHBondContact OG1-OE1 3.07Å; T319-E350 VanDerWaalsContact OG1-OE1 3.13Å; K321-E350 WeakPolarHBondContact CE-OE1 3.47Å; K321-E350 IonicContact NZ-OE1 2.63Å; K321-E350 PolarHBondContact NZ-OE1 3.05Å; K321-E350 IonicContact NZ-OE2 2.8Å; K321-E350 PolarHBondContact NZ-OE2 2.88Å; H348-E350 WeakPolarHBondContact CB-OE1 3.44Å; H348-E350 PolarHBondContact O-N 2.87Å
351E93.4Very high84Confident82 Ų8280.1 Ų80.138%0.38343%0.427SS..EExtended strand (participates in β ladder)trans-137147.3179.2-69.6166.3170.200109.4P315 T316 R317P315-E351 WeakPolarHBondContact CA-O 3.43Å; T316-E351 PolarHBondContact N-O 2.94Å; T316-E351 VanDerWaalsContact OG1-C 3.27Å; T316-E351 VanDerWaalsContact OG1-CB 3.23Å; T316-E351 WeakPolarHBondContact OG1-CB 3.3Å; T316-E351 PolarHBondContact OG1-O 2.81Å; R317-E351 HydrophobicContact CB-CB 3.94Å; R317-E351 HydrophobicContact CB-CG 4.37Å; R317-E351 WeakPolarHBondContact CB-OE2 3.44Å; R317-E351 IonicContact CZ-OE1 3.54Å; R317-E351 IonicContact CZ-OE2 3.01Å; R317-E351 PolarHBondContact N-O 3.42Å; R317-E351 IonicContact NE-OE2 2.81Å; R317-E351 IonicContact NH1-OE1 2.7Å; R317-E351 PolarHBondContact NH1-OE1 3.39Å; R317-E351 IonicContact NH1-OE2 2.69Å; R317-E351 PolarHBondContact NH1-OE2 3.05Å; R317-E351 IonicContact NH2-OE1 2.88Å; R317-E351 PolarHBondContact NH2-OE1 3.29Å; R317-E351 IonicContact NH2-OE2 2.76Å; R317-E351 PolarHBondContact O-N 2.95Å
352C92.3Very high83.3Confident24 Ų2478.9 Ų78.916%0.16242%0.423CS..EExtended strand (participates in β ladder)trans-136.5149.2-174.8-56.20000109.5C297 V314C297-C352 WeakPolarHBondContact CA-SG 3.48Å; C297-C352 HydrophobicContact CB-CB 3.77Å; C297-C352 WeakPolarHBondContact CB-SG 3.37Å; C297-C352 WeakPolarHBondContact SG-CB 3.42Å; C297-C352 CovalentContact SG-SG 2.03Å; C297-C352 PolarHBondContact SG-SG 2.81Å; V314-C352 CarbonylContact O-C 3.54Å; V314-C352 VanDerWaalsContact O-CA 3.29Å; V314-C352 WeakPolarHBondContact O-CA 3.32Å
353S88.8Confident82.7Confident55 Ų5580.2 Ų80.239%0.38543%0.428SS..EExtended strand (participates in β ladder)trans-142.7165.2170.1-167.30000110.7C267 V314C267-S353 PolarHBondContact SG-O 3.46Å; C267-S353 VanDerWaalsContact SG-O 3.39Å; V314-S353 PolarHBondContact N-O 3.38Å; V314-S353 PolarHBondContact O-N 3.41Å
354C87.6Confident81.9Confident43 Ų4379.2 Ų79.229%0.29142%0.422SS..EExtended strand (participates in β ladder)trans-89.7123.4170.7-73.50000109.5C267 C301C267-C354 WeakPolarHBondContact CB-SG 3.43Å; C301-C354 WeakPolarHBondContact CA-SG 3.37Å; C301-C354 HydrophobicContact CB-CB 3.69Å; C301-C354 WeakPolarHBondContact CB-SG 3.47Å; C301-C354 WeakPolarHBondContact SG-CB 3.42Å; C301-C354 CovalentContact SG-SG 2.03Å; C301-C354 PolarHBondContact SG-SG 3.01Å
355V86.3Confident81.1Confident87 Ų8783.3 Ų83.353%0.52744%0.444SS..EExtended strand (participates in β ladder)trans-111.9122.8172.7173.30000108.1C311 Q312 V314C311-V355 CarbonylContact C-O 3.58Å; C311-V355 WeakPolarHBondContact CA-O 3.23Å; Q312-V355 PolarHBondContact N-O 3.38Å; Q312-V355 PolarHBondContact O-N 3.44Å; V314-V355 HydrophobicContact CG2-CB 3.94Å; V314-V355 HydrophobicContact CG2-CG2 3.47Å; V314-V355 VanDerWaalsContact CG2-CG2 3.47Å
356C83.9Confident80.1Confident44 Ų4485.9 Ų85.930%0.29745%0.45SS..  trans-100.5155.9-178.2-59.40000110.9C311C311-C356 HydrophobicContact CB-CB 4.06Å; C311-C356 WeakPolarHBondContact CB-SG 3.3Å; C311-C356 WeakPolarHBondContact SG-CB 3.42Å; C311-C356 CovalentContact SG-SG 2.03Å; C311-C356 PolarHBondContact SG-SG 2.63Å
357K73.9Confident79Confident157 Ų15791.2 Ų91.268%0.68348%0.478SS*.SBendtrans-93.789.2168.3-69.9178.9-179.2172.20109.7
358D63.1Low77.7Confident109 Ų10991.9 Ų91.958%0.58349%0.485SS*.  trans-179.676.2154.5-86.1-31000106.7R307R307-D358 VanDerWaalsContact CD-OD2 3.25Å; R307-D358 WeakPolarHBondContact CD-OD2 3.36Å; R307-D358 IonicContact CZ-OD2 2.59Å; R307-D358 IonicContact NE-OD2 3.48Å; R307-D358 IonicContact NH1-OD1 3.26Å; R307-D358 PolarHBondContact NH1-OD1 3.28Å; R307-D358 IonicContact NH1-OD2 2.87Å; R307-D358 PolarHBondContact NH1-OD2 2.81Å
359D51.2Low76.2Confident152 Ų15297.9 Ų97.981%0.81352%0.517SS*.  trans-148.418.2-174-131.9-15.9000111.9
360Q44.2Very low74.5Confident187 Ų187103.8 Ų103.887%0.87455%0.55SS*.  trans-153.591.3174.7-71.6-165.6-11.100111
361D34.1Very low72.6Confident249 Ų249108.1 Ų108.1100%1.33258%0.575SS**  trans-166.30145.3-100.5-23.9000109.6

Retrieved 361 of 361 residues in 278 ms (Link to these results)